smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC1(N(C)C)CCC1 ZINC000186996784 236090131 /nfs/dbraw/zinc/09/01/31/236090131.db2.gz RVMFQOMEVIFOAA-UHFFFAOYSA-N 0 3 333.432 3.076 20 5 EGBDHN O=C(NCc1ccccc1[N+](=O)[O-])c1cccc(CN2CCCC2)c1 ZINC000064026369 201050792 /nfs/dbraw/zinc/05/07/92/201050792.db2.gz YPTSQRODCFJOLQ-UHFFFAOYSA-N 0 3 339.395 3.121 20 5 EGBDHN Nc1ccc([N+](=O)[O-])c(NC[C@@H](c2cccs2)N2CCCC2)c1 ZINC000193375338 240135278 /nfs/dbraw/zinc/13/52/78/240135278.db2.gz DGMNDUMMJFXQAQ-HNNXBMFYSA-N 0 3 332.429 3.488 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCCC[C@@H]3O)cs2)c1 ZINC000077465854 203389197 /nfs/dbraw/zinc/38/91/97/203389197.db2.gz LREXFTVFOYYDOY-CJNGLKHVSA-N 0 3 347.440 3.359 20 5 EGBDHN CCN(CC)[C@@H](CNCc1ccc(OC)c([N+](=O)[O-])c1)c1ccco1 ZINC000106468585 204197403 /nfs/dbraw/zinc/19/74/03/204197403.db2.gz MFKGVENJIOIHOC-INIZCTEOSA-N 0 3 347.415 3.369 20 5 EGBDHN Cc1c(NC(=O)CCN(C)[C@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000127787177 205116974 /nfs/dbraw/zinc/11/69/74/205116974.db2.gz CXOKFKJUUQKLDD-CQSZACIVSA-N 0 3 342.399 3.320 20 5 EGBDHN Cc1c([C@@H](C)NCCNC(=O)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000130919733 205265867 /nfs/dbraw/zinc/26/58/67/205265867.db2.gz ICXYEDYOAWJHHM-CYBMUJFWSA-N 0 3 345.374 3.123 20 5 EGBDHN C[C@H]1[C@H](c2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177560173 207354677 /nfs/dbraw/zinc/35/46/77/207354677.db2.gz JXSIEFNJXPWELX-SUMWQHHRSA-N 0 3 339.395 3.072 20 5 EGBDHN C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCOC1 ZINC000348146215 141238508 /nfs/dbraw/zinc/23/85/08/141238508.db2.gz ULMBODJWYOSGLM-DYEKYZERSA-N 0 3 346.387 3.111 20 5 EGBDHN C[C@H](CN1CCCCCC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000356230789 141323783 /nfs/dbraw/zinc/32/37/83/141323783.db2.gz VHLLWFSMMDLSED-GFCCVEGCSA-N 0 3 339.823 3.243 20 5 EGBDHN C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000356235366 141325272 /nfs/dbraw/zinc/32/52/72/141325272.db2.gz SKVFJGDVVRZUKR-SJCJKPOMSA-N 0 3 345.374 3.155 20 5 EGBDHN CCOC(=O)C[C@@](C)(NCc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000185231882 144108218 /nfs/dbraw/zinc/10/82/18/144108218.db2.gz UQNWSKWLVHOIKM-QGZVFWFLSA-N 0 3 338.404 3.061 20 5 EGBDHN Cc1cc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000346820911 156150771 /nfs/dbraw/zinc/15/07/71/156150771.db2.gz IXJODQHVQRVOLS-OAHLLOKOSA-N 0 3 341.411 3.154 20 5 EGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000354371317 166010830 /nfs/dbraw/zinc/01/08/30/166010830.db2.gz GZIPJEFGGMIKLZ-GFCCVEGCSA-N 0 3 339.823 3.243 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCN(C4CC4)C3)cs2)c1 ZINC000344205461 164126783 /nfs/dbraw/zinc/12/67/83/164126783.db2.gz BZRXOURPCVVFEF-CYBMUJFWSA-N 0 3 344.440 3.045 20 5 EGBDHN CCOC(=O)C1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000351915300 165149002 /nfs/dbraw/zinc/14/90/02/165149002.db2.gz LXUCPVNVGSAZBO-UHFFFAOYSA-N 0 3 344.367 3.288 20 5 EGBDHN COc1cccc(NCCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000355338839 166169537 /nfs/dbraw/zinc/16/95/37/166169537.db2.gz GWEIVZRTEACDTR-UHFFFAOYSA-N 0 3 341.411 3.464 20 5 EGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000359547371 167188317 /nfs/dbraw/zinc/18/83/17/167188317.db2.gz SAUNZVDCDXHWPQ-UKRRQHHQSA-N 0 3 345.399 3.355 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN2CCC(CCc3ccccc3)CC2)c1 ZINC000174813904 265073948 /nfs/dbraw/zinc/07/39/48/265073948.db2.gz KTGKRYOLZQRDGP-UHFFFAOYSA-N 0 3 328.416 3.136 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000175787371 265137407 /nfs/dbraw/zinc/13/74/07/265137407.db2.gz UKKFMNOKACKKEX-GJZGRUSLSA-N 0 3 348.447 3.138 20 5 EGBDHN COc1cccc(C(=O)Nc2cc(CN(C)C)ccc2C)c1[N+](=O)[O-] ZINC000192683403 265982023 /nfs/dbraw/zinc/98/20/23/265982023.db2.gz NNDHIIIYWUDFNU-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN CCN(Cc1ccc(OC)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269644436 266332511 /nfs/dbraw/zinc/33/25/11/266332511.db2.gz DANCASNLDWJZTQ-GOSISDBHSA-N 0 3 330.384 3.159 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2cccs2)c1 ZINC000274067272 267175131 /nfs/dbraw/zinc/17/51/31/267175131.db2.gz PYLUDKBGKXIJMH-HOCLYGCPSA-N 0 3 348.424 3.233 20 5 EGBDHN COC(=O)c1occc1CNCCCCc1ccc([N+](=O)[O-])cc1 ZINC000344637954 274009559 /nfs/dbraw/zinc/00/95/59/274009559.db2.gz WZNHDFVTVJBECB-UHFFFAOYSA-N 0 3 332.356 3.087 20 5 EGBDHN C[C@]1(CO)CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339106892 274652124 /nfs/dbraw/zinc/65/21/24/274652124.db2.gz BOFRQIORFOWLIH-ZIAGYGMSSA-N 0 3 332.322 3.254 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@H]3CCc4ccc(F)cc43)C2)nc1 ZINC000361399042 275037171 /nfs/dbraw/zinc/03/71/71/275037171.db2.gz CDIZHWUQIVUATB-PBHICJAKSA-N 0 3 342.374 3.303 20 5 EGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H](c2ccccc2)CC1 ZINC000159800408 275043965 /nfs/dbraw/zinc/04/39/65/275043965.db2.gz IVCWGURGLFPSSB-KRWDZBQOSA-N 0 3 341.411 3.026 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000162875489 275196742 /nfs/dbraw/zinc/19/67/42/275196742.db2.gz GSILXJWBCPULFO-CQSZACIVSA-N 0 3 334.420 3.145 20 5 EGBDHN CC(C)(C)[C@@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000278714633 275268094 /nfs/dbraw/zinc/26/80/94/275268094.db2.gz OZUUYFMTYIMELX-YGRLFVJLSA-N 0 3 334.445 3.481 20 5 EGBDHN CC(C)C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N(C)C ZINC000358028973 275586294 /nfs/dbraw/zinc/58/62/94/275586294.db2.gz QEEVXOMAKFFOJF-AWEZNQCLSA-N 0 3 333.388 3.047 20 5 EGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000286241562 275968784 /nfs/dbraw/zinc/96/87/84/275968784.db2.gz FKSWLDUIVFMWLL-UKRRQHHQSA-N 0 3 326.400 3.206 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000289648972 276371946 /nfs/dbraw/zinc/37/19/46/276371946.db2.gz DHCUFYPKHOJXIO-CYBMUJFWSA-N 0 3 348.447 3.351 20 5 EGBDHN CCOc1ccc([C@H](C)NCCc2nnc(C)s2)cc1[N+](=O)[O-] ZINC000289721358 276383205 /nfs/dbraw/zinc/38/32/05/276383205.db2.gz JRMNSNVTSGDZEC-JTQLQIEISA-N 0 3 336.417 3.047 20 5 EGBDHN CSC[C@](C)(O)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290770209 276539218 /nfs/dbraw/zinc/53/92/18/276539218.db2.gz BDANQTNBWFFWSG-GFCCVEGCSA-N 0 3 339.244 3.105 20 5 EGBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000292275249 276761077 /nfs/dbraw/zinc/76/10/77/276761077.db2.gz BJSZAOLUAYFRDQ-SJKOYZFVSA-N 0 3 348.424 3.327 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183854916 281019633 /nfs/dbraw/zinc/01/96/33/281019633.db2.gz KNBAQVYAROLVCM-CABCVRRESA-N 0 3 334.416 3.439 20 5 EGBDHN CN(C)CCN(Cc1ccccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000348907624 289148122 /nfs/dbraw/zinc/14/81/22/289148122.db2.gz XWMDOHODFDYAOR-UHFFFAOYSA-N 0 3 331.391 3.298 20 5 EGBDHN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCC[C@@H]1O ZINC000293937509 308175724 /nfs/dbraw/zinc/17/57/24/308175724.db2.gz ZKLUNAFPTNQDLJ-YGRLFVJLSA-N 0 3 332.322 3.206 20 5 EGBDHN O=C1CCCN1[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000414551602 309088267 /nfs/dbraw/zinc/08/82/67/309088267.db2.gz OSBBMJXDRYTQAZ-OPQSBORISA-N 0 3 343.427 3.085 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC000295443925 308327149 /nfs/dbraw/zinc/32/71/49/308327149.db2.gz AHUKUMCCZDXTKV-GFCCVEGCSA-N 0 3 345.443 3.076 20 5 EGBDHN COc1cc(CNC[C@H]2C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000299667376 308683745 /nfs/dbraw/zinc/68/37/45/308683745.db2.gz XQHYPMJSSAPDAQ-NXEZZACHSA-N 0 3 348.321 3.290 20 5 EGBDHN CC(C)[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000330612238 308796839 /nfs/dbraw/zinc/79/68/39/308796839.db2.gz WYKYAJSUFSVEIR-KRWDZBQOSA-N 0 3 333.432 3.064 20 5 EGBDHN CC(=O)N[C@H](C)C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000331159180 308802693 /nfs/dbraw/zinc/80/26/93/308802693.db2.gz ZQQVRKZCZJFSSF-ZIAGYGMSSA-N 0 3 333.432 3.201 20 5 EGBDHN C[C@H]1CC(C)(C)C[C@](CO)(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332235574 308831293 /nfs/dbraw/zinc/83/12/93/308831293.db2.gz PXTMFFBJSSMGIA-KPZWWZAWSA-N 0 3 346.431 3.138 20 5 EGBDHN CCN1CCN(c2cccc(Nc3ncc([N+](=O)[O-])cc3F)c2)CC1 ZINC000413223280 309022363 /nfs/dbraw/zinc/02/23/63/309022363.db2.gz CWHVSPJIIDBLBS-UHFFFAOYSA-N 0 3 345.378 3.014 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc2c(c1)CNC2 ZINC000415297848 309130351 /nfs/dbraw/zinc/13/03/51/309130351.db2.gz OGIYKOBTYCUTQA-UHFFFAOYSA-N 0 3 340.383 3.137 20 5 EGBDHN CN(C[C@@H]1CCCN1C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000421704865 309335819 /nfs/dbraw/zinc/33/58/19/309335819.db2.gz PZMMXHXJYDTVLR-AWEZNQCLSA-N 0 3 333.432 3.059 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000421746625 309338241 /nfs/dbraw/zinc/33/82/41/309338241.db2.gz DUATUJRQSZLDCD-WFASDCNBSA-N 0 3 333.432 3.062 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@]1(CO)CCCc2ccccc21 ZINC000441372048 309870123 /nfs/dbraw/zinc/87/01/23/309870123.db2.gz WOQVNQGPFZKBNI-FXVWLTTGSA-N 0 3 338.407 3.422 20 5 EGBDHN CCO[C@@H]1C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@]12CCCO2 ZINC000447595394 309983765 /nfs/dbraw/zinc/98/37/65/309983765.db2.gz NGCXTNNFNABKDB-OKYOBFRVSA-N 0 3 346.427 3.288 20 5 EGBDHN CCCOc1ncccc1CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449105861 310037520 /nfs/dbraw/zinc/03/75/20/310037520.db2.gz JNIOHARHIIOKOK-CQSZACIVSA-N 0 3 329.400 3.499 20 5 EGBDHN CCc1ccc([C@@H](CO)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449217187 310045282 /nfs/dbraw/zinc/04/52/82/310045282.db2.gz XPCIJPONCGTCAU-KBXCAEBGSA-N 0 3 328.412 3.411 20 5 EGBDHN C[C@H](NCCCOc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1 ZINC000451102835 310160697 /nfs/dbraw/zinc/16/06/97/310160697.db2.gz FDRDVLLOTLGLSF-ZDUSSCGKSA-N 0 3 344.367 3.443 20 5 EGBDHN Cc1cc(C)cc(OC[C@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451109036 310160908 /nfs/dbraw/zinc/16/09/08/310160908.db2.gz XPRQBKADMTYXHJ-MAUKXSAKSA-N 0 3 344.411 3.302 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451488605 310180943 /nfs/dbraw/zinc/18/09/43/310180943.db2.gz BDYROFRLMWCHLX-HZPDHXFCSA-N 0 3 349.431 3.023 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451499222 310181420 /nfs/dbraw/zinc/18/14/20/310181420.db2.gz MTHUYLUQNJJHPQ-HUUCEWRRSA-N 0 3 349.431 3.023 20 5 EGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NC1(C(=O)Nc2ccccc2)CC1 ZINC000453198337 310263482 /nfs/dbraw/zinc/26/34/82/310263482.db2.gz NXNJZKQFJIDXQX-CQSZACIVSA-N 0 3 339.395 3.287 20 5 EGBDHN C[C@H](CN1CCCCCC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000476226453 310824574 /nfs/dbraw/zinc/82/45/74/310824574.db2.gz XTWIORQTKZPIMG-OAHLLOKOSA-N 0 3 347.459 3.253 20 5 EGBDHN C[C@@H](NC[C@](C)(CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000478184234 310855810 /nfs/dbraw/zinc/85/58/10/310855810.db2.gz XQKHOSXOIXABLR-DNVCBOLYSA-N 0 3 328.412 3.487 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNC(=O)OC(C)(C)C ZINC000492514246 311260222 /nfs/dbraw/zinc/26/02/22/311260222.db2.gz WCCDHJPMJLLBGZ-JLHYYAGUSA-N 0 3 335.404 3.112 20 5 EGBDHN Cc1nccn1C[C@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493136079 311332586 /nfs/dbraw/zinc/33/25/86/311332586.db2.gz XZMIEJUYLPTPJD-CYBMUJFWSA-N 0 3 334.807 3.418 20 5 EGBDHN CCN(CCO)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000505863978 312036785 /nfs/dbraw/zinc/03/67/85/312036785.db2.gz IQPNHVLRVCCLFY-UHFFFAOYSA-N 0 3 329.400 3.177 20 5 EGBDHN Cc1ccc(C[C@@H](CO)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1C ZINC000514799732 312246497 /nfs/dbraw/zinc/24/64/97/312246497.db2.gz XRUKPYTXYOPADS-LPHOPBHVSA-N 0 3 340.423 3.392 20 5 EGBDHN Cc1ccc(CNCCN2c3ccccc3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000520221213 312496634 /nfs/dbraw/zinc/49/66/34/312496634.db2.gz YTYWYBAVTQLWJM-HNNXBMFYSA-N 0 3 325.412 3.444 20 5 EGBDHN COc1ccc2c(c1)CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000534837651 314001333 /nfs/dbraw/zinc/00/13/33/314001333.db2.gz PBKYGCZBAVTMNA-UHFFFAOYSA-N 0 3 342.395 3.083 20 5 EGBDHN CCOC(=O)[C@H](C)[C@H](C)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549934142 315111352 /nfs/dbraw/zinc/11/13/52/315111352.db2.gz XYOLQQFJRFGUDD-ZJUUUORDSA-N 0 3 348.321 3.291 20 5 EGBDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000570831505 317114737 /nfs/dbraw/zinc/11/47/37/317114737.db2.gz MHFFEKUOONGISL-KBXCAEBGSA-N 0 3 342.395 3.105 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)COc1ccccc1)CCC2 ZINC000574266568 317578730 /nfs/dbraw/zinc/57/87/30/317578730.db2.gz MCYSAUQFPAJXAZ-VQIMIIECSA-N 0 3 342.395 3.002 20 5 EGBDHN NC(=O)C[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000181988002 323517868 /nfs/dbraw/zinc/51/78/68/323517868.db2.gz LCYKEAPZKPGIKY-CQSZACIVSA-N 0 3 339.823 3.162 20 5 EGBDHN CCC(CC)Nc1ccncc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000580484678 325256073 /nfs/dbraw/zinc/25/60/73/325256073.db2.gz XQFRIINUDLOQPX-UHFFFAOYSA-N 0 3 342.399 3.193 20 5 EGBDHN C[C@@H](C(=O)N(CCN(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000582882124 325476848 /nfs/dbraw/zinc/47/68/48/325476848.db2.gz NRUCRMOFCLXTDF-OAHLLOKOSA-N 0 3 341.411 3.293 20 5 EGBDHN O=[N+]([O-])c1ccccc1CNC[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000189627261 455224135 /nfs/dbraw/zinc/22/41/35/455224135.db2.gz YNNRSRUIKIKMNB-GXTWGEPZSA-N 0 3 332.322 3.168 20 5 EGBDHN Cn1cc(CNCc2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237932625 455236010 /nfs/dbraw/zinc/23/60/10/455236010.db2.gz RILYRERODFPLSQ-UHFFFAOYSA-N 0 3 340.358 3.424 20 5 EGBDHN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000432858166 458802052 /nfs/dbraw/zinc/80/20/52/458802052.db2.gz HVJSFFRDWCMMKN-LBPRGKRZSA-N 0 3 327.812 3.161 20 5 EGBDHN CN(C)C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000007816505 453121213 /nfs/dbraw/zinc/12/12/13/453121213.db2.gz DLBWNTGFRYYFDS-HNNXBMFYSA-N 0 3 347.802 3.281 20 5 EGBDHN O=[N+]([O-])c1cc(CN2CC[C@H]3CCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000016694699 453619436 /nfs/dbraw/zinc/61/94/36/453619436.db2.gz OWNFGBDPRXJRJZ-ZIAGYGMSSA-N 0 3 332.400 3.473 20 5 EGBDHN 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ZINC000360884516 457406879 /nfs/dbraw/zinc/40/68/79/457406879.db2.gz RTLVQTJKWGTWAQ-QGZVFWFLSA-N 0 3 340.427 3.399 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(O[C@H]2CCOC2)CC1 ZINC000352546420 457455822 /nfs/dbraw/zinc/45/58/22/457455822.db2.gz UYKVVSLQCKCBKW-YOEHRIQHSA-N 0 3 334.416 3.234 20 5 EGBDHN COc1ccc([C@@H](OC)[C@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000357350545 457466414 /nfs/dbraw/zinc/46/64/14/457466414.db2.gz JRASOBSAXRXXEF-UGSOOPFHSA-N 0 3 330.384 3.469 20 5 EGBDHN CCC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000347509726 457474603 /nfs/dbraw/zinc/47/46/03/457474603.db2.gz AVKNACGQHWSWLW-HKUYNNGSSA-N 0 3 344.411 3.466 20 5 EGBDHN C[C@@H](O)CN(C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000361018082 457516228 /nfs/dbraw/zinc/51/62/28/457516228.db2.gz QDMQMTGUNFCWJY-CQSZACIVSA-N 0 3 329.400 3.175 20 5 EGBDHN COc1ccc(CN2CC3(CCC3)[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000425370053 457525169 /nfs/dbraw/zinc/52/51/69/457525169.db2.gz IPAJUXPNZSVGEP-GOSISDBHSA-N 0 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EGBDHN CCN1C[C@H](C)N(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@H]1C ZINC001327688384 1388583514 /nfs/dbraw/zinc/58/35/14/1388583514.db2.gz PBQVOBOFOORILG-MNOVXSKESA-N 0 3 349.822 3.110 20 5 EGBDHN CC[C@H]1CC[C@H](C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001148501373 1379193619 /nfs/dbraw/zinc/19/36/19/1379193619.db2.gz LZGFNWLQCDKWOJ-KOMQPUFPSA-N 0 3 333.432 3.017 20 5 EGBDHN CN(C)c1ccncc1NC(=O)c1ccnc2c1ccc1cccnc12 ZINC001155806117 1380494222 /nfs/dbraw/zinc/49/42/22/1380494222.db2.gz UQYKHFAIUBNZBB-UHFFFAOYSA-N 0 3 343.390 3.496 20 5 EGBDHN CC(C)(C)OC(=O)c1ccc(N[C@H]2CN3CCC2CC3)cc1[N+](=O)[O-] ZINC001163395649 1383041540 /nfs/dbraw/zinc/04/15/40/1383041540.db2.gz UZRDOVOTLPGXHK-HNNXBMFYSA-N 0 3 347.415 3.056 20 5 EGBDHN Cc1ccccc1OCCCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001163975174 1383142179 /nfs/dbraw/zinc/14/21/79/1383142179.db2.gz JNNIAYKTLFGFHV-UHFFFAOYSA-N 0 3 327.384 3.387 20 5 EGBDHN O=C(NCCC1(CNCc2csc([N+](=O)[O-])c2)CC1)C1=CCCC1 ZINC001164058716 1383151611 /nfs/dbraw/zinc/15/16/11/1383151611.db2.gz UJDJMNIDHZWVJU-UHFFFAOYSA-N 0 3 349.456 3.143 20 5 EGBDHN O=[N+]([O-])C[C@H]1CC[C@H](NC2(c3ccccc3Br)CC2)C1 ZINC001168985583 1384079399 /nfs/dbraw/zinc/07/93/99/1384079399.db2.gz TVKGFLLGBSSFAT-RYUDHWBXSA-N 0 3 339.233 3.473 20 5 EGBDHN CCC(CC)CC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001169361993 1384140665 /nfs/dbraw/zinc/14/06/65/1384140665.db2.gz YRORHRAYJHBVEP-UHFFFAOYSA-N 0 3 327.450 3.079 20 5 EGBDHN COc1ccc(C[C@@H](C)N[C@@H](C)c2ccc(F)cn2)c([N+](=O)[O-])c1 ZINC001170307464 1384287320 /nfs/dbraw/zinc/28/73/20/1384287320.db2.gz GEHWQCHXICEISD-NEPJUHHUSA-N 0 3 333.363 3.419 20 5 EGBDHN O=C(CN[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1F ZINC001172901225 1384874218 /nfs/dbraw/zinc/87/42/18/1384874218.db2.gz LJHIAEIGMGWBJA-OAHLLOKOSA-N 0 3 342.370 3.454 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2c(C)noc2C)c1F ZINC001173175167 1384931792 /nfs/dbraw/zinc/93/17/92/1384931792.db2.gz AOHIHGYXKAASKU-SECBINFHSA-N 0 3 337.351 3.068 20 5 EGBDHN Cc1cncc([N+](=O)[O-])c1N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001322723164 1387230706 /nfs/dbraw/zinc/23/07/06/1387230706.db2.gz PMMXBHCYKGLTMH-KRWDZBQOSA-N 0 3 340.427 3.399 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCC(F)(F)F ZINC000063562348 201050201 /nfs/dbraw/zinc/05/02/01/201050201.db2.gz GMQYWYCVNTXAJN-UHFFFAOYSA-N 0 3 333.310 3.116 20 5 EGBDHN COCC(C)(C)N(C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000292105129 201342214 /nfs/dbraw/zinc/34/22/14/201342214.db2.gz IJLYZOZBZGZXQT-UHFFFAOYSA-N 0 3 331.210 3.214 20 5 EGBDHN CC[C@@H](NCCc1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000126647711 205066435 /nfs/dbraw/zinc/06/64/35/205066435.db2.gz BKPWFVDYRPKAGF-MRXNPFEDSA-N 0 3 343.431 3.196 20 5 EGBDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000130564113 205245108 /nfs/dbraw/zinc/24/51/08/205245108.db2.gz AFAFGJWZFZXOCU-MRXNPFEDSA-N 0 3 330.388 3.151 20 5 EGBDHN CC(C)N(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000163345719 206449153 /nfs/dbraw/zinc/44/91/53/206449153.db2.gz ADXFIZVKIKIENV-UHFFFAOYSA-N 0 3 328.800 3.052 20 5 EGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000266523866 248344332 /nfs/dbraw/zinc/34/43/32/248344332.db2.gz JKUNSTORXSQYPC-ZIAGYGMSSA-N 0 3 341.415 3.073 20 5 EGBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000103114194 140867469 /nfs/dbraw/zinc/86/74/69/140867469.db2.gz ZXNUYFRFFSRIQU-UHFFFAOYSA-N 0 3 341.411 3.107 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246831134 141038065 /nfs/dbraw/zinc/03/80/65/141038065.db2.gz OCWITYOQGKNKHN-KSSFIOAISA-N 0 3 345.443 3.052 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000347947287 141223189 /nfs/dbraw/zinc/22/31/89/141223189.db2.gz XXZUODXCVMHAJN-OAHLLOKOSA-N 0 3 333.432 3.123 20 5 EGBDHN C[C@H](NC(=O)c1cccc(CN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000172616570 144024408 /nfs/dbraw/zinc/02/44/08/144024408.db2.gz YLQTWZKUCGOJBY-ZDUSSCGKSA-N 0 3 327.384 3.147 20 5 EGBDHN CNC(=O)c1cccc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000344886515 144237160 /nfs/dbraw/zinc/23/71/60/144237160.db2.gz VJKQPQXWZWRKDR-ZROIWOOFSA-N 0 3 339.395 3.148 20 5 EGBDHN COCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000361679069 144349486 /nfs/dbraw/zinc/34/94/86/144349486.db2.gz SUEOTXWNSMNCQD-OAHLLOKOSA-N 0 3 334.416 3.408 20 5 EGBDHN CCO[C@@H]1C[C@H](O)C12CCN([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000305830273 286411423 /nfs/dbraw/zinc/41/14/23/286411423.db2.gz NWKKZMORXLJQGD-FHLIZLRMSA-N 0 3 348.443 3.216 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000301640376 154024026 /nfs/dbraw/zinc/02/40/26/154024026.db2.gz QZCYLUVGLVFKBO-INIZCTEOSA-N 0 3 326.400 3.375 20 5 EGBDHN CCc1cc(OC)ccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000337505639 154387252 /nfs/dbraw/zinc/38/72/52/154387252.db2.gz OSHLPQSTYLRUDE-UHFFFAOYSA-N 0 3 344.415 3.199 20 5 EGBDHN Cc1cc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000346820910 156150711 /nfs/dbraw/zinc/15/07/11/156150711.db2.gz IXJODQHVQRVOLS-HNNXBMFYSA-N 0 3 341.411 3.154 20 5 EGBDHN CCOc1cc(CN2CCC3(CCOCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000372811977 157389238 /nfs/dbraw/zinc/38/92/38/157389238.db2.gz MXRIDNHLVXABTB-AWEZNQCLSA-N 0 3 334.416 3.385 20 5 EGBDHN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000093480769 162013122 /nfs/dbraw/zinc/01/31/22/162013122.db2.gz CRFLUSMCZBJGGT-KGLIPLIRSA-N 0 3 328.416 3.473 20 5 EGBDHN C[C@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000109146838 162095413 /nfs/dbraw/zinc/09/54/13/162095413.db2.gz VTMKLSHDCXEGRS-SUMWQHHRSA-N 0 3 325.368 3.051 20 5 EGBDHN O=[N+]([O-])c1cccc(CN(CCCO[C@H]2CCCCO2)C2CC2)c1 ZINC000338286507 163207207 /nfs/dbraw/zinc/20/72/07/163207207.db2.gz RRSCQUCHBYBGCT-SFHVURJKSA-N 0 3 334.416 3.493 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000359537727 167184525 /nfs/dbraw/zinc/18/45/25/167184525.db2.gz GYUHMLATUUEOFU-DOMZBBRYSA-N 0 3 331.372 3.047 20 5 EGBDHN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179499231 265378982 /nfs/dbraw/zinc/37/89/82/265378982.db2.gz NFOAFJHFKDBARG-GFCCVEGCSA-N 0 3 345.378 3.109 20 5 EGBDHN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179499231 265378984 /nfs/dbraw/zinc/37/89/84/265378984.db2.gz NFOAFJHFKDBARG-GFCCVEGCSA-N 0 3 345.378 3.109 20 5 EGBDHN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000274570787 267255344 /nfs/dbraw/zinc/25/53/44/267255344.db2.gz ATEXCLLASSSJSA-SJCJKPOMSA-N 0 3 345.374 3.155 20 5 EGBDHN C[C@@H]1C[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CN1C1CC1 ZINC000278356809 267994229 /nfs/dbraw/zinc/99/42/29/267994229.db2.gz JYJCKZRULVIUON-BDAKNGLRSA-N 0 3 330.310 3.046 20 5 EGBDHN CC(C)(C)[S@@](=O)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278966001 275291763 /nfs/dbraw/zinc/29/17/63/275291763.db2.gz BPYWHFGXJVPRAU-WNSKOXEYSA-N 0 3 338.473 3.454 20 5 EGBDHN CC[C@H](C)NC(=O)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279163739 275309068 /nfs/dbraw/zinc/30/90/68/275309068.db2.gz UGWCDUDHJWOWEL-LRDDRELGSA-N 0 3 333.432 3.212 20 5 EGBDHN CC(=O)c1cc(N2CCCN(C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000287291613 276105102 /nfs/dbraw/zinc/10/51/02/276105102.db2.gz MFDSEEXKZUOGGG-UHFFFAOYSA-N 0 3 331.416 3.252 20 5 EGBDHN CS[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000340198330 278167956 /nfs/dbraw/zinc/16/79/56/278167956.db2.gz AUPUMOFXBASEFF-STQMWFEESA-N 0 3 349.378 3.095 20 5 EGBDHN O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]2CN2CCCCC2)c(F)c1 ZINC000352024107 280359302 /nfs/dbraw/zinc/35/93/02/280359302.db2.gz DFCXAQLBZGMFMT-CYBMUJFWSA-N 0 3 339.386 3.323 20 5 EGBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000357848573 281389025 /nfs/dbraw/zinc/38/90/25/281389025.db2.gz JPBPVBDBXGSJEE-KSSFIOAISA-N 0 3 341.411 3.324 20 5 EGBDHN O=[N+]([O-])c1cccc(CNCCOc2ncc(Cl)cc2Cl)c1 ZINC000134474536 307687695 /nfs/dbraw/zinc/68/76/95/307687695.db2.gz KCSGGSJWXPKHFG-UHFFFAOYSA-N 0 3 342.182 3.465 20 5 EGBDHN CC[C@@H](NC[C@@H](O)COc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000152921869 307761923 /nfs/dbraw/zinc/76/19/23/307761923.db2.gz OEBGUSBLUJVGAL-IEBWSBKVSA-N 0 3 344.411 3.384 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248418289 308002675 /nfs/dbraw/zinc/00/26/75/308002675.db2.gz KFBLGIYXUCNLQG-DUVNUKRYSA-N 0 3 347.415 3.052 20 5 EGBDHN CC(C)CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CCN(C)CC1 ZINC000255160749 308042470 /nfs/dbraw/zinc/04/24/70/308042470.db2.gz PEMIHWOUISYSEK-HJWRWDBZSA-N 0 3 345.443 3.187 20 5 EGBDHN C[C@H](NC[C@H](c1ccco1)N1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293720401 308155641 /nfs/dbraw/zinc/15/56/41/308155641.db2.gz MLVFFGJRSXYHKZ-SUMWQHHRSA-N 0 3 344.415 3.258 20 5 EGBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN(C2CC2)C1 ZINC000294897778 308269102 /nfs/dbraw/zinc/26/91/02/308269102.db2.gz HVIJVDJHVMPQIT-LLVKDONJSA-N 0 3 341.358 3.117 20 5 EGBDHN Cc1cc(Cl)c(C(=O)N2CCCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000295240337 308306395 /nfs/dbraw/zinc/30/63/95/308306395.db2.gz LOVZPEWASSQOMN-UHFFFAOYSA-N 0 3 339.823 3.113 20 5 EGBDHN C[C@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000295367183 308319159 /nfs/dbraw/zinc/31/91/59/308319159.db2.gz OMQCOEMAPUSNND-ZDUSSCGKSA-N 0 3 327.384 3.147 20 5 EGBDHN C[C@@H]1[C@H](CO)CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414589465 309090958 /nfs/dbraw/zinc/09/09/58/309090958.db2.gz WWNZZLLCXIDUTN-HIFRSBDPSA-N 0 3 330.384 3.448 20 5 EGBDHN CN(C)[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)Cc1ccccc1 ZINC000302819998 308746995 /nfs/dbraw/zinc/74/69/95/308746995.db2.gz CWKKLVSWNTZQEJ-OAHLLOKOSA-N 0 3 340.427 3.148 20 5 EGBDHN CC(C)[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000330612239 308796903 /nfs/dbraw/zinc/79/69/03/308796903.db2.gz WYKYAJSUFSVEIR-QGZVFWFLSA-N 0 3 333.432 3.064 20 5 EGBDHN CC(=O)N[C@@H](C)C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000331159177 308802729 /nfs/dbraw/zinc/80/27/29/308802729.db2.gz ZQQVRKZCZJFSSF-KBPBESRZSA-N 0 3 333.432 3.201 20 5 EGBDHN C[C@H]1CCCN(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413063729 309014131 /nfs/dbraw/zinc/01/41/31/309014131.db2.gz SMYDWPJVWKLZQV-JTQLQIEISA-N 0 3 332.326 3.152 20 5 EGBDHN COc1ccc(CN[C@@H]2CCCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000414916398 309109229 /nfs/dbraw/zinc/10/92/29/309109229.db2.gz OGOWWEMNKHYCMB-MRXNPFEDSA-N 0 3 327.384 3.353 20 5 EGBDHN CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCCN1C ZINC000421409723 309323493 /nfs/dbraw/zinc/32/34/93/309323493.db2.gz NGTLDNYIOBDPCZ-INIZCTEOSA-N 0 3 329.400 3.381 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000423417600 309399395 /nfs/dbraw/zinc/39/93/95/309399395.db2.gz HBZIAWMSIIVORW-RDTXWAMCSA-N 0 3 325.412 3.441 20 5 EGBDHN COC(=O)CC1CC(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000424285829 309436449 /nfs/dbraw/zinc/43/64/49/309436449.db2.gz VCJADKRCUAUKRH-UHFFFAOYSA-N 0 3 346.305 3.045 20 5 EGBDHN COCC(C)(C)N1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000425501983 309483250 /nfs/dbraw/zinc/48/32/50/309483250.db2.gz GCXBRQRFNVZKGT-HNNXBMFYSA-N 0 3 335.448 3.007 20 5 EGBDHN CN(CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000433172724 309680672 /nfs/dbraw/zinc/68/06/72/309680672.db2.gz DGOYIAHIVFGJDS-AWEZNQCLSA-N 0 3 345.365 3.401 20 5 EGBDHN Cc1c(CC(=O)N2CCN(CCC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000439109659 309826517 /nfs/dbraw/zinc/82/65/17/309826517.db2.gz GREQQSZTNBHAKT-UHFFFAOYSA-N 0 3 347.459 3.026 20 5 EGBDHN COc1ccc(CNCCc2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC000441211415 309864832 /nfs/dbraw/zinc/86/48/32/309864832.db2.gz YEWVUVOLLQTFFM-UHFFFAOYSA-N 0 3 325.368 3.417 20 5 EGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(OCC2CC2)nc1 ZINC000449111673 310037941 /nfs/dbraw/zinc/03/79/41/310037941.db2.gz AOWBWGPPFMPFPJ-AWEZNQCLSA-N 0 3 341.411 3.499 20 5 EGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc(N2CCC2=O)c1 ZINC000449305786 310052017 /nfs/dbraw/zinc/05/20/17/310052017.db2.gz UBPDJZGPACONAC-CQSZACIVSA-N 0 3 339.395 3.052 20 5 EGBDHN CCOC(=O)c1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)[nH]c1C ZINC000449312534 310052695 /nfs/dbraw/zinc/05/26/95/310052695.db2.gz MNUDIKHKMVAHIP-UHFFFAOYSA-N 0 3 345.399 3.083 20 5 EGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccc(F)cc1 ZINC000449380487 310057665 /nfs/dbraw/zinc/05/76/65/310057665.db2.gz NKTUMFSYVFELMQ-CXAGYDPISA-N 0 3 332.375 3.378 20 5 EGBDHN C[C@@H]1C[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCN1C ZINC000450353680 310117463 /nfs/dbraw/zinc/11/74/63/310117463.db2.gz GFWRUIPZQPMOSR-YPMHNXCESA-N 0 3 332.429 3.035 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H](N4CC=CC4)C3)n2)cc1 ZINC000450355369 310117570 /nfs/dbraw/zinc/11/75/70/310117570.db2.gz QOSMQWAUEYFGCQ-HNNXBMFYSA-N 0 3 342.424 3.169 20 5 EGBDHN Cc1cc(N2C[C@H]3CCN(C)[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000450780133 310142356 /nfs/dbraw/zinc/14/23/56/310142356.db2.gz PFXLLIOPDWSQFC-YGRLFVJLSA-N 0 3 329.322 3.062 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)n1 ZINC000451357055 310173959 /nfs/dbraw/zinc/17/39/59/310173959.db2.gz SGKZDRGJYJPEDJ-OAHLLOKOSA-N 0 3 338.770 3.325 20 5 EGBDHN CCC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000451439402 310178514 /nfs/dbraw/zinc/17/85/14/310178514.db2.gz OAVUJGGJUSTPJQ-HNNXBMFYSA-N 0 3 337.420 3.346 20 5 EGBDHN COc1ccc2c(c1)C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CO2 ZINC000453063622 310255440 /nfs/dbraw/zinc/25/54/40/310255440.db2.gz FBDHJYVXMDCXDN-SWLSCSKDSA-N 0 3 328.368 3.258 20 5 EGBDHN CO[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCC2 ZINC000459724318 310571005 /nfs/dbraw/zinc/57/10/05/310571005.db2.gz ANIHQMCSIFSNPD-KBPBESRZSA-N 0 3 342.342 3.243 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(N2CCN(C3CCC(C)CC3)CC2)c1 ZINC000462847214 310606650 /nfs/dbraw/zinc/60/66/50/310606650.db2.gz DSRDUFYQOJSTPR-UHFFFAOYSA-N 0 3 333.432 3.304 20 5 EGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)CC(C)C ZINC000462995210 310608053 /nfs/dbraw/zinc/60/80/53/310608053.db2.gz SPCGKTVZDYWGCA-KRWDZBQOSA-N 0 3 349.475 3.210 20 5 EGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCN(C)C)CC(C)C ZINC000462995211 310608078 /nfs/dbraw/zinc/60/80/78/310608078.db2.gz SPCGKTVZDYWGCA-QGZVFWFLSA-N 0 3 349.475 3.210 20 5 EGBDHN CCC(CC)[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000467832382 310678645 /nfs/dbraw/zinc/67/86/45/310678645.db2.gz QUKPVBJPTGVSEU-BEFAXECRSA-N 0 3 349.475 3.382 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccnc(-n2cccn2)c1 ZINC000468620690 310691409 /nfs/dbraw/zinc/69/14/09/310691409.db2.gz KGICPPSTAPBLJX-XNTDXEJSSA-N 0 3 349.394 3.369 20 5 EGBDHN Cc1c([C@@H](C)NC[C@@H](CC(C)C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000480272011 310892096 /nfs/dbraw/zinc/89/20/96/310892096.db2.gz BFWHKCLNSSJQDK-IAGOWNOFSA-N 0 3 349.475 3.301 20 5 EGBDHN CC(C)(C)OC(=O)N1CC2(CC(NCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000496284966 311690049 /nfs/dbraw/zinc/69/00/49/311690049.db2.gz QAUDFFDXTBDIGY-UHFFFAOYSA-N 0 3 347.415 3.084 20 5 EGBDHN CCCCN(CCO)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000505842411 312036366 /nfs/dbraw/zinc/03/63/66/312036366.db2.gz IZKDOEFPDJMUAF-UHFFFAOYSA-N 0 3 348.399 3.458 20 5 EGBDHN C[C@@]1(NC(=O)c2csc([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000516974011 312355440 /nfs/dbraw/zinc/35/54/40/312355440.db2.gz OERMDKAHHPOQRD-QGZVFWFLSA-N 0 3 345.424 3.051 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccnc4ccccc34)C2)nc1 ZINC000539838274 314343961 /nfs/dbraw/zinc/34/39/61/314343961.db2.gz QIDMNUAFMBRKJG-HNNXBMFYSA-N 0 3 349.394 3.224 20 5 EGBDHN Cc1cc(NCC2([C@H](C)CCO)CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000542119497 314518483 /nfs/dbraw/zinc/51/84/83/314518483.db2.gz FMHTZOMHSQDEBX-CYBMUJFWSA-N 0 3 343.427 3.474 20 5 EGBDHN CCC(CC)(CCO)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000543047453 314600709 /nfs/dbraw/zinc/60/07/09/314600709.db2.gz XNKGJQZSUKRLDH-UHFFFAOYSA-N 0 3 331.416 3.474 20 5 EGBDHN CC[C@H]1CCCCN1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000550748513 315133927 /nfs/dbraw/zinc/13/39/27/315133927.db2.gz KNOUYBQKBKMUDA-HNNXBMFYSA-N 0 3 347.459 3.253 20 5 EGBDHN CCN(CCN1CCCCCC1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000558051943 315548438 /nfs/dbraw/zinc/54/84/38/315548438.db2.gz IRDLEPRCAWCEIU-MRXNPFEDSA-N 0 3 347.459 3.423 20 5 EGBDHN C[C@H]1CCC[C@@]1(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000561057532 315737591 /nfs/dbraw/zinc/73/75/91/315737591.db2.gz JVUVFFGGXSRXFZ-SCLBCKFNSA-N 0 3 330.384 3.496 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCN1CCc2ccccc2C1 ZINC000563417945 316018241 /nfs/dbraw/zinc/01/82/41/316018241.db2.gz NCIZPVUAHKQUDN-IBGZPJMESA-N 0 3 337.423 3.230 20 5 EGBDHN CC1(C)C[C@@H](NC[C@@H](CO)Cc2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000572820196 317396174 /nfs/dbraw/zinc/39/61/74/317396174.db2.gz AJRWVBALEJWUBO-SCLBCKFNSA-N 0 3 344.411 3.351 20 5 EGBDHN Cc1cc(C)cc([C@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000182910457 323582444 /nfs/dbraw/zinc/58/24/44/323582444.db2.gz AOSGTASUKRLAHJ-MAUKXSAKSA-N 0 3 344.411 3.302 20 5 EGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000575184681 324433082 /nfs/dbraw/zinc/43/30/82/324433082.db2.gz ZXSKTPHSLXSUPU-CQSZACIVSA-N 0 3 347.459 3.061 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H](CO)C3CCCC3)o2)c1 ZINC000578988400 325046783 /nfs/dbraw/zinc/04/67/83/325046783.db2.gz JWPPWPVGAXZSIR-KRWDZBQOSA-N 0 3 330.384 3.496 20 5 EGBDHN CCc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000018017103 453641042 /nfs/dbraw/zinc/64/10/42/453641042.db2.gz BVRPOKNJYNDCQV-SFHVURJKSA-N 0 3 341.411 3.190 20 5 EGBDHN COc1ccc(NC(=O)CN(C)C2CCCCCC2)c([N+](=O)[O-])c1 ZINC000029166235 453826977 /nfs/dbraw/zinc/82/69/77/453826977.db2.gz OOJHCTJONKMVAX-UHFFFAOYSA-N 0 3 335.404 3.197 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000067055358 453897595 /nfs/dbraw/zinc/89/75/95/453897595.db2.gz DJNGVOIPODUOMK-UHFFFAOYSA-N 0 3 343.383 3.096 20 5 EGBDHN CC(=O)Nc1cccc2c1CCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000054393096 453928282 /nfs/dbraw/zinc/92/82/82/453928282.db2.gz SZRWPUFBNOMUBB-UHFFFAOYSA-N 0 3 339.395 3.154 20 5 EGBDHN C[C@H]1CSCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190842748 455390227 /nfs/dbraw/zinc/39/02/27/455390227.db2.gz BMEBGPYJARPKDP-CYBMUJFWSA-N 0 3 346.456 3.180 20 5 EGBDHN CN1CCC[C@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000044537708 454105628 /nfs/dbraw/zinc/10/56/28/454105628.db2.gz GZHWXAFJNXNTOV-SNVBAGLBSA-N 0 3 328.210 3.111 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCOCC(F)F)o2)c1 ZINC000190900557 455401417 /nfs/dbraw/zinc/40/14/17/455401417.db2.gz DVXKOUOHIJQRFZ-UHFFFAOYSA-N 0 3 326.299 3.226 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2c2ccsc2)c1 ZINC000046088017 454217252 /nfs/dbraw/zinc/21/72/52/454217252.db2.gz SOVFZLGQYQHBOP-NVXWUHKLSA-N 0 3 348.424 3.233 20 5 EGBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1cccc2c1OCO2)C1CC1 ZINC000130844607 454221603 /nfs/dbraw/zinc/22/16/03/454221603.db2.gz SXTOKGJOXFRELE-MRXNPFEDSA-N 0 3 340.379 3.434 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000120140008 454263840 /nfs/dbraw/zinc/26/38/40/454263840.db2.gz PJEHLWZFWXBVOO-AWEZNQCLSA-N 0 3 334.420 3.208 20 5 EGBDHN O=c1ccc([N+](=O)[O-])cn1CCNC(c1ccccc1)c1ccccc1 ZINC000090371091 454298954 /nfs/dbraw/zinc/29/89/54/454298954.db2.gz JHSZLJFNALRHGW-UHFFFAOYSA-N 0 3 349.390 3.136 20 5 EGBDHN Cc1ccc([C@H](C)N[C@@H]2CCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000090801434 454341969 /nfs/dbraw/zinc/34/19/69/454341969.db2.gz CEYSAFANZWLPEO-GOEBONIOSA-N 0 3 326.400 3.228 20 5 EGBDHN Cc1ccc([C@@H](C)N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000047959924 454424912 /nfs/dbraw/zinc/42/49/12/454424912.db2.gz FLMBGRUVNFLBQT-QAPCUYQASA-N 0 3 344.411 3.336 20 5 EGBDHN COc1ccc2c(c1)CN(CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000065163692 454534669 /nfs/dbraw/zinc/53/46/69/454534669.db2.gz RXXSFEVQVSWLQV-UHFFFAOYSA-N 0 3 342.395 3.431 20 5 EGBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134468374 454546682 /nfs/dbraw/zinc/54/66/82/454546682.db2.gz WJTSFBFKFHDNOO-UHFFFAOYSA-N 0 3 331.347 3.356 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN(C2CC2)[C@@H]2CCCc3ccccc32)n1 ZINC000176215918 454713238 /nfs/dbraw/zinc/71/32/38/454713238.db2.gz RDLAANPDTGLROV-QGZVFWFLSA-N 0 3 326.400 3.333 20 5 EGBDHN Cc1cccc(OC[C@@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000152895570 454737888 /nfs/dbraw/zinc/73/78/88/454737888.db2.gz RTCGSCGUMJEEDE-HOTGVXAUSA-N 0 3 344.411 3.302 20 5 EGBDHN CCOc1ccc([C@H](C)NCCc2c(C)noc2C)cc1[N+](=O)[O-] ZINC000153679969 454820170 /nfs/dbraw/zinc/82/01/70/454820170.db2.gz FUNUYRISWSZIBZ-NSHDSACASA-N 0 3 333.388 3.492 20 5 EGBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000163589745 454856426 /nfs/dbraw/zinc/85/64/26/454856426.db2.gz PJGMBDNNZVDREP-UHFFFAOYSA-N 0 3 341.411 3.235 20 5 EGBDHN CCOc1ccc([C@@H](C)NC[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000154181533 454872579 /nfs/dbraw/zinc/87/25/79/454872579.db2.gz KEMKEFSLVCWPOA-DGCLKSJQSA-N 0 3 342.486 3.493 20 5 EGBDHN C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000150876345 454906838 /nfs/dbraw/zinc/90/68/38/454906838.db2.gz AGSZKKNLBYYFOJ-NVXWUHKLSA-N 0 3 340.427 3.479 20 5 EGBDHN CCC[C@H](NCCNC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000178491194 454956900 /nfs/dbraw/zinc/95/69/00/454956900.db2.gz RNEXVNAYYWKTRT-HNNXBMFYSA-N 0 3 331.372 3.049 20 5 EGBDHN Cc1c(NC(=O)CCN(C)[C@@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000127559832 454976890 /nfs/dbraw/zinc/97/68/90/454976890.db2.gz MPGDPXXEMNSXAR-AWEZNQCLSA-N 0 3 342.399 3.320 20 5 EGBDHN CC(C)c1ccc([C@H](N)CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000151933907 455051162 /nfs/dbraw/zinc/05/11/62/455051162.db2.gz NTAVSVGORZTZBV-QGZVFWFLSA-N 0 3 327.384 3.148 20 5 EGBDHN Cc1cccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000171338525 455063475 /nfs/dbraw/zinc/06/34/75/455063475.db2.gz MCAAFRXKCIYIEF-UHFFFAOYSA-N 0 3 347.440 3.169 20 5 EGBDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000179890053 455095019 /nfs/dbraw/zinc/09/50/19/455095019.db2.gz DQFSTJCLIUZVDE-HNNXBMFYSA-N 0 3 344.367 3.382 20 5 EGBDHN COc1cc(CN(C)[C@@H](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179935983 455101608 /nfs/dbraw/zinc/10/16/08/455101608.db2.gz NXYXVQVSURBUHT-JTQLQIEISA-N 0 3 344.358 3.478 20 5 EGBDHN C[C@@H]1C[C@H]1[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000180034945 455120458 /nfs/dbraw/zinc/12/04/58/455120458.db2.gz QMGKGEUYTXNJTF-DJSGYFEHSA-N 0 3 334.807 3.432 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN2C[C@@H]3CCCC[C@]32c2ccccc2)n1 ZINC000152508146 455129364 /nfs/dbraw/zinc/12/93/64/455129364.db2.gz SNMUTGRGIQEPHW-WMZOPIPTSA-N 0 3 326.400 3.193 20 5 EGBDHN COc1cccc([C@H](CNCc2csc([N+](=O)[O-])c2)N(C)C)c1 ZINC000237330525 455174707 /nfs/dbraw/zinc/17/47/07/455174707.db2.gz JOOOSCVJLDLZCD-HNNXBMFYSA-N 0 3 335.429 3.057 20 5 EGBDHN Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c(CN(C)C)c1 ZINC000173755311 455331719 /nfs/dbraw/zinc/33/17/19/455331719.db2.gz DFQJATPJMFDUMX-UHFFFAOYSA-N 0 3 327.384 3.146 20 5 EGBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(OCC2CC2)c(F)c1 ZINC000181569770 455356147 /nfs/dbraw/zinc/35/61/47/455356147.db2.gz HUTRXAYRCIVUEP-GFCCVEGCSA-N 0 3 348.378 3.070 20 5 EGBDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000160553015 455473993 /nfs/dbraw/zinc/47/39/93/455473993.db2.gz ISYHZRHGNVJWTO-STQMWFEESA-N 0 3 337.420 3.298 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000246750407 455522277 /nfs/dbraw/zinc/52/22/77/455522277.db2.gz ZHEQIBTYSOHYJI-TZMCWYRMSA-N 0 3 348.447 3.454 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000246750389 455522707 /nfs/dbraw/zinc/52/27/07/455522707.db2.gz ZHEQIBTYSOHYJI-OCCSQVGLSA-N 0 3 348.447 3.454 20 5 EGBDHN COc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1OC ZINC000284055451 455629728 /nfs/dbraw/zinc/62/97/28/455629728.db2.gz KMZSNAMAAZPAOH-LLVKDONJSA-N 0 3 331.372 3.045 20 5 EGBDHN Cc1c([C@H](C)N[C@H](CO)C[C@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000271465072 455647418 /nfs/dbraw/zinc/64/74/18/455647418.db2.gz GQGQFCYUOATSLJ-QOKNQOGYSA-N 0 3 344.411 3.038 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCCC[C@H]1C ZINC000192623166 455655597 /nfs/dbraw/zinc/65/55/97/455655597.db2.gz XWQQPCAXSIMRSF-IUODEOHRSA-N 0 3 335.404 3.052 20 5 EGBDHN COc1ccc([C@H](O)CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192638257 455658163 /nfs/dbraw/zinc/65/81/63/455658163.db2.gz HBPUEIFTZLFETG-RBUKOAKNSA-N 0 3 342.395 3.304 20 5 EGBDHN CC[C@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000271583752 455691688 /nfs/dbraw/zinc/69/16/88/455691688.db2.gz XIWYPGONJKYBLY-JKOKRWQUSA-N 0 3 334.338 3.207 20 5 EGBDHN CC[C@@H](NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccccc1 ZINC000271725899 455736319 /nfs/dbraw/zinc/73/63/19/455736319.db2.gz XOLCAXQXLGZCEI-OAHLLOKOSA-N 0 3 343.383 3.283 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCO[C@@H]1CC(C)C ZINC000186398513 455760428 /nfs/dbraw/zinc/76/04/28/455760428.db2.gz CFDMCXZOXCYZMF-DLBZAZTESA-N 0 3 349.431 3.025 20 5 EGBDHN Cc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000187251331 455886639 /nfs/dbraw/zinc/88/66/39/455886639.db2.gz GPBSARQUYKPDHM-KDOFPFPSSA-N 0 3 341.411 3.324 20 5 EGBDHN Cc1nnc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000272808883 456075560 /nfs/dbraw/zinc/07/55/60/456075560.db2.gz MSOKCPZRPJVHGQ-GFCCVEGCSA-N 0 3 335.795 3.054 20 5 EGBDHN CCNC(=O)C(C)(C)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000272833484 456083907 /nfs/dbraw/zinc/08/39/07/456083907.db2.gz LKLYBINYSHMGDG-UHFFFAOYSA-N 0 3 330.388 3.026 20 5 EGBDHN Cc1cc(NC[C@H]2CCCN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000301422275 456110851 /nfs/dbraw/zinc/11/08/51/456110851.db2.gz FPRRMPNBRLWPAI-MRXNPFEDSA-N 0 3 326.400 3.375 20 5 EGBDHN CC(=O)c1ccc(N[C@@H]2CCN(CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301483199 456126785 /nfs/dbraw/zinc/12/67/85/456126785.db2.gz XRNGGBSGAKIAHB-MRXNPFEDSA-N 0 3 331.416 3.474 20 5 EGBDHN COC1CCN(CCNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000301525886 456137816 /nfs/dbraw/zinc/13/78/16/456137816.db2.gz HTTLYVVMJKJALU-UHFFFAOYSA-N 0 3 347.337 3.136 20 5 EGBDHN C[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000301563180 456148173 /nfs/dbraw/zinc/14/81/73/456148173.db2.gz VJSYADNDOLDQGS-GOEBONIOSA-N 0 3 326.400 3.455 20 5 EGBDHN Cc1cccc([C@@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000273039719 456156492 /nfs/dbraw/zinc/15/64/92/456156492.db2.gz DQIBNGPCXBVSMS-MJGOQNOKSA-N 0 3 326.396 3.426 20 5 EGBDHN COc1cc(NC[C@H](c2ccccc2)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000301855978 456233392 /nfs/dbraw/zinc/23/33/92/456233392.db2.gz IKUYUQBUGDFQGQ-MRXNPFEDSA-N 0 3 333.363 3.457 20 5 EGBDHN COc1cc(N[C@H]2CCN(CC3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000301930239 456253629 /nfs/dbraw/zinc/25/36/29/456253629.db2.gz NXYFRAYWMXOOOL-ZDUSSCGKSA-N 0 3 337.395 3.419 20 5 EGBDHN Cc1cc(NC[C@H](O)Cc2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302127566 456293621 /nfs/dbraw/zinc/29/36/21/456293621.db2.gz BFICYRQSJBNXNO-MRXNPFEDSA-N 0 3 337.379 3.467 20 5 EGBDHN O=[N+]([O-])c1ccccc1CN1CCN(c2ccnc3ccccc32)CC1 ZINC000347689313 456306755 /nfs/dbraw/zinc/30/67/55/456306755.db2.gz KVQHHGXXJFQAHU-UHFFFAOYSA-N 0 3 348.406 3.465 20 5 EGBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)c2ccccc21 ZINC000340307271 456377174 /nfs/dbraw/zinc/37/71/74/456377174.db2.gz SKRXTPWQXMFKDM-GFCCVEGCSA-N 0 3 328.347 3.434 20 5 EGBDHN CC1(C)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1O ZINC000276061095 456381912 /nfs/dbraw/zinc/38/19/12/456381912.db2.gz VEFUWTSMKDYCLJ-KRWDZBQOSA-N 0 3 330.384 3.448 20 5 EGBDHN O=[N+]([O-])c1cc2c(ncnc2NC[C@H]2CCCCN2C2CC2)s1 ZINC000343085148 456395637 /nfs/dbraw/zinc/39/56/37/456395637.db2.gz AZFRSWZQTSBINP-LLVKDONJSA-N 0 3 333.417 3.028 20 5 EGBDHN CCC1CCC(N(CCO)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000617070838 460732292 /nfs/dbraw/zinc/73/22/92/460732292.db2.gz NNSOKYKTRYHSFG-UHFFFAOYSA-N 0 3 347.415 3.499 20 5 EGBDHN COC(=O)C[C@@H](NCc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000347955771 456427503 /nfs/dbraw/zinc/42/75/03/456427503.db2.gz IXAOKUCWEYDSPQ-CYBMUJFWSA-N 0 3 326.418 3.258 20 5 EGBDHN CCOc1ccc([C@@H](C)NCCC(OCC)OCC)cc1[N+](=O)[O-] ZINC000276496993 456498283 /nfs/dbraw/zinc/49/82/83/456498283.db2.gz IRPASSOICYJIDU-CYBMUJFWSA-N 0 3 340.420 3.433 20 5 EGBDHN Cc1ccc([C@@H](CNc2nc3sccn3c2[N+](=O)[O-])N(C)C)cc1 ZINC000301126521 456804155 /nfs/dbraw/zinc/80/41/55/456804155.db2.gz ZHAYXDUWGPOAMK-CYBMUJFWSA-N 0 3 345.428 3.327 20 5 EGBDHN Cn1cc(CN2CC(C3CCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000348707546 456823100 /nfs/dbraw/zinc/82/31/00/456823100.db2.gz JGJMORDUNCTHRF-UHFFFAOYSA-N 0 3 326.400 3.227 20 5 EGBDHN CC[C@H](NCc1c([N+](=O)[O-])ncn1C)C12CC3CC(CC(C3)C1)C2 ZINC000356749881 457148948 /nfs/dbraw/zinc/14/89/48/457148948.db2.gz YTVUSHAPSUKPKX-IEKYFPHUSA-N 0 3 332.448 3.413 20 5 EGBDHN C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000346782588 457167320 /nfs/dbraw/zinc/16/73/20/457167320.db2.gz HJVRRRQNTVAIIF-NWDGAFQWSA-N 0 3 339.823 3.241 20 5 EGBDHN CCN1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000354444400 457226439 /nfs/dbraw/zinc/22/64/39/457226439.db2.gz ZYHDWBTWMJBHNK-NEPJUHHUSA-N 0 3 339.823 3.193 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CCC(Cc3cccnc3)CC2)c1 ZINC000357042093 457294126 /nfs/dbraw/zinc/29/41/26/457294126.db2.gz RDOXPUXDTXXYCA-UHFFFAOYSA-N 0 3 341.411 3.323 20 5 EGBDHN C[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000347296558 457337569 /nfs/dbraw/zinc/33/75/69/457337569.db2.gz FVMSAFBGZCNUJQ-NEPJUHHUSA-N 0 3 338.383 3.118 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000361045893 457539733 /nfs/dbraw/zinc/53/97/33/457539733.db2.gz ZDSVFUZXLSUHLU-CZUORRHYSA-N 0 3 343.431 3.195 20 5 EGBDHN C[C@@H]1C[C@H](c2cccnc2)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000370230873 457593555 /nfs/dbraw/zinc/59/35/55/457593555.db2.gz PPHOGMQXXMHEQY-RDTXWAMCSA-N 0 3 327.384 3.452 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000425556354 457598707 /nfs/dbraw/zinc/59/87/07/457598707.db2.gz SSYZOLUFIUDGLQ-SFHVURJKSA-N 0 3 346.427 3.255 20 5 EGBDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000361170278 457627386 /nfs/dbraw/zinc/62/73/86/457627386.db2.gz YHHWCGFXTPYFLE-UONOGXRCSA-N 0 3 329.400 3.379 20 5 EGBDHN CC[C@@H](N[C@H]1CC(=O)N(c2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000357790210 457690922 /nfs/dbraw/zinc/69/09/22/457690922.db2.gz BHUMPEMMZKSQRQ-MAUKXSAKSA-N 0 3 339.395 3.441 20 5 EGBDHN CCOc1ccc([C@H](C)NCCc2nc(C)oc2C)cc1[N+](=O)[O-] ZINC000357796058 457693386 /nfs/dbraw/zinc/69/33/86/457693386.db2.gz PFFMGXNGELJONZ-NSHDSACASA-N 0 3 333.388 3.492 20 5 EGBDHN O=C1CCC[C@@H](CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)N1 ZINC000433204784 457778234 /nfs/dbraw/zinc/77/82/34/457778234.db2.gz IBGSCXBWTVPFJS-LBPRGKRZSA-N 0 3 345.424 3.082 20 5 EGBDHN Cc1cnc(CCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nc1 ZINC000433308280 457805919 /nfs/dbraw/zinc/80/59/19/457805919.db2.gz XRJHEWZGQISCBX-MRXNPFEDSA-N 0 3 326.400 3.248 20 5 EGBDHN CCCN(CC(C)C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411203612 457829875 /nfs/dbraw/zinc/82/98/75/457829875.db2.gz RXIGOSKSZQGLSL-CYBMUJFWSA-N 0 3 337.420 3.298 20 5 EGBDHN Cc1cnc(N(CCCc2ccccc2)CCN(C)C)c([N+](=O)[O-])c1 ZINC000433789052 457886815 /nfs/dbraw/zinc/88/68/15/457886815.db2.gz CLYWUQOTVGRFRU-UHFFFAOYSA-N 0 3 342.443 3.299 20 5 EGBDHN CCc1nc([C@@H](C)N[C@@H](CC)CSc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000358254688 457891844 /nfs/dbraw/zinc/89/18/44/457891844.db2.gz ZJWMRNBCAJCFJG-NEPJUHHUSA-N 0 3 349.460 3.497 20 5 EGBDHN CC[C@H]1CCCC[C@@H]1N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000444678194 457937080 /nfs/dbraw/zinc/93/70/80/457937080.db2.gz QXDDESCARROFGL-YOEHRIQHSA-N 0 3 333.432 3.458 20 5 EGBDHN CCN(CCN1CCCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000411736245 457966322 /nfs/dbraw/zinc/96/63/22/457966322.db2.gz YGXZCSLUYHUSHI-UHFFFAOYSA-N 0 3 346.431 3.434 20 5 EGBDHN Cc1c(NC(=O)NCCN2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000444815850 457983568 /nfs/dbraw/zinc/98/35/68/457983568.db2.gz ICZFMUZQKRUSAB-UHFFFAOYSA-N 0 3 334.420 3.147 20 5 EGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412060097 458073932 /nfs/dbraw/zinc/07/39/32/458073932.db2.gz YZGXAAFZHDERBG-HUUCEWRRSA-N 0 3 331.416 3.133 20 5 EGBDHN Cc1ccc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428555940 458170023 /nfs/dbraw/zinc/17/00/23/458170023.db2.gz ALSCTYZZIOVBJS-PKOBYXMFSA-N 0 3 344.386 3.298 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H](CO)CC(F)F)s1 ZINC000428645990 458183000 /nfs/dbraw/zinc/18/30/00/458183000.db2.gz DQOIRPLEAJNBGS-SNVBAGLBSA-N 0 3 342.367 3.429 20 5 EGBDHN CCc1noc(CC)c1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578971 458314632 /nfs/dbraw/zinc/31/46/32/458314632.db2.gz IHLUTFKZXZHBLC-LSDHHAIUSA-N 0 3 347.419 3.178 20 5 EGBDHN C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000429835089 458376234 /nfs/dbraw/zinc/37/62/34/458376234.db2.gz WNHHJDYMPACBPF-CABCVRRESA-N 0 3 347.459 3.109 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448083206 458388421 /nfs/dbraw/zinc/38/84/21/458388421.db2.gz YSBPYKKTMPDLFE-INIZCTEOSA-N 0 3 348.447 3.454 20 5 EGBDHN CCCn1ccnc1CCCN(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430233176 458424983 /nfs/dbraw/zinc/42/49/83/458424983.db2.gz JSUUQWXBODPJCI-UHFFFAOYSA-N 0 3 346.431 3.275 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC2(CO)CCSCC2)o1 ZINC000459727730 458459394 /nfs/dbraw/zinc/45/93/94/458459394.db2.gz NATAIBNTUPZARR-UHFFFAOYSA-N 0 3 348.424 3.203 20 5 EGBDHN COc1cc(CN[C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000459781382 458477740 /nfs/dbraw/zinc/47/77/40/458477740.db2.gz NRMSWLIPTFCLNM-USWWRNFRSA-N 0 3 342.342 3.483 20 5 EGBDHN COC(=O)[C@H]1CC12CCN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000470177646 458620778 /nfs/dbraw/zinc/62/07/78/458620778.db2.gz SSNCRTWLWLLUQH-OOXMNIKJSA-N 0 3 344.411 3.273 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCS[C@@H]2COCC[C@H]21 ZINC000470178872 458621521 /nfs/dbraw/zinc/62/15/21/458621521.db2.gz PBRWEVTZYYSFOF-WZFZXHKMSA-N 0 3 334.441 3.204 20 5 EGBDHN COc1ccc(-c2ccc(CN3CCC[C@@]3(C)CO)o2)c([N+](=O)[O-])c1 ZINC000530389856 458758696 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ZINC000848549856 1321974218 /nfs/dbraw/zinc/97/42/18/1321974218.db2.gz WATFITWPHWXTBH-SMDDNHRTSA-N 0 3 335.404 3.085 20 5 EGBDHN COC(=O)Cc1ccccc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000848570629 1321977612 /nfs/dbraw/zinc/97/76/12/1321977612.db2.gz AKPORZQSFPJMEA-CYBMUJFWSA-N 0 3 328.368 3.161 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)[C@H](O)c1ccccc1 ZINC000850469532 1322254478 /nfs/dbraw/zinc/25/44/78/1322254478.db2.gz RXELHDFCMKFKMB-JCGVRSQUSA-N 0 3 330.384 3.376 20 5 EGBDHN C[C@@H](NC[C@@H](O)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000850583993 1322274187 /nfs/dbraw/zinc/27/41/87/1322274187.db2.gz PMCSECBBLVFQRP-RFAUZJTJSA-N 0 3 340.301 3.396 20 5 EGBDHN CN(Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)CC2CC2)CC1 ZINC001029925123 1341121873 /nfs/dbraw/zinc/12/18/73/1341121873.db2.gz DZNBODITMWCBMM-UHFFFAOYSA-N 0 3 345.443 3.065 20 5 EGBDHN COc1cccc2cc(CNC[C@H](O)c3ccc([N+](=O)[O-])cc3)oc21 ZINC001326146566 1388119590 /nfs/dbraw/zinc/11/95/90/1388119590.db2.gz MKTZMKMWUIYPID-INIZCTEOSA-N 0 3 342.351 3.173 20 5 EGBDHN CC(C)=CC(=O)NC1CC2(CC(NCc3csc([N+](=O)[O-])c3)C2)C1 ZINC001120570874 1371615893 /nfs/dbraw/zinc/61/58/93/1371615893.db2.gz NTOFUWUQXSBUPV-UHFFFAOYSA-N 0 3 349.456 3.140 20 5 EGBDHN CCCn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1 ZINC001123133820 1372386043 /nfs/dbraw/zinc/38/60/43/1372386043.db2.gz PJYIPPVDTDGAKU-MLGOLLRUSA-N 0 3 349.362 3.304 20 5 EGBDHN O=[N+]([O-])c1cc2[n-]c(O[C@H]3CCC[C@@]34CC[NH2+]C4)nc2cc1Cl ZINC001218097967 1373560165 /nfs/dbraw/zinc/56/01/65/1373560165.db2.gz WKGQJKOWMPUNHB-ZFWWWQNUSA-N 0 3 336.779 3.036 20 5 EGBDHN CO[C@@H]1CCN(CCOc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226515911 1375272931 /nfs/dbraw/zinc/27/29/31/1375272931.db2.gz XBDCOZRWDXEHOY-OAHLLOKOSA-N 0 3 339.391 3.046 20 5 EGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226752078 1375325228 /nfs/dbraw/zinc/32/52/28/1375325228.db2.gz XITBECRISSHZJD-SUMWQHHRSA-N 0 3 345.374 3.418 20 5 EGBDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226755943 1375325577 /nfs/dbraw/zinc/32/55/77/1375325577.db2.gz NHRZLKJEMSTTRF-GUYCJALGSA-N 0 3 345.374 3.418 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001227183832 1375404056 /nfs/dbraw/zinc/40/40/56/1375404056.db2.gz XAIQDUSVLHVIEY-INIZCTEOSA-N 0 3 328.368 3.257 20 5 EGBDHN CCN1CCC[C@@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001227603099 1375451161 /nfs/dbraw/zinc/45/11/61/1375451161.db2.gz DBQXMYYRGHVIMI-LLVKDONJSA-N 0 3 334.294 3.357 20 5 EGBDHN C[C@@H](C[N+](C)(C)C)Oc1nc(=S)[n-]c2sc3c(c21)CCCC3 ZINC001229287209 1375800862 /nfs/dbraw/zinc/80/08/62/1375800862.db2.gz GRISGOWKSFJBDD-JTQLQIEISA-O 0 3 338.522 3.332 20 5 EGBDHN Cc1cc(Cl)c([N+](=O)[O-])c(-n2c3ccccc3nc2[C@H](C)N)n1 ZINC001155247576 1380428912 /nfs/dbraw/zinc/42/89/12/1380428912.db2.gz JNEQPOXAZUERLJ-VIFPVBQESA-N 0 3 331.763 3.310 20 5 EGBDHN CC(C)(C)CCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155702076 1380484624 /nfs/dbraw/zinc/48/46/24/1380484624.db2.gz OSTKIMKCQLAHHF-UHFFFAOYSA-N 0 3 335.448 3.407 20 5 EGBDHN Cc1cc(Cl)c([N+](=O)[O-])c(N2CCN[C@H](c3ccccc3)C2)n1 ZINC001157759907 1381024683 /nfs/dbraw/zinc/02/46/83/1381024683.db2.gz WKSGPBVNXIMNCH-AWEZNQCLSA-N 0 3 332.791 3.103 20 5 EGBDHN C[C@@H](N)c1ccn(-c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n1 ZINC001158357206 1381216033 /nfs/dbraw/zinc/21/60/33/1381216033.db2.gz XUCIGXLGZWICDU-SNVBAGLBSA-N 0 3 327.319 3.001 20 5 EGBDHN CN1CCC(N(c2nccc(Cl)c2[N+](=O)[O-])C2CCCC2)CC1 ZINC001158485696 1381263978 /nfs/dbraw/zinc/26/39/78/1381263978.db2.gz PTNMPFONHOBFDH-UHFFFAOYSA-N 0 3 338.839 3.486 20 5 EGBDHN CC(C)(Nc1cc2c(cc1[N+](=O)[O-])CNC2)C(=O)c1ccccc1 ZINC001162638127 1382818040 /nfs/dbraw/zinc/81/80/40/1382818040.db2.gz SXRCYDWJQSCHFP-UHFFFAOYSA-N 0 3 325.368 3.271 20 5 EGBDHN C[C@@H](N)c1nc2ccccc2n1-c1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001162778053 1382869960 /nfs/dbraw/zinc/86/99/60/1382869960.db2.gz XMQBCRSGZCLHAF-LLVKDONJSA-N 0 3 325.372 3.019 20 5 EGBDHN Cc1cc(N2CCN(C(C)(C)C)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC001165087880 1383226233 /nfs/dbraw/zinc/22/62/33/1383226233.db2.gz JTHYOZOAXHHLCH-UHFFFAOYSA-N 0 3 328.416 3.372 20 5 EGBDHN Clc1ccc2ccc3ccc(-n4ncc5c4CCNC5)nc3c2n1 ZINC001165219532 1383251902 /nfs/dbraw/zinc/25/19/02/1383251902.db2.gz UTRQQFHGUKADTD-UHFFFAOYSA-N 0 3 335.798 3.268 20 5 EGBDHN CCc1ccccc1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001165328295 1383274271 /nfs/dbraw/zinc/27/42/71/1383274271.db2.gz SBVLKJKTKYKWIU-UHFFFAOYSA-N 0 3 347.440 3.128 20 5 EGBDHN COc1ccc(C[C@H](C)NCc2cc(Cl)ccn2)c([N+](=O)[O-])c1 ZINC001170298546 1384285091 /nfs/dbraw/zinc/28/50/91/1384285091.db2.gz LXLMWDKAYBGBFQ-NSHDSACASA-N 0 3 335.791 3.373 20 5 EGBDHN COc1ccc(C[C@H](C)N[C@@H](C)c2ccc(F)cn2)c([N+](=O)[O-])c1 ZINC001170307466 1384287090 /nfs/dbraw/zinc/28/70/90/1384287090.db2.gz GEHWQCHXICEISD-RYUDHWBXSA-N 0 3 333.363 3.419 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(OC2CCC2)ncn1 ZINC001173226568 1384939655 /nfs/dbraw/zinc/93/96/55/1384939655.db2.gz XTLXXJMZMWHWIQ-ZDUSSCGKSA-N 0 3 342.399 3.037 20 5 EGBDHN CCc1nnc(C2CCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC001173234211 1384941966 /nfs/dbraw/zinc/94/19/66/1384941966.db2.gz PVXJDJUFTDUTPO-ZDUSSCGKSA-N 0 3 344.415 3.351 20 5 EGBDHN Cc1ccc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC001175106134 1385195804 /nfs/dbraw/zinc/19/58/04/1385195804.db2.gz PWRHBAILPPUYMC-UHFFFAOYSA-N 0 3 341.411 3.121 20 5 EGBDHN O=C(NCCCCCCNCc1csc([N+](=O)[O-])c1)C1CCC1 ZINC001177730875 1386030110 /nfs/dbraw/zinc/03/01/10/1386030110.db2.gz YWHWGTUYWDJLNC-UHFFFAOYSA-N 0 3 339.461 3.223 20 5 EGBDHN Cc1c([C@H](C)NCCC(=O)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001320668752 1386685834 /nfs/dbraw/zinc/68/58/34/1386685834.db2.gz CUIRJZOXCPGDOM-HIFRSBDPSA-N 0 3 333.432 3.202 20 5 EGBDHN C[C@@H](NCc1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCOC1 ZINC001334772341 1390585408 /nfs/dbraw/zinc/58/54/08/1390585408.db2.gz NEGWDMRWZQLVGQ-MNOVXSKESA-N 0 3 343.221 3.262 20 5 EGBDHN CC([C@H](OC(=O)c1cnn(C2CCC2)c1)c1ccccc1F)[N+](=O)[O-] ZINC001346535738 1390950727 /nfs/dbraw/zinc/95/07/27/1390950727.db2.gz OXIHXADOFLSSFC-ZBEGNZNMSA-N 0 3 347.346 3.311 20 5 EGBDHN CC(C)n1ccc(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC001348738929 1391259602 /nfs/dbraw/zinc/25/96/02/1391259602.db2.gz XDTYCRLITBNYON-SJCJKPOMSA-N 0 3 349.362 3.095 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](CO)Cc1ccc(F)cc1 ZINC000893998789 1126125897 /nfs/dbraw/zinc/12/58/97/1126125897.db2.gz AHKJUDXUPPLSKM-HNNXBMFYSA-N 0 3 338.766 3.081 20 5 EGBDHN O=[N+]([O-])c1cc(Br)ccc1NCCN1CCCCC1 ZINC000049575307 201112407 /nfs/dbraw/zinc/11/24/07/201112407.db2.gz VKXZPILRJKIAJQ-UHFFFAOYSA-N 0 3 328.210 3.255 20 5 EGBDHN C[C@H]1C[C@H](c2cccnc2)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000359870418 201114832 /nfs/dbraw/zinc/11/48/32/201114832.db2.gz IVQVHENQYUGEDK-WMLDXEAASA-N 0 3 327.384 3.452 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281964712 201326870 /nfs/dbraw/zinc/32/68/70/201326870.db2.gz RBHOGMGFVBDWOH-OCCSQVGLSA-N 0 3 332.429 3.374 20 5 EGBDHN CO[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000072925181 203251677 /nfs/dbraw/zinc/25/16/77/203251677.db2.gz UFBRNRQXOPHUSC-MRXNPFEDSA-N 0 3 346.431 3.146 20 5 EGBDHN Cc1nc(C)n(C[C@@H]2CCCN([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000105885035 204177350 /nfs/dbraw/zinc/17/73/50/204177350.db2.gz AXIVKAFRKFZSPP-XJKSGUPXSA-N 0 3 343.431 3.276 20 5 EGBDHN O=C(CCCNCc1csc([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000111409368 204355531 /nfs/dbraw/zinc/35/55/31/204355531.db2.gz SZVMJLVZUDZMKO-UHFFFAOYSA-N 0 3 345.424 3.115 20 5 EGBDHN O=[N+]([O-])c1ccccc1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000264324481 246352027 /nfs/dbraw/zinc/35/20/27/246352027.db2.gz WABOTSQYIDCQKW-UHFFFAOYSA-N 0 3 341.411 3.164 20 5 EGBDHN Cc1ccc(CN(CCn2cc([N+](=O)[O-])ccc2=O)C(C)C)s1 ZINC000159775702 206262353 /nfs/dbraw/zinc/26/23/53/206262353.db2.gz IDCWMDCVNZKSRJ-UHFFFAOYSA-N 0 3 335.429 3.037 20 5 EGBDHN C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000266158501 248138222 /nfs/dbraw/zinc/13/82/22/248138222.db2.gz MRDZAWHFSYGSTK-WCQYABFASA-N 0 3 333.413 3.233 20 5 EGBDHN CC(C)(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCCC1 ZINC000338056367 141084219 /nfs/dbraw/zinc/08/42/19/141084219.db2.gz VCDPKOPKDKAGIH-UHFFFAOYSA-N 0 3 345.399 3.335 20 5 EGBDHN COc1ccc([C@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000341214847 141139346 /nfs/dbraw/zinc/13/93/46/141139346.db2.gz UGRGCSXDYFHKNB-ZDUSSCGKSA-N 0 3 343.383 3.283 20 5 EGBDHN O=[N+]([O-])c1ccc(CNCCc2nc(-c3ccncc3)cs2)cc1 ZINC000344558596 141173361 /nfs/dbraw/zinc/17/33/61/141173361.db2.gz XSYKGJHNZCIKKE-UHFFFAOYSA-N 0 3 340.408 3.446 20 5 EGBDHN C[C@@H]1CCCC[C@H]1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000346212215 141181678 /nfs/dbraw/zinc/18/16/78/141181678.db2.gz WSVDBHHJKSFTQG-WBVHZDCISA-N 0 3 345.443 3.179 20 5 EGBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000232462356 153446929 /nfs/dbraw/zinc/44/69/29/153446929.db2.gz QKKPQFYINDZCKX-OCCSQVGLSA-N 0 3 341.205 3.014 20 5 EGBDHN C[C@@H](c1ccccc1)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000302640374 154026943 /nfs/dbraw/zinc/02/69/43/154026943.db2.gz ZXGYZTPCCIBOTB-YOEHRIQHSA-N 0 3 330.384 3.028 20 5 EGBDHN O=[N+]([O-])c1ccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000340050111 155083612 /nfs/dbraw/zinc/08/36/12/155083612.db2.gz REIYNWAXDCTXOE-IBGZPJMESA-N 0 3 342.395 3.265 20 5 EGBDHN CN(C)[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000110166606 162120835 /nfs/dbraw/zinc/12/08/35/162120835.db2.gz ZIHMAWUJPBZNGE-HNNXBMFYSA-N 0 3 347.802 3.281 20 5 EGBDHN CC[C@H](C)[C@](C)(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000112380186 162174455 /nfs/dbraw/zinc/17/44/55/162174455.db2.gz UCENCFKNLNNIOW-ZUZCIYMTSA-N 0 3 332.347 3.083 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@@H]3CCCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000114215880 162224384 /nfs/dbraw/zinc/22/43/84/162224384.db2.gz RYWZTGWWBFOXPS-NVXWUHKLSA-N 0 3 346.383 3.257 20 5 EGBDHN CC[C@@H](NCCC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000129124360 162347326 /nfs/dbraw/zinc/34/73/26/162347326.db2.gz FZCOOWVQFJPYPN-QGZVFWFLSA-N 0 3 333.432 3.428 20 5 EGBDHN CC[C@@H](NCc1ccc(NC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000130944961 162386377 /nfs/dbraw/zinc/38/63/77/162386377.db2.gz PMVQNXFKVBKDLU-MRXNPFEDSA-N 0 3 328.372 3.326 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H](CO)CC3CCC3)o2)c1 ZINC000355561100 166244913 /nfs/dbraw/zinc/24/49/13/166244913.db2.gz HSWXVZBHKQDBPH-HNNXBMFYSA-N 0 3 330.384 3.496 20 5 EGBDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000359555657 167191436 /nfs/dbraw/zinc/19/14/36/167191436.db2.gz KYGWIXAGXKKYEI-BBRMVZONSA-N 0 3 345.399 3.355 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(NC[C@H](C)N2CCc3ccccc3C2)c1 ZINC000360516352 167347067 /nfs/dbraw/zinc/34/70/67/167347067.db2.gz FCDNDXVUBZPHRC-AWEZNQCLSA-N 0 3 341.411 3.462 20 5 EGBDHN C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173411150 264979060 /nfs/dbraw/zinc/97/90/60/264979060.db2.gz HWKAPNHOSRGQPF-JSGCOSHPSA-N 0 3 335.404 3.255 20 5 EGBDHN COc1ccc(OCCN(C)CCc2cccs2)c([N+](=O)[O-])c1 ZINC000174158503 265027857 /nfs/dbraw/zinc/02/78/57/265027857.db2.gz MIHVMGYRZZFANE-UHFFFAOYSA-N 0 3 336.413 3.218 20 5 EGBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345680596 287681036 /nfs/dbraw/zinc/68/10/36/287681036.db2.gz FQCYWAHXMOEACX-PBFPGSCMSA-N 0 3 349.456 3.042 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CCN(c3ccccn3)C1)CCC2 ZINC000249044190 275038040 /nfs/dbraw/zinc/03/80/40/275038040.db2.gz VOUGHZZBIGJZMI-QAPCUYQASA-N 0 3 338.411 3.236 20 5 EGBDHN COc1ccc(CNCCCN(C)c2ccccc2)cc1[N+](=O)[O-] ZINC000119398985 275189964 /nfs/dbraw/zinc/18/99/64/275189964.db2.gz XKNATPHJDOMJKL-UHFFFAOYSA-N 0 3 329.400 3.220 20 5 EGBDHN COc1cc(N2CCCN(C3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271069779 275237683 /nfs/dbraw/zinc/23/76/83/275237683.db2.gz DUWROFIXWRPCGC-UHFFFAOYSA-N 0 3 337.395 3.197 20 5 EGBDHN CCOc1ccc([C@H](C)NCC2([C@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271919226 275241558 /nfs/dbraw/zinc/24/15/58/275241558.db2.gz ZPMDWKONPVVXTQ-SUMWQHHRSA-N 0 3 336.432 3.441 20 5 EGBDHN COc1ccc(CN[C@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000279660071 275347525 /nfs/dbraw/zinc/34/75/25/275347525.db2.gz DCZGCSMRZLVQPY-XOKHGSTOSA-N 0 3 332.400 3.041 20 5 EGBDHN C[C@H](C[C@@H](O)c1ccc(F)cc1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285306351 275863449 /nfs/dbraw/zinc/86/34/49/275863449.db2.gz SHAJVFISQOQCAW-FTLABTOESA-N 0 3 347.390 3.479 20 5 EGBDHN CSc1ccc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287202686 276095965 /nfs/dbraw/zinc/09/59/65/276095965.db2.gz PKUQBOSVFYYCNM-GXTWGEPZSA-N 0 3 349.456 3.016 20 5 EGBDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000287359155 276111941 /nfs/dbraw/zinc/11/19/41/276111941.db2.gz WRGWLNNEKRNFQV-IUODEOHRSA-N 0 3 343.383 3.040 20 5 EGBDHN CCN(CC)[C@H](CNc1c([N+](=O)[O-])nc(C)n1CC)c1ccco1 ZINC000288187664 276189389 /nfs/dbraw/zinc/18/93/89/276189389.db2.gz RQJGRZKOEJSSTM-CYBMUJFWSA-N 0 3 335.408 3.208 20 5 EGBDHN Cc1c(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000067209507 280212974 /nfs/dbraw/zinc/21/29/74/280212974.db2.gz AZJNCYBVAHPMIH-OAHLLOKOSA-N 0 3 339.395 3.036 20 5 EGBDHN CC(C)c1ccc(C(=O)N2CCC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000363878709 280593506 /nfs/dbraw/zinc/59/35/06/280593506.db2.gz ARLZQCIAVVECDO-INIZCTEOSA-N 0 3 345.443 3.419 20 5 EGBDHN CCC(=O)c1ccc(N2CC[C@@]3(C2)CCCN(C)C3)c([N+](=O)[O-])c1 ZINC000292842563 308071476 /nfs/dbraw/zinc/07/14/76/308071476.db2.gz QQJYQMGACODLSI-SFHVURJKSA-N 0 3 331.416 3.110 20 5 EGBDHN C[C@H](C[C@H](O)c1ccccc1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294776645 308255846 /nfs/dbraw/zinc/25/58/46/308255846.db2.gz NONXHMUCIFZRJS-VBHSOAQHSA-N 0 3 329.400 3.340 20 5 EGBDHN Cn1cc(CN2CCC(CF)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000294962928 308276690 /nfs/dbraw/zinc/27/66/90/308276690.db2.gz DZYZUFLINRDEIW-UHFFFAOYSA-N 0 3 332.379 3.177 20 5 EGBDHN C[C@H]1CN(CCCNc2nccc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000295075367 308288368 /nfs/dbraw/zinc/28/83/68/308288368.db2.gz QPJBRPQWIRUOPY-AWEZNQCLSA-N 0 3 344.415 3.056 20 5 EGBDHN C[C@H](c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295592965 308341785 /nfs/dbraw/zinc/34/17/85/308341785.db2.gz MQTCIBSQGACSKU-KGLIPLIRSA-N 0 3 333.432 3.269 20 5 EGBDHN CCN1CCC(N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000332151976 308828238 /nfs/dbraw/zinc/82/82/38/308828238.db2.gz IXFINWFWAYEAFR-UHFFFAOYSA-N 0 3 347.440 3.366 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCN(CC2CCC2)CC1 ZINC000422091534 309354590 /nfs/dbraw/zinc/35/45/90/309354590.db2.gz DZGRBTUOVZVPEG-UHFFFAOYSA-N 0 3 345.443 3.160 20 5 EGBDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000429316808 309578229 /nfs/dbraw/zinc/57/82/29/309578229.db2.gz XBQIEINMBJCCSS-JKSUJKDBSA-N 0 3 340.395 3.426 20 5 EGBDHN CCO[C@@H]1COCC[C@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433235131 309682988 /nfs/dbraw/zinc/68/29/88/309682988.db2.gz MJFKOLVRBWNQTB-IXDOHACOSA-N 0 3 334.416 3.101 20 5 EGBDHN CCCCNC(=O)C1(NCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000440897940 309858001 /nfs/dbraw/zinc/85/80/01/309858001.db2.gz WAAFNGRCXAOUQM-UHFFFAOYSA-N 0 3 347.459 3.346 20 5 EGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc(F)cc2F)n1 ZINC000447539082 309981258 /nfs/dbraw/zinc/98/12/58/309981258.db2.gz FLQCVWNGCOXBGL-CABCVRRESA-N 0 3 336.342 3.343 20 5 EGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc2c1OCCCO2 ZINC000449197244 310043983 /nfs/dbraw/zinc/04/39/83/310043983.db2.gz VGXVDEMSBZMYLD-AWEZNQCLSA-N 0 3 342.395 3.477 20 5 EGBDHN CC[C@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@@H](C)O ZINC000449534606 310069895 /nfs/dbraw/zinc/06/98/95/310069895.db2.gz CMWRVFLMAVUSLT-ABAIWWIYSA-N 0 3 334.372 3.112 20 5 EGBDHN C[C@@H](Cc1cnn(C)c1)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449593530 310074472 /nfs/dbraw/zinc/07/44/72/310074472.db2.gz ZYLKYKAHOSOIBY-ZDUSSCGKSA-N 0 3 340.383 3.309 20 5 EGBDHN CC(C)(O)C(C)(C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449719096 310082439 /nfs/dbraw/zinc/08/24/39/310082439.db2.gz GYQOCUCTZGHHEG-UHFFFAOYSA-N 0 3 332.347 3.083 20 5 EGBDHN CN1CC[C@]2(CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)C2)C1 ZINC000450539504 310128832 /nfs/dbraw/zinc/12/88/32/310128832.db2.gz KHTVPFFRRPTPNG-KRWDZBQOSA-N 0 3 344.440 3.250 20 5 EGBDHN CCC[C@@H](NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000451435192 310178419 /nfs/dbraw/zinc/17/84/19/310178419.db2.gz JAODLSDZPSHCFA-OAHLLOKOSA-N 0 3 342.461 3.173 20 5 EGBDHN CCOc1cc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000451482585 310180448 /nfs/dbraw/zinc/18/04/48/310180448.db2.gz WFCAMMGAYSCNLS-XYPHTWIQSA-N 0 3 334.416 3.287 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451505211 310181658 /nfs/dbraw/zinc/18/16/58/310181658.db2.gz SPFBPVFUBKZQJD-NXHRZFHOSA-N 0 3 346.427 3.429 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451621791 310189880 /nfs/dbraw/zinc/18/98/80/310189880.db2.gz XXAZUDWCTYCUFC-SJORKVTESA-N 0 3 346.427 3.385 20 5 EGBDHN CC(C)N1CC[C@@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000452116526 310213190 /nfs/dbraw/zinc/21/31/90/310213190.db2.gz NFZBADUQYBDWPY-QGZVFWFLSA-N 0 3 344.415 3.164 20 5 EGBDHN O=C(CCN1CC(C2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000453029491 310253366 /nfs/dbraw/zinc/25/33/66/310253366.db2.gz XEWIPTAQSCFITA-UHFFFAOYSA-N 0 3 331.416 3.436 20 5 EGBDHN C[C@@H](Cc1cnccn1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000453214386 310264503 /nfs/dbraw/zinc/26/45/03/310264503.db2.gz JRDRXQONRYYXPN-JTQLQIEISA-N 0 3 340.305 3.124 20 5 EGBDHN Cc1ccc(C[C@H](CO)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000453451762 310277780 /nfs/dbraw/zinc/27/77/80/310277780.db2.gz RVJRJMHYBIUTEF-CRAIPNDOSA-N 0 3 328.412 3.466 20 5 EGBDHN C[C@H](O)[C@](C)(CNCc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000480465493 310895043 /nfs/dbraw/zinc/89/50/43/310895043.db2.gz DVUKFJUFGLDOKZ-LIRRHRJNSA-N 0 3 346.402 3.453 20 5 EGBDHN C[C@@H](N[C@@H](COC(N)=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000496159589 311670709 /nfs/dbraw/zinc/67/07/09/311670709.db2.gz PCYWMQUYKZEUMZ-CZUORRHYSA-N 0 3 343.383 3.366 20 5 EGBDHN C[C@H](CNC(=O)OC(C)(C)C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000496429090 311711457 /nfs/dbraw/zinc/71/14/57/311711457.db2.gz HUBLMKUMJOSFDO-RISCZKNCSA-N 0 3 335.404 3.085 20 5 EGBDHN CN(CCC(=O)c1ccc(F)cc1)CCc1ccccc1[N+](=O)[O-] ZINC000511120790 312155212 /nfs/dbraw/zinc/15/52/12/312155212.db2.gz DMFGNVBGNQXKDR-UHFFFAOYSA-N 0 3 330.359 3.481 20 5 EGBDHN C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1[C@H](C)CC[C@@H]1C ZINC000515430656 312282513 /nfs/dbraw/zinc/28/25/13/312282513.db2.gz GGJFLAQTCXWUNY-ZNMIVQPWSA-N 0 3 345.443 3.347 20 5 EGBDHN COc1ccc2c(c1)CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)CC2 ZINC000535551209 314052101 /nfs/dbraw/zinc/05/21/01/314052101.db2.gz ZIMVYRIMDMOYJY-UHFFFAOYSA-N 0 3 342.395 3.213 20 5 EGBDHN C[C@@H](O)CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000536649125 314134336 /nfs/dbraw/zinc/13/43/36/314134336.db2.gz GAQVOVMPAVOBKV-AYAUWGRQSA-N 0 3 326.396 3.491 20 5 EGBDHN C[C@]1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCCc2ccccc21 ZINC000538708033 314267766 /nfs/dbraw/zinc/26/77/66/314267766.db2.gz IYZQMGHOCOAZKU-IBGZPJMESA-N 0 3 339.395 3.375 20 5 EGBDHN Cc1ccc(C(=O)NCCN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000539067769 314294107 /nfs/dbraw/zinc/29/41/07/314294107.db2.gz IMQXOTLORWJKSZ-HNNXBMFYSA-N 0 3 341.411 3.292 20 5 EGBDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000551721005 315165154 /nfs/dbraw/zinc/16/51/54/315165154.db2.gz KRPXZZUGNQNUAX-KSSFIOAISA-N 0 3 342.395 3.105 20 5 EGBDHN CCc1ccc(C(=O)N(CC)CCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000553801297 315283129 /nfs/dbraw/zinc/28/31/29/315283129.db2.gz FMFAXOMLUSAHAH-UHFFFAOYSA-N 0 3 347.459 3.495 20 5 EGBDHN CC[C@H](C)[C@H](C)N(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000554331011 315310620 /nfs/dbraw/zinc/31/06/20/315310620.db2.gz HZSHDIXPJFVNCS-KBPBESRZSA-N 0 3 345.443 3.383 20 5 EGBDHN C[C@@H](N[C@@H]1CCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000554406661 315316227 /nfs/dbraw/zinc/31/62/27/315316227.db2.gz DRUACKLAMMNCMZ-NOZJJQNGSA-N 0 3 325.796 3.353 20 5 EGBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@H](c1ccccc1)N(C)C ZINC000558607870 315583149 /nfs/dbraw/zinc/58/31/49/315583149.db2.gz BYWVXDHOSGIIQD-APPDUMDISA-N 0 3 332.379 3.419 20 5 EGBDHN CC(C)Oc1nc(N2CCC[C@@H]2CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000570645546 317087034 /nfs/dbraw/zinc/08/70/34/317087034.db2.gz HHGBCHGXEWOTKF-OAHLLOKOSA-N 0 3 348.447 3.232 20 5 EGBDHN COC[C@H](Cc1ccccc1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570738881 317100207 /nfs/dbraw/zinc/10/02/07/317100207.db2.gz GNMRXRRYXUEUPB-YJBOKZPZSA-N 0 3 326.396 3.429 20 5 EGBDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000570831507 317114788 /nfs/dbraw/zinc/11/47/88/317114788.db2.gz MHFFEKUOONGISL-KSSFIOAISA-N 0 3 342.395 3.105 20 5 EGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000184756729 323674950 /nfs/dbraw/zinc/67/49/50/323674950.db2.gz NHZWUVIORSEYOT-FUHWJXTLSA-N 0 3 347.459 3.106 20 5 EGBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000194005426 323847966 /nfs/dbraw/zinc/84/79/66/323847966.db2.gz UMIXXSCWLAELLE-GXTWGEPZSA-N 0 3 335.404 3.100 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1NC1CCN(Cc2ccccc2)CC1 ZINC000264482084 455221968 /nfs/dbraw/zinc/22/19/68/455221968.db2.gz QKHJUTSKYXVFEP-UHFFFAOYSA-N 0 3 326.400 3.375 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CCC[C@@H]3CCO)o2)cc1 ZINC000189978129 455264961 /nfs/dbraw/zinc/26/49/61/455264961.db2.gz CPRRZANJKPCGNP-DYVFJYSZSA-N 0 3 330.384 3.496 20 5 EGBDHN Cc1c(NC(=O)CCN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000026157371 453793320 /nfs/dbraw/zinc/79/33/20/453793320.db2.gz PNNCTJCORIAFAQ-UHFFFAOYSA-N 0 3 327.384 3.364 20 5 EGBDHN O=[N+]([O-])c1cccc(CN(CCc2ccccc2)[C@@H]2CCOC2)c1 ZINC000084133302 453971489 /nfs/dbraw/zinc/97/14/89/453971489.db2.gz CIJDDWCVYCUCPL-LJQANCHMSA-N 0 3 326.396 3.428 20 5 EGBDHN O=C(CN1CCC[C@@H]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000055927442 454026183 /nfs/dbraw/zinc/02/61/83/454026183.db2.gz IEPGHMKUZZBYDX-QGZVFWFLSA-N 0 3 343.427 3.139 20 5 EGBDHN C[C@@H](NC(=O)NCC(C)(C)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000056371842 454054942 /nfs/dbraw/zinc/05/49/42/454054942.db2.gz IWXJPSXSZREIAD-CQSZACIVSA-N 0 3 348.447 3.220 20 5 EGBDHN O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)NC1CCCC1 ZINC000130201738 454181325 /nfs/dbraw/zinc/18/13/25/454181325.db2.gz MYHKZRCHFCFNOC-UHFFFAOYSA-N 0 3 331.416 3.008 20 5 EGBDHN Cc1ccnc(N2CC[C@@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000078506576 454266820 /nfs/dbraw/zinc/26/68/20/454266820.db2.gz SQWZSEDQTGMWHG-MRXNPFEDSA-N 0 3 326.400 3.009 20 5 EGBDHN COc1cccc([C@H](CNc2ncc([N+](=O)[O-])cc2C)N(C)C)c1 ZINC000072062622 454270404 /nfs/dbraw/zinc/27/04/04/454270404.db2.gz PRLQZODNHKOTNH-INIZCTEOSA-N 0 3 330.388 3.022 20 5 EGBDHN Cc1c(NC(=O)CCN2C[C@@H](C)S[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000072769747 454337809 /nfs/dbraw/zinc/33/78/09/454337809.db2.gz ZWDFJISDBFEXGW-TXEJJXNPSA-N 0 3 337.445 3.058 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCC[C@H](C)C1 ZINC000073618481 454458610 /nfs/dbraw/zinc/45/86/10/454458610.db2.gz VEFKNUPPZXBDNP-QWHCGFSZSA-N 0 3 335.404 3.052 20 5 EGBDHN COc1ccc(-c2ccc(CNC[C@H]3CCCO3)o2)c([N+](=O)[O-])c1 ZINC000102419580 454504181 /nfs/dbraw/zinc/50/41/81/454504181.db2.gz GKRDHIGZGVGMDT-CYBMUJFWSA-N 0 3 332.356 3.132 20 5 EGBDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000064995139 454522709 /nfs/dbraw/zinc/52/27/09/454522709.db2.gz BFKZMJUQSVRDLI-ZBFHGGJFSA-N 0 3 333.432 3.112 20 5 EGBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000065140893 454531851 /nfs/dbraw/zinc/53/18/51/454531851.db2.gz BTPOSXAGZKPHKR-WMLDXEAASA-N 0 3 339.395 3.160 20 5 EGBDHN CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000093501934 454719014 /nfs/dbraw/zinc/71/90/14/454719014.db2.gz BURZQSQJVACOHM-MRXNPFEDSA-N 0 3 346.456 3.323 20 5 EGBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000161987033 454743078 /nfs/dbraw/zinc/74/30/78/454743078.db2.gz CWFKIZZLNVFUTR-OAHLLOKOSA-N 0 3 333.432 3.288 20 5 EGBDHN C[C@H](O)[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000136844885 454758892 /nfs/dbraw/zinc/75/88/92/454758892.db2.gz IZVBJMLNHMWISC-DZGCQCFKSA-N 0 3 330.384 3.448 20 5 EGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153244317 454774919 /nfs/dbraw/zinc/77/49/19/454774919.db2.gz UIDZSPWBKOEEPF-FPMFFAJLSA-N 0 3 328.372 3.438 20 5 EGBDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000144761120 454850428 /nfs/dbraw/zinc/85/04/28/454850428.db2.gz MISMKMAVYPCVOG-GDBMZVCRSA-N 0 3 333.432 3.112 20 5 EGBDHN Cc1ccc(C(=O)NCCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000178642067 454966288 /nfs/dbraw/zinc/96/62/88/454966288.db2.gz IMMZDXBFPCSVDH-ZDUSSCGKSA-N 0 3 345.374 3.123 20 5 EGBDHN CCOc1ccc([C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000245510508 455318194 /nfs/dbraw/zinc/31/81/94/455318194.db2.gz WJTAXYZHMRESAC-XYZKALLWSA-N 0 3 334.416 3.458 20 5 EGBDHN C[C@H](c1ccc(F)cc1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182199283 455459430 /nfs/dbraw/zinc/45/94/30/455459430.db2.gz KMVAIAXBMYNGEP-CJNGLKHVSA-N 0 3 348.374 3.167 20 5 EGBDHN Cc1ccccc1C[C@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191561170 455496717 /nfs/dbraw/zinc/49/67/17/455496717.db2.gz UJVAIPKAGBIKEN-MAUKXSAKSA-N 0 3 328.412 3.466 20 5 EGBDHN C[C@@H](O)[C@@](C)(CNCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000191711899 455512020 /nfs/dbraw/zinc/51/20/20/455512020.db2.gz RAXNKPOYHDYZGM-DNVCBOLYSA-N 0 3 328.412 3.314 20 5 EGBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284050668 455629840 /nfs/dbraw/zinc/62/98/40/455629840.db2.gz PUBNGWJVFYOBMG-NSHDSACASA-N 0 3 340.811 3.054 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)c1ccc(F)cc1)CCC2 ZINC000192637335 455658665 /nfs/dbraw/zinc/65/86/65/455658665.db2.gz BBMOUNRPOLVFEP-ZWKOTPCHSA-N 0 3 330.359 3.435 20 5 EGBDHN CCOc1ccc(NC(=O)CN(C2CCC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000292506240 455681739 /nfs/dbraw/zinc/68/17/39/455681739.db2.gz UZOMATQSHCKOJT-UHFFFAOYSA-N 0 3 347.415 3.339 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H](CO)Cc1ccccc1)CCC2 ZINC000193302467 455752262 /nfs/dbraw/zinc/75/22/62/455752262.db2.gz IVLKWWPGQTTYRB-APWZRJJASA-N 0 3 326.396 3.165 20 5 EGBDHN Cc1ccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000187180077 455877553 /nfs/dbraw/zinc/87/75/53/455877553.db2.gz CLDZPFTUYNKENE-KBXCAEBGSA-N 0 3 341.411 3.324 20 5 EGBDHN O=[N+]([O-])c1ccc(CCNCc2cnc([C@@H]3CCCO3)s2)cc1 ZINC000270178047 455894925 /nfs/dbraw/zinc/89/49/25/455894925.db2.gz FBDIGSJZMMFSMH-HNNXBMFYSA-N 0 3 333.413 3.235 20 5 EGBDHN COc1cc(NC[C@@H]2NCCc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC000261606325 455911359 /nfs/dbraw/zinc/91/13/59/455911359.db2.gz CUHCECJWHHYKHM-HNNXBMFYSA-N 0 3 331.347 3.041 20 5 EGBDHN COc1cc(CN[C@@H](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272391957 455935969 /nfs/dbraw/zinc/93/59/69/455935969.db2.gz IZRHJYRKMFKSPL-VIFPVBQESA-N 0 3 330.331 3.135 20 5 EGBDHN Nc1ccc(NC2CCN(CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000285994484 455955990 /nfs/dbraw/zinc/95/59/90/455955990.db2.gz CZDMGQNWKQDFCF-UHFFFAOYSA-N 0 3 340.427 3.296 20 5 EGBDHN CN(C)C1(CN(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCC1 ZINC000188058167 455988865 /nfs/dbraw/zinc/98/88/65/455988865.db2.gz CDLAEIDFDAHZPD-UHFFFAOYSA-N 0 3 347.440 3.366 20 5 EGBDHN COC(=O)c1csc([C@@H](C)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000286227913 456004369 /nfs/dbraw/zinc/00/43/69/456004369.db2.gz SRJSZSYKLAQFMF-LLVKDONJSA-N 0 3 334.397 3.336 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000270828206 456048383 /nfs/dbraw/zinc/04/83/83/456048383.db2.gz CIFVDLVSIPHRIG-CYBMUJFWSA-N 0 3 345.378 3.109 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)c(F)c1 ZINC000270828206 456048386 /nfs/dbraw/zinc/04/83/86/456048386.db2.gz CIFVDLVSIPHRIG-CYBMUJFWSA-N 0 3 345.378 3.109 20 5 EGBDHN COc1cc(N2CCCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301380868 456102745 /nfs/dbraw/zinc/10/27/45/456102745.db2.gz ZABCDRBIGNVGPJ-UHFFFAOYSA-N 0 3 341.411 3.316 20 5 EGBDHN COCCN1CCC(Nc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000301433288 456115119 /nfs/dbraw/zinc/11/51/19/456115119.db2.gz HTQCAZWQGUCZCR-UHFFFAOYSA-N 0 3 327.812 3.079 20 5 EGBDHN CN(CCNc1ncc([N+](=O)[O-])cc1Cl)Cc1ccc(F)cc1 ZINC000301553712 456145269 /nfs/dbraw/zinc/14/52/69/456145269.db2.gz RRWWUBHFJDDBFM-UHFFFAOYSA-N 0 3 338.770 3.326 20 5 EGBDHN CN(C)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000301745721 456204857 /nfs/dbraw/zinc/20/48/57/456204857.db2.gz ONPLVBXVFURYHB-CQSZACIVSA-N 0 3 334.807 3.228 20 5 EGBDHN CN(C(=O)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000281340022 456206920 /nfs/dbraw/zinc/20/69/20/456206920.db2.gz ZERWVCVIPAVZKP-INIZCTEOSA-N 0 3 339.395 3.080 20 5 EGBDHN CC[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000302135966 456296876 /nfs/dbraw/zinc/29/68/76/456296876.db2.gz BCOPAGQZQMTXSJ-QGZVFWFLSA-N 0 3 340.427 3.399 20 5 EGBDHN Cc1cccc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000302519037 456353575 /nfs/dbraw/zinc/35/35/75/456353575.db2.gz WNXWYZJEMAARAY-HZPDHXFCSA-N 0 3 347.459 3.229 20 5 EGBDHN C[C@H](N[C@H]1CCC[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000282178764 456434556 /nfs/dbraw/zinc/43/45/56/456434556.db2.gz VPGPTHDDIHMDIN-KWBADKCTSA-N 0 3 325.796 3.353 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CCO[C@@H]1c1cccnc1 ZINC000343383983 456577635 /nfs/dbraw/zinc/57/76/35/456577635.db2.gz AMWBGFZZBJIYQS-HYXJCQPJSA-N 0 3 325.368 3.123 20 5 EGBDHN COc1ccc(CN[C@@H](C)[C@@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000291648491 456706656 /nfs/dbraw/zinc/70/66/56/456706656.db2.gz CMAQGNOFFXVJKB-GTNSWQLSSA-N 0 3 348.424 3.457 20 5 EGBDHN CC[C@H](c1ccncc1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299501909 456712982 /nfs/dbraw/zinc/71/29/82/456712982.db2.gz BPQLBTHMGULANY-MRXNPFEDSA-N 0 3 342.399 3.402 20 5 EGBDHN COc1ccc(CN[C@@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000291761219 456748118 /nfs/dbraw/zinc/74/81/18/456748118.db2.gz RLPRDWLDAHWYDH-CQSZACIVSA-N 0 3 345.374 3.111 20 5 EGBDHN COCC1(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000291776147 456754371 /nfs/dbraw/zinc/75/43/71/456754371.db2.gz HTMNVIOBCFRDKZ-UHFFFAOYSA-N 0 3 345.399 3.307 20 5 EGBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc([S@@](C)=O)cc1 ZINC000338957139 456875821 /nfs/dbraw/zinc/87/58/21/456875821.db2.gz DQBKDSVZJYRBAJ-HSZRJFAPSA-N 0 3 332.425 3.007 20 5 EGBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1C(F)(F)F ZINC000342000791 457052295 /nfs/dbraw/zinc/05/22/95/457052295.db2.gz ZJJWARVXFCNRKN-SNVBAGLBSA-N 0 3 328.294 3.161 20 5 EGBDHN CN(C)CCOc1ccccc1CNc1ccc([N+](=O)[O-])cc1F ZINC000350050083 457155040 /nfs/dbraw/zinc/15/50/40/457155040.db2.gz MTKNZJBUZZFSER-UHFFFAOYSA-N 0 3 333.363 3.286 20 5 EGBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@@H]2C1 ZINC000352085012 457336655 /nfs/dbraw/zinc/33/66/55/457336655.db2.gz XABUGXFFBHBGPN-IINYFYTJSA-N 0 3 329.322 3.144 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCc3ccsc3)C2)nc1 ZINC000360970527 457477426 /nfs/dbraw/zinc/47/74/26/457477426.db2.gz RIXLCYJFWWKIBC-CQSZACIVSA-N 0 3 332.429 3.170 20 5 EGBDHN C[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358083284 457774229 /nfs/dbraw/zinc/77/42/29/457774229.db2.gz KRIBHSQPOUQJLE-NEPJUHHUSA-N 0 3 345.424 3.205 20 5 EGBDHN COc1ccc(-c2ccc(CN3CC[C@H](C)[C@@H]3CO)o2)c([N+](=O)[O-])c1 ZINC000443857983 457816627 /nfs/dbraw/zinc/81/66/27/457816627.db2.gz VWOYMWGSXWJUFO-SJCJKPOMSA-N 0 3 346.383 3.066 20 5 EGBDHN Cc1cc([C@H]2CCCN2CCC(=O)Nc2ccc([N+](=O)[O-])cc2)on1 ZINC000411176257 457820774 /nfs/dbraw/zinc/82/07/74/457820774.db2.gz VUAMAZCILUUDHS-OAHLLOKOSA-N 0 3 344.371 3.057 20 5 EGBDHN CCC[C@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358210822 457861864 /nfs/dbraw/zinc/86/18/64/457861864.db2.gz YCELANDIIOJGIM-ZBFHGGJFSA-N 0 3 333.432 3.425 20 5 EGBDHN O=C(CCN1CCC[C@H]1c1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000411414187 457881147 /nfs/dbraw/zinc/88/11/47/457881147.db2.gz HSJGWWDEVYTJDO-INIZCTEOSA-N 0 3 340.383 3.156 20 5 EGBDHN CCOC(=O)c1cc(NC[C@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000433790426 457887417 /nfs/dbraw/zinc/88/74/17/457887417.db2.gz XDBZMTWXZXQTJH-OAHLLOKOSA-N 0 3 347.415 3.200 20 5 EGBDHN CC[C@H]1CCCC[C@@H]1N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000444675660 457934962 /nfs/dbraw/zinc/93/49/62/457934962.db2.gz MIEQCYLPDPPYCL-YOEHRIQHSA-N 0 3 345.443 3.385 20 5 EGBDHN C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1COc2ccccc21 ZINC000444674021 457935878 /nfs/dbraw/zinc/93/58/78/457935878.db2.gz JHQMJLOCTDGXAK-RISCZKNCSA-N 0 3 338.367 3.125 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](CO)CC(F)F)s2)cc1 ZINC000428643397 458182450 /nfs/dbraw/zinc/18/24/50/458182450.db2.gz QBIOKYBMUCWIQJ-LLVKDONJSA-N 0 3 342.367 3.429 20 5 EGBDHN C[C@H]1C[C@@H]1N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429027557 458260939 /nfs/dbraw/zinc/26/09/39/458260939.db2.gz MLPHLMGIKXBACZ-IGCXYCKISA-N 0 3 337.851 3.410 20 5 EGBDHN COc1cc(NC[C@@H]2N(C)CCCC2(C)C)c(F)cc1[N+](=O)[O-] ZINC000447814898 458346352 /nfs/dbraw/zinc/34/63/52/458346352.db2.gz ATWFZYCZHFMPLO-HNNXBMFYSA-N 0 3 325.384 3.275 20 5 EGBDHN C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000429835090 458375885 /nfs/dbraw/zinc/37/58/85/458375885.db2.gz WNHHJDYMPACBPF-GJZGRUSLSA-N 0 3 347.459 3.109 20 5 EGBDHN C[C@@H](NC(=O)NC[C@H]1N(C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000447991436 458375886 /nfs/dbraw/zinc/37/58/86/458375886.db2.gz UXUKWCSAKOAQAW-CZUORRHYSA-N 0 3 348.447 3.075 20 5 EGBDHN CCOc1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)ccc1O ZINC000459544244 458405475 /nfs/dbraw/zinc/40/54/75/458405475.db2.gz NIGWYGONFXRHMT-UHFFFAOYSA-N 0 3 330.384 3.374 20 5 EGBDHN COC(=O)COc1ccc(CN(C2CCC2)C2CCC2)cc1[N+](=O)[O-] ZINC000430138608 458409426 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Cc1ccccc1CCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440351912 458807285 /nfs/dbraw/zinc/80/72/85/458807285.db2.gz BUJQUWGRTCEKLJ-QGZVFWFLSA-N 0 3 340.427 3.417 20 5 EGBDHN COC(=O)N1CCC[C@H]([C@H](C)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000495555457 458882210 /nfs/dbraw/zinc/88/22/10/458882210.db2.gz FZHPTBDZDOPETD-MJBXVCDLSA-N 0 3 335.404 3.112 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000475563417 458951599 /nfs/dbraw/zinc/95/15/99/458951599.db2.gz FYTURDFJHODWBV-IUODEOHRSA-N 0 3 348.447 3.454 20 5 EGBDHN CN1CC=C(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000519829769 459013546 /nfs/dbraw/zinc/01/35/46/459013546.db2.gz QOLARIQNPYBSSL-CQSZACIVSA-N 0 3 329.322 3.050 20 5 EGBDHN CC[C@H](C)[C@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000532586161 459114046 /nfs/dbraw/zinc/11/40/46/459114046.db2.gz UIGIZDJOJUKWQD-WMLDXEAASA-N 0 3 333.432 3.458 20 5 EGBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H]3[C@H]4CCO[C@H]4C34CCCC4)nc2c1 ZINC000590726622 459196277 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EGBDHN COc1c(O)ccc(CNC[C@H]2CCCCC2(F)F)c1[N+](=O)[O-] ZINC000894669213 1309014716 /nfs/dbraw/zinc/01/47/16/1309014716.db2.gz ZRSQPZJZHYPTHR-LLVKDONJSA-N 0 3 330.331 3.224 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]C[C@H]2CCCCC2(F)F)c1[N+](=O)[O-] ZINC000894669213 1309014727 /nfs/dbraw/zinc/01/47/27/1309014727.db2.gz ZRSQPZJZHYPTHR-LLVKDONJSA-N 0 3 330.331 3.224 20 5 EGBDHN CC[C@@H](C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])CC(F)(F)F ZINC000894906951 1309123567 /nfs/dbraw/zinc/12/35/67/1309123567.db2.gz XNXRVGUMCZFBNH-SECBINFHSA-N 0 3 336.310 3.377 20 5 EGBDHN CN(CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)[C@H]1CCC(C)(C)C1 ZINC000794686777 1309574441 /nfs/dbraw/zinc/57/44/41/1309574441.db2.gz QUNMQTSCOBWOQP-AWEZNQCLSA-N 0 3 346.431 3.305 20 5 EGBDHN CN(CCOc1ccccc1[N+](=O)[O-])CCc1ccccc1[N+](=O)[O-] ZINC000796114605 1309911222 /nfs/dbraw/zinc/91/12/22/1309911222.db2.gz MNRKAARYVFAKNY-UHFFFAOYSA-N 0 3 345.355 3.056 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CCCC(C)(C)C2)c1C ZINC000897582129 1310393926 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CCc1cccc2c1OCC[C@H]2NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818997902 1319610683 /nfs/dbraw/zinc/61/06/83/1319610683.db2.gz NQPPDUVMMGWODA-QZTJIDSGSA-N 0 3 342.395 3.304 20 5 EGBDHN CSc1ccc(F)cc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819127775 1319641865 /nfs/dbraw/zinc/64/18/65/1319641865.db2.gz KNFXCDJJNHMTJN-OAHLLOKOSA-N 0 3 336.388 3.279 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1CCCCN1C(C)C ZINC000837356179 1320603474 /nfs/dbraw/zinc/60/34/74/1320603474.db2.gz NGHNCQZMGCKPDZ-CQSZACIVSA-N 0 3 336.388 3.023 20 5 EGBDHN COc1c(C(=O)OC[C@@H]2CCCCN2C(C)C)cccc1[N+](=O)[O-] ZINC000837699858 1320669722 /nfs/dbraw/zinc/66/97/22/1320669722.db2.gz QBCMLHWGESRCRG-ZDUSSCGKSA-N 0 3 336.388 3.023 20 5 EGBDHN CC(C)(C)[S@](=O)CCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841765217 1321308900 /nfs/dbraw/zinc/30/89/00/1321308900.db2.gz VKNVOHWAMVBPQP-WAIKUNEKSA-N 0 3 338.473 3.499 20 5 EGBDHN CC(C)(C)N1CC[C@@H]1COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000845734846 1321737855 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CC([C@H](OC(=O)c1cnc(C2CC2)o1)c1ccccc1F)[N+](=O)[O-] ZINC001123018792 1372363395 /nfs/dbraw/zinc/36/33/95/1372363395.db2.gz NLLUQVVUVNYRBI-XPTSAGLGSA-N 0 3 334.303 3.254 20 5 EGBDHN Cc1ccc(Nc2cccc(CN3CCN(C)CC3)c2)c([N+](=O)[O-])c1 ZINC001214173618 1373019458 /nfs/dbraw/zinc/01/94/58/1373019458.db2.gz ALCJCRRHLODCBL-UHFFFAOYSA-N 0 3 340.427 3.394 20 5 EGBDHN Cc1cc(O[C@@H]2CCCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001225657818 1375139863 /nfs/dbraw/zinc/13/98/63/1375139863.db2.gz QIEPOUQZKGYINY-MRXNPFEDSA-N 0 3 327.384 3.342 20 5 EGBDHN COCCN1CCC(Oc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001226301873 1375235785 /nfs/dbraw/zinc/23/57/85/1375235785.db2.gz AIXNAYGJBZWPOK-UHFFFAOYSA-N 0 3 348.321 3.103 20 5 EGBDHN O=[N+]([O-])c1cccc2oc(O[C@@H]3CCN(Cc4ccccc4)C3)nc21 ZINC001227237351 1375409997 /nfs/dbraw/zinc/40/99/97/1375409997.db2.gz TZXACNPAFFRQFC-CQSZACIVSA-N 0 3 339.351 3.389 20 5 EGBDHN O=[N+]([O-])c1ccc(O[C@H]2CCN(Cc3ccccc3)C2)nc1Cl ZINC001228935548 1375721992 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Cc1cc([N+](=O)[O-])cnc1NCC1CCN(Cc2ccccn2)CC1 ZINC001161241014 1382352242 /nfs/dbraw/zinc/35/22/42/1382352242.db2.gz OIEHDJBGTZGEMK-UHFFFAOYSA-N 0 3 341.415 3.017 20 5 EGBDHN COc1cc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)N)cc1F ZINC001162767183 1382865295 /nfs/dbraw/zinc/86/52/95/1382865295.db2.gz SSZSRMVGPCSSJT-SECBINFHSA-N 0 3 330.319 3.101 20 5 EGBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2c(F)cc(Br)cc2F)C1 ZINC001168991327 1384080839 /nfs/dbraw/zinc/08/08/39/1384080839.db2.gz GIEBVPQQQCJOTC-SCZZXKLOSA-N 0 3 349.175 3.262 20 5 EGBDHN Cc1ccc(Cl)cc1N1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007396 1384085813 /nfs/dbraw/zinc/08/58/13/1384085813.db2.gz NDHHDELWDRPJLH-ZBFHGGJFSA-N 0 3 337.851 3.216 20 5 EGBDHN COc1ccc(C[C@@H](C)N(C)Cc2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC001170351509 1384298306 /nfs/dbraw/zinc/29/83/06/1384298306.db2.gz CUZAPKYHFNOKCZ-CQSZACIVSA-N 0 3 329.400 3.370 20 5 EGBDHN Cc1noc([C@@H]2CCCN2[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172920949 1384879394 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CCS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])C1 ZINC001333699123 1390377646 /nfs/dbraw/zinc/37/76/46/1390377646.db2.gz RRCGZOWUUGRXDO-CHWSQXEVSA-N 0 3 340.445 3.463 20 5 EGBDHN COC(=O)[C@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001347648612 1391105588 /nfs/dbraw/zinc/10/55/88/1391105588.db2.gz SOQFVTXEAUNDGY-AAEUAGOBSA-N 0 3 346.305 3.045 20 5 EGBDHN CC([C@H](OC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccccc1F)[N+](=O)[O-] ZINC001348940467 1391286301 /nfs/dbraw/zinc/28/63/01/1391286301.db2.gz SADIRKHUMJZRCP-MVQRFQBOSA-N 0 3 344.342 3.274 20 5 EGBDHN CCN(CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000031987974 202218849 /nfs/dbraw/zinc/21/88/49/202218849.db2.gz HSEUPFRKLALPGL-MRXNPFEDSA-N 0 3 347.440 3.469 20 5 EGBDHN O=[N+]([O-])c1cccc(CN2CCC[C@H](c3nnc4ccccn43)C2)c1 ZINC000076397253 202388989 /nfs/dbraw/zinc/38/89/89/202388989.db2.gz ZDMPJRXHOWUVNF-HNNXBMFYSA-N 0 3 337.383 3.017 20 5 EGBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375463822 242057382 /nfs/dbraw/zinc/05/73/82/242057382.db2.gz GIAHYKDNDGYBAG-BXUZGUMPSA-N 0 3 328.372 3.406 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC3(CC2)OCCO3)o1 ZINC000126094193 205040871 /nfs/dbraw/zinc/04/08/71/205040871.db2.gz LMDNCGDRKWFZAT-UHFFFAOYSA-N 0 3 344.367 3.194 20 5 EGBDHN Cc1ccc([C@H](C)NCCNC(=O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000130912703 205263344 /nfs/dbraw/zinc/26/33/44/205263344.db2.gz KOARKPSFIUMRDT-ZDUSSCGKSA-N 0 3 345.374 3.123 20 5 EGBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCCCO1 ZINC000264175519 246140373 /nfs/dbraw/zinc/14/03/73/246140373.db2.gz JAQIMHIXVPTNRW-INIZCTEOSA-N 0 3 345.399 3.293 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)C3CC3)o2)c(Cl)c1 ZINC000265103506 247205655 /nfs/dbraw/zinc/20/56/55/247205655.db2.gz UFVFWMMUNWYBBG-HNNXBMFYSA-N 0 3 336.775 3.369 20 5 EGBDHN COc1ccc(CNC[C@@H](O)c2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000266512094 248338734 /nfs/dbraw/zinc/33/87/34/248338734.db2.gz BOQRVNMICNTCNH-QGZVFWFLSA-N 0 3 330.384 3.043 20 5 EGBDHN CCCC(=O)NC[C@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266560138 248360444 /nfs/dbraw/zinc/36/04/44/248360444.db2.gz XCUCQNCBTNREOB-HUUCEWRRSA-N 0 3 333.432 3.284 20 5 EGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000267620284 251199714 /nfs/dbraw/zinc/19/97/14/251199714.db2.gz YZVILESZVWPKLT-HIFRSBDPSA-N 0 3 343.383 3.040 20 5 EGBDHN COc1ccc(-c2ccc(CNCCOCC3CC3)o2)c([N+](=O)[O-])c1 ZINC000237427435 141001986 /nfs/dbraw/zinc/00/19/86/141001986.db2.gz WBBSEAZFSVEMCT-UHFFFAOYSA-N 0 3 346.383 3.380 20 5 EGBDHN O=[N+]([O-])c1ccc(CNCCc2cc(C(F)(F)F)ccn2)c(F)c1 ZINC000339483917 141121785 /nfs/dbraw/zinc/12/17/85/141121785.db2.gz YZQDPTWIJDJEHS-UHFFFAOYSA-N 0 3 343.280 3.480 20 5 EGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000344610566 144198239 /nfs/dbraw/zinc/19/82/39/144198239.db2.gz HNBMIUQCFWIQKX-ZDUSSCGKSA-N 0 3 339.823 3.098 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000117604114 152106368 /nfs/dbraw/zinc/10/63/68/152106368.db2.gz MPOIMVVBJNSOQD-UHFFFAOYSA-N 0 3 347.802 3.491 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCC[C@H]1OC(F)F ZINC000337395018 154331075 /nfs/dbraw/zinc/33/10/75/154331075.db2.gz IPZVLIIKRBRALX-GXTWGEPZSA-N 0 3 330.331 3.243 20 5 EGBDHN COc1cccc([C@H](CNc2c(F)cccc2[N+](=O)[O-])N(C)C)c1 ZINC000336878256 163085496 /nfs/dbraw/zinc/08/54/96/163085496.db2.gz CRFSMYGPBJXOCF-INIZCTEOSA-N 0 3 333.363 3.457 20 5 EGBDHN COCC[C@@H](NCc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000338343700 163216927 /nfs/dbraw/zinc/21/69/27/163216927.db2.gz BCOKGMYICJIMLZ-OAHLLOKOSA-N 0 3 328.384 3.283 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(NCc2ccccc2OCCN(C)C)c1 ZINC000338652377 163306672 /nfs/dbraw/zinc/30/66/72/163306672.db2.gz IQLYKKUYMKFOKL-UHFFFAOYSA-N 0 3 345.399 3.156 20 5 EGBDHN COC[C@@H](C)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000338710468 163326707 /nfs/dbraw/zinc/32/67/07/163326707.db2.gz IAOOSCHOWROUON-LBPRGKRZSA-N 0 3 334.372 3.236 20 5 EGBDHN CCN1CC[C@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000354400231 166013378 /nfs/dbraw/zinc/01/33/78/166013378.db2.gz QLIOHIHYRCGUHA-JSGCOSHPSA-N 0 3 345.399 3.286 20 5 EGBDHN CCCN(CCN1CCN(CC)CC1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000344190977 164123037 /nfs/dbraw/zinc/12/30/37/164123037.db2.gz YJFCIKOKGMLRMY-KRWDZBQOSA-N 0 3 348.491 3.005 20 5 EGBDHN C[C@H]1[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCN1C ZINC000344332830 164158736 /nfs/dbraw/zinc/15/87/36/164158736.db2.gz ZTQGWWARVQVPIE-BBRMVZONSA-N 0 3 329.400 3.427 20 5 EGBDHN C[C@@H](CN(C)C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000346156424 164352304 /nfs/dbraw/zinc/35/23/04/164352304.db2.gz JZXDTNOUXQXEPZ-ZDUSSCGKSA-N 0 3 342.399 3.018 20 5 EGBDHN CCOC(=O)C[C@@](C)(NCc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000359374096 167140150 /nfs/dbraw/zinc/14/01/50/167140150.db2.gz BLEDVNGHKVRMIV-MRXNPFEDSA-N 0 3 326.368 3.191 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3C[C@@H]4CCCC[C@@H]4C3)o2)cc1 ZINC000177579669 265264695 /nfs/dbraw/zinc/26/46/95/265264695.db2.gz MQCCYCRSQCPWIJ-OKILXGFUSA-N 0 3 328.372 3.267 20 5 EGBDHN CC1CCN([C@@H](CNc2ncc([N+](=O)[O-])cn2)c2cccs2)CC1 ZINC000273685569 267083048 /nfs/dbraw/zinc/08/30/48/267083048.db2.gz ZWPWRWRTWSRNLE-AWEZNQCLSA-N 0 3 347.444 3.331 20 5 EGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](c1nccn1C)C1CC1 ZINC000353874088 274480107 /nfs/dbraw/zinc/48/01/07/274480107.db2.gz XNTWHKXRHPOJSK-CXAGYDPISA-N 0 3 328.416 3.390 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)c1ccccn1 ZINC000128105822 275192373 /nfs/dbraw/zinc/19/23/73/275192373.db2.gz ZTHLTIQGOGQVAS-AWEZNQCLSA-N 0 3 342.399 3.320 20 5 EGBDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000122793794 275830051 /nfs/dbraw/zinc/83/00/51/275830051.db2.gz FRMJKHCPULYUHZ-GJZGRUSLSA-N 0 3 335.404 3.130 20 5 EGBDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000287359179 276112084 /nfs/dbraw/zinc/11/20/84/276112084.db2.gz WRGWLNNEKRNFQV-WFASDCNBSA-N 0 3 343.383 3.040 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1SCCN(C)Cc1ccccc1 ZINC000288309180 276200202 /nfs/dbraw/zinc/20/02/02/276200202.db2.gz CKUVHCQWWDJCIL-UHFFFAOYSA-N 0 3 334.445 3.344 20 5 EGBDHN CN(C)[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000105326990 276780287 /nfs/dbraw/zinc/78/02/87/276780287.db2.gz YQARDQRVKAMXSV-CQSZACIVSA-N 0 3 333.432 3.059 20 5 EGBDHN CC(C)c1ccc(CN2CCNC[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000262125263 278036006 /nfs/dbraw/zinc/03/60/06/278036006.db2.gz XPIZQVUQGJRCFK-LJQANCHMSA-N 0 3 340.427 3.260 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000120605646 281258278 /nfs/dbraw/zinc/25/82/78/281258278.db2.gz WRPJYNBOFQNWRD-IYBDPMFKSA-N 0 3 347.459 3.229 20 5 EGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000357848575 281360797 /nfs/dbraw/zinc/36/07/97/281360797.db2.gz JPBPVBDBXGSJEE-RDTXWAMCSA-N 0 3 341.411 3.324 20 5 EGBDHN CC(C)(C)CC(C)(C)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000053123813 307334787 /nfs/dbraw/zinc/33/47/87/307334787.db2.gz IKKUNTZUAUFGDU-UHFFFAOYSA-N 0 3 333.432 3.288 20 5 EGBDHN Cc1c([C@H](C)N[C@H]2CCN(CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000125809701 307559996 /nfs/dbraw/zinc/55/99/96/307559996.db2.gz QFCRVSJMOQZVRD-RYUDHWBXSA-N 0 3 331.338 3.190 20 5 EGBDHN CCOc1ccc([C@@H](C)NCCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000153273277 307769651 /nfs/dbraw/zinc/76/96/51/307769651.db2.gz MJIHAUKWQYJDSB-SNVBAGLBSA-N 0 3 336.310 3.223 20 5 EGBDHN C[C@@H]1C[C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)O1 ZINC000414522306 309086269 /nfs/dbraw/zinc/08/62/69/309086269.db2.gz XDEVBJHZWIAMDA-VWYCJHECSA-N 0 3 330.331 3.099 20 5 EGBDHN COc1ccccc1O[C@@H](C)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294653111 308242412 /nfs/dbraw/zinc/24/24/12/308242412.db2.gz GWJJYXKNIRDVOY-QWHCGFSZSA-N 0 3 345.399 3.304 20 5 EGBDHN C[C@@H](N[C@@H](C)c1ccc([S@@](C)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294678558 308244861 /nfs/dbraw/zinc/24/48/61/308244861.db2.gz IBKKLHROYACTRM-KKVRKASNSA-N 0 3 347.440 3.326 20 5 EGBDHN C[C@@H]1CN(CCCNc2nccc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000295075370 308288414 /nfs/dbraw/zinc/28/84/14/308288414.db2.gz QPJBRPQWIRUOPY-CQSZACIVSA-N 0 3 344.415 3.056 20 5 EGBDHN CC[C@H](COCC(F)(F)F)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297181310 308507425 /nfs/dbraw/zinc/50/74/25/308507425.db2.gz DXLVXCHJBAYPCN-MWLCHTKSSA-N 0 3 335.326 3.185 20 5 EGBDHN COc1cc(NC[C@H](c2ccc(F)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000301329321 308696626 /nfs/dbraw/zinc/69/66/26/308696626.db2.gz AUROZFFONBQQPE-MRXNPFEDSA-N 0 3 333.363 3.457 20 5 EGBDHN COc1cc(NC[C@@H](c2cccc(F)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000301361764 308697805 /nfs/dbraw/zinc/69/78/05/308697805.db2.gz OJPLLZOJLPSARL-INIZCTEOSA-N 0 3 333.363 3.457 20 5 EGBDHN CC(=O)N[C@H](C)C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000331159178 308802737 /nfs/dbraw/zinc/80/27/37/308802737.db2.gz ZQQVRKZCZJFSSF-KGLIPLIRSA-N 0 3 333.432 3.201 20 5 EGBDHN Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000420922862 309301423 /nfs/dbraw/zinc/30/14/23/309301423.db2.gz GMQOLQPDLGASEA-KRWDZBQOSA-N 0 3 332.379 3.065 20 5 EGBDHN CN(C(=O)CN1CC[C@H](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420967437 309305059 /nfs/dbraw/zinc/30/50/59/309305059.db2.gz YTHXXHOIFWCZTH-HNNXBMFYSA-N 0 3 331.416 3.070 20 5 EGBDHN COCC(C)(C)N1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000425352538 309475495 /nfs/dbraw/zinc/47/54/95/309475495.db2.gz OOPKAGCRSSNIID-VBKFSLOCSA-N 0 3 347.459 3.041 20 5 EGBDHN CO[C@H]1CCCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425437151 309480294 /nfs/dbraw/zinc/48/02/94/309480294.db2.gz XVJQXVUOBVSZSI-OCCSQVGLSA-N 0 3 343.221 3.405 20 5 EGBDHN COCC[C@]1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000447083604 309973874 /nfs/dbraw/zinc/97/38/74/309973874.db2.gz BVSALOUZFLCYAS-SFHVURJKSA-N 0 3 346.383 3.140 20 5 EGBDHN COc1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000447559879 309982128 /nfs/dbraw/zinc/98/21/28/309982128.db2.gz BKRQQBJMKHVTII-LSDHHAIUSA-N 0 3 348.378 3.213 20 5 EGBDHN CCc1noc(CC)c1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447578966 309982951 /nfs/dbraw/zinc/98/29/51/309982951.db2.gz IHLUTFKZXZHBLC-CABCVRRESA-N 0 3 347.419 3.178 20 5 EGBDHN COCCN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000448375626 310003355 /nfs/dbraw/zinc/00/33/55/310003355.db2.gz UTVOLTYUQHLXCE-IEXSPKMKSA-N 0 3 336.457 3.452 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cccc4ccoc43)CC2)n1 ZINC000449286489 310050329 /nfs/dbraw/zinc/05/03/29/310050329.db2.gz HLNWMUFLDFWFNR-UHFFFAOYSA-N 0 3 326.356 3.375 20 5 EGBDHN CC[C@@H](C)[C@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000449403775 310059294 /nfs/dbraw/zinc/05/92/94/310059294.db2.gz XOOMWTGHGZKVQP-YGRLFVJLSA-N 0 3 332.347 3.347 20 5 EGBDHN CC(C)(C[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000449410588 310059723 /nfs/dbraw/zinc/05/97/23/310059723.db2.gz XXXCRILBWDBRBC-WUKHSURWSA-N 0 3 345.443 3.222 20 5 EGBDHN CCN1C[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1=O ZINC000449515873 310068643 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Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451499223 310181301 /nfs/dbraw/zinc/18/13/01/310181301.db2.gz MTHUYLUQNJJHPQ-LSDHHAIUSA-N 0 3 349.431 3.023 20 5 EGBDHN CC(C)N1CCC[C@@H](N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551786 310185626 /nfs/dbraw/zinc/18/56/26/310185626.db2.gz VIMFUKDBOLWAHD-SJLPKXTDSA-N 0 3 345.443 3.174 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451607615 310188921 /nfs/dbraw/zinc/18/89/21/310188921.db2.gz MZZCOWQLNZLUMG-MJGOQNOKSA-N 0 3 348.443 3.269 20 5 EGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1ccnc(OC)n1 ZINC000453242617 310266302 /nfs/dbraw/zinc/26/63/02/310266302.db2.gz FKDDRKRFRCZJOL-LBPRGKRZSA-N 0 3 348.428 3.054 20 5 EGBDHN Cc1cc(C)c(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000453345713 310272289 /nfs/dbraw/zinc/27/22/89/310272289.db2.gz FMRFCIYTLBMNPJ-JKSUJKDBSA-N 0 3 329.404 3.077 20 5 EGBDHN COc1cccnc1CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453356315 310272707 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CN(c1ccccc1)c1ccc(CN(CCO)C2CC2)cc1[N+](=O)[O-] ZINC000507133215 312060378 /nfs/dbraw/zinc/06/03/78/312060378.db2.gz UAJYHVLMHPGQAF-UHFFFAOYSA-N 0 3 341.411 3.319 20 5 EGBDHN CC1=CCC[C@H](C)[C@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000527201840 312840075 /nfs/dbraw/zinc/84/00/75/312840075.db2.gz PMEXGHMAXQUGNQ-RDJZCZTQSA-N 0 3 330.432 3.104 20 5 EGBDHN Cc1ccc2nc(CNc3cc(C)nc4ccc([N+](=O)[O-])cc43)cn2c1 ZINC000571715207 317235827 /nfs/dbraw/zinc/23/58/27/317235827.db2.gz JXNCGOURCTZJON-UHFFFAOYSA-N 0 3 347.378 3.442 20 5 EGBDHN COc1ccc2c(c1F)CC[C@H]2NCCOc1ccc([N+](=O)[O-])cc1 ZINC000571956207 317270903 /nfs/dbraw/zinc/27/09/03/317270903.db2.gz GMFONPZVKKKZMH-MRXNPFEDSA-N 0 3 346.358 3.398 20 5 EGBDHN Cc1cccc(C)c1OC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173350374 323294922 /nfs/dbraw/zinc/29/49/22/323294922.db2.gz YYSXYMWYDNKIRR-MAUKXSAKSA-N 0 3 344.411 3.302 20 5 EGBDHN CC[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1c(C)noc1C ZINC000182500287 323556542 /nfs/dbraw/zinc/55/65/42/323556542.db2.gz OSPCBKNRFZWGSQ-ZDUSSCGKSA-N 0 3 346.387 3.269 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](CO)c1ccc(F)cc1 ZINC000579928116 325177952 /nfs/dbraw/zinc/17/79/52/325177952.db2.gz KBJNHZIPDPFVQP-ZFWWWQNUSA-N 0 3 332.375 3.469 20 5 EGBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245593216 455337742 /nfs/dbraw/zinc/33/77/42/455337742.db2.gz GTZVNCFJIDRWBD-QIIPPGSGSA-N 0 3 343.427 3.131 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCNC(c1ccccc1)c1ccccc1 ZINC000012354046 453357742 /nfs/dbraw/zinc/35/77/42/453357742.db2.gz IKBXPJRMNJNVCI-UHFFFAOYSA-N 0 3 336.395 3.479 20 5 EGBDHN COc1ccc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026221423 453795044 /nfs/dbraw/zinc/79/50/44/453795044.db2.gz NWJXPTBNQJWNTQ-UHFFFAOYSA-N 0 3 343.383 3.064 20 5 EGBDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccccc2[N+](=O)[O-])C1 ZINC000066473757 453848087 /nfs/dbraw/zinc/84/80/87/453848087.db2.gz QENKJDVUSKNVQM-GDBMZVCRSA-N 0 3 333.432 3.112 20 5 EGBDHN CCCCNC(=O)[C@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075676655 453916345 /nfs/dbraw/zinc/91/63/45/453916345.db2.gz ANAZBZIJSRKBJO-GJZGRUSLSA-N 0 3 333.432 3.284 20 5 EGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000055405401 453982010 /nfs/dbraw/zinc/98/20/10/453982010.db2.gz VPOIISNMCDCCAI-VXGBXAGGSA-N 0 3 339.823 3.098 20 5 EGBDHN Cc1ccccc1CN1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000042104201 453993853 /nfs/dbraw/zinc/99/38/53/453993853.db2.gz KMCLIIXEOVVWRG-UHFFFAOYSA-N 0 3 326.400 3.011 20 5 EGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](CC(C)C)N(C)C)c1 ZINC000042586113 454014704 /nfs/dbraw/zinc/01/47/04/454014704.db2.gz NAHWWVRJFWTHGY-LBPRGKRZSA-N 0 3 339.461 3.023 20 5 EGBDHN Cc1c(NC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000056530622 454065435 /nfs/dbraw/zinc/06/54/35/454065435.db2.gz ZHUCQSVQZAXTHJ-STQMWFEESA-N 0 3 334.420 3.145 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC1CCCCC1 ZINC000043999849 454085683 /nfs/dbraw/zinc/08/56/83/454085683.db2.gz NRKFJGZLWWDKRS-ZDUSSCGKSA-N 0 3 349.431 3.443 20 5 EGBDHN CC(=O)NCCc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000089513230 454157638 /nfs/dbraw/zinc/15/76/38/454157638.db2.gz WJYQDCBUDQCASZ-AWEZNQCLSA-N 0 3 341.411 3.124 20 5 EGBDHN CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])CC1CC1 ZINC000070014589 454164283 /nfs/dbraw/zinc/16/42/83/454164283.db2.gz CBZTUYPLZDFQTO-UHFFFAOYSA-N 0 3 330.331 3.437 20 5 EGBDHN CC[C@@H](NC(=O)C[C@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000119358089 454189053 /nfs/dbraw/zinc/18/90/53/454189053.db2.gz GRIOOXCXAVYUTQ-DLBZAZTESA-N 0 3 327.384 3.252 20 5 EGBDHN COCCN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000046055476 454212587 /nfs/dbraw/zinc/21/25/87/454212587.db2.gz ZQBSVWQYLKFPBJ-UHFFFAOYSA-N 0 3 330.384 3.122 20 5 EGBDHN CC[C@@H](CO)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000078409690 454248829 /nfs/dbraw/zinc/24/88/29/454248829.db2.gz NCICYWWVAYLOKA-HNNXBMFYSA-N 0 3 329.400 3.223 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000120325429 454287276 /nfs/dbraw/zinc/28/72/76/454287276.db2.gz GZQOGPKJCFWKES-AWEZNQCLSA-N 0 3 334.420 3.017 20 5 EGBDHN C[C@H](c1cccc(Cl)c1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090518156 454315066 /nfs/dbraw/zinc/31/50/66/454315066.db2.gz CBCXTIVTUCZBQO-GFCCVEGCSA-N 0 3 335.791 3.103 20 5 EGBDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072663405 454324382 /nfs/dbraw/zinc/32/43/82/454324382.db2.gz HJWZCWFSNRFEAJ-CPUCHLNUSA-N 0 3 343.427 3.137 20 5 EGBDHN Cc1ccc([C@@H](C)N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000061255699 454333634 /nfs/dbraw/zinc/33/36/34/454333634.db2.gz FLMBGRUVNFLBQT-CRAIPNDOSA-N 0 3 344.411 3.336 20 5 EGBDHN Cc1c([C@@H](C)N[C@@H]2CCN(c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000090801577 454341468 /nfs/dbraw/zinc/34/14/68/454341468.db2.gz NTUFUASFEQEMFR-HUUCEWRRSA-N 0 3 326.400 3.228 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN2CCN(CCc3cccs3)CC2)cc1 ZINC000064352827 454475557 /nfs/dbraw/zinc/47/55/57/454475557.db2.gz FSKHSRJUHIJQKB-UHFFFAOYSA-N 0 3 345.468 3.059 20 5 EGBDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000091985995 454500030 /nfs/dbraw/zinc/50/00/30/454500030.db2.gz DSGTYPCSCNIBDC-LBPRGKRZSA-N 0 3 332.356 3.096 20 5 EGBDHN Cc1c(CN(CCO)[C@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000074311936 454561455 /nfs/dbraw/zinc/56/14/55/454561455.db2.gz VGXJHFPHAXWIGE-IBGZPJMESA-N 0 3 326.396 3.385 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@H]3CO)o2)c(Cl)c1 ZINC000092455551 454568301 /nfs/dbraw/zinc/56/83/01/454568301.db2.gz BUDQXIPMSXTNSW-LBPRGKRZSA-N 0 3 336.775 3.465 20 5 EGBDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000122790088 454569557 /nfs/dbraw/zinc/56/95/57/454569557.db2.gz NNHPBKGAJLMZDP-KGLIPLIRSA-N 0 3 335.404 3.130 20 5 EGBDHN Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c(CN(C)C)c1 ZINC000123070643 454600075 /nfs/dbraw/zinc/60/00/75/454600075.db2.gz XTLHOIXMZZUBCV-UHFFFAOYSA-N 0 3 341.411 3.454 20 5 EGBDHN CN(C)CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000134928361 454611468 /nfs/dbraw/zinc/61/14/68/454611468.db2.gz NLGVEOYOIRHHQB-UHFFFAOYSA-N 0 3 339.823 3.195 20 5 EGBDHN CCCCNC(=O)[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092710173 454616205 /nfs/dbraw/zinc/61/62/05/454616205.db2.gz VASRVGQDSKBUDJ-RCMYXZNBSA-N 0 3 345.443 3.236 20 5 EGBDHN Cc1ccc([C@H](CNc2cc(C)c([N+](=O)[O-])cn2)N2CCCC2)o1 ZINC000074745981 454628925 /nfs/dbraw/zinc/62/89/25/454628925.db2.gz UJROCMBMZHETAU-HNNXBMFYSA-N 0 3 330.388 3.449 20 5 EGBDHN CC[C@@H](C)[C@H](O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000112381129 454885277 /nfs/dbraw/zinc/88/52/77/454885277.db2.gz MNSFFOGZNGQFLD-SJKOYZFVSA-N 0 3 348.399 3.360 20 5 EGBDHN CN(C)C(C)(C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113312627 454922317 /nfs/dbraw/zinc/92/23/17/454922317.db2.gz VJVKGKOAFIRXNR-UHFFFAOYSA-N 0 3 334.445 3.148 20 5 EGBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CCO[C@]2(CCSC2)C1 ZINC000151391720 454978820 /nfs/dbraw/zinc/97/88/20/454978820.db2.gz TVMQWSBJQQOWCP-DZGCQCFKSA-N 0 3 342.848 3.393 20 5 EGBDHN Cc1cc(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000151978260 455057021 /nfs/dbraw/zinc/05/70/21/455057021.db2.gz FFJVREMHQNNSSX-QGZVFWFLSA-N 0 3 341.411 3.456 20 5 EGBDHN COc1ccc([C@@H]2CCCCCN2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157482485 455199158 /nfs/dbraw/zinc/19/91/58/455199158.db2.gz FYFRRLSUMGBGFK-SFHVURJKSA-N 0 3 344.415 3.417 20 5 EGBDHN CC(C)(C)[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(F)c1 ZINC000181056905 455281199 /nfs/dbraw/zinc/28/11/99/455281199.db2.gz YCEXTMYOCKFZCC-KRWDZBQOSA-N 0 3 347.390 3.273 20 5 EGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCCc2nccs2)c1 ZINC000265625758 455351830 /nfs/dbraw/zinc/35/18/30/455351830.db2.gz QTIQMOLQLJBBME-UHFFFAOYSA-N 0 3 343.355 3.375 20 5 EGBDHN CCn1cnnc1[C@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182731628 455578218 /nfs/dbraw/zinc/57/82/18/455578218.db2.gz UBULCYMRAIZQOH-GJZGRUSLSA-N 0 3 343.431 3.455 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000268231459 455625545 /nfs/dbraw/zinc/62/55/45/455625545.db2.gz FCDRUUSQXDQATC-YOEHRIQHSA-N 0 3 346.383 3.155 20 5 EGBDHN Cc1ccc([C@@H](C)N[C@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000271497632 455660160 /nfs/dbraw/zinc/66/01/60/455660160.db2.gz LRDLXAXCMDGEEE-DYVFJYSZSA-N 0 3 332.375 3.297 20 5 EGBDHN C[C@H](c1cccs1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374288 455708731 /nfs/dbraw/zinc/70/87/31/455708731.db2.gz PDMGTAMGFGKNCL-CHWSQXEVSA-N 0 3 336.413 3.089 20 5 EGBDHN CC[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000271656228 455712943 /nfs/dbraw/zinc/71/29/43/455712943.db2.gz KELOBFSOMPJSOD-KRWDZBQOSA-N 0 3 327.384 3.299 20 5 EGBDHN C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)CN(C)C ZINC000293900750 455800664 /nfs/dbraw/zinc/80/06/64/455800664.db2.gz REMWZRJFWDQEBD-ZDUSSCGKSA-N 0 3 337.423 3.021 20 5 EGBDHN C[C@H](C[C@@H](O)c1ccc(F)cc1)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285306356 455821821 /nfs/dbraw/zinc/82/18/21/455821821.db2.gz SHAJVFISQOQCAW-SEDUGSJDSA-N 0 3 347.390 3.479 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000194480820 455848622 /nfs/dbraw/zinc/84/86/22/455848622.db2.gz MNHMYFIUTAMSIX-ZDUSSCGKSA-N 0 3 333.432 3.144 20 5 EGBDHN Cc1ccc([C@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000194494263 455849976 /nfs/dbraw/zinc/84/99/76/455849976.db2.gz RTTUHUFQCSJIJR-KRWDZBQOSA-N 0 3 341.411 3.244 20 5 EGBDHN C[C@H]1COCC[C@@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000285462378 455850600 /nfs/dbraw/zinc/85/06/00/455850600.db2.gz JWSRNYANPNBRIJ-GXTWGEPZSA-N 0 3 347.440 3.481 20 5 EGBDHN COC(=O)[C@@H]1CC12CCN([C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000272273791 455898020 /nfs/dbraw/zinc/89/80/20/455898020.db2.gz DOLAUVNRHIGKEI-BBRMVZONSA-N 0 3 332.400 3.239 20 5 EGBDHN C[C@@](O)(CNCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000270231885 455908253 /nfs/dbraw/zinc/90/82/53/455908253.db2.gz AIIOQUQGBBXTCD-MRXNPFEDSA-N 0 3 338.766 3.385 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CCNC[C@@H]1c1cccc(F)c1 ZINC000261773520 455945092 /nfs/dbraw/zinc/94/50/92/455945092.db2.gz SNIAQIDWPXCBHD-ZLHKHBAESA-N 0 3 341.386 3.394 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000272633338 456021193 /nfs/dbraw/zinc/02/11/93/456021193.db2.gz XHOCLMOGGPVKHQ-CQSZACIVSA-N 0 3 348.447 3.406 20 5 EGBDHN CC(=O)c1ccc(N[C@H]2CCN(CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301483198 456126887 /nfs/dbraw/zinc/12/68/87/456126887.db2.gz XRNGGBSGAKIAHB-INIZCTEOSA-N 0 3 331.416 3.474 20 5 EGBDHN COCCO[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000188818131 456145374 /nfs/dbraw/zinc/14/53/74/456145374.db2.gz RPCFJBSQKSADNL-INIZCTEOSA-N 0 3 346.383 3.092 20 5 EGBDHN Cc1ccc(C[C@H](CO)NC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000188967571 456185775 /nfs/dbraw/zinc/18/57/75/456185775.db2.gz RPRJWSGAEDZTTM-MJICGBHWSA-N 0 3 326.396 3.110 20 5 EGBDHN Cc1ccc(CNC2CCN(CC(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000263713452 456200041 /nfs/dbraw/zinc/20/00/41/456200041.db2.gz UVQGOUMIXFJERX-UHFFFAOYSA-N 0 3 331.338 3.020 20 5 EGBDHN COc1cc(NC[C@H](C)N2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301955601 456258695 /nfs/dbraw/zinc/25/86/95/456258695.db2.gz KSBICYCUHCIJJS-NEPJUHHUSA-N 0 3 325.384 3.275 20 5 EGBDHN CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000302014127 456269326 /nfs/dbraw/zinc/26/93/26/456269326.db2.gz KZGQBBRENCEAOF-GOSISDBHSA-N 0 3 340.427 3.481 20 5 EGBDHN Cc1cnc(N(CCN(C)C)Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000347724480 456329507 /nfs/dbraw/zinc/32/95/07/456329507.db2.gz SLFOZHQCUCCPEW-UHFFFAOYSA-N 0 3 332.379 3.006 20 5 EGBDHN CCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340240077 456335219 /nfs/dbraw/zinc/33/52/19/456335219.db2.gz RCPMQVQZEVYEKD-UHFFFAOYSA-N 0 3 347.337 3.075 20 5 EGBDHN COc1cc(N[C@H](C)CN2CCCCCC2)c(F)cc1[N+](=O)[O-] ZINC000302452749 456345284 /nfs/dbraw/zinc/34/52/84/456345284.db2.gz UAEXUGRFAVMVEM-GFCCVEGCSA-N 0 3 325.384 3.419 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc4occc4c3)C2)nc1 ZINC000347844014 456400508 /nfs/dbraw/zinc/40/05/08/456400508.db2.gz AVQZOOCCMIQKGW-OAHLLOKOSA-N 0 3 338.367 3.422 20 5 EGBDHN CN(C)C1(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000353382217 456662044 /nfs/dbraw/zinc/66/20/44/456662044.db2.gz PNOYYWASDDKWRR-UHFFFAOYSA-N 0 3 333.432 3.106 20 5 EGBDHN CCOc1cc(CN[C@H]2CCC[C@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000348458027 456695833 /nfs/dbraw/zinc/69/58/33/456695833.db2.gz QAPAHHAUWZRDOW-WCQYABFASA-N 0 3 330.331 3.243 20 5 EGBDHN O=C(N[C@@H]1CCN(C2CC2)C1)c1cc2ccccc2c2cccnc12 ZINC000341001689 456807774 /nfs/dbraw/zinc/80/77/74/456807774.db2.gz ZZUUFCSMNWKUPZ-OAHLLOKOSA-N 0 3 331.419 3.355 20 5 EGBDHN O=[N+]([O-])c1cccc(CCN[C@@H](c2ccccc2)c2cncnc2)c1 ZINC000349781940 457049615 /nfs/dbraw/zinc/04/96/15/457049615.db2.gz YLTWJMGSMCJRPK-IBGZPJMESA-N 0 3 334.379 3.307 20 5 EGBDHN CC(C)CCC[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000342367220 457259685 /nfs/dbraw/zinc/25/96/85/457259685.db2.gz YAAMMJUYWIFAKX-CQSZACIVSA-N 0 3 342.461 3.173 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCCn2cc(C)nc21 ZINC000360141141 457272052 /nfs/dbraw/zinc/27/20/52/457272052.db2.gz OFKZVRGCBCEYKS-CQSZACIVSA-N 0 3 344.415 3.166 20 5 EGBDHN C[C@@H]1CCCC[C@@H]1CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000354641859 457292206 /nfs/dbraw/zinc/29/22/06/457292206.db2.gz GOPFMKCSDBGZRM-HZPDHXFCSA-N 0 3 345.443 3.179 20 5 EGBDHN COc1ccccc1[C@H]1CC[C@H](C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000352256033 457353217 /nfs/dbraw/zinc/35/32/17/457353217.db2.gz FVDPZIQRIKKKKR-GOEBONIOSA-N 0 3 344.415 3.273 20 5 EGBDHN CC(C)c1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000347363238 457376314 /nfs/dbraw/zinc/37/63/14/457376314.db2.gz RPWCTGDPFPTVOT-INIZCTEOSA-N 0 3 345.443 3.465 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(O[C@H]2CCOC2)CC1 ZINC000347367879 457378265 /nfs/dbraw/zinc/37/82/65/457378265.db2.gz NDDGUVKKIQWJOK-HVEPWOEZSA-N 0 3 346.427 3.268 20 5 EGBDHN CC(=O)N[C@@H](C)C1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347370186 457380415 /nfs/dbraw/zinc/38/04/15/457380415.db2.gz ITWICZSXYMTOKK-SZGZABIGSA-N 0 3 345.443 3.235 20 5 EGBDHN Cc1cnc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000360864270 457390684 /nfs/dbraw/zinc/39/06/84/457390684.db2.gz LLEYOMRQDAVWOD-HOCLYGCPSA-N 0 3 326.400 3.231 20 5 EGBDHN CNc1c(C(=O)Nc2cc(CN(C)C)ccc2C)cccc1[N+](=O)[O-] ZINC000360955047 457464333 /nfs/dbraw/zinc/46/43/33/457464333.db2.gz PUSOBPQUQSUIHP-UHFFFAOYSA-N 0 3 342.399 3.259 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000360961387 457468709 /nfs/dbraw/zinc/46/87/09/457468709.db2.gz QCJGQJJNBPWRDJ-CJNGLKHVSA-N 0 3 343.431 3.367 20 5 EGBDHN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H](C)CN1C ZINC000361153855 457617008 /nfs/dbraw/zinc/61/70/08/457617008.db2.gz KRQZTJUKJJMOGO-ZIAGYGMSSA-N 0 3 329.400 3.379 20 5 EGBDHN CCN(CC1CCC1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000361485509 457747516 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EGBDHN CN(C)CCN(Cc1ccsc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459288085 458316894 /nfs/dbraw/zinc/31/68/94/458316894.db2.gz FXYAMCKQCCFTDL-UHFFFAOYSA-N 0 3 348.428 3.252 20 5 EGBDHN CCCC[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000460357635 458513626 /nfs/dbraw/zinc/51/36/26/458513626.db2.gz UTGKZRSFEOYMDH-ZFWWWQNUSA-N 0 3 349.431 3.490 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000468484324 458520474 /nfs/dbraw/zinc/52/04/74/458520474.db2.gz RRUWSTWPLZUCFL-HNNXBMFYSA-N 0 3 347.459 3.370 20 5 EGBDHN COc1ccc(OCCN(C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000468497287 458522189 /nfs/dbraw/zinc/52/21/89/458522189.db2.gz WKVJQXSCGINCNF-UHFFFAOYSA-N 0 3 334.347 3.253 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(N2CCN(CC3CCCCC3)CC2)c1 ZINC000462378154 458615845 /nfs/dbraw/zinc/61/58/45/458615845.db2.gz DKLLTMOJICJOFH-UHFFFAOYSA-N 0 3 333.432 3.306 20 5 EGBDHN Cc1sc(C(=O)NC[C@H]2CCCCN2CC(C)C)cc1[N+](=O)[O-] ZINC000439692489 458742449 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EGBDHN C[C@@H](CN(C)C)Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000557748394 459104912 /nfs/dbraw/zinc/10/49/12/459104912.db2.gz KRRCFZYAMALUPV-ZDUSSCGKSA-N 0 3 327.384 3.188 20 5 EGBDHN CC1(C)CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]2CCC[C@@H]21 ZINC000590380149 459122720 /nfs/dbraw/zinc/12/27/20/459122720.db2.gz YRFUPFIHBDVJTP-KBPBESRZSA-N 0 3 332.400 3.377 20 5 EGBDHN C[C@@H](C(=O)N1CCC[C@@H]1CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000567556038 459123373 /nfs/dbraw/zinc/12/33/73/459123373.db2.gz PSPHUMAEGIYPPB-CRAIPNDOSA-N 0 3 345.443 3.175 20 5 EGBDHN CCCN1CC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000594992219 459207082 /nfs/dbraw/zinc/20/70/82/459207082.db2.gz QRZIVDCMXNMEGW-AWEZNQCLSA-N 0 3 329.400 3.429 20 5 EGBDHN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000523496268 459309210 /nfs/dbraw/zinc/30/92/10/459309210.db2.gz NURHNSWQTXOALE-GJZGRUSLSA-N 0 3 347.459 3.252 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@](C)(CO)Cc1ccccc1 ZINC000483634617 459377955 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Cc1cccc(C[C@@H](CO)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000527214750 459610129 /nfs/dbraw/zinc/61/01/29/459610129.db2.gz XVFBWEMVDYQWNB-WBVHZDCISA-N 0 3 328.412 3.466 20 5 EGBDHN Cc1c(NC(=O)CCN2CCC[C@@H](OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000593055893 459758683 /nfs/dbraw/zinc/75/86/83/459758683.db2.gz SXOQSNNVYZTLBU-OAHLLOKOSA-N 0 3 349.431 3.121 20 5 EGBDHN CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H](CC)CO1 ZINC000593058747 459759293 /nfs/dbraw/zinc/75/92/93/459759293.db2.gz NQVGHZFUKVMISY-GDBMZVCRSA-N 0 3 349.431 3.121 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CCN1CCCCC1 ZINC000593189627 459801977 /nfs/dbraw/zinc/80/19/77/459801977.db2.gz WBDJSKNKLOCYOX-UHFFFAOYSA-N 0 3 334.420 3.161 20 5 EGBDHN CCCOc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000574860466 459883619 /nfs/dbraw/zinc/88/36/19/459883619.db2.gz QOFHPVMENIVSQY-UHFFFAOYSA-N 0 3 344.415 3.417 20 5 EGBDHN CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000602464126 459950337 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CC[C@@H](CN1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000609839725 460027449 /nfs/dbraw/zinc/02/74/49/460027449.db2.gz FTADSMNMWHTRPT-NSHDSACASA-N 0 3 340.811 3.244 20 5 EGBDHN C[C@@H]1C[C@@H](CCNCc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000602652831 460045291 /nfs/dbraw/zinc/04/52/91/460045291.db2.gz LEMXMCHJOCFDFQ-CLLJXQQHSA-N 0 3 333.388 3.419 20 5 EGBDHN COc1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccc1C ZINC000618567126 460063137 /nfs/dbraw/zinc/06/31/37/460063137.db2.gz VSEMGAKOGQINMM-CVEARBPZSA-N 0 3 344.415 3.382 20 5 EGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[C@@H](CCCO)C1 ZINC000602687696 460067340 /nfs/dbraw/zinc/06/73/40/460067340.db2.gz YTPVOYNUHMQMHS-LLVKDONJSA-N 0 3 332.322 3.208 20 5 EGBDHN CN(CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC(F)F ZINC000599023004 460129612 /nfs/dbraw/zinc/12/96/12/460129612.db2.gz PMOZSKIYZOFWHR-UHFFFAOYSA-N 0 3 339.342 3.141 20 5 EGBDHN CCC(C)(C)N1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000594213637 460153793 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O=[N+]([O-])c1cc(F)cnc1NC[C@H](c1ccccc1)N1CCCC1 ZINC001156531113 1380589437 /nfs/dbraw/zinc/58/94/37/1380589437.db2.gz NFJCBZSFVSQLLT-MRXNPFEDSA-N 0 3 330.363 3.378 20 5 EGBDHN CN1CCC[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001157266790 1380828009 /nfs/dbraw/zinc/82/80/09/1380828009.db2.gz XFKWZEZIMRACAU-BXUZGUMPSA-N 0 3 346.818 3.327 20 5 EGBDHN CN1CCC[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]21 ZINC001157266793 1380828034 /nfs/dbraw/zinc/82/80/34/1380828034.db2.gz XFKWZEZIMRACAU-SMDDNHRTSA-N 0 3 346.818 3.327 20 5 EGBDHN O=[N+]([O-])c1cnc(N2CCN[C@H](c3ccccc3)C2)c2ccccc21 ZINC001157759953 1381024815 /nfs/dbraw/zinc/02/48/15/1381024815.db2.gz ZCAYQYWPDFNYQD-KRWDZBQOSA-N 0 3 334.379 3.294 20 5 EGBDHN O=[N+]([O-])c1cc([O-])cc(Nc2c(F)cccc2OC2CC[NH2+]CC2)c1 ZINC001160149602 1382016702 /nfs/dbraw/zinc/01/67/02/1382016702.db2.gz RJQVKNSZITWLBG-UHFFFAOYSA-N 0 3 347.346 3.314 20 5 EGBDHN NCc1ccc(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)cn1 ZINC001160406914 1382096612 /nfs/dbraw/zinc/09/66/12/1382096612.db2.gz YRGRDESSPFMERI-UHFFFAOYSA-N 0 3 339.330 3.393 20 5 EGBDHN CC/C(C)=C/C(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001164447471 1383187506 /nfs/dbraw/zinc/18/75/06/1383187506.db2.gz LUYGNXBDKMGOEM-NTCAYCPXSA-N 0 3 345.443 3.327 20 5 EGBDHN COc1ccc(C[C@H](C)NCc2ccc(Cl)cn2)c([N+](=O)[O-])c1 ZINC001170307814 1384286926 /nfs/dbraw/zinc/28/69/26/1384286926.db2.gz IDBPFXVSLZLCKA-NSHDSACASA-N 0 3 335.791 3.373 20 5 EGBDHN C[C@H](Nc1nc2c(ccc3ccccc32)nc1Cl)[C@H]1CNCCO1 ZINC001170568450 1384343996 /nfs/dbraw/zinc/34/39/96/1384343996.db2.gz HYYQKTBXKMWUEI-XHDPSFHLSA-N 0 3 342.830 3.225 20 5 EGBDHN CCCN(CC(=O)OCC)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918664 1384878675 /nfs/dbraw/zinc/87/86/75/1384878675.db2.gz CBAFCAFGQLLDCQ-INIZCTEOSA-N 0 3 334.416 3.117 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001173223047 1384938896 /nfs/dbraw/zinc/93/88/96/1384938896.db2.gz WWHODNKFHFHYGS-JMSVASOKSA-N 0 3 346.349 3.161 20 5 EGBDHN Cc1nc([C@@H]2CCCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001173223133 1384938940 /nfs/dbraw/zinc/93/89/40/1384938940.db2.gz YJMYWYAANNVIQY-SWLSCSKDSA-N 0 3 330.388 3.097 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2)CC1 ZINC001173222441 1384939257 /nfs/dbraw/zinc/93/92/57/1384939257.db2.gz RRGRCGCHSXPKOP-QGZVFWFLSA-N 0 3 339.439 3.344 20 5 EGBDHN CCOC(=O)C1(C)CCN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173227046 1384940215 /nfs/dbraw/zinc/94/02/15/1384940215.db2.gz MNJQNZLFZHHRSO-CQSZACIVSA-N 0 3 334.416 3.191 20 5 EGBDHN CS[C@H]1CC[C@@H](N(C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC001319788288 1386296392 /nfs/dbraw/zinc/29/63/92/1386296392.db2.gz XOFUNMOAJPJZPG-OCCSQVGLSA-N 0 3 334.445 3.426 20 5 EGBDHN CN(Cc1cc2ccccc2[nH]1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001319965517 1386423114 /nfs/dbraw/zinc/42/31/14/1386423114.db2.gz NYTWWGBHZBARHY-GOSISDBHSA-N 0 3 325.368 3.242 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2nc([C@@H]3CN4CCC3CC4)no2)c(Cl)c1 ZINC001320326236 1386576167 /nfs/dbraw/zinc/57/61/67/1386576167.db2.gz FMUXHWUVXWLLMS-GFCCVEGCSA-N 0 3 334.763 3.107 20 5 EGBDHN C[C@H](NCc1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCCOC1 ZINC001334772343 1390585448 /nfs/dbraw/zinc/58/54/48/1390585448.db2.gz NEGWDMRWZQLVGQ-WDEREUQCSA-N 0 3 343.221 3.262 20 5 EGBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc(C)n1 ZINC001345235020 1390850543 /nfs/dbraw/zinc/85/05/43/1390850543.db2.gz YKKAKXAIHLRDRD-WBMJQRKESA-N 0 3 332.331 3.401 20 5 EGBDHN CC(C)(C)/C=C\C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001754978542 1440720716 /nfs/dbraw/zinc/72/07/16/1440720716.db2.gz KCIQPSCIKCIVIN-FLIBITNWSA-N 0 3 345.443 3.326 20 5 EGBDHN CCC(C)(C)C(=O)N[C@H]1C[C@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC001755477330 1440859624 /nfs/dbraw/zinc/85/96/24/1440859624.db2.gz QLLZQJKQJZBOIQ-AULYBMBSSA-N 0 3 339.461 3.077 20 5 EGBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@@H](C)CN1C ZINC000485417188 719254798 /nfs/dbraw/zinc/25/47/98/719254798.db2.gz PRXNVKDCVUUWLO-STQMWFEESA-N 0 3 344.390 3.325 20 5 EGBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCN(C2CCCC2)CC1 ZINC000473517758 721858147 /nfs/dbraw/zinc/85/81/47/721858147.db2.gz JZBLEUGMDKCKEQ-UHFFFAOYSA-N 0 3 326.400 3.208 20 5 EGBDHN CC[C@H](N[C@@H]1CCN(c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181703663 529658862 /nfs/dbraw/zinc/65/88/62/529658862.db2.gz UBEQYVLYEXONLP-WBVHZDCISA-N 0 3 326.400 3.309 20 5 EGBDHN Cc1c(NC(=O)CCN[C@H](C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000181558268 234231233 /nfs/dbraw/zinc/23/12/33/234231233.db2.gz VJRFNBPTTOKTJD-CYBMUJFWSA-N 0 3 343.383 3.288 20 5 EGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000072086683 201174334 /nfs/dbraw/zinc/17/43/34/201174334.db2.gz UOQZJXFEBBJOSK-MRXNPFEDSA-N 0 3 339.395 3.446 20 5 EGBDHN CC(C)N1CCC(N(C)C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000267325698 201223785 /nfs/dbraw/zinc/22/37/85/201223785.db2.gz DUFPJFNVCLKSNH-UHFFFAOYSA-N 0 3 339.823 3.193 20 5 EGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000301604283 201358420 /nfs/dbraw/zinc/35/84/20/201358420.db2.gz XOUHDLMOIPIVQR-HOCLYGCPSA-N 0 3 326.400 3.312 20 5 EGBDHN CC(C)(C)[C@H](CCO)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000231073668 242265860 /nfs/dbraw/zinc/26/58/60/242265860.db2.gz SZFLFHUEFIUAKC-ZDUSSCGKSA-N 0 3 345.237 3.244 20 5 EGBDHN CO[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000072925182 203251448 /nfs/dbraw/zinc/25/14/48/203251448.db2.gz UFBRNRQXOPHUSC-INIZCTEOSA-N 0 3 346.431 3.146 20 5 EGBDHN CN(CC1CCN(C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000103503733 204081570 /nfs/dbraw/zinc/08/15/70/204081570.db2.gz ZMDDFBDRTDZRPK-UHFFFAOYSA-N 0 3 340.811 3.054 20 5 EGBDHN CCN1CCC(N(C)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000042690720 204125958 /nfs/dbraw/zinc/12/59/58/204125958.db2.gz HBOBRBNWSOXFBA-UHFFFAOYSA-N 0 3 342.237 3.278 20 5 EGBDHN C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCOC1 ZINC000266158500 248137477 /nfs/dbraw/zinc/13/74/77/248137477.db2.gz MRDZAWHFSYGSTK-DGCLKSJQSA-N 0 3 333.413 3.233 20 5 EGBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccs2)cc([N+](=O)[O-])c1 ZINC000175665159 207148206 /nfs/dbraw/zinc/14/82/06/207148206.db2.gz LVQKRLJZYSGYIW-UHFFFAOYSA-N 0 3 347.440 3.169 20 5 EGBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H](N2CCCCC2)C1 ZINC000264566774 285080594 /nfs/dbraw/zinc/08/05/94/285080594.db2.gz GRRSTGAYDUCZGP-CQSZACIVSA-N 0 3 326.400 3.208 20 5 EGBDHN CC(C)C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N(C)C ZINC000358028977 141379614 /nfs/dbraw/zinc/37/96/14/141379614.db2.gz QEEVXOMAKFFOJF-CQSZACIVSA-N 0 3 333.388 3.047 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000192539317 144176407 /nfs/dbraw/zinc/17/64/07/144176407.db2.gz DUXYJGAUPYWADP-HNNXBMFYSA-N 0 3 331.420 3.143 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1c[nH]c2ncccc12 ZINC000344851425 144231072 /nfs/dbraw/zinc/23/10/72/144231072.db2.gz UQTFZEYVRTZOFV-UHFFFAOYSA-N 0 3 340.383 3.202 20 5 EGBDHN Cc1c(NC(=O)NC[C@H](C)N2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000337339994 154294186 /nfs/dbraw/zinc/29/41/86/154294186.db2.gz OZDQCAAREGXWOH-OLZOCXBDSA-N 0 3 334.420 3.288 20 5 EGBDHN CC(C)CCSc1ccc(C(=O)NCCN(C)C)cc1[N+](=O)[O-] ZINC000339863456 155009637 /nfs/dbraw/zinc/00/96/37/155009637.db2.gz GLMSJTUKRYMZIZ-UHFFFAOYSA-N 0 3 339.461 3.024 20 5 EGBDHN CCN(CC)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000345423905 156097615 /nfs/dbraw/zinc/09/76/15/156097615.db2.gz FQKRRDJJHYIXRN-UHFFFAOYSA-N 0 3 330.388 3.027 20 5 EGBDHN CN(C)CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1F ZINC000349033651 156324311 /nfs/dbraw/zinc/32/43/11/156324311.db2.gz AHEJTNAJYNPPAN-UHFFFAOYSA-N 0 3 349.381 3.437 20 5 EGBDHN Cc1ccc(CN(CCN(C)C)Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000349036967 156327779 /nfs/dbraw/zinc/32/77/79/156327779.db2.gz QHPYTUDVNBFRLK-UHFFFAOYSA-N 0 3 331.416 3.368 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](c2nccn2C)C1 ZINC000349155597 156368790 /nfs/dbraw/zinc/36/87/90/156368790.db2.gz WBVXVLYRAKDHSO-HFQYIWAZSA-N 0 3 326.400 3.221 20 5 EGBDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000093480770 162012689 /nfs/dbraw/zinc/01/26/89/162012689.db2.gz CRFLUSMCZBJGGT-KBPBESRZSA-N 0 3 328.416 3.473 20 5 EGBDHN CN(c1ccccc1)c1ccc(CNCC(C)(C)O)cc1[N+](=O)[O-] ZINC000111385511 162154979 /nfs/dbraw/zinc/15/49/79/162154979.db2.gz FRDQHAPNHRQCCG-UHFFFAOYSA-N 0 3 329.400 3.223 20 5 EGBDHN CC[C@@H](NCCC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000129292753 162352339 /nfs/dbraw/zinc/35/23/39/162352339.db2.gz DEXDMOAPPKNULN-GOSISDBHSA-N 0 3 341.411 3.342 20 5 EGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000131309812 162397986 /nfs/dbraw/zinc/39/79/86/162397986.db2.gz AKLWPHZGLASYBX-AWEZNQCLSA-N 0 3 349.456 3.017 20 5 EGBDHN O=C(CCN1CC[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000337049937 163115541 /nfs/dbraw/zinc/11/55/41/163115541.db2.gz QZUFQONYFBGBAW-MRXNPFEDSA-N 0 3 325.368 3.370 20 5 EGBDHN O=[N+]([O-])c1ccc(CNCCc2c[nH]c3ncccc23)c(Cl)c1 ZINC000344350392 164162176 /nfs/dbraw/zinc/16/21/76/164162176.db2.gz IQQBTRGPRFZLDG-UHFFFAOYSA-N 0 3 330.775 3.457 20 5 EGBDHN O=[N+]([O-])c1cc(F)c(CN[C@H]2CCCC23CCOCC3)c(F)c1 ZINC000352372967 165368356 /nfs/dbraw/zinc/36/83/56/165368356.db2.gz ZSTGJTBGHWQQKN-HNNXBMFYSA-N 0 3 326.343 3.312 20 5 EGBDHN CCc1nn(C)c(N[C@@H]2CCN([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000359503720 167173939 /nfs/dbraw/zinc/17/39/39/167173939.db2.gz AFKIDWIAEZOFSO-UKRRQHHQSA-N 0 3 343.431 3.138 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1ccco1 ZINC000359547368 167188259 /nfs/dbraw/zinc/18/82/59/167188259.db2.gz SAUNZVDCDXHWPQ-HIFRSBDPSA-N 0 3 345.399 3.355 20 5 EGBDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000359565408 167195338 /nfs/dbraw/zinc/19/53/38/167195338.db2.gz USEFLCQNTOIHNU-WDEREUQCSA-N 0 3 337.401 3.109 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000359569451 167195881 /nfs/dbraw/zinc/19/58/81/167195881.db2.gz YOSMXXPZSKQFSD-HIFRSBDPSA-N 0 3 345.399 3.355 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(NCC2(N3CCSCC3)CCCC2)n1 ZINC000360676293 167385661 /nfs/dbraw/zinc/38/56/61/167385661.db2.gz OJZCBQORRNEVGV-UHFFFAOYSA-N 0 3 336.461 3.072 20 5 EGBDHN Cc1cc(C(=O)N(CCN(C)C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000193789473 266063349 /nfs/dbraw/zinc/06/33/49/266063349.db2.gz WVMCHFYSMFJKFA-UHFFFAOYSA-N 0 3 333.432 3.240 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000269643086 266332745 /nfs/dbraw/zinc/33/27/45/266332745.db2.gz JUASXUHSMLDXHD-YJBOKZPZSA-N 0 3 330.359 3.257 20 5 EGBDHN COC(=O)[C@H]1CC12CCN([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000272273800 266806072 /nfs/dbraw/zinc/80/60/72/266806072.db2.gz DOLAUVNRHIGKEI-CZUORRHYSA-N 0 3 332.400 3.239 20 5 EGBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1N(C)C ZINC000347795328 274182554 /nfs/dbraw/zinc/18/25/54/274182554.db2.gz URPMZUYVDRBLAV-CHWSQXEVSA-N 0 3 349.378 3.095 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000047452598 275141723 /nfs/dbraw/zinc/14/17/23/275141723.db2.gz FJHRLMNILKKAMN-FLIBITNWSA-N 0 3 325.368 3.308 20 5 EGBDHN CC1(C)C[C@H](NCCC(=O)N2CCCCC2)c2cc([N+](=O)[O-])ccc21 ZINC000279146079 275307808 /nfs/dbraw/zinc/30/78/08/275307808.db2.gz SIFPZMKVOSAZPI-KRWDZBQOSA-N 0 3 345.443 3.309 20 5 EGBDHN C[S@@](=O)C1(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000281194027 275529100 /nfs/dbraw/zinc/52/91/00/275529100.db2.gz XURCKFOQOZAYIJ-NPMXOYFQSA-N 0 3 336.457 3.208 20 5 EGBDHN CC1(C)C[C@H](N[C@@H]2CC(=O)N3CCCC[C@H]23)c2cc([N+](=O)[O-])ccc21 ZINC000338021468 276148770 /nfs/dbraw/zinc/14/87/70/276148770.db2.gz UHXFSIHKCAMREI-IXDOHACOSA-N 0 3 343.427 3.060 20 5 EGBDHN Cc1ccc([C@H](CNc2ccc(N)cc2[N+](=O)[O-])N2CCCC2)o1 ZINC000288074300 276180688 /nfs/dbraw/zinc/18/06/88/276180688.db2.gz VLMNQBIQSPKUBG-INIZCTEOSA-N 0 3 330.388 3.327 20 5 EGBDHN C[C@H](NC[C@@]1(CO)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000289600431 276364333 /nfs/dbraw/zinc/36/43/33/276364333.db2.gz CPPUFKQHUUMCAM-ZOCIIQOWSA-N 0 3 326.396 3.412 20 5 EGBDHN NC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289601557 276364344 /nfs/dbraw/zinc/36/43/44/276364344.db2.gz SXURVGVSCYGJIU-PWSUYJOCSA-N 0 3 346.214 3.035 20 5 EGBDHN C[C@H](NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000289600425 276364484 /nfs/dbraw/zinc/36/44/84/276364484.db2.gz CPPUFKQHUUMCAM-GDIGMMSISA-N 0 3 326.396 3.412 20 5 EGBDHN NC(=O)[C@@H]1CCCC[C@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289601577 276364542 /nfs/dbraw/zinc/36/45/42/276364542.db2.gz SXURVGVSCYGJIU-ZYHUDNBSSA-N 0 3 346.214 3.035 20 5 EGBDHN CC[C@H](NCCC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000129124138 276636139 /nfs/dbraw/zinc/63/61/39/276636139.db2.gz FZCOOWVQFJPYPN-KRWDZBQOSA-N 0 3 333.432 3.428 20 5 EGBDHN CC(C)(NCc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000080346936 307432970 /nfs/dbraw/zinc/43/29/70/307432970.db2.gz ZHJLMPKRDRMXAW-UHFFFAOYSA-N 0 3 328.368 3.391 20 5 EGBDHN CCC[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000255036185 308038064 /nfs/dbraw/zinc/03/80/64/308038064.db2.gz DELODEDGWIPXGY-KKMIYCERSA-N 0 3 347.459 3.041 20 5 EGBDHN Cc1cc(Cl)c(C(=O)N[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000294746733 308252698 /nfs/dbraw/zinc/25/26/98/308252698.db2.gz CUXXOGYENKQFRV-LBPRGKRZSA-N 0 3 339.823 3.161 20 5 EGBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CCN(C2CC2)C1 ZINC000294897779 308268902 /nfs/dbraw/zinc/26/89/02/308268902.db2.gz HVIJVDJHVMPQIT-NSHDSACASA-N 0 3 341.358 3.117 20 5 EGBDHN Cc1cc(Cl)c(C(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000295961008 308379147 /nfs/dbraw/zinc/37/91/47/308379147.db2.gz MTGUVYIXQTYMTJ-UHFFFAOYSA-N 0 3 339.823 3.113 20 5 EGBDHN CCc1ccccc1[C@H](N)CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414718188 309097238 /nfs/dbraw/zinc/09/72/38/309097238.db2.gz YUFNLTCOZVJDIZ-OAHLLOKOSA-N 0 3 342.399 3.287 20 5 EGBDHN Cc1cc(F)ccc1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000298233772 308595768 /nfs/dbraw/zinc/59/57/68/308595768.db2.gz HWEWSIDPHSQHBB-UHFFFAOYSA-N 0 3 332.379 3.118 20 5 EGBDHN COC1CCN(CCNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301573206 308705799 /nfs/dbraw/zinc/70/57/99/308705799.db2.gz YVVYWQLMQPMEMQ-UHFFFAOYSA-N 0 3 347.337 3.136 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)cnc1N1CCN(CC2CCCCC2)CC1 ZINC000301746775 308713616 /nfs/dbraw/zinc/71/36/16/308713616.db2.gz QGHOIGNEVRFBOB-UHFFFAOYSA-N 0 3 338.839 3.346 20 5 EGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413175123 309019598 /nfs/dbraw/zinc/01/95/98/309019598.db2.gz QWBZYGYLLSUKRY-SUMWQHHRSA-N 0 3 344.390 3.451 20 5 EGBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CN1C1CC1 ZINC000413185716 309020340 /nfs/dbraw/zinc/02/03/40/309020340.db2.gz NQNGFTDBHDWOOD-RKDXNWHRSA-N 0 3 330.310 3.046 20 5 EGBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCCCN2C2CC2)c(C(F)(F)F)c1 ZINC000413267009 309024302 /nfs/dbraw/zinc/02/43/02/309024302.db2.gz PGDZXJJTQBFGTK-LLVKDONJSA-N 0 3 344.337 3.437 20 5 EGBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2NCCc3ccccc32)c(Cl)c1 ZINC000414954667 309111306 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Cc1c([C@H](C)NC[C@@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000423414353 309399242 /nfs/dbraw/zinc/39/92/42/309399242.db2.gz CBVIDAPGSGFZOS-KSSFIOAISA-N 0 3 325.412 3.441 20 5 EGBDHN O=[N+]([O-])c1cc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)cs1 ZINC000428545821 309554797 /nfs/dbraw/zinc/55/47/97/309554797.db2.gz LCXGBVCACAYOCR-GOEBONIOSA-N 0 3 336.388 3.051 20 5 EGBDHN CC[C@H]1CN(CCN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000433064728 309677511 /nfs/dbraw/zinc/67/75/11/309677511.db2.gz CEZRCZIESHBPPY-YJBOKZPZSA-N 0 3 347.459 3.018 20 5 EGBDHN CCC1(CC)[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)[C@H]1OC ZINC000444695202 309926350 /nfs/dbraw/zinc/92/63/50/309926350.db2.gz DUYYCZIBTIZXOT-SSKCKEOISA-N 0 3 346.431 3.400 20 5 EGBDHN CCO[C@@H]1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@]12CCCO2 ZINC000447595391 309983695 /nfs/dbraw/zinc/98/36/95/309983695.db2.gz NGCXTNNFNABKDB-FCGDIQPGSA-N 0 3 346.427 3.288 20 5 EGBDHN Cc1ccc(C[C@@H](CO)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447598542 309983890 /nfs/dbraw/zinc/98/38/90/309983890.db2.gz VMQHKYSXPSZUOI-FXAWDEMLSA-N 0 3 340.423 3.474 20 5 EGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000449237749 310046686 /nfs/dbraw/zinc/04/66/86/310046686.db2.gz CWMQZGPZXNHDPS-ZBFHGGJFSA-N 0 3 345.443 3.049 20 5 EGBDHN COc1ccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449504872 310067459 /nfs/dbraw/zinc/06/74/59/310067459.db2.gz WLFRRGSXIXKUCQ-INIZCTEOSA-N 0 3 327.384 3.378 20 5 EGBDHN CC(C)(C(=O)Nc1ccc2c(c1)CNC2)c1ccc([N+](=O)[O-])cc1 ZINC000449674148 310079968 /nfs/dbraw/zinc/07/99/68/310079968.db2.gz SJVXZWXKAMBOKR-UHFFFAOYSA-N 0 3 325.368 3.114 20 5 EGBDHN Cc1ccccc1[C@@H]([C@H](C)Nc1ncc([N+](=O)[O-])c(C)n1)N(C)C ZINC000450537347 310128798 /nfs/dbraw/zinc/12/87/98/310128798.db2.gz XADGBPOHCRLMNX-XJKSGUPXSA-N 0 3 329.404 3.105 20 5 EGBDHN O=C(CN[C@@H]1CCC12CCCC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000451464231 310179564 /nfs/dbraw/zinc/17/95/64/310179564.db2.gz YLKXAIMBOSMDOG-CQSZACIVSA-N 0 3 337.807 3.499 20 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/nfs/dbraw/zinc/56/96/25/310569625.db2.gz MGEYAPKBPMRINB-OAHLLOKOSA-N 0 3 342.395 3.259 20 5 EGBDHN Nc1c(F)c(NC2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000471245385 310735508 /nfs/dbraw/zinc/73/55/08/310735508.db2.gz HMLFQUQGWBMSQX-UHFFFAOYSA-N 0 3 344.390 3.393 20 5 EGBDHN Cc1cccc(C(=O)NCCN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000480908251 310902818 /nfs/dbraw/zinc/90/28/18/310902818.db2.gz FVSWNQSVNKWSIN-OAHLLOKOSA-N 0 3 341.411 3.292 20 5 EGBDHN CO[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H]1OC ZINC000488547957 311070826 /nfs/dbraw/zinc/07/08/26/311070826.db2.gz TVVABJAWFWLULS-HZPDHXFCSA-N 0 3 348.424 3.169 20 5 EGBDHN CN1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1 ZINC000488776001 311079811 /nfs/dbraw/zinc/07/98/11/311079811.db2.gz MXPXLDXMOOUCNA-IBGZPJMESA-N 0 3 338.411 3.189 20 5 EGBDHN C[C@@H](CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])CN(C)C ZINC000488987561 311088109 /nfs/dbraw/zinc/08/81/09/311088109.db2.gz UFVXDNSURCGTRW-AWEZNQCLSA-N 0 3 341.411 3.435 20 5 EGBDHN Cc1cscc1CN[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494490400 311483109 /nfs/dbraw/zinc/48/31/09/311483109.db2.gz CLDZPXOCEPMTIW-GFCCVEGCSA-N 0 3 333.413 3.472 20 5 EGBDHN CN(CCc1ccc([N+](=O)[O-])cc1)C[C@H]1OCCc2ccccc21 ZINC000507254611 312066080 /nfs/dbraw/zinc/06/60/80/312066080.db2.gz HABIHXXUAFOHGJ-LJQANCHMSA-N 0 3 326.396 3.383 20 5 EGBDHN CN(C)CCOc1ccc(CCNc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000511381842 312158881 /nfs/dbraw/zinc/15/88/81/312158881.db2.gz JTRQJENWJIJWTJ-UHFFFAOYSA-N 0 3 347.390 3.329 20 5 EGBDHN Cc1cc(C)c(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000514856269 312249646 /nfs/dbraw/zinc/24/96/46/312249646.db2.gz WXJXCVDVJMLBER-INIZCTEOSA-N 0 3 344.411 3.050 20 5 EGBDHN Cc1ccc([C@H](C)N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000515251230 312273264 /nfs/dbraw/zinc/27/32/64/312273264.db2.gz FLMBGRUVNFLBQT-MAUKXSAKSA-N 0 3 344.411 3.336 20 5 EGBDHN O=[N+]([O-])c1cnn(CCS[C@@H]2CCCN(Cc3ccccc3)C2)c1 ZINC000517741465 312391176 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CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](N3CCCCC3)C2)c1 ZINC000264658118 455257759 /nfs/dbraw/zinc/25/77/59/455257759.db2.gz YCRQIJLPYXBHIF-CYBMUJFWSA-N 0 3 349.456 3.017 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)N(C)CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000189944057 455258232 /nfs/dbraw/zinc/25/82/32/455258232.db2.gz GMAUCWGJGNSQSR-AWEZNQCLSA-N 0 3 348.447 3.090 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CCC[C@H]3CCO)o2)c1 ZINC000189978038 455265252 /nfs/dbraw/zinc/26/52/52/455265252.db2.gz GGFKJNWOOINKKU-SUMWQHHRSA-N 0 3 330.384 3.496 20 5 EGBDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173436578 455283163 /nfs/dbraw/zinc/28/31/63/455283163.db2.gz JPKXUUVKMNBARH-KMFMINBZSA-N 0 3 343.427 3.137 20 5 EGBDHN COc1ccc(NC(=O)CCN[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000181358162 455322424 /nfs/dbraw/zinc/32/24/24/455322424.db2.gz DABJKWNOGOHQJI-CYBMUJFWSA-N 0 3 343.383 3.283 20 5 EGBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000015171284 453561212 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O=[N+]([O-])c1ccc(OCCN2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000076758412 454033874 /nfs/dbraw/zinc/03/38/74/454033874.db2.gz WCVRFXNSOCGMCJ-INIZCTEOSA-N 0 3 327.384 3.160 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOCC(F)F)o2)cc1 ZINC000190900578 455401773 /nfs/dbraw/zinc/40/17/73/455401773.db2.gz QWDPGGMDBJSKET-UHFFFAOYSA-N 0 3 326.299 3.226 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCCC3)CC2)c2ccncc21 ZINC000045026693 454133772 /nfs/dbraw/zinc/13/37/72/454133772.db2.gz PZNGTCUMMNLNKD-UHFFFAOYSA-N 0 3 326.400 3.208 20 5 EGBDHN C[C@@H](NC(=O)N1CCCN(C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000057615767 454137572 /nfs/dbraw/zinc/13/75/72/454137572.db2.gz FZXRISDRVSFHGO-CQSZACIVSA-N 0 3 348.447 3.172 20 5 EGBDHN CC(=O)NCCc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000089513231 454157653 /nfs/dbraw/zinc/15/76/53/454157653.db2.gz WJYQDCBUDQCASZ-CQSZACIVSA-N 0 3 341.411 3.124 20 5 EGBDHN Cc1cnc(N2CC[C@@H](N(C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078670434 454295761 /nfs/dbraw/zinc/29/57/61/454295761.db2.gz RFIZGVITTSYMLS-MRXNPFEDSA-N 0 3 326.400 3.009 20 5 EGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@H](c1ccc(F)cc1)C1CCC1 ZINC000090554088 454320825 /nfs/dbraw/zinc/32/08/25/454320825.db2.gz CMXGZMYFHJANBV-SFHVURJKSA-N 0 3 345.374 3.027 20 5 EGBDHN COc1ccc2c(c1)OC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000090964637 454355227 /nfs/dbraw/zinc/35/52/27/454355227.db2.gz MULAWTBXKMKADY-DOMZBBRYSA-N 0 3 328.368 3.258 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N[C@H]1CCCC1(C)C ZINC000097105561 454408183 /nfs/dbraw/zinc/40/81/83/454408183.db2.gz BBOOETYAHNXYAT-ABAIWWIYSA-N 0 3 335.404 3.099 20 5 EGBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCN(Cc3cccs3)C2)nc1 ZINC000064550835 454490850 /nfs/dbraw/zinc/49/08/50/454490850.db2.gz POULMZGSZBLWDV-ZDUSSCGKSA-N 0 3 332.429 3.375 20 5 EGBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCCO2 ZINC000051588940 454631945 /nfs/dbraw/zinc/63/19/45/454631945.db2.gz OBJIPQGPFGTDLH-UHFFFAOYSA-N 0 3 328.368 3.041 20 5 EGBDHN Cc1c(NC(=O)CCN(C)Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000080919265 454647361 /nfs/dbraw/zinc/64/73/61/454647361.db2.gz IQKBJRSZHOOSGJ-UHFFFAOYSA-N 0 3 343.383 3.069 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@@H]2Cc2ccccc2Cl)n1 ZINC000176216662 454713296 /nfs/dbraw/zinc/71/32/96/454713296.db2.gz XGNZBOHPBKDWPP-CQSZACIVSA-N 0 3 334.807 3.152 20 5 EGBDHN COC[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])C(C)C ZINC000162190434 454757900 /nfs/dbraw/zinc/75/79/00/454757900.db2.gz NTUDWACLJUDKCW-LBPRGKRZSA-N 0 3 331.210 3.118 20 5 EGBDHN Cc1nn(C)c(NC[C@@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000142818656 454839186 /nfs/dbraw/zinc/83/91/86/454839186.db2.gz OBXSLJOCNDHCGO-ZDUSSCGKSA-N 0 3 349.460 3.022 20 5 EGBDHN C[C@@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000178205942 454942797 /nfs/dbraw/zinc/94/27/97/454942797.db2.gz UKGKIKNEBJSRRH-ZIAGYGMSSA-N 0 3 327.384 3.315 20 5 EGBDHN COc1ccc([C@@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000155198973 454974001 /nfs/dbraw/zinc/97/40/01/454974001.db2.gz MEURGJIYYWDSPN-MRXNPFEDSA-N 0 3 342.395 3.472 20 5 EGBDHN CC1CCC(N2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000115566870 455021079 /nfs/dbraw/zinc/02/10/79/455021079.db2.gz ZVPAEYIPYBPROP-UHFFFAOYSA-N 0 3 347.459 3.170 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(N(C)C[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000128107027 455025929 /nfs/dbraw/zinc/02/59/29/455025929.db2.gz RQLRDSRZOVDWBH-QGZVFWFLSA-N 0 3 340.427 3.257 20 5 EGBDHN O=[N+]([O-])c1cccc(CN(Cc2ccccc2)[C@H](CO)C2CC2)c1 ZINC000155919356 455062649 /nfs/dbraw/zinc/06/26/49/455062649.db2.gz VCDMHALBWVYJRB-LJQANCHMSA-N 0 3 326.396 3.368 20 5 EGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CNC1(c2ccccc2)CCC1 ZINC000182046834 455423022 /nfs/dbraw/zinc/42/30/22/455423022.db2.gz QEWBTAJGQDGNPS-MRXNPFEDSA-N 0 3 342.395 3.004 20 5 EGBDHN C[C@@H](c1ccccc1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182178134 455453564 /nfs/dbraw/zinc/45/35/64/455453564.db2.gz SVDMQRWWHJYDCT-HOCLYGCPSA-N 0 3 330.384 3.028 20 5 EGBDHN CCOC(=O)[C@@](C)(CNCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000191638930 455506373 /nfs/dbraw/zinc/50/63/73/455506373.db2.gz HVWZESONQGEEGJ-IBGZPJMESA-N 0 3 342.395 3.205 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000182497766 455526141 /nfs/dbraw/zinc/52/61/41/455526141.db2.gz KFBLGIYXUCNLQG-BJJXKVORSA-N 0 3 347.415 3.052 20 5 EGBDHN CN(C)CCN(Cc1cccc(Cl)c1)c1ncc([N+](=O)[O-])s1 ZINC000192488714 455630011 /nfs/dbraw/zinc/63/00/11/455630011.db2.gz FKVGKRZMVSEPCC-UHFFFAOYSA-N 0 3 340.836 3.273 20 5 EGBDHN O=C(CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)NC1CCCCC1 ZINC000192708940 455675319 /nfs/dbraw/zinc/67/53/19/455675319.db2.gz GZWMNELNHBMJHS-GOSISDBHSA-N 0 3 345.443 3.401 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)c1cccc(F)c1)CCC2 ZINC000192745106 455684412 /nfs/dbraw/zinc/68/44/12/455684412.db2.gz DQYSTEFIPDVDLF-ZWKOTPCHSA-N 0 3 330.359 3.435 20 5 EGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1OCCc2sccc21 ZINC000292548973 455693842 /nfs/dbraw/zinc/69/38/42/455693842.db2.gz YIYKNHZVCAHMCL-PXAZEXFGSA-N 0 3 348.424 3.327 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1SCCN(C)Cc1ccccc1 ZINC000192929370 455721075 /nfs/dbraw/zinc/72/10/75/455721075.db2.gz KARBJLRUFVLLFN-UHFFFAOYSA-N 0 3 334.445 3.344 20 5 EGBDHN Cc1nn(C(C)(C)C)c(C)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000270251080 455912892 /nfs/dbraw/zinc/91/28/92/455912892.db2.gz RPPTXTIUCHVNGW-UHFFFAOYSA-N 0 3 330.432 3.495 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000270276043 455918800 /nfs/dbraw/zinc/91/88/00/455918800.db2.gz SPWFTKAAJRENIE-UHFFFAOYSA-N 0 3 342.399 3.021 20 5 EGBDHN C[C@H]1C[C@H](c2ccccc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000285805720 455919551 /nfs/dbraw/zinc/91/95/51/455919551.db2.gz USWLVHRBUOZZET-SUMWQHHRSA-N 0 3 339.395 3.277 20 5 EGBDHN COC(=O)c1csc([C@H](C)NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000286227917 456004105 /nfs/dbraw/zinc/00/41/05/456004105.db2.gz SRJSZSYKLAQFMF-NSHDSACASA-N 0 3 334.397 3.336 20 5 EGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000286241556 456007261 /nfs/dbraw/zinc/00/72/61/456007261.db2.gz FKSWLDUIVFMWLL-HIFRSBDPSA-N 0 3 326.400 3.206 20 5 EGBDHN CCS[C@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286308586 456020987 /nfs/dbraw/zinc/02/09/87/456020987.db2.gz VZYWCTJQKAQDDT-CABCVRRESA-N 0 3 337.445 3.106 20 5 EGBDHN COc1ccccc1[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000221949171 456045299 /nfs/dbraw/zinc/04/52/99/456045299.db2.gz RGARDTOEAQGRNH-MAUKXSAKSA-N 0 3 342.395 3.126 20 5 EGBDHN C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1=CCN(C)CC1 ZINC000272898991 456106482 /nfs/dbraw/zinc/10/64/82/456106482.db2.gz INZFOFDLPZPPSM-LLVKDONJSA-N 0 3 345.424 3.190 20 5 EGBDHN Cc1ccnc(N(C)[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301437988 456115163 /nfs/dbraw/zinc/11/51/63/456115163.db2.gz NIZQWLOHZJDOGD-KRWDZBQOSA-N 0 3 340.427 3.399 20 5 EGBDHN COCCO[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000188823601 456144867 /nfs/dbraw/zinc/14/48/67/456144867.db2.gz ICPLJODDMFGUMI-MRXNPFEDSA-N 0 3 346.383 3.092 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(F)(F)[C@H](C)C1 ZINC000289872904 456164086 /nfs/dbraw/zinc/16/40/86/456164086.db2.gz QWYXESBWIISKFU-GFCCVEGCSA-N 0 3 341.358 3.209 20 5 EGBDHN CCN1CCCC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301670378 456180843 /nfs/dbraw/zinc/18/08/43/456180843.db2.gz FCGUJBXRIWMIAH-NSHDSACASA-N 0 3 343.225 3.039 20 5 EGBDHN Cc1cccc(C[C@H](CO)NC/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000189005104 456197161 /nfs/dbraw/zinc/19/71/61/456197161.db2.gz SRXLCANGVVZNQP-QKYXPGDISA-N 0 3 326.396 3.110 20 5 EGBDHN CCC(=O)c1ccc(N2CCC[C@@H]2CN2CCCC2)c([N+](=O)[O-])c1 ZINC000281426621 456231206 /nfs/dbraw/zinc/23/12/06/456231206.db2.gz JCDDNPNXURYENH-OAHLLOKOSA-N 0 3 331.416 3.252 20 5 EGBDHN COc1cc(NC[C@H](C)N2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301955603 456258448 /nfs/dbraw/zinc/25/84/48/456258448.db2.gz KSBICYCUHCIJJS-RYUDHWBXSA-N 0 3 325.384 3.275 20 5 EGBDHN C[C@@H](CCN(C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275568231 456276988 /nfs/dbraw/zinc/27/69/88/456276988.db2.gz PBKLUXBLBSIDJZ-ZDUSSCGKSA-N 0 3 337.423 3.164 20 5 EGBDHN CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1O ZINC000275697881 456289736 /nfs/dbraw/zinc/28/97/36/456289736.db2.gz BIFALQIEDAYCMZ-QGZVFWFLSA-N 0 3 330.384 3.448 20 5 EGBDHN Cc1ccnc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000302186699 456311764 /nfs/dbraw/zinc/31/17/64/456311764.db2.gz VQGAHBHYHZDZIQ-ZBFHGGJFSA-N 0 3 326.400 3.231 20 5 EGBDHN COc1cc(CNC[C@H]2CCC(F)(F)C2)c([N+](=O)[O-])cc1OC ZINC000281769519 456315968 /nfs/dbraw/zinc/31/59/68/456315968.db2.gz SYTTYIKGSGNAFW-JTQLQIEISA-N 0 3 330.331 3.137 20 5 EGBDHN CCC[C@@H](CCO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000601140026 460727920 /nfs/dbraw/zinc/72/79/20/460727920.db2.gz PLZMSWBFJGMUMA-ZDUSSCGKSA-N 0 3 335.429 3.359 20 5 EGBDHN CN1CCCC(C)(C)[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000343055246 456375555 /nfs/dbraw/zinc/37/55/55/456375555.db2.gz SJJQCTBAHSNTJI-LLVKDONJSA-N 0 3 335.433 3.132 20 5 EGBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C)C1 ZINC000298518439 456479134 /nfs/dbraw/zinc/47/91/34/456479134.db2.gz PHHLRLLIGIPHHZ-NWDGAFQWSA-N 0 3 339.823 3.098 20 5 EGBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C)C1 ZINC000298518442 456479232 /nfs/dbraw/zinc/47/92/32/456479232.db2.gz PHHLRLLIGIPHHZ-VXGBXAGGSA-N 0 3 339.823 3.098 20 5 EGBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(F)cc1F ZINC000282442031 456516534 /nfs/dbraw/zinc/51/65/34/456516534.db2.gz LBGWKUBMBFHHAS-KRWDZBQOSA-N 0 3 336.338 3.081 20 5 EGBDHN CC(C)N1CCC(N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000298816135 456546770 /nfs/dbraw/zinc/54/67/70/456546770.db2.gz QOESEIDZGRGELC-UHFFFAOYSA-N 0 3 345.399 3.286 20 5 EGBDHN COc1cc(N[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000310217550 456581409 /nfs/dbraw/zinc/58/14/09/456581409.db2.gz WDTBJCRUWJSQNN-MRXNPFEDSA-N 0 3 327.384 3.290 20 5 EGBDHN COc1cc(N[C@@H]2CCN(Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000310752617 456584174 /nfs/dbraw/zinc/58/41/74/456584174.db2.gz ISKCFZGNXVVGCG-CQSZACIVSA-N 0 3 345.374 3.429 20 5 EGBDHN CO[C@]1(C)C[C@@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000340855434 456721811 /nfs/dbraw/zinc/72/18/11/456721811.db2.gz XOWPAPBBZQRSEM-CDHAZOANSA-N 0 3 349.431 3.023 20 5 EGBDHN COc1ccc(CN[C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000291761218 456747891 /nfs/dbraw/zinc/74/78/91/456747891.db2.gz RLPRDWLDAHWYDH-AWEZNQCLSA-N 0 3 345.374 3.111 20 5 EGBDHN CCc1nn(C)c(NC[C@@H](N[C@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000340972258 456792000 /nfs/dbraw/zinc/79/20/00/456792000.db2.gz PVPYRKMCFHJQFZ-DGCLKSJQSA-N 0 3 335.408 3.025 20 5 EGBDHN CO[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1(C)C ZINC000344700524 456848908 /nfs/dbraw/zinc/84/89/08/456848908.db2.gz QKEJVPFDQXIDSX-CHWSQXEVSA-N 0 3 330.331 3.099 20 5 EGBDHN C[C@@H](NCc1ccc(C[S@@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000353809727 456916778 /nfs/dbraw/zinc/91/67/78/456916778.db2.gz BUCVFTFXAFGTMO-JCQPUDPBSA-N 0 3 332.425 3.324 20 5 EGBDHN CN(C)CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000353841817 456931559 /nfs/dbraw/zinc/93/15/59/456931559.db2.gz DMZZNUZRMSRGNE-UHFFFAOYSA-N 0 3 339.823 3.195 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CN(CCN(C)C)Cc1ccco1 ZINC000349314727 456938801 /nfs/dbraw/zinc/93/88/01/456938801.db2.gz JDUHFISIELGTAR-UHFFFAOYSA-N 0 3 347.415 3.150 20 5 EGBDHN CCN1C[C@H](C)N(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1C ZINC000345188911 456960239 /nfs/dbraw/zinc/96/02/39/456960239.db2.gz ITWVOCDUYXYUCG-MNOVXSKESA-N 0 3 329.347 3.115 20 5 EGBDHN CN(C(=O)CN[C@H](c1cccs1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000341844184 456968061 /nfs/dbraw/zinc/96/80/61/456968061.db2.gz UHZVBFXGBCVARS-KRWDZBQOSA-N 0 3 345.424 3.360 20 5 EGBDHN CC[C@H](C)C[C@H](CC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349685655 457016182 /nfs/dbraw/zinc/01/61/82/457016182.db2.gz OSPKEUQEWBMOOT-KBPBESRZSA-N 0 3 342.461 3.173 20 5 EGBDHN Cc1cnc(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000342197301 457163113 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EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]2c2ccc(O)cc2)c1 ZINC000750096920 1299337068 /nfs/dbraw/zinc/33/70/68/1299337068.db2.gz SLNUQXZBTGISEW-QZTJIDSGSA-N 0 3 328.368 3.171 20 5 EGBDHN CC[C@@H](C)CN(CC)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752792246 1299795804 /nfs/dbraw/zinc/79/58/04/1299795804.db2.gz LMETXPZHGKYMGH-CQSZACIVSA-N 0 3 334.420 3.162 20 5 EGBDHN Cc1ccc(CN2C[C@H](c3cnn(C)c3)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000878658264 1300130723 /nfs/dbraw/zinc/13/07/23/1300130723.db2.gz XAIPHNPSBKBJSQ-MRXNPFEDSA-N 0 3 328.416 3.262 20 5 EGBDHN C[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)N1[C@H](C)CC[C@H]1C ZINC000757423419 1300670575 /nfs/dbraw/zinc/67/05/75/1300670575.db2.gz DJHCNPLUCLFVCI-IJLUTSLNSA-N 0 3 339.823 3.126 20 5 EGBDHN CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1N1CCCC1 ZINC000772581625 1303550529 /nfs/dbraw/zinc/55/05/29/1303550529.db2.gz VYOIZMBBMSNFJW-LSDHHAIUSA-N 0 3 341.864 3.264 20 5 EGBDHN Cc1nc(C)c([C@@H](C)N(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000776583195 1304174658 /nfs/dbraw/zinc/17/46/58/1304174658.db2.gz ZBHZPLLHBOIUMW-ABAIWWIYSA-N 0 3 335.429 3.395 20 5 EGBDHN Cc1cccc([C@@H]2CCCN2C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776586885 1304176703 /nfs/dbraw/zinc/17/67/03/1304176703.db2.gz RJXPBXFCEYRRAJ-ZWKOTPCHSA-N 0 3 327.384 3.169 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000780370644 1304682785 /nfs/dbraw/zinc/68/27/85/1304682785.db2.gz NUXNBTWKSBFTJR-DNVCBOLYSA-N 0 3 342.395 3.029 20 5 EGBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000781893987 1304887674 /nfs/dbraw/zinc/88/76/74/1304887674.db2.gz BAZHCEBKKYJOSW-SJORKVTESA-N 0 3 346.358 3.271 20 5 EGBDHN CC(C)(C)[C@H]1CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000784030768 1305179482 /nfs/dbraw/zinc/17/94/82/1305179482.db2.gz ICPWUIWIFVKLEV-AWEZNQCLSA-N 0 3 329.404 3.179 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-] ZINC000893309951 1305821026 /nfs/dbraw/zinc/82/10/26/1305821026.db2.gz JBJAYKBEMVUALV-UHFFFAOYSA-N 0 3 332.400 3.367 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC2(CC1)C[C@H](O)CCO2 ZINC000897260085 1310251322 /nfs/dbraw/zinc/25/13/22/1310251322.db2.gz XVXMHUUTVGBHSA-HAZIXKIPSA-N 0 3 346.427 3.004 20 5 EGBDHN CNC(C)(C)c1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901397701 1317417773 /nfs/dbraw/zinc/41/77/73/1317417773.db2.gz DFGKTVOMODGACU-UHFFFAOYSA-N 0 3 330.388 3.305 20 5 EGBDHN CCCNC(=O)OC[C@@H]1CCCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000805772803 1317423568 /nfs/dbraw/zinc/42/35/68/1317423568.db2.gz KVEJSPVCLJVCEB-KRWDZBQOSA-N 0 3 349.431 3.128 20 5 EGBDHN O=C(C=C1CCCCC1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020015002 1317501472 /nfs/dbraw/zinc/50/14/72/1317501472.db2.gz KQIDPTCWANIJGF-QAQDUYKDSA-N 0 3 343.427 3.222 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@](C)(O)c1cccc(F)c1 ZINC000903307492 1317684920 /nfs/dbraw/zinc/68/49/20/1317684920.db2.gz IQPYEVUSWJETKY-SGTLLEGYSA-N 0 3 348.374 3.301 20 5 EGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@H]1CCN(C2CC2)C1 ZINC000811478318 1318182008 /nfs/dbraw/zinc/18/20/08/1318182008.db2.gz GLQKXANFZIWHRQ-NSHDSACASA-N 0 3 330.215 3.228 20 5 EGBDHN CC(COC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1)[N+](=O)[O-] ZINC000813107380 1318500503 /nfs/dbraw/zinc/50/05/03/1318500503.db2.gz MTJDJHLBQJGFMV-LLVKDONJSA-N 0 3 347.371 3.147 20 5 EGBDHN Cc1ccc(-n2ncc(C(=O)OCC(C)[N+](=O)[O-])c2C(C)C)cc1 ZINC000813113551 1318501894 /nfs/dbraw/zinc/50/18/94/1318501894.db2.gz RLQCSSHCSDBDNE-CYBMUJFWSA-N 0 3 331.372 3.126 20 5 EGBDHN CN(C)Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930125611 1328791175 /nfs/dbraw/zinc/79/11/75/1328791175.db2.gz IVNSGWOGEMSOEY-IAGOWNOFSA-N 0 3 339.395 3.399 20 5 EGBDHN COC(=O)C[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000815090337 1318887886 /nfs/dbraw/zinc/88/78/86/1318887886.db2.gz UUVCKNYBEMJDKN-ZDUSSCGKSA-N 0 3 346.305 3.045 20 5 EGBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cc(C3CC3)ccc2F)cc1 ZINC000819338596 1319702553 /nfs/dbraw/zinc/70/25/53/1319702553.db2.gz DIHHQKQDYXOZCS-SFHVURJKSA-N 0 3 330.359 3.435 20 5 EGBDHN C[C@@H](CN1CCCC1)OC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000845663225 1321730147 /nfs/dbraw/zinc/73/01/47/1321730147.db2.gz OKWLDKVNRIIMGL-JTQLQIEISA-N 0 3 346.305 3.255 20 5 EGBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1C ZINC000845872374 1321746999 /nfs/dbraw/zinc/74/69/99/1321746999.db2.gz HRKQAZIMNHOGKS-LRDDRELGSA-N 0 3 334.347 3.344 20 5 EGBDHN CCOC1CC(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845876352 1321748444 /nfs/dbraw/zinc/74/84/44/1321748444.db2.gz CPMDOTOWPVSDEY-BNTHPBMZSA-N 0 3 339.363 3.280 20 5 EGBDHN CC(=O)CC(C)(C)CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879346 1321749245 /nfs/dbraw/zinc/74/92/45/1321749245.db2.gz IYKCMRNUGNRQQW-MLGOLLRUSA-N 0 3 339.363 3.471 20 5 EGBDHN Cc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nc1C ZINC000845882518 1321750075 /nfs/dbraw/zinc/75/00/75/1321750075.db2.gz ULXJOUJNFIZUFU-WBMJQRKESA-N 0 3 332.331 3.401 20 5 EGBDHN Cc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nc1C ZINC000845882517 1321750633 /nfs/dbraw/zinc/75/06/33/1321750633.db2.gz ULXJOUJNFIZUFU-MLGOLLRUSA-N 0 3 332.331 3.401 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CSCCS1 ZINC000850439254 1322249479 /nfs/dbraw/zinc/24/94/79/1322249479.db2.gz GSZFCFZTAQNFDG-CMPLNLGQSA-N 0 3 328.459 3.103 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@](C)(O)c1ccccc1 ZINC000850436167 1322249955 /nfs/dbraw/zinc/24/99/55/1322249955.db2.gz SSBOISINMDMLHH-SCLBCKFNSA-N 0 3 330.384 3.162 20 5 EGBDHN CCc1c[nH]c(=O)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000851109114 1322336273 /nfs/dbraw/zinc/33/62/73/1322336273.db2.gz VQEQUTJVRLDABQ-BONVTDFDSA-N 0 3 348.330 3.052 20 5 EGBDHN CC(C)c1ccc(C(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cc1[N+](=O)[O-] ZINC000923271736 1322723361 /nfs/dbraw/zinc/72/33/61/1322723361.db2.gz ONJNNCHTIGDRRR-CABCVRRESA-N 0 3 331.416 3.027 20 5 EGBDHN CC1C[C@H]2CC[C@@H](C1)N2Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000853606249 1325132891 /nfs/dbraw/zinc/13/28/91/1325132891.db2.gz QFNWOUOHHNZLCF-LQDVMPOASA-N 0 3 327.388 3.074 20 5 EGBDHN CC[C@@H](C(=O)OCC(C)[N+](=O)[O-])c1ccc(Br)cc1 ZINC000860776672 1329354063 /nfs/dbraw/zinc/35/40/63/1329354063.db2.gz GQICAYURQZJLCU-BXKDBHETSA-N 0 3 330.178 3.151 20 5 EGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000934319596 1329966015 /nfs/dbraw/zinc/96/60/15/1329966015.db2.gz MZUGIVJBTGNYBH-OCCSQVGLSA-N 0 3 349.456 3.016 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC(=O)N1CCC[C@H](C)C1 ZINC001323490688 1387376941 /nfs/dbraw/zinc/37/69/41/1387376941.db2.gz CNAGYBYVLQTPSX-DZGCQCFKSA-N 0 3 333.432 3.202 20 5 EGBDHN CC[NH+]1CCN(c2ccc(Nc3cc([O-])cc([N+](=O)[O-])c3)cc2)CC1 ZINC001201222803 1369498618 /nfs/dbraw/zinc/49/86/18/1369498618.db2.gz RZAJOQHEUGYIIL-UHFFFAOYSA-N 0 3 342.399 3.186 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3CN4CCC3CC4)no2)c1C ZINC001119519641 1371361123 /nfs/dbraw/zinc/36/11/23/1371361123.db2.gz RGORGUQRBRDYES-CYBMUJFWSA-N 0 3 328.372 3.071 20 5 EGBDHN Cn1ncc([N+](=O)[O-])c1S[C@H]1CCCN(Cc2ccccc2)C1 ZINC001119966809 1371435076 /nfs/dbraw/zinc/43/50/76/1371435076.db2.gz DUVJWJFGESMCLS-AWEZNQCLSA-N 0 3 332.429 3.085 20 5 EGBDHN COc1c(O)ccc(CN(C)[C@@H]2CC[C@H](SC)C2)c1[N+](=O)[O-] ZINC001120017904 1371457977 /nfs/dbraw/zinc/45/79/77/1371457977.db2.gz JDQQKZXUBDVQQO-NEPJUHHUSA-N 0 3 326.418 3.025 20 5 EGBDHN CCCc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001128327086 1373252222 /nfs/dbraw/zinc/25/22/22/1373252222.db2.gz BGXKLIZORPUHAU-UHFFFAOYSA-N 0 3 347.440 3.128 20 5 EGBDHN Cc1cc(O[C@H]2CCCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001225657817 1375139962 /nfs/dbraw/zinc/13/99/62/1375139962.db2.gz QIEPOUQZKGYINY-INIZCTEOSA-N 0 3 327.384 3.342 20 5 EGBDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1cncc([N+](=O)[O-])c1 ZINC001227985682 1375498585 /nfs/dbraw/zinc/49/85/85/1375498585.db2.gz XWDQVJIQLRATRR-KSSFIOAISA-N 0 3 327.384 3.279 20 5 EGBDHN C[C@H](c1ccccn1)N1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395781 1375826416 /nfs/dbraw/zinc/82/64/16/1375826416.db2.gz LVUUBBBVFNYPGF-UKRRQHHQSA-N 0 3 343.383 3.300 20 5 EGBDHN C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395781 1375826420 /nfs/dbraw/zinc/82/64/20/1375826420.db2.gz LVUUBBBVFNYPGF-UKRRQHHQSA-N 0 3 343.383 3.300 20 5 EGBDHN C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395781 1375826424 /nfs/dbraw/zinc/82/64/24/1375826424.db2.gz LVUUBBBVFNYPGF-UKRRQHHQSA-N 0 3 343.383 3.300 20 5 EGBDHN CC(C)CCCCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001134786080 1376720117 /nfs/dbraw/zinc/72/01/17/1376720117.db2.gz QCAXIPJJAICWGH-UHFFFAOYSA-N 0 3 335.448 3.407 20 5 EGBDHN CC(C)Oc1nc(N[C@@H]2CNCc3ccsc32)ccc1[N+](=O)[O-] ZINC001155563943 1380469275 /nfs/dbraw/zinc/46/92/75/1380469275.db2.gz FQEJXXQCSCSNGE-LLVKDONJSA-N 0 3 334.401 3.095 20 5 EGBDHN O=[N+]([O-])c1cnc(Cl)nc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC001156523167 1380588115 /nfs/dbraw/zinc/58/81/15/1380588115.db2.gz MBMBPWVUJGDVDM-ZDUSSCGKSA-N 0 3 347.806 3.287 20 5 EGBDHN CN1CCC(N(Cc2ccc(F)cc2)c2cccc([N+](=O)[O-])n2)CC1 ZINC001158445859 1381248123 /nfs/dbraw/zinc/24/81/23/1381248123.db2.gz LHPLXUJRXTXZDK-UHFFFAOYSA-N 0 3 344.390 3.230 20 5 EGBDHN O=[N+]([O-])c1c(N[C@H]2CNCc3ccsc32)ccc2cnccc21 ZINC001163229990 1382999956 /nfs/dbraw/zinc/99/99/56/1382999956.db2.gz SPVCJXDNVUFREH-AWEZNQCLSA-N 0 3 326.381 3.461 20 5 EGBDHN CC(C)(C)N1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC001165087393 1383225468 /nfs/dbraw/zinc/22/54/68/1383225468.db2.gz BPXQASDTIIIEOV-UHFFFAOYSA-N 0 3 349.822 3.112 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCc2cc3c(cc2C1)OCO3 ZINC001173221078 1384938544 /nfs/dbraw/zinc/93/85/44/1384938544.db2.gz GAVBWWCJGCJXST-CYBMUJFWSA-N 0 3 340.379 3.313 20 5 EGBDHN CCc1nc(C2CCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001173231269 1384940743 /nfs/dbraw/zinc/94/07/43/1384940743.db2.gz AIRXXOCTKSJTLJ-ZDUSSCGKSA-N 0 3 344.415 3.351 20 5 EGBDHN COC(=O)[C@H]1CCC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001321077473 1386802485 /nfs/dbraw/zinc/80/24/85/1386802485.db2.gz XMPYDJFAQGANGR-ZFWWWQNUSA-N 0 3 344.367 3.286 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1-c1nc([C@H]2CN3CCC2CC3)no1 ZINC001337824425 1389453971 /nfs/dbraw/zinc/45/39/71/1389453971.db2.gz NNCRCFUQBWKEBN-ZDUSSCGKSA-N 0 3 346.412 3.176 20 5 EGBDHN CCCN1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001340092915 1390224666 /nfs/dbraw/zinc/22/46/66/1390224666.db2.gz LKPSCDPPCJUXLN-HOCLYGCPSA-N 0 3 333.432 3.345 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN2CCC(Nc3ccccc3Cl)CC2)n1 ZINC001340924949 1390405781 /nfs/dbraw/zinc/40/57/81/1390405781.db2.gz JPQAWILECVVFKB-UHFFFAOYSA-N 0 3 349.822 3.021 20 5 EGBDHN CC([C@@H](OC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccccc1F)[N+](=O)[O-] ZINC001348940466 1391286353 /nfs/dbraw/zinc/28/63/53/1391286353.db2.gz SADIRKHUMJZRCP-HVDRQEDPSA-N 0 3 344.342 3.274 20 5 EGBDHN CC(C)CN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC001164657446 719339893 /nfs/dbraw/zinc/33/98/93/719339893.db2.gz MKTDTBKLKNDUBO-UHFFFAOYSA-N 0 3 340.427 3.435 20 5 EGBDHN NC(=O)c1ccc(CN2CCC[C@@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000053211796 214170432 /nfs/dbraw/zinc/17/04/32/214170432.db2.gz WAJGYQMHMIYJKL-MRXNPFEDSA-N 0 3 331.416 3.238 20 5 EGBDHN CN(C)C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000338355803 282132093 /nfs/dbraw/zinc/13/20/93/282132093.db2.gz KMRVGFBZWXEZRF-INIZCTEOSA-N 0 3 346.362 3.158 20 5 EGBDHN C[C@H](c1ccco1)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181663440 234275339 /nfs/dbraw/zinc/27/53/39/234275339.db2.gz COMMNAPGFBSMOE-LLVKDONJSA-N 0 3 335.335 3.349 20 5 EGBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000187168247 236136060 /nfs/dbraw/zinc/13/60/60/236136060.db2.gz DTJOLRVGDKVWFG-SUMWQHHRSA-N 0 3 327.384 3.016 20 5 EGBDHN Cc1nn(C)c(N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000267524492 201223838 /nfs/dbraw/zinc/22/38/38/201223838.db2.gz RIDKKVARTNRCKS-CZUORRHYSA-N 0 3 343.431 3.102 20 5 EGBDHN COC(=O)[C@H]1CC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000193497814 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COc1ccc(-c2ccc(CNC[C@@]3(C)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000344387659 164168076 /nfs/dbraw/zinc/16/80/76/164168076.db2.gz SKLPBQGDZKRBCL-GOSISDBHSA-N 0 3 346.383 3.380 20 5 EGBDHN COc1ccc(-c2ccc(CNCC[C@H](O)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000344451010 164181489 /nfs/dbraw/zinc/18/14/89/164181489.db2.gz BOGLXRPJZKZNSV-KRWDZBQOSA-N 0 3 348.399 3.360 20 5 EGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)C ZINC000346135941 164346518 /nfs/dbraw/zinc/34/65/18/164346518.db2.gz LEAHFDGXOHZYHY-LBPRGKRZSA-N 0 3 339.461 3.023 20 5 EGBDHN C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000346226509 164359893 /nfs/dbraw/zinc/35/98/93/164359893.db2.gz XAJZBPJOBBJGHT-VXGBXAGGSA-N 0 3 339.823 3.098 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H](CO)CC3CCC3)o2)c1 ZINC000355561107 166245007 /nfs/dbraw/zinc/24/50/07/166245007.db2.gz HSWXVZBHKQDBPH-OAHLLOKOSA-N 0 3 330.384 3.496 20 5 EGBDHN CCC1(CC)[C@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000359429676 167153922 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EGBDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000272450068 266846252 /nfs/dbraw/zinc/84/62/52/266846252.db2.gz JKNMKBBWQCXNGZ-KBPBESRZSA-N 0 3 349.431 3.330 20 5 EGBDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000274245812 267205529 /nfs/dbraw/zinc/20/55/29/267205529.db2.gz RMLPXHMUMHKNRG-RNJTYBCJSA-N 0 3 334.416 3.280 20 5 EGBDHN Cc1ccc(CN[C@H](C)c2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000125162862 274743346 /nfs/dbraw/zinc/74/33/46/274743346.db2.gz FXAJBDLPKDELEA-GFCCVEGCSA-N 0 3 328.372 3.245 20 5 EGBDHN CC(C)(C)[S@](=O)CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278965996 275291879 /nfs/dbraw/zinc/29/18/79/275291879.db2.gz BPYWHFGXJVPRAU-NPMXOYFQSA-N 0 3 338.473 3.454 20 5 EGBDHN C[C@H](NC[C@@H](c1ccccc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283690496 275744911 /nfs/dbraw/zinc/74/49/11/275744911.db2.gz AEWAHQZWPBJEEY-UGSOOPFHSA-N 0 3 328.416 3.131 20 5 EGBDHN COc1ccc(COCCN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000285000893 275841111 /nfs/dbraw/zinc/84/11/11/275841111.db2.gz GUKZHWYRBQFDSP-CYBMUJFWSA-N 0 3 345.399 3.053 20 5 EGBDHN CC(C)c1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000188956620 276050485 /nfs/dbraw/zinc/05/04/85/276050485.db2.gz ZAGZYENLXSWFFE-UHFFFAOYSA-N 0 3 331.416 3.075 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1COc3ccccc3[C@H]1O)CCC2 ZINC000290341521 276482535 /nfs/dbraw/zinc/48/25/35/276482535.db2.gz PMQOAFJEYUSXJT-ZIFCJYIRSA-N 0 3 340.379 3.056 20 5 EGBDHN CN1CCC(N(Cc2ccco2)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000290609631 276519109 /nfs/dbraw/zinc/51/91/09/276519109.db2.gz WKRJHDINFGQBDY-UHFFFAOYSA-N 0 3 329.400 3.284 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000352546419 278866909 /nfs/dbraw/zinc/86/69/09/278866909.db2.gz UYKVVSLQCKCBKW-WMLDXEAASA-N 0 3 334.416 3.234 20 5 EGBDHN Cc1cc(NC2CCN(CCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074740361 307395518 /nfs/dbraw/zinc/39/55/18/307395518.db2.gz BINOXGCWWCBYHM-UHFFFAOYSA-N 0 3 340.427 3.417 20 5 EGBDHN C[C@@H](NCCCCc1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCC2 ZINC000414104607 309061123 /nfs/dbraw/zinc/06/11/23/309061123.db2.gz ZGZAXEPZMLZXSH-CQSZACIVSA-N 0 3 328.416 3.411 20 5 EGBDHN C[C@H](NC[C@@H](Cc1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000132967140 307665405 /nfs/dbraw/zinc/66/54/05/307665405.db2.gz DTTHRPZFFBVBFP-HNAYVOBHSA-N 0 3 327.428 3.418 20 5 EGBDHN COc1cc(OC)cc(OCCCNCc2ccccc2[N+](=O)[O-])c1 ZINC000151149016 307729061 /nfs/dbraw/zinc/72/90/61/307729061.db2.gz KXIFULMSAPERAV-UHFFFAOYSA-N 0 3 346.383 3.171 20 5 EGBDHN COc1ccc([C@H](CO)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000414189005 309065684 /nfs/dbraw/zinc/06/56/84/309065684.db2.gz QUOXKYFLHTYIAV-BBRMVZONSA-N 0 3 330.384 3.030 20 5 EGBDHN CC(C)(C)CNC(=O)C(C)(C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000255836727 308060456 /nfs/dbraw/zinc/06/04/56/308060456.db2.gz MFTASPFBQGUQEZ-NTMALXAHSA-N 0 3 333.432 3.139 20 5 EGBDHN CC(C)NC(=O)[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414542866 309087716 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EGBDHN O=[N+]([O-])c1ccsc1NCC1(N2CCCCC2)CCOCC1 ZINC000302005162 308724906 /nfs/dbraw/zinc/72/49/06/308724906.db2.gz KPXXNTZHXXUBBY-UHFFFAOYSA-N 0 3 325.434 3.103 20 5 EGBDHN CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000411146251 308928509 /nfs/dbraw/zinc/92/85/09/308928509.db2.gz NEQGTPAZXWYFFP-DLBZAZTESA-N 0 3 345.443 3.079 20 5 EGBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCCCN2C2CC2)c(C(F)(F)F)c1 ZINC000413267013 309024284 /nfs/dbraw/zinc/02/42/84/309024284.db2.gz PGDZXJJTQBFGTK-NSHDSACASA-N 0 3 344.337 3.437 20 5 EGBDHN Cc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)c2ccccc2n1 ZINC000413336097 309027388 /nfs/dbraw/zinc/02/73/88/309027388.db2.gz QDBUKBNIROKNDE-UHFFFAOYSA-N 0 3 349.394 3.173 20 5 EGBDHN CNCc1ccccc1NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000415913534 309148059 /nfs/dbraw/zinc/14/80/59/309148059.db2.gz PTBDVVHRRRVURH-UHFFFAOYSA-N 0 3 342.399 3.371 20 5 EGBDHN C[C@@H](NC(=O)C(C)(C)[C@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000422989496 309379620 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C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc(N2CCC2=O)c1 ZINC000449305785 310052050 /nfs/dbraw/zinc/05/20/50/310052050.db2.gz UBPDJZGPACONAC-AWEZNQCLSA-N 0 3 339.395 3.052 20 5 EGBDHN COc1ccc(-c2ccc(CNCCC(C)(C)CO)o2)c([N+](=O)[O-])c1 ZINC000449406786 310059413 /nfs/dbraw/zinc/05/94/13/310059413.db2.gz CLBZRWPJYXLMKR-UHFFFAOYSA-N 0 3 348.399 3.362 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCOC2(CCC2)C1 ZINC000449475925 310065161 /nfs/dbraw/zinc/06/51/61/310065161.db2.gz LYWFJBGZUJXWQN-AWEZNQCLSA-N 0 3 334.416 3.432 20 5 EGBDHN COC(=O)C(C)(C)CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449494666 310066704 /nfs/dbraw/zinc/06/67/04/310066704.db2.gz BBNWNGYFJZEQCD-OAHLLOKOSA-N 0 3 334.416 3.364 20 5 EGBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)CNC2 ZINC000449668033 310079340 /nfs/dbraw/zinc/07/93/40/310079340.db2.gz SDQHGAGCVNDNBC-UHFFFAOYSA-N 0 3 340.383 3.029 20 5 EGBDHN COc1cc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])cc1F ZINC000451474831 310180236 /nfs/dbraw/zinc/18/02/36/310180236.db2.gz BMGBXGLVTRGKRT-HFBAOOFYSA-N 0 3 338.379 3.036 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1C[C@H](OC(C)C)C1(C)C ZINC000451508479 310181856 /nfs/dbraw/zinc/18/18/56/310181856.db2.gz XHSJWYODXDNAHB-HOTGVXAUSA-N 0 3 349.431 3.023 20 5 EGBDHN CCO[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000452039107 310208924 /nfs/dbraw/zinc/20/89/24/310208924.db2.gz ZOMASLATEQCTIL-FRFSOERESA-N 0 3 349.431 3.168 20 5 EGBDHN Cc1c(C(=O)N[C@@H](CC(C)C)CN2CCCC2)cccc1[N+](=O)[O-] ZINC000452342685 310224371 /nfs/dbraw/zinc/22/43/71/310224371.db2.gz RBFZYVKSGMZBNI-HNNXBMFYSA-N 0 3 333.432 3.144 20 5 EGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000453295245 310269606 /nfs/dbraw/zinc/26/96/06/310269606.db2.gz XUUJPLVKSZVAOW-HUUCEWRRSA-N 0 3 347.459 3.139 20 5 EGBDHN C[C@H](NC(=O)NCCN1[C@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454473404 310311603 /nfs/dbraw/zinc/31/16/03/310311603.db2.gz CHOGUEDWKSVKSI-ZNMIVQPWSA-N 0 3 348.447 3.218 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C(C)C)C1(CO)CCCC1 ZINC000459518700 310557946 /nfs/dbraw/zinc/55/79/46/310557946.db2.gz CRAZYHAXGLNBNJ-KRWDZBQOSA-N 0 3 336.432 3.270 20 5 EGBDHN C[C@@H]1C[C@@H]1N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488715991 311075943 /nfs/dbraw/zinc/07/59/43/311075943.db2.gz QEIXLDLMAJJCRZ-VBQJREDUSA-N 0 3 340.427 3.310 20 5 EGBDHN C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000511370655 312158908 /nfs/dbraw/zinc/15/89/08/312158908.db2.gz UVHQFZJYZIJNJA-SNVBAGLBSA-N 0 3 340.221 3.420 20 5 EGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2noc3ccccc32)n1 ZINC000515498096 312286140 /nfs/dbraw/zinc/28/61/40/312286140.db2.gz DSAYBKKOCRVQON-HIFRSBDPSA-N 0 3 341.371 3.206 20 5 EGBDHN CC[C@@H](NCCC(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000538615216 314258184 /nfs/dbraw/zinc/25/81/84/314258184.db2.gz PYIUHGLEQIHFHE-OAHLLOKOSA-N 0 3 328.372 3.059 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000538761284 314274311 /nfs/dbraw/zinc/27/43/11/314274311.db2.gz VGAZJNQWSURRIT-DOMZBBRYSA-N 0 3 347.459 3.370 20 5 EGBDHN COc1ccc(C2(NCCOc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000539261113 314304317 /nfs/dbraw/zinc/30/43/17/314304317.db2.gz ZNNYIGZOEWKWEP-UHFFFAOYSA-N 0 3 328.368 3.261 20 5 EGBDHN CCOC(=O)[C@@H](C)[C@H](C)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549934140 315111630 /nfs/dbraw/zinc/11/16/30/315111630.db2.gz XYOLQQFJRFGUDD-UWVGGRQHSA-N 0 3 348.321 3.291 20 5 EGBDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000551721006 315165461 /nfs/dbraw/zinc/16/54/61/315165461.db2.gz KRPXZZUGNQNUAX-RDTXWAMCSA-N 0 3 342.395 3.105 20 5 EGBDHN COc1ccc([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cc1O ZINC000554982775 315360658 /nfs/dbraw/zinc/36/06/58/315360658.db2.gz QUVPSIIVVPIMHC-GFCCVEGCSA-N 0 3 332.356 3.039 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCNC[C@@H]1c1cccc(F)c1 ZINC000565659254 316353291 /nfs/dbraw/zinc/35/32/91/316353291.db2.gz SNIAQIDWPXCBHD-BQHGXPCASA-N 0 3 341.386 3.394 20 5 EGBDHN CCOc1ccc(NC(=O)CN[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000194005440 323847642 /nfs/dbraw/zinc/84/76/42/323847642.db2.gz UMIXXSCWLAELLE-JSGCOSHPSA-N 0 3 335.404 3.100 20 5 EGBDHN COc1ccc(-c2ccc(CNC[C@@H](CO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000579458768 325112710 /nfs/dbraw/zinc/11/27/10/325112710.db2.gz PDBKAOPMUGJZEY-ZDUSSCGKSA-N 0 3 348.399 3.218 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCCCCC1 ZINC000581914093 325398223 /nfs/dbraw/zinc/39/82/23/325398223.db2.gz OKRZQZFUTHZVTM-UHFFFAOYSA-N 0 3 334.420 3.155 20 5 EGBDHN CCOc1ccc(NC(=O)CN([C@H](C)C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000029724961 453831103 /nfs/dbraw/zinc/83/11/03/453831103.db2.gz BGORQDBIBHSDRR-GFCCVEGCSA-N 0 3 347.415 3.195 20 5 EGBDHN CCc1ccc(C(=O)N2CCCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000174274332 455375750 /nfs/dbraw/zinc/37/57/50/455375750.db2.gz QHTOFOCSWLSYNX-UHFFFAOYSA-N 0 3 345.443 3.248 20 5 EGBDHN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1C ZINC000032731893 453886750 /nfs/dbraw/zinc/88/67/50/453886750.db2.gz ZCQVFNAHCCVXAG-RYUDHWBXSA-N 0 3 339.823 3.241 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cccs1 ZINC000041887694 453982761 /nfs/dbraw/zinc/98/27/61/453982761.db2.gz MCOOLGVSKUKMST-UHFFFAOYSA-N 0 3 349.412 3.126 20 5 EGBDHN C[C@H](CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000055902070 454023750 /nfs/dbraw/zinc/02/37/50/454023750.db2.gz BKSHWZGTQPSWOZ-MRXNPFEDSA-N 0 3 340.427 3.133 20 5 EGBDHN CCc1ccc([C@@H](NC[C@@H](C)N(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612409693 460622883 /nfs/dbraw/zinc/62/28/83/460622883.db2.gz OMTUNUSPJAWPLT-ACJLOTCBSA-N 0 3 331.416 3.379 20 5 EGBDHN CCc1ccc([C@H](NC[C@H](C)N(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612409695 460623262 /nfs/dbraw/zinc/62/32/62/460623262.db2.gz OMTUNUSPJAWPLT-SCLBCKFNSA-N 0 3 331.416 3.379 20 5 EGBDHN C[C@H](O)C[C@H](C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077428749 454105554 /nfs/dbraw/zinc/10/55/54/454105554.db2.gz WIWOHAHQUHFSEU-RYUDHWBXSA-N 0 3 335.429 3.215 20 5 EGBDHN Cc1c(NC(=O)[C@@H](C)N[C@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000119814555 454223348 /nfs/dbraw/zinc/22/33/48/454223348.db2.gz GDPHPQYNLWYCPH-DOMZBBRYSA-N 0 3 349.431 3.166 20 5 EGBDHN CN(CCCOc1ccccc1)CCOc1cccc([N+](=O)[O-])c1 ZINC000058933202 454245778 /nfs/dbraw/zinc/24/57/78/454245778.db2.gz HIQQFLAAVFACCW-UHFFFAOYSA-N 0 3 330.384 3.375 20 5 EGBDHN Cc1ccnc(N2CC[C@@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000078689443 454300224 /nfs/dbraw/zinc/30/02/24/454300224.db2.gz WNOSBEDYMSGASU-MRXNPFEDSA-N 0 3 340.427 3.399 20 5 EGBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1OC(F)F ZINC000090537819 454318714 /nfs/dbraw/zinc/31/87/14/454318714.db2.gz JRLZRRLFSXHRRX-CYBMUJFWSA-N 0 3 340.330 3.134 20 5 EGBDHN Cc1ccc(CNC[C@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000061013976 454323509 /nfs/dbraw/zinc/32/35/09/454323509.db2.gz HFWIZUUYSJYTAX-QGZVFWFLSA-N 0 3 329.400 3.423 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCC(C)(C)C[C@H]1C ZINC000120803086 454349466 /nfs/dbraw/zinc/34/94/66/454349466.db2.gz LDWKBQMWFAECSY-TZMCWYRMSA-N 0 3 349.431 3.346 20 5 EGBDHN Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000072840591 454350969 /nfs/dbraw/zinc/35/09/69/454350969.db2.gz QYFMFVLNYOJLEB-UHFFFAOYSA-N 0 3 327.384 3.146 20 5 EGBDHN COc1ccc2c(c1)OC[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000090964636 454355504 /nfs/dbraw/zinc/35/55/04/454355504.db2.gz MULAWTBXKMKADY-WFASDCNBSA-N 0 3 328.368 3.258 20 5 EGBDHN Cc1ccc([C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000062428231 454376976 /nfs/dbraw/zinc/37/69/76/454376976.db2.gz AZHZTJZHTLYVDQ-KRWDZBQOSA-N 0 3 342.399 3.328 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C1CC1)C1CCCCC1 ZINC000048008785 454431438 /nfs/dbraw/zinc/43/14/38/454431438.db2.gz DBSHJPOVLNVLAY-UHFFFAOYSA-N 0 3 347.415 3.339 20 5 EGBDHN C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000091959988 454495784 /nfs/dbraw/zinc/49/57/84/454495784.db2.gz QXCFVDDCZXEJEN-HBJANEJGSA-N 0 3 326.400 3.388 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000102845859 454523606 /nfs/dbraw/zinc/52/36/06/454523606.db2.gz SKFWVRNDMMNZFT-MRXNPFEDSA-N 0 3 327.384 3.160 20 5 EGBDHN CCCCNC(=O)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000051058444 454607222 /nfs/dbraw/zinc/60/72/22/454607222.db2.gz LUQKCRDLORPSEV-MRXNPFEDSA-N 0 3 333.432 3.032 20 5 EGBDHN CSC[C@@H]1CCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093760646 454733490 /nfs/dbraw/zinc/73/34/90/454733490.db2.gz UDZXXGMXWQBUJF-INIZCTEOSA-N 0 3 346.456 3.323 20 5 EGBDHN CC[C@H](NC[C@@H](O)COc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000152921791 454741616 /nfs/dbraw/zinc/74/16/16/454741616.db2.gz OEBGUSBLUJVGAL-MJGOQNOKSA-N 0 3 344.411 3.384 20 5 EGBDHN C[C@H](O)[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000136827965 454758001 /nfs/dbraw/zinc/75/80/01/454758001.db2.gz XIZVRPSGGZYCNS-KBPBESRZSA-N 0 3 330.384 3.448 20 5 EGBDHN COc1ccc(CCCN(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000136987523 454764264 /nfs/dbraw/zinc/76/42/64/454764264.db2.gz BSZFMBKXNQXPEX-LJQANCHMSA-N 0 3 344.411 3.201 20 5 EGBDHN C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000176886049 454794906 /nfs/dbraw/zinc/79/49/06/454794906.db2.gz PHCNCOIQXBWDCP-AWEZNQCLSA-N 0 3 333.432 3.211 20 5 EGBDHN O=C(NC1CCN(C2CC2)CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000139770917 454810552 /nfs/dbraw/zinc/81/05/52/454810552.db2.gz LTXNSZMBIMBQFW-UHFFFAOYSA-N 0 3 345.424 3.166 20 5 EGBDHN O=[N+]([O-])c1ccc2oc(CN3CCN(C4CCCCC4)CC3)nc2c1 ZINC000162999090 454816268 /nfs/dbraw/zinc/81/62/68/454816268.db2.gz DABIURQZXMKJPB-UHFFFAOYSA-N 0 3 344.415 3.186 20 5 EGBDHN Cc1c([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000125809002 454848858 /nfs/dbraw/zinc/84/88/58/454848858.db2.gz QFCRVSJMOQZVRD-VXGBXAGGSA-N 0 3 331.338 3.190 20 5 EGBDHN COc1cc(CNCC(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000113311472 454922075 /nfs/dbraw/zinc/92/20/75/454922075.db2.gz WKCOSENYHPUKRC-UHFFFAOYSA-N 0 3 336.310 3.290 20 5 EGBDHN Cc1c([C@H](C)N[C@@H]2CCN(c3ncccc3F)C2)cccc1[N+](=O)[O-] ZINC000168172783 454925937 /nfs/dbraw/zinc/92/59/37/454925937.db2.gz VBWVCHFAPZPDCA-UONOGXRCSA-N 0 3 344.390 3.367 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H]1CCN(c2ncccc2F)C1 ZINC000168171996 454926173 /nfs/dbraw/zinc/92/61/73/454926173.db2.gz BXWASHHXQGNYAY-KGLIPLIRSA-N 0 3 344.390 3.367 20 5 EGBDHN O=C(CN[C@H](Cc1ccccc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000178205718 454942431 /nfs/dbraw/zinc/94/24/31/454942431.db2.gz AUGXHKZKLLMWLK-QGZVFWFLSA-N 0 3 339.395 3.144 20 5 EGBDHN Cc1c(CN2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000170647417 454948874 /nfs/dbraw/zinc/94/88/74/454948874.db2.gz SAUFASGOPPRQAK-AWEZNQCLSA-N 0 3 349.431 3.250 20 5 EGBDHN C[C@@H](NC[C@H](Cc1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154970762 454949763 /nfs/dbraw/zinc/94/97/63/454949763.db2.gz IYUZAGCLWXHIJI-BEFAXECRSA-N 0 3 327.428 3.418 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000127906716 455008776 /nfs/dbraw/zinc/00/87/76/455008776.db2.gz ZHEQIBTYSOHYJI-JSGCOSHPSA-N 0 3 348.447 3.454 20 5 EGBDHN CN1CCC[C@H](CNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000170979942 455009603 /nfs/dbraw/zinc/00/96/03/455009603.db2.gz JUARVSXKFHJRNB-OAHLLOKOSA-N 0 3 333.435 3.460 20 5 EGBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000115636351 455023842 /nfs/dbraw/zinc/02/38/42/455023842.db2.gz MBEAKRVFAWILLM-LLVKDONJSA-N 0 3 340.811 3.054 20 5 EGBDHN CC[C@@](C)(CO)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000152164295 455080665 /nfs/dbraw/zinc/08/06/65/455080665.db2.gz HZCNHMFGUCYXTJ-KRWDZBQOSA-N 0 3 334.372 3.114 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)[C@H](C)[C@@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000237495179 455189005 /nfs/dbraw/zinc/18/90/05/455189005.db2.gz SJYAATJAVTVHBG-QWQRMKEZSA-N 0 3 341.411 3.417 20 5 EGBDHN CCS[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189505023 455209580 /nfs/dbraw/zinc/20/95/80/455209580.db2.gz GCZULEUNMHHQCM-DZGCQCFKSA-N 0 3 337.445 3.187 20 5 EGBDHN Cc1ccnc(N2CCCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000265234047 455303260 /nfs/dbraw/zinc/30/32/60/455303260.db2.gz NMUVHHPNUJFAQK-UHFFFAOYSA-N 0 3 326.400 3.011 20 5 EGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CNC1(c2ccccc2)CCC1 ZINC000182046818 455423155 /nfs/dbraw/zinc/42/31/55/455423155.db2.gz QEWBTAJGQDGNPS-INIZCTEOSA-N 0 3 342.395 3.004 20 5 EGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CN1CCCCC1 ZINC000184685738 455427770 /nfs/dbraw/zinc/42/77/70/455427770.db2.gz PNTRRAUTJKTRFK-WBVHZDCISA-N 0 3 347.459 3.154 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000246166726 455439816 /nfs/dbraw/zinc/43/98/16/455439816.db2.gz FNSUUDFJHAMQKN-TZMCWYRMSA-N 0 3 348.447 3.454 20 5 EGBDHN O=[N+]([O-])c1ccn(CCNC2(c3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000267113631 455502567 /nfs/dbraw/zinc/50/25/67/455502567.db2.gz YDSXWSJCWMBOHF-UHFFFAOYSA-N 0 3 341.198 3.377 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)N2CCCC2)CC1 ZINC000182588562 455548357 /nfs/dbraw/zinc/54/83/57/455548357.db2.gz NMPPQTIWNOXRGF-HNNXBMFYSA-N 0 3 345.443 3.299 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)N2CCCC2)CC1 ZINC000182588547 455548494 /nfs/dbraw/zinc/54/84/94/455548494.db2.gz NMPPQTIWNOXRGF-OAHLLOKOSA-N 0 3 345.443 3.299 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCc2c(cccc2OC)C1 ZINC000192441847 455616709 /nfs/dbraw/zinc/61/67/09/455616709.db2.gz RFVVIBOIFRRWSK-HNNXBMFYSA-N 0 3 342.395 3.259 20 5 EGBDHN COc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1OC ZINC000284055453 455628870 /nfs/dbraw/zinc/62/88/70/455628870.db2.gz KMZSNAMAAZPAOH-NSHDSACASA-N 0 3 331.372 3.045 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CCCC[C@@H]1C ZINC000192623180 455655515 /nfs/dbraw/zinc/65/55/15/455655515.db2.gz XWQQPCAXSIMRSF-SWLSCSKDSA-N 0 3 335.404 3.052 20 5 EGBDHN CCOc1ccc([C@H](C)NCCOc2ncccc2F)cc1[N+](=O)[O-] ZINC000271546439 455679849 /nfs/dbraw/zinc/67/98/49/455679849.db2.gz UHHZLDOUZKOOCS-LBPRGKRZSA-N 0 3 349.362 3.257 20 5 EGBDHN Nc1ccc([N+](=O)[O-])c(NC2CCN(Cc3ccccc3)CC2)c1 ZINC000192761863 455687512 /nfs/dbraw/zinc/68/75/12/455687512.db2.gz FWNKHLGPSONKLI-UHFFFAOYSA-N 0 3 326.400 3.254 20 5 EGBDHN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000285264046 455815140 /nfs/dbraw/zinc/81/51/40/455815140.db2.gz QNINJKNTVDAPMJ-WVQJBOLRSA-N 0 3 333.363 3.089 20 5 EGBDHN Cc1cc2ncc([C@@H](C)NCCc3ccc([N+](=O)[O-])cc3)c(C)n2n1 ZINC000194415231 455839346 /nfs/dbraw/zinc/83/93/46/455839346.db2.gz UPIDJEDCRAOVBH-CYBMUJFWSA-N 0 3 339.399 3.148 20 5 EGBDHN C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000255288371 455863382 /nfs/dbraw/zinc/86/33/82/455863382.db2.gz QXCFVDDCZXEJEN-MTWCHYJXSA-N 0 3 326.400 3.388 20 5 EGBDHN COc1ccc(OC)c([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000195195529 455930809 /nfs/dbraw/zinc/93/08/09/455930809.db2.gz HNLQRIRDILLVGC-CYBMUJFWSA-N 0 3 346.383 3.342 20 5 EGBDHN COc1cc(CNC2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272437152 455950799 /nfs/dbraw/zinc/95/07/99/455950799.db2.gz OCFGLBAEMBJLBK-UHFFFAOYSA-N 0 3 330.331 3.280 20 5 EGBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000286043216 455966476 /nfs/dbraw/zinc/96/64/76/455966476.db2.gz AHCCCBBGOBSANQ-KBXCAEBGSA-N 0 3 343.427 3.251 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272608448 456012657 /nfs/dbraw/zinc/01/26/57/456012657.db2.gz RZCGITCEJUEEQP-DNVCBOLYSA-N 0 3 342.395 3.029 20 5 EGBDHN C[C@H](c1ccc(F)cc1)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000198864803 456013946 /nfs/dbraw/zinc/01/39/46/456013946.db2.gz SXUDHFAHHJYHFP-DYVFJYSZSA-N 0 3 348.374 3.167 20 5 EGBDHN Cc1cnc(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301455705 456120468 /nfs/dbraw/zinc/12/04/68/456120468.db2.gz WFTNKXXWZLDKPD-QGZVFWFLSA-N 0 3 340.427 3.399 20 5 EGBDHN Cc1cnc(N(C)[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000301455704 456120606 /nfs/dbraw/zinc/12/06/06/456120606.db2.gz WFTNKXXWZLDKPD-KRWDZBQOSA-N 0 3 340.427 3.399 20 5 EGBDHN C[C@H]1CN(CCCCNc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301543646 456141803 /nfs/dbraw/zinc/14/18/03/456141803.db2.gz DESXHXNAMREPKY-STQMWFEESA-N 0 3 325.384 3.035 20 5 EGBDHN CC(C)(NC(=O)C[C@H](N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000236663407 456166167 /nfs/dbraw/zinc/16/61/67/456166167.db2.gz CIXMFYNTPKYSGF-INIZCTEOSA-N 0 3 327.384 3.036 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000289898701 456173319 /nfs/dbraw/zinc/17/33/19/456173319.db2.gz QWTSBCPSQRNFSV-MQLVUKKUSA-N 0 3 338.407 3.364 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000236731196 456176627 /nfs/dbraw/zinc/17/66/27/456176627.db2.gz PQFITCMASQWHFZ-SFHVURJKSA-N 0 3 341.411 3.456 20 5 EGBDHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000281317956 456201354 /nfs/dbraw/zinc/20/13/54/456201354.db2.gz RATNBJKPZFJSRH-XGWTYTTDSA-N 0 3 336.407 3.495 20 5 EGBDHN Cc1ccc([C@H](C)N[C@H]2COc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000290211331 456267984 /nfs/dbraw/zinc/26/79/84/456267984.db2.gz HHEGBGGCVXQLEG-QITLCBANSA-N 0 3 328.368 3.048 20 5 EGBDHN CN(C)C[C@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275675146 456282792 /nfs/dbraw/zinc/28/27/92/456282792.db2.gz ZULKMDXLFWTZTM-CQSZACIVSA-N 0 3 349.434 3.117 20 5 EGBDHN CC1(C)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1O ZINC000275697876 456290245 /nfs/dbraw/zinc/29/02/45/456290245.db2.gz BIFALQIEDAYCMZ-KRWDZBQOSA-N 0 3 330.384 3.448 20 5 EGBDHN Cc1nc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000302188781 456310788 /nfs/dbraw/zinc/31/07/88/456310788.db2.gz XLLGSAQPXBZJTI-BBRMVZONSA-N 0 3 326.400 3.231 20 5 EGBDHN C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000343073745 456387781 /nfs/dbraw/zinc/38/77/81/456387781.db2.gz COIUYMZYKBZORH-NWDGAFQWSA-N 0 3 339.823 3.241 20 5 EGBDHN CCC(CC)CN(CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000303641097 456473650 /nfs/dbraw/zinc/47/36/50/456473650.db2.gz RAFCVFIDFBAVSR-UHFFFAOYSA-N 0 3 333.432 3.242 20 5 EGBDHN O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000299098058 456605718 /nfs/dbraw/zinc/60/57/18/456605718.db2.gz UYFYRJDIJOXEKB-KGLIPLIRSA-N 0 3 345.424 3.166 20 5 EGBDHN C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1 ZINC000348426258 456682919 /nfs/dbraw/zinc/68/29/19/456682919.db2.gz IHRQNAPYXGFBCG-CQSZACIVSA-N 0 3 342.399 3.237 20 5 EGBDHN CC(C)Cc1ccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)N(C)C)cc1 ZINC000340903148 456751660 /nfs/dbraw/zinc/75/16/60/456751660.db2.gz RSVLFRUBUPAZMN-MRXNPFEDSA-N 0 3 345.447 3.242 20 5 EGBDHN Cn1cccc1[C@@H]1CCCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283290581 456753591 /nfs/dbraw/zinc/75/35/91/456753591.db2.gz MPQOBOXLUWJLSL-KRWDZBQOSA-N 0 3 342.399 3.099 20 5 EGBDHN CN(c1ccccc1[N+](=O)[O-])C1CCN(CCc2ccccn2)CC1 ZINC000299700966 456769903 /nfs/dbraw/zinc/76/99/03/456769903.db2.gz QNEIXQUUBKBSED-UHFFFAOYSA-N 0 3 340.427 3.133 20 5 EGBDHN C[C@@H](c1ccccn1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299714848 456772428 /nfs/dbraw/zinc/77/24/28/456772428.db2.gz REVXWEFCYBCEMF-ZDUSSCGKSA-N 0 3 328.372 3.011 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)N1CCc2ccccc2C1 ZINC000301195569 456819318 /nfs/dbraw/zinc/81/93/18/456819318.db2.gz NVSOFJSBIZTGKR-CQSZACIVSA-N 0 3 326.400 3.157 20 5 EGBDHN CC(C)(NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000292114877 456858914 /nfs/dbraw/zinc/85/89/14/456858914.db2.gz JNAMCYAPHNAQDI-INIZCTEOSA-N 0 3 345.355 3.061 20 5 EGBDHN CN(C)CCN(C)Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000348908304 456887279 /nfs/dbraw/zinc/88/72/79/456887279.db2.gz ZBDJIAYFNOFZGO-UHFFFAOYSA-N 0 3 342.443 3.356 20 5 EGBDHN CCN1CCC(N(C)C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000331257384 457155477 /nfs/dbraw/zinc/15/54/77/457155477.db2.gz CUSMNUOWVZSIQA-UHFFFAOYSA-N 0 3 333.432 3.275 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331520175 457200217 /nfs/dbraw/zinc/20/02/17/457200217.db2.gz JMDCZISBZHZGAE-ZIAGYGMSSA-N 0 3 341.415 3.046 20 5 EGBDHN COc1ccc(-c2ccc(CNCC3=CCCOC3)o2)c([N+](=O)[O-])c1 ZINC000342288058 457214214 /nfs/dbraw/zinc/21/42/14/457214214.db2.gz LBUXCEGRDJDOOW-UHFFFAOYSA-N 0 3 344.367 3.300 20 5 EGBDHN O=C(CCN1CCS[C@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331625699 457220472 /nfs/dbraw/zinc/22/04/72/457220472.db2.gz GHALWJJTAJBYAP-HOTGVXAUSA-N 0 3 349.456 3.283 20 5 EGBDHN Cc1cnc(N(CCN(C)C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000347107506 457233753 /nfs/dbraw/zinc/23/37/53/457233753.db2.gz QNAAEEXXKWALCM-UHFFFAOYSA-N 0 3 332.379 3.006 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](c2cccs2)C2CC2)c1 ZINC000342486468 457330714 /nfs/dbraw/zinc/33/07/14/457330714.db2.gz ZCWQNSIYYYGEPS-YOEHRIQHSA-N 0 3 348.424 3.137 20 5 EGBDHN CC1(C)C[C@@H](NCCN2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433113990 457759751 /nfs/dbraw/zinc/75/97/51/457759751.db2.gz DWAOVQFVNIDGEK-QGZVFWFLSA-N 0 3 347.459 3.018 20 5 EGBDHN O=[N+]([O-])c1cccc(CNCC2(CO)CC(c3ccccc3)C2)c1 ZINC000433203903 457778197 /nfs/dbraw/zinc/77/81/97/457778197.db2.gz DHKGXYZZJOIZQE-UHFFFAOYSA-N 0 3 326.396 3.241 20 5 EGBDHN CCCN(CC(C)C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000411202402 457828493 /nfs/dbraw/zinc/82/84/93/457828493.db2.gz ODGFYUWZHVBTJG-CYBMUJFWSA-N 0 3 337.420 3.298 20 5 EGBDHN CCC1(CC)[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)[C@H]1OC ZINC000444695203 457943057 /nfs/dbraw/zinc/94/30/57/457943057.db2.gz DUYYCZIBTIZXOT-YMRXKLBXSA-N 0 3 346.431 3.400 20 5 EGBDHN COCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[C@H]1C ZINC000444696188 457944599 /nfs/dbraw/zinc/94/45/99/457944599.db2.gz VDOCKFBYLIFLPW-MLGOLLRUSA-N 0 3 332.404 3.108 20 5 EGBDHN CCC1(CC)[C@H](OC)C[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444697460 457946056 /nfs/dbraw/zinc/94/60/56/457946056.db2.gz KJXJYIMHVAGFRP-LSDHHAIUSA-N 0 3 332.404 3.154 20 5 EGBDHN COCC[C@@]1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOC1 ZINC000447083603 458263784 /nfs/dbraw/zinc/26/37/84/458263784.db2.gz BVSALOUZFLCYAS-GOSISDBHSA-N 0 3 346.383 3.140 20 5 EGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2ccc(F)c(F)c2)n1 ZINC000447544492 458308782 /nfs/dbraw/zinc/30/87/82/458308782.db2.gz VSFJODHRVGIBOG-CABCVRRESA-N 0 3 336.342 3.343 20 5 EGBDHN C[C@H]1C[C@@H](c2cccnc2)N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000376555098 458336525 /nfs/dbraw/zinc/33/65/25/458336525.db2.gz UGUKKCLFZJYFLQ-KSSFIOAISA-N 0 3 327.384 3.452 20 5 EGBDHN C[C@H]1C[C@H](c2cccnc2)N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000376555096 458336830 /nfs/dbraw/zinc/33/68/30/458336830.db2.gz UGUKKCLFZJYFLQ-KBXCAEBGSA-N 0 3 327.384 3.452 20 5 EGBDHN CN1CCCC(C)(C)[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000447808647 458345222 /nfs/dbraw/zinc/34/52/22/458345222.db2.gz XVSKBTNKCPEMND-INIZCTEOSA-N 0 3 346.431 3.012 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CC3CCC(F)(F)CC3)C2)nc1 ZINC000459370675 458347175 /nfs/dbraw/zinc/34/71/75/458347175.db2.gz GFJMDQTUXOWFIF-CYBMUJFWSA-N 0 3 340.374 3.302 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448083207 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Cc1nn(CN2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000795682990 1309806376 /nfs/dbraw/zinc/80/63/76/1309806376.db2.gz ZLRGCUVRUOLZIE-BRWVUGGUSA-N 0 3 326.400 3.325 20 5 EGBDHN COCCN(CCc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801513808 1310950473 /nfs/dbraw/zinc/95/04/73/1310950473.db2.gz RGAATNBZMWWEEN-UHFFFAOYSA-N 0 3 332.375 3.425 20 5 EGBDHN COc1cc(CNC[C@@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])cc1OC ZINC000824766737 1320284168 /nfs/dbraw/zinc/28/41/68/1320284168.db2.gz WXQBVDSISUBOEW-CYBMUJFWSA-N 0 3 349.214 3.286 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN[C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000857905687 1328621231 /nfs/dbraw/zinc/62/12/31/1328621231.db2.gz MTHNPHPWXJWCJT-AWEZNQCLSA-N 0 3 333.775 3.299 20 5 EGBDHN CN(C)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1cccs1 ZINC000804325495 1317219440 /nfs/dbraw/zinc/21/94/40/1317219440.db2.gz WAXWCSFFIHDIEC-LBPRGKRZSA-N 0 3 336.373 3.279 20 5 EGBDHN CC(C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)=C1CCCC1 ZINC001020064317 1317528554 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/nfs/dbraw/zinc/74/78/37/1321747837.db2.gz DEQFKWPIAURGLG-ABAIWWIYSA-N 0 3 349.362 3.341 20 5 EGBDHN CC([C@H](OC(=O)c1ncoc1C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845883496 1321750188 /nfs/dbraw/zinc/75/01/88/1321750188.db2.gz UBOVEHGMLKYFTD-XPTSAGLGSA-N 0 3 334.303 3.254 20 5 EGBDHN COc1csc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845880712 1321750332 /nfs/dbraw/zinc/75/03/32/1321750332.db2.gz XVNLCVYOGFUTTE-YMTOWFKASA-N 0 3 339.344 3.459 20 5 EGBDHN CC([C@H](OC(=O)c1ncoc1C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845883495 1321750647 /nfs/dbraw/zinc/75/06/47/1321750647.db2.gz UBOVEHGMLKYFTD-OTYXRUKQSA-N 0 3 334.303 3.254 20 5 EGBDHN COc1cc(C[NH2+]CCC[C@H]2CC2(Cl)Cl)c([N+](=O)[O-])cc1[O-] ZINC000846102559 1321768040 /nfs/dbraw/zinc/76/80/40/1321768040.db2.gz NVBXPRRELBBWCU-JTQLQIEISA-N 0 3 349.214 3.373 20 5 EGBDHN CC([C@H](OC(=O)[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000860855012 1329363626 /nfs/dbraw/zinc/36/36/26/1329363626.db2.gz PAGAUYZEHIJITP-FZRVKOKZSA-N 0 3 339.363 3.135 20 5 EGBDHN C[C@@H](NCCOCC(F)(F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000932177112 1329791168 /nfs/dbraw/zinc/79/11/68/1329791168.db2.gz IERQEUXRLPQBFH-SECBINFHSA-N 0 3 342.264 3.460 20 5 EGBDHN O=C(CCN[C@@H](c1ccccn1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000932381343 1329810464 /nfs/dbraw/zinc/81/04/64/1329810464.db2.gz NZIKLZQWHBOKCD-GOSISDBHSA-N 0 3 340.383 3.059 20 5 EGBDHN C[C@]12CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933706274 1329914721 /nfs/dbraw/zinc/91/47/21/1329914721.db2.gz IFLQXCYFPAABKQ-MJFFMMMISA-N 0 3 342.395 3.105 20 5 EGBDHN CC(C)C(=O)N1CCC2(C1)CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC001040612997 1345555914 /nfs/dbraw/zinc/55/59/14/1345555914.db2.gz NQDWAOHDXDUCGR-UHFFFAOYSA-N 0 3 345.443 3.065 20 5 EGBDHN Cc1cncc([N+](=O)[O-])c1NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC001323134548 1387299226 /nfs/dbraw/zinc/29/92/26/1387299226.db2.gz BDVICCQAERCWPE-CQSZACIVSA-N 0 3 334.807 3.088 20 5 EGBDHN O=[N+]([O-])c1ccc2oc(-c3nc([C@H]4CN5CCC4CC5)no3)cc2c1 ZINC001325469631 1387985307 /nfs/dbraw/zinc/98/53/07/1387985307.db2.gz LDIGKBWYOMXRSY-ZDUSSCGKSA-N 0 3 340.339 3.200 20 5 EGBDHN Oc1cccc2cc3cccc(O)c3c(O[C@@H]3CCNC[C@H]3F)c12 ZINC001218070117 1373553484 /nfs/dbraw/zinc/55/34/84/1373553484.db2.gz LOKYRDNWEVIQGF-CZUORRHYSA-N 0 3 327.355 3.483 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3CC[C@@H]4NCCO[C@@H]43)cc2)c1 ZINC001218118240 1373564440 /nfs/dbraw/zinc/56/44/40/1373564440.db2.gz DOJDDJUDAOHKDP-FHWLQOOXSA-N 0 3 340.379 3.160 20 5 EGBDHN Cc1cc2cc3ccc(N(C)C)cc3nc2cc1NC(=O)C1(N)CC1 ZINC001219207295 1373694105 /nfs/dbraw/zinc/69/41/05/1373694105.db2.gz FHTCYEPDIRUFAW-UHFFFAOYSA-N 0 3 334.423 3.192 20 5 EGBDHN O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)c1c2ccccc2cc2ccccc21 ZINC001219850255 1373736440 /nfs/dbraw/zinc/73/64/40/1373736440.db2.gz PKFNZMKBISDPFM-IRFCIJBXSA-N 0 3 346.430 3.242 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Oc1ncccc1[N+](=O)[O-] ZINC001225595957 1375130029 /nfs/dbraw/zinc/13/00/29/1375130029.db2.gz NQFGBCFJBRGWCH-PBHICJAKSA-N 0 3 327.384 3.279 20 5 EGBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1Oc1cccnc1[N+](=O)[O-] ZINC001225628263 1375134591 /nfs/dbraw/zinc/13/45/91/1375134591.db2.gz GDZISIJOJZIDHK-RHSMWYFYSA-N 0 3 327.384 3.279 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(O[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001226442496 1375259564 /nfs/dbraw/zinc/25/95/64/1375259564.db2.gz CJAPBOZKOTXEOL-INIZCTEOSA-N 0 3 328.368 3.257 20 5 EGBDHN O=[N+]([O-])c1ccc2oc(O[C@@H]3CCN(Cc4ccccc4)C3)nc2c1 ZINC001229484857 1375843503 /nfs/dbraw/zinc/84/35/03/1375843503.db2.gz SOXPSYNBHQEYOG-OAHLLOKOSA-N 0 3 339.351 3.389 20 5 EGBDHN O=C1CC[C@]2(CCCN(Cc3ccc4ccc5cccnc5c4n3)C2)O1 ZINC001232225838 1376419884 /nfs/dbraw/zinc/41/98/84/1376419884.db2.gz QEBZPSIRZGYQLQ-NRFANRHFSA-N 0 3 347.418 3.455 20 5 EGBDHN CC(C)[C@H]1CC[C@H](C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001135734647 1377198136 /nfs/dbraw/zinc/19/81/36/1377198136.db2.gz XYOODUDSTXOKAL-QAQDUYKDSA-N 0 3 347.459 3.263 20 5 EGBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)F)c1 ZINC001148564109 1379212430 /nfs/dbraw/zinc/21/24/30/1379212430.db2.gz CDXBYFLEHHGCIZ-UHFFFAOYSA-N 0 3 349.337 3.052 20 5 EGBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1(C2CCCCC2)CC1 ZINC001149135167 1379330752 /nfs/dbraw/zinc/33/07/52/1379330752.db2.gz SEBQHIYTYGGBRU-UHFFFAOYSA-N 0 3 345.443 3.161 20 5 EGBDHN CC(C)(C)CC(C)(C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001151938147 1379819084 /nfs/dbraw/zinc/81/90/84/1379819084.db2.gz CLUUVZYRQUZLHY-UHFFFAOYSA-N 0 3 335.448 3.263 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CN3CCC2CC3)nc1-c1ccc(F)cc1 ZINC001155667497 1380480744 /nfs/dbraw/zinc/48/07/44/1380480744.db2.gz KRSUZMFNDKPPMU-HNNXBMFYSA-N 0 3 342.374 3.302 20 5 EGBDHN NCc1cn(-c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cn1 ZINC001162304418 1382726623 /nfs/dbraw/zinc/72/66/23/1382726623.db2.gz QRMUQOAQCQMAQZ-UHFFFAOYSA-N 0 3 326.381 3.390 20 5 EGBDHN COc1c(F)cc(-n2c3ccccc3nc2[C@@H](C)N)cc1[N+](=O)[O-] ZINC001162765183 1382864408 /nfs/dbraw/zinc/86/44/08/1382864408.db2.gz DXJJPZRDMGRYAJ-SECBINFHSA-N 0 3 330.319 3.101 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(NC[C@H](c2ccccc2)N2CCCC2)n1 ZINC001166864387 1383489453 /nfs/dbraw/zinc/48/94/53/1383489453.db2.gz AGLLYAUCMWNPPL-MRXNPFEDSA-N 0 3 342.399 3.247 20 5 EGBDHN COc1ccc(C[C@H](C)NCc2cccnc2Cl)c([N+](=O)[O-])c1 ZINC001170311082 1384287918 /nfs/dbraw/zinc/28/79/18/1384287918.db2.gz ZCTYRXKNTSTPJT-NSHDSACASA-N 0 3 335.791 3.373 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC001173220427 1384938399 /nfs/dbraw/zinc/93/83/99/1384938399.db2.gz ADKWLXDQNPSQGH-IUODEOHRSA-N 0 3 346.349 3.305 20 5 EGBDHN Cc1nc([C@@H]2CCCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001173223132 1384939212 /nfs/dbraw/zinc/93/92/12/1384939212.db2.gz YJMYWYAANNVIQY-IUODEOHRSA-N 0 3 330.388 3.097 20 5 EGBDHN Cc1nnc(C2CCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC001173233551 1384941293 /nfs/dbraw/zinc/94/12/93/1384941293.db2.gz XFHOOCFIDRTLFZ-LBPRGKRZSA-N 0 3 330.388 3.097 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001173238974 1384943213 /nfs/dbraw/zinc/94/32/13/1384943213.db2.gz YWTKNEICWFYSQY-ZYSHUDEJSA-N 0 3 349.450 3.424 20 5 EGBDHN Cc1cccc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)c1C ZINC001175065615 1385188721 /nfs/dbraw/zinc/18/87/21/1385188721.db2.gz XFELLLBVCFQVJJ-UHFFFAOYSA-N 0 3 347.440 3.183 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001320496329 1386627676 /nfs/dbraw/zinc/62/76/76/1386627676.db2.gz AGMDAQNQVQVMTO-GFCCVEGCSA-N 0 3 334.763 3.107 20 5 EGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC001329583003 1389166970 /nfs/dbraw/zinc/16/69/70/1389166970.db2.gz LJLFRSZAOVASQK-DZGCQCFKSA-N 0 3 332.400 3.394 20 5 EGBDHN Cc1cc(CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])no1 ZINC001344013824 1390749968 /nfs/dbraw/zinc/74/99/68/1390749968.db2.gz UYYIBJQBJJOWGJ-BZNIZROVSA-N 0 3 336.319 3.004 20 5 EGBDHN C[C@H](C[S@@](C)=O)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000184265830 235350048 /nfs/dbraw/zinc/35/00/48/235350048.db2.gz KZNXCWXQGAXFHA-RKFFSXRUSA-N 0 3 338.454 3.180 20 5 EGBDHN Cc1nn(C)c(N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000267524487 201223592 /nfs/dbraw/zinc/22/35/92/201223592.db2.gz RIDKKVARTNRCKS-CJNGLKHVSA-N 0 3 343.431 3.102 20 5 EGBDHN C[C@H]1[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCCN1C ZINC000343511855 291308980 /nfs/dbraw/zinc/30/89/80/291308980.db2.gz JDOHZWFPHDBAJV-SWLSCSKDSA-N 0 3 333.432 3.105 20 5 EGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](C)C1 ZINC000264941989 247069600 /nfs/dbraw/zinc/06/96/00/247069600.db2.gz SBUDBRQMKUZFCE-NWDGAFQWSA-N 0 3 339.823 3.098 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNC(=O)c1cccs1 ZINC000344916893 533409050 /nfs/dbraw/zinc/40/90/50/533409050.db2.gz VWTUMJZXTUVNHK-JLHYYAGUSA-N 0 3 345.424 3.079 20 5 EGBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000008118431 140759510 /nfs/dbraw/zinc/75/95/10/140759510.db2.gz UYYZQLDFRCVQQQ-STQMWFEESA-N 0 3 343.383 3.281 20 5 EGBDHN CCOC(=O)C[C@](C)(NCc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000186691231 144141248 /nfs/dbraw/zinc/14/12/48/144141248.db2.gz GPYVHDBTNYPFMT-KRWDZBQOSA-N 0 3 338.404 3.061 20 5 EGBDHN CCN(CCN1CCCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000351204185 144258723 /nfs/dbraw/zinc/25/87/23/144258723.db2.gz PQFATAIHUYGXJL-UHFFFAOYSA-N 0 3 334.420 3.325 20 5 EGBDHN COc1ccccc1[C@@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000305184952 154089007 /nfs/dbraw/zinc/08/90/07/154089007.db2.gz PCKLLQZYSAOOQG-ZWKOTPCHSA-N 0 3 342.395 3.474 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000311013475 154144837 /nfs/dbraw/zinc/14/48/37/154144837.db2.gz AURFUHWOFIDRMP-INIZCTEOSA-N 0 3 343.431 3.196 20 5 EGBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CCCC[C@@H]3OC(F)F)nc2c1 ZINC000337377746 154319308 /nfs/dbraw/zinc/31/93/08/154319308.db2.gz BXOYGUIKGXAADG-AAEUAGOBSA-N 0 3 340.330 3.111 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCC[C@H]1OC(F)F ZINC000337397011 154331331 /nfs/dbraw/zinc/33/13/31/154331331.db2.gz JCJXENKWXKPNMO-QWHCGFSZSA-N 0 3 330.331 3.243 20 5 EGBDHN COc1cc(CN[C@@H]2CCCC[C@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000337398618 154333283 /nfs/dbraw/zinc/33/32/83/154333283.db2.gz JOUHYZMMBSYMSC-DGCLKSJQSA-N 0 3 330.331 3.243 20 5 EGBDHN CCC[C@H](N[C@@H]1CC(=O)N2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000338009992 154602498 /nfs/dbraw/zinc/60/24/98/154602498.db2.gz HGMPLFGGQGJCII-BBWFWOEESA-N 0 3 331.416 3.179 20 5 EGBDHN CN(C)CCN(Cc1cccc(F)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000349062730 156339957 /nfs/dbraw/zinc/33/99/57/156339957.db2.gz NUZJCSLYEKMXIH-UHFFFAOYSA-N 0 3 349.381 3.437 20 5 EGBDHN COc1ccc(-c2ccc(CN3CCC[C@@](C)(O)C3)o2)c([N+](=O)[O-])c1 ZINC000129500760 162359225 /nfs/dbraw/zinc/35/92/25/162359225.db2.gz MLPPEIYOJSZVQF-GOSISDBHSA-N 0 3 346.383 3.210 20 5 EGBDHN C[C@@H]1CCCC[C@H]1OCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345633637 164231248 /nfs/dbraw/zinc/23/12/48/164231248.db2.gz KPTVGKJURMWPMM-HLLBOEOZSA-N 0 3 348.447 3.071 20 5 EGBDHN CC(C)(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000346114169 164339495 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349.431 3.330 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000274294327 267213263 /nfs/dbraw/zinc/21/32/63/267213263.db2.gz RTRXDTYLLVKHEQ-OAHLLOKOSA-N 0 3 346.431 3.304 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1COC3(CCCC3)O1)CCC2 ZINC000278377179 268000132 /nfs/dbraw/zinc/00/01/32/268000132.db2.gz CQLNEOSFTNOOCR-RDJZCZTQSA-N 0 3 332.400 3.248 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1ccco1 ZINC000069070446 275150866 /nfs/dbraw/zinc/15/08/66/275150866.db2.gz BCXOWJSRQIIBFR-GFCCVEGCSA-N 0 3 347.371 3.218 20 5 EGBDHN COc1ccc(CN[C@@H](C)[C@@H](OC)c2ccccc2)cc1[N+](=O)[O-] ZINC000279773633 275358392 /nfs/dbraw/zinc/35/83/92/275358392.db2.gz SPKSEWHQKGXIPI-SCLBCKFNSA-N 0 3 330.384 3.469 20 5 EGBDHN CN(C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1ccccc1 ZINC000286693683 276033886 /nfs/dbraw/zinc/03/38/86/276033886.db2.gz BSFSNOGDKRGWHD-CYBMUJFWSA-N 0 3 343.412 3.314 20 5 EGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)c1 ZINC000288352437 276205183 /nfs/dbraw/zinc/20/51/83/276205183.db2.gz KIKFKHFQHUJYFF-QWHCGFSZSA-N 0 3 349.456 3.016 20 5 EGBDHN Cc1c(NC(=O)CCN2CCCc3occc3C2)cccc1[N+](=O)[O-] ZINC000288763943 276250285 /nfs/dbraw/zinc/25/02/85/276250285.db2.gz JAYFAZHFVORCOH-UHFFFAOYSA-N 0 3 343.383 3.273 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCc2occc2C1 ZINC000288915517 276266944 /nfs/dbraw/zinc/26/69/44/276266944.db2.gz UPTMIFOFWQSMON-UHFFFAOYSA-N 0 3 343.383 3.273 20 5 EGBDHN CC(C)[C@@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000289569911 276359333 /nfs/dbraw/zinc/35/93/33/276359333.db2.gz SJWLQBOWMRDLCC-XJKSGUPXSA-N 0 3 331.420 3.031 20 5 EGBDHN Cc1nnc(CCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)s1 ZINC000289659675 276373811 /nfs/dbraw/zinc/37/38/11/276373811.db2.gz GQQCZIWYZWDULY-CQSZACIVSA-N 0 3 332.429 3.309 20 5 EGBDHN CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000042064436 276746537 /nfs/dbraw/zinc/74/65/37/276746537.db2.gz KVNLJCBNJAIFQL-UHFFFAOYSA-N 0 3 333.432 3.059 20 5 EGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000351484480 278259397 /nfs/dbraw/zinc/25/93/97/278259397.db2.gz UMYXTDCLHMSKJK-STQMWFEESA-N 0 3 345.399 3.191 20 5 EGBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000303510642 278278084 /nfs/dbraw/zinc/27/80/84/278278084.db2.gz WWHKSZOVSPQWDO-AWEZNQCLSA-N 0 3 342.399 3.237 20 5 EGBDHN Cc1ccccc1O[C@@H]1CCCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000362029165 302108387 /nfs/dbraw/zinc/10/83/87/302108387.db2.gz RWZQJBXJBRWEGK-RHSMWYFYSA-N 0 3 344.415 3.117 20 5 EGBDHN C[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1[C@H](C)CC[C@H]1C ZINC000413823413 309049117 /nfs/dbraw/zinc/04/91/17/309049117.db2.gz AANKHHICSADQPF-MGPQQGTHSA-N 0 3 333.432 3.207 20 5 EGBDHN Cc1ccc(CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665236 307381310 /nfs/dbraw/zinc/38/13/10/307381310.db2.gz AQQMOIKMVMYUJV-INIZCTEOSA-N 0 3 326.400 3.027 20 5 EGBDHN C[C@@H](NCCc1cc(F)cc2c1OCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000120748287 307510515 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3.018 20 5 EGBDHN COC(=O)[C@]1(C)CCCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000414560801 309089486 /nfs/dbraw/zinc/08/94/86/309089486.db2.gz RDXMCURDVZZSQP-RXEWJAMOSA-N 0 3 332.400 3.273 20 5 EGBDHN Cc1cccc(C(=O)N[C@@H](CC(C)C)CN2CCCC2)c1[N+](=O)[O-] ZINC000295308160 308312967 /nfs/dbraw/zinc/31/29/67/308312967.db2.gz BPMMBZGTVLTYPS-HNNXBMFYSA-N 0 3 333.432 3.144 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CC[C@H](N3CC=CC3)C2)cc1C(F)(F)F ZINC000301483570 308702075 /nfs/dbraw/zinc/70/20/75/308702075.db2.gz UQDZZAYIDBCVKS-LBPRGKRZSA-N 0 3 327.306 3.064 20 5 EGBDHN Cc1ccc(C)c(OC[C@H](O)CNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000327568195 308771566 /nfs/dbraw/zinc/77/15/66/308771566.db2.gz YYGAFPZJKPRQEX-QGZVFWFLSA-N 0 3 344.411 3.050 20 5 EGBDHN O=C(CCNC1(c2cccc(F)c2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411469535 308940411 /nfs/dbraw/zinc/94/04/11/308940411.db2.gz GWQWEGLELRRZMG-UHFFFAOYSA-N 0 3 343.358 3.341 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN([C@H]3C[C@H]3c3cccc(F)c3)CC2)n1 ZINC000411655740 308947224 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O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2COCc3ccccc32)n1 ZINC000417359260 309202884 /nfs/dbraw/zinc/20/28/84/309202884.db2.gz IJPHBZVIKBBZCC-BRWVUGGUSA-N 0 3 342.399 3.136 20 5 EGBDHN Cc1cc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC000421393035 309322589 /nfs/dbraw/zinc/32/25/89/309322589.db2.gz YIYPENRMQDKBIR-LBPRGKRZSA-N 0 3 342.399 3.114 20 5 EGBDHN COC1([C@@H](C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOCC1 ZINC000421396469 309322717 /nfs/dbraw/zinc/32/27/17/309322717.db2.gz BSZTYYCYLDFRQG-CQSZACIVSA-N 0 3 336.432 3.392 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1ccc(CN(C)C)cc1 ZINC000421741103 309337899 /nfs/dbraw/zinc/33/78/99/309337899.db2.gz NLEVRNDHKVBRMR-UHFFFAOYSA-N 0 3 341.411 3.203 20 5 EGBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@]1(N(C)C)CCSC1 ZINC000444826941 309931672 /nfs/dbraw/zinc/93/16/72/309931672.db2.gz JBDWPWJOIDKTQY-CQSZACIVSA-N 0 3 329.853 3.406 20 5 EGBDHN C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1cccc(O)c1 ZINC000446891909 309970400 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EGBDHN Cc1ccc(C[C@H](CO)NC/C=C\c2ccccc2[N+](=O)[O-])cc1C ZINC000453627694 310285581 /nfs/dbraw/zinc/28/55/81/310285581.db2.gz MKZVTJQGHUBEQE-SUOMESGTSA-N 0 3 340.423 3.418 20 5 EGBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456134482 310389982 /nfs/dbraw/zinc/38/99/82/310389982.db2.gz GRWHUFVQZINQBG-HLLBOEOZSA-N 0 3 345.443 3.174 20 5 EGBDHN CCC(CC)[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000467832384 310678656 /nfs/dbraw/zinc/67/86/56/310678656.db2.gz QUKPVBJPTGVSEU-HNAYVOBHSA-N 0 3 349.475 3.382 20 5 EGBDHN COC(=O)c1ccc(Cl)c(CNCCc2ccccc2[N+](=O)[O-])c1 ZINC000482249557 310929312 /nfs/dbraw/zinc/92/93/12/310929312.db2.gz YVQCAKGESNMDER-UHFFFAOYSA-N 0 3 348.786 3.367 20 5 EGBDHN C[C@H]1C[C@H]1N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488751545 311078463 /nfs/dbraw/zinc/07/84/63/311078463.db2.gz PRHDGGBEGKGBBN-GRDNDAEWSA-N 0 3 340.427 3.310 20 5 EGBDHN CCN(CCNCc1csc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000494847515 311517746 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EGBDHN O=[N+]([O-])c1ccc(CNCCc2ccc(F)c(F)c2F)c(F)c1 ZINC000612199791 460565283 /nfs/dbraw/zinc/56/52/83/460565283.db2.gz WXMLPXPOKDCPMF-UHFFFAOYSA-N 0 3 328.265 3.484 20 5 EGBDHN Cc1ccc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000026224401 453794860 /nfs/dbraw/zinc/79/48/60/453794860.db2.gz AUSKTTVVQOXDAI-UHFFFAOYSA-N 0 3 327.384 3.364 20 5 EGBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000029166106 453826905 /nfs/dbraw/zinc/82/69/05/453826905.db2.gz ZVSZJLOGHSNCLJ-AWEZNQCLSA-N 0 3 347.440 3.469 20 5 EGBDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000066472860 453847869 /nfs/dbraw/zinc/84/78/69/453847869.db2.gz BFKZMJUQSVRDLI-GOEBONIOSA-N 0 3 333.432 3.112 20 5 EGBDHN Cc1ccccc1[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053279466 453869151 /nfs/dbraw/zinc/86/91/51/453869151.db2.gz QFXDEWOLQGDPQS-KRWDZBQOSA-N 0 3 339.395 3.339 20 5 EGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(CCN2CCOCC2)CC1 ZINC000075675905 453916470 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CN(CCCOc1ccccc1)CCOc1ccccc1[N+](=O)[O-] ZINC000059384325 454258418 /nfs/dbraw/zinc/25/84/18/454258418.db2.gz WGHBDMQUGGQYNZ-UHFFFAOYSA-N 0 3 330.384 3.375 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN(CC3CC3)CC3CC3)o2)cc1 ZINC000072637902 454320442 /nfs/dbraw/zinc/32/04/42/454320442.db2.gz XEZNHOOJFUSJRC-UHFFFAOYSA-N 0 3 328.372 3.267 20 5 EGBDHN CC(C)(C)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(F)cc1 ZINC000090552445 454321351 /nfs/dbraw/zinc/32/13/51/454321351.db2.gz NMFJYUHNQMDGPR-UHFFFAOYSA-N 0 3 347.390 3.196 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(N2CCCN(Cc3ccccc3)CC2)n1 ZINC000120679116 454334530 /nfs/dbraw/zinc/33/45/30/454334530.db2.gz HXNNRTFCUBOOCB-UHFFFAOYSA-N 0 3 326.400 3.011 20 5 EGBDHN COc1cc(NCCN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000090719848 454338262 /nfs/dbraw/zinc/33/82/62/454338262.db2.gz SRUTZEZYHXTGAQ-CYBMUJFWSA-N 0 3 345.399 3.375 20 5 EGBDHN Cc1c([C@@H](C)N[C@H]2CCN(c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000090801579 454341386 /nfs/dbraw/zinc/34/13/86/454341386.db2.gz NTUFUASFEQEMFR-CABCVRRESA-N 0 3 326.400 3.228 20 5 EGBDHN CCN(CC)[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)c1ccsc1 ZINC000079900301 454496039 /nfs/dbraw/zinc/49/60/39/454496039.db2.gz GYQQKLAIFQTBTQ-CYBMUJFWSA-N 0 3 337.449 3.193 20 5 EGBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000080230854 454552394 /nfs/dbraw/zinc/55/23/94/454552394.db2.gz WNAAKHMDPUUQCH-HOCLYGCPSA-N 0 3 326.400 3.455 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC3(CO)CC3)o2)c(Cl)c1 ZINC000080246622 454555683 /nfs/dbraw/zinc/55/56/83/454555683.db2.gz QKXPYUVDOGUMHR-UHFFFAOYSA-N 0 3 336.775 3.370 20 5 EGBDHN COc1ccc(OCCN2CCCC[C@@H](SC)C2)c([N+](=O)[O-])c1 ZINC000134582594 454564123 /nfs/dbraw/zinc/56/41/23/454564123.db2.gz MDAKTDLPPVLAMW-CQSZACIVSA-N 0 3 340.445 3.200 20 5 EGBDHN COc1ccc(CN(C)CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000051454296 454625596 /nfs/dbraw/zinc/62/55/96/454625596.db2.gz YJKCVCVRLXEQDM-UHFFFAOYSA-N 0 3 330.384 3.287 20 5 EGBDHN Cc1cc(NCC2(N3CCSCC3)CCCC2)ncc1[N+](=O)[O-] ZINC000074740427 454628066 /nfs/dbraw/zinc/62/80/66/454628066.db2.gz WPGTULNGKKGATC-UHFFFAOYSA-N 0 3 336.461 3.072 20 5 EGBDHN Cc1cc(N2CCCN(Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000074765579 454631155 /nfs/dbraw/zinc/63/11/55/454631155.db2.gz DQBGVBLYYDASAX-INIZCTEOSA-N 0 3 340.427 3.399 20 5 EGBDHN Cc1cc(N2CC[C@H](C)N(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074768860 454632792 /nfs/dbraw/zinc/63/27/92/454632792.db2.gz JAJFZJQOIFBCFV-INIZCTEOSA-N 0 3 340.427 3.399 20 5 EGBDHN Cc1c(CN2CCC[C@@H](Cc3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000123642848 454660735 /nfs/dbraw/zinc/66/07/35/454660735.db2.gz XULCJBUUCAIJRL-HNNXBMFYSA-N 0 3 328.416 3.091 20 5 EGBDHN COC(=O)C(C)(C)[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000093282953 454699361 /nfs/dbraw/zinc/69/93/61/454699361.db2.gz UMXDVKUFKSRLNB-OAHLLOKOSA-N 0 3 334.416 3.314 20 5 EGBDHN CSc1ccc(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106790922 454719780 /nfs/dbraw/zinc/71/97/80/454719780.db2.gz VRBFYHXNFGPLAR-ZDUSSCGKSA-N 0 3 349.456 3.063 20 5 EGBDHN CN(CCCOc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136924026 454761109 /nfs/dbraw/zinc/76/11/09/454761109.db2.gz TVBFMAAAMHDLQA-SFHVURJKSA-N 0 3 330.384 3.029 20 5 EGBDHN C[C@@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000125958131 454859804 /nfs/dbraw/zinc/85/98/04/454859804.db2.gz ZGYGOLSIALWHPH-CZUORRHYSA-N 0 3 331.416 3.037 20 5 EGBDHN CC(C)(C)C(=O)NC[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000112699754 454897518 /nfs/dbraw/zinc/89/75/18/454897518.db2.gz YBYKSZFLFNZQMQ-MRXNPFEDSA-N 0 3 347.459 3.012 20 5 EGBDHN CC[C@@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126986369 454930862 /nfs/dbraw/zinc/93/08/62/454930862.db2.gz YEYMTOWGFGSACJ-SJLPKXTDSA-N 0 3 345.443 3.427 20 5 EGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc(C)ccc2[N+](=O)[O-])o1 ZINC000151076080 454934135 /nfs/dbraw/zinc/93/41/35/454934135.db2.gz YXMPNNQVOSUJPP-UHFFFAOYSA-N 0 3 345.399 3.009 20 5 EGBDHN COc1ncccc1CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151138633 454943185 /nfs/dbraw/zinc/94/31/85/454943185.db2.gz QOXGYLBDENPCPX-MRXNPFEDSA-N 0 3 327.384 3.109 20 5 EGBDHN CSc1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000170684289 454956251 /nfs/dbraw/zinc/95/62/51/454956251.db2.gz RJRBOLKOWOLQPK-AWEZNQCLSA-N 0 3 349.456 3.017 20 5 EGBDHN COc1cccc2c1OC[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000178653903 454965990 /nfs/dbraw/zinc/96/59/90/454965990.db2.gz HHYZTXYTSDDQKX-WFASDCNBSA-N 0 3 328.368 3.258 20 5 EGBDHN Cc1c([C@@H](C)NCc2ccc(-n3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000178742659 454971796 /nfs/dbraw/zinc/97/17/96/454971796.db2.gz KMGADYRTYBBXQB-CQSZACIVSA-N 0 3 337.383 3.335 20 5 EGBDHN CCc1ccc(OC[C@@H](O)CN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000155305632 454985163 /nfs/dbraw/zinc/98/51/63/454985163.db2.gz RCHMPEBYFSRYBS-KRWDZBQOSA-N 0 3 344.411 3.029 20 5 EGBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000115437605 455015647 /nfs/dbraw/zinc/01/56/47/455015647.db2.gz IYXYGJGTKVNQPG-AWEZNQCLSA-N 0 3 347.459 3.306 20 5 EGBDHN C[C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cn1ccnc1 ZINC000171051840 455021752 /nfs/dbraw/zinc/02/17/52/455021752.db2.gz HAMXRDLHXXTGLD-CQSZACIVSA-N 0 3 340.383 3.477 20 5 EGBDHN O=[N+]([O-])c1ccc(CNCCOc2ccc(C(F)(F)F)cn2)cc1 ZINC000152214191 455087456 /nfs/dbraw/zinc/08/74/56/455087456.db2.gz FYEQKYSCVRAQQA-UHFFFAOYSA-N 0 3 341.289 3.177 20 5 EGBDHN CN(C[C@H]1CCCN(C)C1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172232376 455137323 /nfs/dbraw/zinc/13/73/23/455137323.db2.gz OKDBCQWXZJLHSE-LBPRGKRZSA-N 0 3 347.440 3.223 20 5 EGBDHN CC[C@@H](CCO)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152621691 455143388 /nfs/dbraw/zinc/14/33/88/455143388.db2.gz NADHLGUJCGVINK-LBPRGKRZSA-N 0 3 335.429 3.217 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000237422926 455183792 /nfs/dbraw/zinc/18/37/92/455183792.db2.gz SJYAATJAVTVHBG-SUNYJGFJSA-N 0 3 341.411 3.417 20 5 EGBDHN CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC[C@@H]1O ZINC000180531760 455190499 /nfs/dbraw/zinc/19/04/99/455190499.db2.gz AZQLMEAQDXSECF-YOEHRIQHSA-N 0 3 330.384 3.448 20 5 EGBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000245424060 455293801 /nfs/dbraw/zinc/29/38/01/455293801.db2.gz JVRAAKCNCNOJBI-LSBZLQRGSA-N 0 3 342.395 3.028 20 5 EGBDHN CN(C)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC000174951515 455418695 /nfs/dbraw/zinc/41/86/95/455418695.db2.gz HZISXYJSNWHBAV-HNNXBMFYSA-N 0 3 347.802 3.281 20 5 EGBDHN Cc1ccccc1C[C@H](CO)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191561201 455497057 /nfs/dbraw/zinc/49/70/57/455497057.db2.gz UJVAIPKAGBIKEN-CRAIPNDOSA-N 0 3 328.412 3.466 20 5 EGBDHN Cc1cccc(C[C@H](CO)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000191602992 455502462 /nfs/dbraw/zinc/50/24/62/455502462.db2.gz CCSCMEXRDQVASI-DOTOQJQBSA-N 0 3 328.412 3.466 20 5 EGBDHN CC(=O)Nc1cccc([C@@H](C)NCCOc2cccc([N+](=O)[O-])c2)c1 ZINC000182532012 455534498 /nfs/dbraw/zinc/53/44/98/455534498.db2.gz HFXICOSNGHGFHS-CYBMUJFWSA-N 0 3 343.383 3.283 20 5 EGBDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)C1CCCCC1 ZINC000185511189 455570168 /nfs/dbraw/zinc/57/01/68/455570168.db2.gz XFQNKHGRNRSUBV-OLZOCXBDSA-N 0 3 333.432 3.388 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCN1CCCCCC1 ZINC000267968904 455572553 /nfs/dbraw/zinc/57/25/53/455572553.db2.gz MHNSHHAXRBTXIM-UHFFFAOYSA-N 0 3 334.420 3.209 20 5 EGBDHN CCn1cnnc1[C@@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182731611 455578344 /nfs/dbraw/zinc/57/83/44/455578344.db2.gz UBULCYMRAIZQOH-LSDHHAIUSA-N 0 3 343.431 3.455 20 5 EGBDHN O=[N+]([O-])c1cccc(CCN[C@@H](c2nc[nH]n2)C2CCCCC2)c1 ZINC000292202076 455595229 /nfs/dbraw/zinc/59/52/29/455595229.db2.gz PPUHMDBADIIYOI-MRXNPFEDSA-N 0 3 329.404 3.167 20 5 EGBDHN C[C@@H](NCc1ccc(Cn2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000192465013 455623357 /nfs/dbraw/zinc/62/33/57/455623357.db2.gz YWKMQVZTWSBBLW-CQSZACIVSA-N 0 3 337.383 3.085 20 5 EGBDHN CC[C@H](N[C@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000271583756 455692907 /nfs/dbraw/zinc/69/29/07/455692907.db2.gz XIWYPGONJKYBLY-SCDSUCTJSA-N 0 3 334.338 3.207 20 5 EGBDHN Cc1cccc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000187185770 455878542 /nfs/dbraw/zinc/87/85/42/455878542.db2.gz BVGUPXZKDJLUFQ-KBXCAEBGSA-N 0 3 341.411 3.324 20 5 EGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000270997865 456092384 /nfs/dbraw/zinc/09/23/84/456092384.db2.gz LHLLWQMXYASWDC-NSHDSACASA-N 0 3 339.823 3.051 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000297068127 456108346 /nfs/dbraw/zinc/10/83/46/456108346.db2.gz DHPCMQFTNVRTJA-GOSISDBHSA-N 0 3 346.431 3.161 20 5 EGBDHN C[C@@H]1CN(CCC2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301596327 456155799 /nfs/dbraw/zinc/15/57/99/456155799.db2.gz ZILRADMKSXZNMB-IYBDPMFKSA-N 0 3 347.459 3.311 20 5 EGBDHN CCC(=O)c1ccc(NCCCN2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000281560878 456265895 /nfs/dbraw/zinc/26/58/95/456265895.db2.gz UNSASVAULHRREO-AWEZNQCLSA-N 0 3 349.431 3.100 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1 ZINC000342912275 456308685 /nfs/dbraw/zinc/30/86/85/456308685.db2.gz BNNJNTDHTMUNAT-UHFFFAOYSA-N 0 3 338.367 3.390 20 5 EGBDHN O=C(CCN1CC2(CCC2)[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000290766223 456424138 /nfs/dbraw/zinc/42/41/38/456424138.db2.gz KVAXMJNNPUKWRO-KRWDZBQOSA-N 0 3 329.400 3.188 20 5 EGBDHN CC(C)(NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1cccs1 ZINC000348314483 456616823 /nfs/dbraw/zinc/61/68/23/456616823.db2.gz GODJRVAFYNLQMB-UHFFFAOYSA-N 0 3 345.424 3.070 20 5 EGBDHN COc1ccc(-c2ccc(CN(C)[C@@H]3CCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000348562736 456767279 /nfs/dbraw/zinc/76/72/79/456767279.db2.gz ZYZSVDNNCMUVJF-WBVHZDCISA-N 0 3 346.383 3.209 20 5 EGBDHN Cc1c(CN(C)CCCN(C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000353580893 456778728 /nfs/dbraw/zinc/77/87/28/456778728.db2.gz ZMFVVJDIEOLPAG-UHFFFAOYSA-N 0 3 331.416 3.450 20 5 EGBDHN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1(O)CCCC1 ZINC000339051441 456916507 /nfs/dbraw/zinc/91/65/07/456916507.db2.gz LQFBHWCHHFRNOP-UHFFFAOYSA-N 0 3 332.322 3.351 20 5 EGBDHN C[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCC[C@H]1C ZINC000349373295 456957095 /nfs/dbraw/zinc/95/70/95/456957095.db2.gz ONIKLFIHZHADFJ-OLZOCXBDSA-N 0 3 344.415 3.069 20 5 EGBDHN COCCOCc1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000342135751 457128724 /nfs/dbraw/zinc/12/87/24/457128724.db2.gz LHSSRLPUNCASGV-UHFFFAOYSA-N 0 3 344.411 3.356 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@@H]3CCCCC3(F)F)C2)nc1 ZINC000331581515 457211837 /nfs/dbraw/zinc/21/18/37/457211837.db2.gz XFFPEQWFVPNLJJ-STQMWFEESA-N 0 3 340.374 3.302 20 5 EGBDHN O=C(CCN1CCS[C@@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331625701 457219872 /nfs/dbraw/zinc/21/98/72/457219872.db2.gz GHALWJJTAJBYAP-HZPDHXFCSA-N 0 3 349.456 3.283 20 5 EGBDHN Cc1nnc([C@@H]2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000332379794 457359226 /nfs/dbraw/zinc/35/92/26/457359226.db2.gz YOWLBANNSZBIHP-GFCCVEGCSA-N 0 3 335.795 3.054 20 5 EGBDHN CCOCCO[C@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347347149 457366004 /nfs/dbraw/zinc/36/60/04/457366004.db2.gz VTWYPIILGGYJCH-OTMARIDSSA-N 0 3 334.416 3.126 20 5 EGBDHN CC(C)(C(=O)NC[C@H]1CCCCN1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000347354260 457370119 /nfs/dbraw/zinc/37/01/19/457370119.db2.gz GFGHZRRBFCVNSX-QGZVFWFLSA-N 0 3 345.443 3.006 20 5 EGBDHN CCc1ccc([C@@H](CNc2c([N+](=O)[O-])nc(C)n2CC)N(C)C)cc1 ZINC000360840864 457378645 /nfs/dbraw/zinc/37/86/45/457378645.db2.gz DDFLYGKUBHSYBV-MRXNPFEDSA-N 0 3 345.447 3.397 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1cccs1)N1CCCC1 ZINC000360842820 457380523 /nfs/dbraw/zinc/38/05/23/457380523.db2.gz QVKQCCCIFCCEFV-CYBMUJFWSA-N 0 3 349.460 3.430 20 5 EGBDHN CC1(C)C[C@H](c2ccccc2)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000425537335 457590048 /nfs/dbraw/zinc/59/00/48/457590048.db2.gz GXSASDHNCWQFJU-QGZVFWFLSA-N 0 3 341.411 3.230 20 5 EGBDHN C[C@@H]1C[C@@H](c2cccnc2)N(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000370230871 457593630 /nfs/dbraw/zinc/59/36/30/457593630.db2.gz PPHOGMQXXMHEQY-KDOFPFPSSA-N 0 3 327.384 3.452 20 5 EGBDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000361151386 457615917 /nfs/dbraw/zinc/61/59/17/457615917.db2.gz DPZIMDUWOQQFEB-UONOGXRCSA-N 0 3 329.400 3.379 20 5 EGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CCN(CC)CC1 ZINC000361215395 457648403 /nfs/dbraw/zinc/64/84/03/457648403.db2.gz YTHUHLAFWSHBMK-MRXNPFEDSA-N 0 3 347.459 3.106 20 5 EGBDHN C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H](C)C1 ZINC000357838496 457707298 /nfs/dbraw/zinc/70/72/98/457707298.db2.gz LEPKNJXWSRMYID-QWHCGFSZSA-N 0 3 345.399 3.191 20 5 EGBDHN C[C@@H](NC[C@@H]1COCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358214810 457864478 /nfs/dbraw/zinc/86/44/78/457864478.db2.gz FIECCKPOCYUYSA-CHWSQXEVSA-N 0 3 348.424 3.389 20 5 EGBDHN CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC000444679075 457938001 /nfs/dbraw/zinc/93/80/01/457938001.db2.gz TUTPAHLVWDIUOM-CJNGLKHVSA-N 0 3 349.431 3.443 20 5 EGBDHN CC(C)[C@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000444751611 457966440 /nfs/dbraw/zinc/96/64/40/457966440.db2.gz BPCNXONIKCUPFC-YOEHRIQHSA-N 0 3 331.416 3.068 20 5 EGBDHN CCN1CCCC[C@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436400594 458299994 /nfs/dbraw/zinc/29/99/94/458299994.db2.gz PDZMUNDFGVROSM-JTQLQIEISA-N 0 3 332.326 3.295 20 5 EGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc3c(c2)COC3)n1 ZINC000447586100 458316834 /nfs/dbraw/zinc/31/68/34/458316834.db2.gz LOOYEKMFOLLYFA-IAGOWNOFSA-N 0 3 342.399 3.095 20 5 EGBDHN C[C@H](CCCc1cccnc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000459642558 458434945 /nfs/dbraw/zinc/43/49/45/458434945.db2.gz SLLIJMYCAULVNU-CYBMUJFWSA-N 0 3 339.399 3.367 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H]1NCCc3ccccc31)CCC2 ZINC000423445524 458435133 /nfs/dbraw/zinc/43/51/33/458435133.db2.gz YJCSXJBVPPFVPE-PMACEKPBSA-N 0 3 337.423 3.449 20 5 EGBDHN CN(C)CCN(Cc1ccsc1)Cc1csc([N+](=O)[O-])c1 ZINC000459744864 458465896 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EGBDHN C[C@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000440909533 458863434 /nfs/dbraw/zinc/86/34/34/458863434.db2.gz GDMXSTHHYIMXLQ-JSGCOSHPSA-N 0 3 345.443 3.247 20 5 EGBDHN CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000457114181 458872246 /nfs/dbraw/zinc/87/22/46/458872246.db2.gz KIYFZCRFCAJXFQ-OAHLLOKOSA-N 0 3 347.459 3.447 20 5 EGBDHN CCCCN1CCCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518796772 458894544 /nfs/dbraw/zinc/89/45/44/458894544.db2.gz ZCUJAVGJQFFCRM-HNNXBMFYSA-N 0 3 337.395 3.118 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](c2nc[nH]n2)C2CCCCC2)cc1 ZINC000589945761 459054767 /nfs/dbraw/zinc/05/47/67/459054767.db2.gz SBIHFTCQQKLLEG-MRXNPFEDSA-N 0 3 345.403 3.003 20 5 EGBDHN O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](c2nnc[n-]2)C2CCCCC2)cc1 ZINC000589945761 459054772 /nfs/dbraw/zinc/05/47/72/459054772.db2.gz SBIHFTCQQKLLEG-MRXNPFEDSA-N 0 3 345.403 3.003 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](c2nnc[nH]2)C2CCCCC2)cc1 ZINC000589945761 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EGBDHN CC(C)C[C@@H]1CCCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000129591780 1293628312 /nfs/dbraw/zinc/62/83/12/1293628312.db2.gz GLTCKIBGASERTF-HNNXBMFYSA-N 0 3 329.404 3.321 20 5 EGBDHN CC(C)C[C@@H]1CCCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129590359 1293628411 /nfs/dbraw/zinc/62/84/11/1293628411.db2.gz MKWJDNBOZLSPMH-INIZCTEOSA-N 0 3 329.404 3.321 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[C@H](O)c1ccco1 ZINC000130565465 1293661061 /nfs/dbraw/zinc/66/10/61/1293661061.db2.gz VKPMFRLJAFGSTP-WFASDCNBSA-N 0 3 334.372 3.188 20 5 EGBDHN Cc1ccccc1OCCCN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136980747 1293824862 /nfs/dbraw/zinc/82/48/62/1293824862.db2.gz MIDSHZWUHGKRMI-SFHVURJKSA-N 0 3 344.411 3.338 20 5 EGBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1CCCC1 ZINC000152673277 1293980226 /nfs/dbraw/zinc/98/02/26/1293980226.db2.gz IANYYIRZCNAVRI-UHFFFAOYSA-N 0 3 339.823 3.195 20 5 EGBDHN O=[N+]([O-])c1cn(CN2CCC[C@@H]2C2CCCC2)nc1-c1ccncc1 ZINC000172897048 1294448181 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NC(=O)C[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000754506531 1300155931 /nfs/dbraw/zinc/15/59/31/1300155931.db2.gz VXQPYEIEIFDERM-AWEZNQCLSA-N 0 3 339.823 3.162 20 5 EGBDHN C[C@H]1CN(Cc2ccccc2)CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882424107 1301959035 /nfs/dbraw/zinc/95/90/35/1301959035.db2.gz NEWXNXIRONQDAN-AWEZNQCLSA-N 0 3 344.390 3.087 20 5 EGBDHN Cc1nn(CN(C)C2Cc3ccccc3C2)c2ccc([N+](=O)[O-])cc12 ZINC000764915728 1302165883 /nfs/dbraw/zinc/16/58/83/1302165883.db2.gz YKEQQFSUJICQLI-UHFFFAOYSA-N 0 3 336.395 3.310 20 5 EGBDHN Cc1c(NC(=O)NC[C@@H]2CCCCN2C2CC2)cccc1[N+](=O)[O-] ZINC000765645563 1302295868 /nfs/dbraw/zinc/29/58/68/1302295868.db2.gz HSOGBJWZYDZAJH-AWEZNQCLSA-N 0 3 332.404 3.042 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC(OC3CCCC3)CC2)cc1 ZINC000776583084 1304174916 /nfs/dbraw/zinc/17/49/16/1304174916.db2.gz ZHEYXHASQMWENT-GOSISDBHSA-N 0 3 334.416 3.052 20 5 EGBDHN CCC[C@]1(COC)CCCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894077921 1306205477 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EGBDHN Cc1cc(Cl)nc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000800492138 1310768430 /nfs/dbraw/zinc/76/84/30/1310768430.db2.gz CIFVMDYBACSBFQ-KGLIPLIRSA-N 0 3 349.822 3.422 20 5 EGBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000806146556 1317464907 /nfs/dbraw/zinc/46/49/07/1317464907.db2.gz BYYOSMCYJOUKLN-SKDRFNHKSA-N 0 3 338.713 3.448 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](NCC[C@H](O)C2CC2)c2ccccc2)c1 ZINC000903407038 1317697601 /nfs/dbraw/zinc/69/76/01/1317697601.db2.gz MAHQZMHWKHDRAK-OALUTQOASA-N 0 3 326.396 3.435 20 5 EGBDHN CC(COC(=O)c1ccn(-c2ccc(Cl)c(Cl)c2)n1)[N+](=O)[O-] ZINC000813102334 1318499344 /nfs/dbraw/zinc/49/93/44/1318499344.db2.gz PUQLQTBOVSFTOD-MRVPVSSYSA-N 0 3 344.154 3.001 20 5 EGBDHN CC(COC(=O)c1cc(-c2ccco2)nc2ccccc21)[N+](=O)[O-] ZINC000813105697 1318501024 /nfs/dbraw/zinc/50/10/24/1318501024.db2.gz RYNQKGCRILKVMO-NSHDSACASA-N 0 3 326.308 3.317 20 5 EGBDHN CC(COC(=O)c1ccccc1C(=O)c1ccc(F)c(F)c1)[N+](=O)[O-] ZINC000813113507 1318502069 /nfs/dbraw/zinc/50/20/69/1318502069.db2.gz REDUUWZHGRRART-JTQLQIEISA-N 0 3 349.289 3.018 20 5 EGBDHN CC(COC(=O)c1cc(-c2ccncc2)nc2ccccc21)[N+](=O)[O-] ZINC000813115396 1318502377 /nfs/dbraw/zinc/50/23/77/1318502377.db2.gz QVTNUJLINZUVOY-LBPRGKRZSA-N 0 3 337.335 3.119 20 5 EGBDHN Cc1sccc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001022048369 1318779471 /nfs/dbraw/zinc/77/94/71/1318779471.db2.gz QCTGWMHVXSGWKC-OKILXGFUSA-N 0 3 345.424 3.015 20 5 EGBDHN C[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000930226372 1328816454 /nfs/dbraw/zinc/81/64/54/1328816454.db2.gz UDAWZTWHHIYTSK-SNVBAGLBSA-N 0 3 343.221 3.262 20 5 EGBDHN COc1ccc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000819172626 1319656901 /nfs/dbraw/zinc/65/69/01/1319656901.db2.gz DBDNXBPEZDLBAV-HNNXBMFYSA-N 0 3 336.775 3.080 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(CC[C@H]3CC3(Cl)Cl)CC2)n1 ZINC000822977519 1320142930 /nfs/dbraw/zinc/14/29/30/1320142930.db2.gz VKEKVCBISLCHIE-JTQLQIEISA-N 0 3 333.219 3.012 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCCCC2)cc1Cl ZINC000836443414 1320488532 /nfs/dbraw/zinc/48/85/32/1320488532.db2.gz GSCOBFJUWSUABN-LBPRGKRZSA-N 0 3 339.823 3.161 20 5 EGBDHN CC(C)Oc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1Br ZINC000845575270 1321719274 /nfs/dbraw/zinc/71/92/74/1321719274.db2.gz GQDPPMAZUQFZBE-VIFPVBQESA-N 0 3 346.177 3.058 20 5 EGBDHN CC(C)c1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C ZINC000845872952 1321747319 /nfs/dbraw/zinc/74/73/19/1321747319.db2.gz AXLOTRVKXSMSGL-ZBEGNZNMSA-N 0 3 349.362 3.246 20 5 EGBDHN CC([C@H](OC(=O)COCC1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845876308 1321748999 /nfs/dbraw/zinc/74/89/99/1321748999.db2.gz BYOXAXSDOSNTEC-PXAZEXFGSA-N 0 3 339.363 3.282 20 5 EGBDHN CC(C)Cn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845878847 1321749516 /nfs/dbraw/zinc/74/95/16/1321749516.db2.gz SYOALJPHODDLHQ-WBMJQRKESA-N 0 3 349.362 3.242 20 5 EGBDHN CC([C@H](OC(=O)/C=C/C1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877358 1321749561 /nfs/dbraw/zinc/74/95/61/1321749561.db2.gz RFPSIUAHRRWPDK-OPWVJEHFSA-N 0 3 337.347 3.058 20 5 EGBDHN CC([C@@H](OC(=O)c1ocnc1C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845884034 1321750979 /nfs/dbraw/zinc/75/09/79/1321750979.db2.gz WNLDOCFXFFDPTG-YMTOWFKASA-N 0 3 334.303 3.254 20 5 EGBDHN CC(COC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1)[N+](=O)[O-] ZINC000847714142 1321896249 /nfs/dbraw/zinc/89/62/49/1321896249.db2.gz LILGXBGMDWNUPF-JTQLQIEISA-N 0 3 331.290 3.336 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H]1COC2(CCCCC2)O1 ZINC000848537843 1321971667 /nfs/dbraw/zinc/97/16/67/1321971667.db2.gz OQKDLJIVWVELEJ-XJKSGUPXSA-N 0 3 332.400 3.248 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)c1cccc(C)c1 ZINC000850445873 1322250722 /nfs/dbraw/zinc/25/07/22/1322250722.db2.gz JQKJMIJITCGHSN-CXAGYDPISA-N 0 3 330.384 3.296 20 5 EGBDHN Cc1cc(NC2CCN(C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])s1 ZINC000853160205 1325055144 /nfs/dbraw/zinc/05/51/44/1325055144.db2.gz NBKQDGLQFKFZLW-ZDUSSCGKSA-N 0 3 325.434 3.020 20 5 EGBDHN O=c1[n-]ccc(NC2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000853236875 1325068539 /nfs/dbraw/zinc/06/85/39/1325068539.db2.gz JOSZAIPUAJCCNM-UHFFFAOYSA-N 0 3 334.420 3.152 20 5 EGBDHN CC(=O)N[C@H](c1ccccc1F)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000925307926 1325120145 /nfs/dbraw/zinc/12/01/45/1325120145.db2.gz OWQVLLMGJPWLDK-SGTLLEGYSA-N 0 3 345.374 3.089 20 5 EGBDHN C[C@@H](CCNCc1ccc([N+](=O)[O-])cc1F)NC(=O)OC(C)(C)C ZINC000856813026 1325530375 /nfs/dbraw/zinc/53/03/75/1325530375.db2.gz HPMXYLCMFCVQHU-NSHDSACASA-N 0 3 341.383 3.127 20 5 EGBDHN CN(C)CCN(C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000932693555 1329833929 /nfs/dbraw/zinc/83/39/29/1329833929.db2.gz SVPWCNIXMOBUTO-MSOLQXFVSA-N 0 3 345.443 3.031 20 5 EGBDHN CC1(C)CC(C(=O)NC[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)C1 ZINC001086358107 1359076167 /nfs/dbraw/zinc/07/61/67/1359076167.db2.gz QHNLRHXCLWGRLV-SAZUREKKSA-N 0 3 345.443 3.015 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1OC1CCN(Cc2ccccc2)CC1 ZINC001226760490 1375326788 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NCc1ccc2c(n1)N(c1nccc3cc([N+](=O)[O-])ccc31)CCC2 ZINC001158655647 1381338585 /nfs/dbraw/zinc/33/85/85/1381338585.db2.gz IZDVCBHBEGCUHD-UHFFFAOYSA-N 0 3 335.367 3.081 20 5 EGBDHN COc1nc(NCCP(C(C)C)C(C)C)nc(OC)c1[N+](=O)[O-] ZINC001162357598 1382740081 /nfs/dbraw/zinc/74/00/81/1382740081.db2.gz CAHYHAWVIUVGMV-UHFFFAOYSA-N 0 3 344.352 3.113 20 5 EGBDHN O=[N+]([O-])c1cccc2c(N[C@H]3CNCc4ccsc43)ccnc21 ZINC001163229756 1382999932 /nfs/dbraw/zinc/99/99/32/1382999932.db2.gz KYUWRNHAOBEUNW-ZDUSSCGKSA-N 0 3 326.381 3.461 20 5 EGBDHN CCN1CCC(N(C)C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1 ZINC001165067677 1383221237 /nfs/dbraw/zinc/22/12/37/1383221237.db2.gz HEDBGDOMCLVJNK-UHFFFAOYSA-N 0 3 348.781 3.109 20 5 EGBDHN O=[N+]([O-])c1c[nH]c2nc(NCC3CN(Cc4ccccc4)C3)ccc12 ZINC001165427119 1383293614 /nfs/dbraw/zinc/29/36/14/1383293614.db2.gz JPAMVMCEGNUTIO-UHFFFAOYSA-N 0 3 337.383 3.015 20 5 EGBDHN O=C(CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001168988896 1384079900 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20 5 EGBDHN Cc1ccsc1C(=O)N(C)CCCNCc1ccccc1[N+](=O)[O-] ZINC001754355007 1440591411 /nfs/dbraw/zinc/59/14/11/1440591411.db2.gz SFSDJJXSWHUZSH-UHFFFAOYSA-N 0 3 347.440 3.217 20 5 EGBDHN CC/C=C(\C)C(=O)NCC1(NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC001754977957 1440720677 /nfs/dbraw/zinc/72/06/77/1440720677.db2.gz NUBOYNNJNYGNQG-MKMNVTDBSA-N 0 3 331.416 3.080 20 5 EGBDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000342799632 283248781 /nfs/dbraw/zinc/24/87/81/283248781.db2.gz XJRASTRNIMRMEU-UHFFFAOYSA-N 0 3 333.432 3.241 20 5 EGBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000187205973 236146153 /nfs/dbraw/zinc/14/61/53/236146153.db2.gz VJKPXKMAIDSWMJ-SUMWQHHRSA-N 0 3 327.384 3.016 20 5 EGBDHN COc1cc(C[NH2+]C2CC(c3ccccc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000105492428 204147683 /nfs/dbraw/zinc/14/76/83/204147683.db2.gz RHUWUZXLQHPLQC-UHFFFAOYSA-N 0 3 328.368 3.345 20 5 EGBDHN O=C(CCCNCc1csc([N+](=O)[O-])c1)N1Cc2ccccc2C1 ZINC000111405606 204356133 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EGBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345680591 164241358 /nfs/dbraw/zinc/24/13/58/164241358.db2.gz FQCYWAHXMOEACX-AHIWAGSCSA-N 0 3 349.456 3.042 20 5 EGBDHN CCN(CCN1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000346300349 164365477 /nfs/dbraw/zinc/36/54/77/164365477.db2.gz PUMRLDGSNGTQSO-UHFFFAOYSA-N 0 3 337.395 3.072 20 5 EGBDHN CCS[C@H]1CCC[C@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348477874 164751227 /nfs/dbraw/zinc/75/12/27/164751227.db2.gz KQUYLBACNAPRMR-OCCSQVGLSA-N 0 3 337.445 3.106 20 5 EGBDHN CCC(CC)(CC)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000350325921 165031277 /nfs/dbraw/zinc/03/12/77/165031277.db2.gz YRNQMQQHLOXEQT-UHFFFAOYSA-N 0 3 342.461 3.175 20 5 EGBDHN CCN(CC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000351333506 165098131 /nfs/dbraw/zinc/09/81/31/165098131.db2.gz CTRQSVSBDALPPK-UHFFFAOYSA-N 0 3 334.157 3.041 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H](CO)CC2CCC2)o1 ZINC000355537339 166235816 /nfs/dbraw/zinc/23/58/16/166235816.db2.gz 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C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)C1CCOCC1 ZINC000602571727 460002306 /nfs/dbraw/zinc/00/23/06/460002306.db2.gz XDWRLVPETUSDFW-MRVPVSSYSA-N 0 3 349.250 3.324 20 5 EGBDHN C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)C1CCOCC1 ZINC000602571733 460002486 /nfs/dbraw/zinc/00/24/86/460002486.db2.gz XDWRLVPETUSDFW-QMMMGPOBSA-N 0 3 349.250 3.324 20 5 EGBDHN C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000609892015 460036025 /nfs/dbraw/zinc/03/60/25/460036025.db2.gz AJEHMFWMDGXIBE-UTUOFQBUSA-N 0 3 326.828 3.422 20 5 EGBDHN CN1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC12CCCCC2 ZINC000593997961 460047535 /nfs/dbraw/zinc/04/75/35/460047535.db2.gz GUIHFRMFJSKJIX-UHFFFAOYSA-N 0 3 347.459 3.314 20 5 EGBDHN C[C@@H]1CSC[C@@H]1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602664178 460052109 /nfs/dbraw/zinc/05/21/09/460052109.db2.gz UEOOFKYSCMVIIL-MUWHJKNJSA-N 0 3 337.264 3.260 20 5 EGBDHN O=[N+]([O-])c1sc(CNCCC[C@@H]2CCOC2)cc1Br ZINC000602682892 460063195 /nfs/dbraw/zinc/06/31/95/460063195.db2.gz 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Cc1ncc([C@H](C)N[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000601298350 460779810 /nfs/dbraw/zinc/77/98/10/460779810.db2.gz MWFASDHKVNOPOU-MNOVXSKESA-N 0 3 348.428 3.428 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cccc(CN(C)C)c1 ZINC000601935291 460951178 /nfs/dbraw/zinc/95/11/78/460951178.db2.gz RKURFXUVGPUURU-UHFFFAOYSA-N 0 3 342.399 3.015 20 5 EGBDHN CC1(C)CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000191300184 528970561 /nfs/dbraw/zinc/97/05/61/528970561.db2.gz LQPRBQCVMHQCAP-ZDUSSCGKSA-N 0 3 325.796 3.355 20 5 EGBDHN CC1(C)CCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000191853214 528993887 /nfs/dbraw/zinc/99/38/87/528993887.db2.gz BHEKGRDVDMGAEJ-CYBMUJFWSA-N 0 3 325.796 3.355 20 5 EGBDHN COc1ccc(-c2ccc(CN3CCCO[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000353453122 536896065 /nfs/dbraw/zinc/89/60/65/536896065.db2.gz CZYSZMPZIFMJBK-CYBMUJFWSA-N 0 3 346.383 3.474 20 5 EGBDHN O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1CCCCN1C1CCCC1 ZINC000585681797 574672853 /nfs/dbraw/zinc/67/28/53/574672853.db2.gz FDVHNMXUUSTBOJ-GOSISDBHSA-N 0 3 345.443 3.051 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccccc2OC(F)F)cc1 ZINC000731678380 575199286 /nfs/dbraw/zinc/19/92/86/575199286.db2.gz LGUBYZJGMKSRTR-CQSZACIVSA-N 0 3 338.310 3.019 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccc(OC(F)F)cc2)cc1 ZINC000731678943 575199693 /nfs/dbraw/zinc/19/96/93/575199693.db2.gz SZQYWLNACXVVRN-OAHLLOKOSA-N 0 3 338.310 3.019 20 5 EGBDHN C[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000732049323 575233870 /nfs/dbraw/zinc/23/38/70/575233870.db2.gz LOJSKTDPZHIINT-AWEZNQCLSA-N 0 3 339.399 3.175 20 5 EGBDHN Cc1cc(NC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352881682 576111792 /nfs/dbraw/zinc/11/17/92/576111792.db2.gz DSTCYROAZWVZEC-JSGCOSHPSA-N 0 3 334.420 3.145 20 5 EGBDHN Cc1ccc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])c(CN(C)C)c1 ZINC000072841203 1292294200 /nfs/dbraw/zinc/29/42/00/1292294200.db2.gz PLVHSQRRRQRMHM-UHFFFAOYSA-N 0 3 331.347 3.356 20 5 EGBDHN CN(C)CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000126149120 1293527083 /nfs/dbraw/zinc/52/70/83/1293527083.db2.gz LIZCVNRARLRGTR-UHFFFAOYSA-N 0 3 339.823 3.195 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)[C@H](CO)SC ZINC000872038459 1296689907 /nfs/dbraw/zinc/68/99/07/1296689907.db2.gz NUZMVSNHMUREPW-RBZYPMLTSA-N 0 3 330.475 3.080 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN(C)CC(F)F ZINC000872090861 1296728675 /nfs/dbraw/zinc/72/86/75/1296728675.db2.gz UHEIRDCAYJHKKZ-SNVBAGLBSA-N 0 3 333.404 3.164 20 5 EGBDHN CCNC(=O)c1ccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873011612 1297221658 /nfs/dbraw/zinc/22/16/58/1297221658.db2.gz ASBACMVYCKQEEO-UHFFFAOYSA-N 0 3 341.411 3.251 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(C(=O)NCC(C)C)CC1 ZINC000876560217 1298828344 /nfs/dbraw/zinc/82/83/44/1298828344.db2.gz ILHZKGNFAMETEA-UHFFFAOYSA-N 0 3 347.459 3.196 20 5 EGBDHN Cc1noc(C2(C)CCN(Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)n1 ZINC000877190161 1299201358 /nfs/dbraw/zinc/20/13/58/1299201358.db2.gz XPNRKGHQURXZDT-UHFFFAOYSA-N 0 3 344.415 3.457 20 5 EGBDHN Cc1ccc([C@H](C)NCC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000754666088 1300188023 /nfs/dbraw/zinc/18/80/23/1300188023.db2.gz ZKUNRYSWKHARFN-LBPRGKRZSA-N 0 3 345.424 3.205 20 5 EGBDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000754870235 1300235252 /nfs/dbraw/zinc/23/52/52/1300235252.db2.gz ACWAUWWOKYVEFE-UHFFFAOYSA-N 0 3 338.379 3.430 20 5 EGBDHN Cc1c([C@H](C)NC[C@@H](O)COc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000765286072 1302238337 /nfs/dbraw/zinc/23/83/37/1302238337.db2.gz DVJPPXATBIWKCC-DZGCQCFKSA-N 0 3 348.374 3.133 20 5 EGBDHN CC1(C)CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000776593492 1304177579 /nfs/dbraw/zinc/17/75/79/1304177579.db2.gz KGNYTDCOANWVJK-GOSISDBHSA-N 0 3 326.396 3.422 20 5 EGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777729153 1304341098 /nfs/dbraw/zinc/34/10/98/1304341098.db2.gz FWYFPZAHGHNJNG-SCLBCKFNSA-N 0 3 330.359 3.388 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000781893983 1304887555 /nfs/dbraw/zinc/88/75/55/1304887555.db2.gz BAZHCEBKKYJOSW-DLBZAZTESA-N 0 3 346.358 3.271 20 5 EGBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)CCc2ccccc2)cc1Cl ZINC000783666664 1305125000 /nfs/dbraw/zinc/12/50/00/1305125000.db2.gz JEZPDETVGFXOIE-HNNXBMFYSA-N 0 3 334.803 3.332 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H]3C[C@]3(CO)C2)s1 ZINC000783733429 1305135913 /nfs/dbraw/zinc/13/59/13/1305135913.db2.gz HQAARZCULAILOI-YVEFUNNKSA-N 0 3 330.409 3.138 20 5 EGBDHN CC(=O)NC1CCC(N(C)Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000784546966 1305257118 /nfs/dbraw/zinc/25/71/18/1305257118.db2.gz ZJIJSBURVQRIFW-UHFFFAOYSA-N 0 3 339.823 3.127 20 5 EGBDHN COc1c([O-])ccc(C[NH2+][C@@H]2CCC[C@H](SC)C2)c1[N+](=O)[O-] ZINC000892951077 1305624070 /nfs/dbraw/zinc/62/40/70/1305624070.db2.gz RJFOAHFZVRNUIS-NEPJUHHUSA-N 0 3 326.418 3.073 20 5 EGBDHN O=C(OCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1C1CCCC1 ZINC000786890948 1305649961 /nfs/dbraw/zinc/64/99/61/1305649961.db2.gz MURUJBXJYQFYTF-KRWDZBQOSA-N 0 3 332.400 3.088 20 5 EGBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)Cc2ccc(C)s2)c1[N+](=O)[O-] ZINC000893005409 1305651162 /nfs/dbraw/zinc/65/11/62/1305651162.db2.gz UFDCOXHLLHYTLS-JTQLQIEISA-N 0 3 336.413 3.400 20 5 EGBDHN CC1(C)[C@@H](C(F)(F)F)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787322720 1305733058 /nfs/dbraw/zinc/73/30/58/1305733058.db2.gz RYMUNXOHMZOADX-OLZOCXBDSA-N 0 3 332.322 3.291 20 5 EGBDHN COc1c([O-])ccc(C[NH2+][C@H](C)CCCc2cccnc2)c1[N+](=O)[O-] ZINC000894846487 1309097773 /nfs/dbraw/zinc/09/77/73/1309097773.db2.gz XYFIPNHCDQERTB-CYBMUJFWSA-N 0 3 345.399 3.205 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](C)NC(=O)OC(C)(C)C ZINC000794824647 1309601605 /nfs/dbraw/zinc/60/16/05/1309601605.db2.gz LDFBVSDCLHDLII-CHWSQXEVSA-N 0 3 337.420 3.467 20 5 EGBDHN O=[N+]([O-])c1ccc(CNCCOC2CCSCC2)cc1Cl ZINC000898438543 1310734930 /nfs/dbraw/zinc/73/49/30/1310734930.db2.gz BATCNQDJLJJWCR-UHFFFAOYSA-N 0 3 330.837 3.250 20 5 EGBDHN CC(COC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813103549 1318499109 /nfs/dbraw/zinc/49/91/09/1318499109.db2.gz QGWPZGRSQLLWKE-NSHDSACASA-N 0 3 345.311 3.160 20 5 EGBDHN CC(COC(=O)C(C)(C)c1csc(-c2cccs2)n1)[N+](=O)[O-] ZINC000813105827 1318501235 /nfs/dbraw/zinc/50/12/35/1318501235.db2.gz VFCIPELKWSMVFX-SECBINFHSA-N 0 3 340.426 3.358 20 5 EGBDHN CC(COC(=O)c1csc(-c2ccc(Cl)cc2)n1)[N+](=O)[O-] ZINC000813113068 1318501951 /nfs/dbraw/zinc/50/19/51/1318501951.db2.gz WYLVWDYVWFFINZ-MRVPVSSYSA-N 0 3 326.761 3.286 20 5 EGBDHN CC(C)Oc1ccccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818968067 1319594743 /nfs/dbraw/zinc/59/47/43/1319594743.db2.gz JYGAEBJAQLTWQM-KRWDZBQOSA-N 0 3 330.384 3.205 20 5 EGBDHN CC(C)N1CCCC[C@@H]1COC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000837565587 1320644181 /nfs/dbraw/zinc/64/41/81/1320644181.db2.gz DQERZNJWLDKVFR-LLVKDONJSA-N 0 3 342.342 3.293 20 5 EGBDHN O=C1N(CN2CC[C@@H]3CCCC[C@@H]32)CCN1c1ccccc1[N+](=O)[O-] ZINC000842619329 1321407933 /nfs/dbraw/zinc/40/79/33/1321407933.db2.gz XQWPEPGUGNWQJJ-GJZGRUSLSA-N 0 3 344.415 3.059 20 5 EGBDHN CC(C)c1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C ZINC000845872948 1321747049 /nfs/dbraw/zinc/74/70/49/1321747049.db2.gz AXLOTRVKXSMSGL-MEDUHNTESA-N 0 3 349.362 3.246 20 5 EGBDHN CC([C@H](OC(=O)CCc1ccccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845873608 1321747990 /nfs/dbraw/zinc/74/79/90/1321747990.db2.gz DIBLSHDBNVVVKY-PXAZEXFGSA-N 0 3 332.331 3.103 20 5 EGBDHN CCCc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n[nH]1 ZINC000845874179 1321748131 /nfs/dbraw/zinc/74/81/31/1321748131.db2.gz YAJNYDAZXZJDBX-ZUZCIYMTSA-N 0 3 335.335 3.065 20 5 EGBDHN CC([C@H](OC(=O)[C@@H]1CCC(=O)[C@H](C)C1)c1ccccc1F)[N+](=O)[O-] ZINC000845874847 1321748559 /nfs/dbraw/zinc/74/85/59/1321748559.db2.gz IYLABKJKHNCVLI-JBBSTSQOSA-N 0 3 337.347 3.081 20 5 EGBDHN Cc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cnn1C(C)C ZINC000845875523 1321748831 /nfs/dbraw/zinc/74/88/31/1321748831.db2.gz LOLHXNVMADXCKG-LRDDRELGSA-N 0 3 349.362 3.475 20 5 EGBDHN CC([C@H](OC(=O)[C@H]1CCC(=O)C[C@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000845877317 1321749411 /nfs/dbraw/zinc/74/94/11/1321749411.db2.gz PAVGLYWYZKTOTI-IZBNFRDHSA-N 0 3 337.347 3.081 20 5 EGBDHN CC([C@@H](OC(=O)[C@H]1COc2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC000845877542 1321749471 /nfs/dbraw/zinc/74/94/71/1321749471.db2.gz SLWRVWGYQHHCTF-HYSWKAIVSA-N 0 3 345.326 3.251 20 5 EGBDHN CCCc1nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])co1 ZINC000845878518 1321749813 /nfs/dbraw/zinc/74/98/13/1321749813.db2.gz HCIWMTQJUYSZHX-BMIGLBTASA-N 0 3 336.319 3.330 20 5 EGBDHN CO[C@@H]1CCC[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845882216 1321750432 /nfs/dbraw/zinc/75/04/32/1321750432.db2.gz NYNDEIKJFPNGFY-IATRGZMQSA-N 0 3 339.363 3.280 20 5 EGBDHN CC([C@H](OC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845884067 1321751170 /nfs/dbraw/zinc/75/11/70/1321751170.db2.gz XBSQFWXCBUAXOI-RMIITELYSA-N 0 3 344.342 3.274 20 5 EGBDHN Cc1nn(C(C)C)cc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000847737446 1321898474 /nfs/dbraw/zinc/89/84/74/1321898474.db2.gz RKKNOHZEEKNFIW-LRDDRELGSA-N 0 3 349.362 3.475 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@](C)(O)c1cccs1 ZINC000850438777 1322249461 /nfs/dbraw/zinc/24/94/61/1322249461.db2.gz ZHWRTWKHIGRYBD-ZBEGNZNMSA-N 0 3 336.413 3.223 20 5 EGBDHN C[C@H](NC[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000850581496 1322273050 /nfs/dbraw/zinc/27/30/50/1322273050.db2.gz FSGXVLSEWGJIMN-VFZGTOFNSA-N 0 3 340.301 3.396 20 5 EGBDHN CC([C@H](OC(=O)CCCc1cccnc1)c1ccccc1F)[N+](=O)[O-] ZINC000851108026 1322334564 /nfs/dbraw/zinc/33/45/64/1322334564.db2.gz IATRNVVWYMRNQX-ACJLOTCBSA-N 0 3 346.358 3.493 20 5 EGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000855898674 1325427842 /nfs/dbraw/zinc/42/78/42/1325427842.db2.gz SHUHUDAJIBQELB-GFCCVEGCSA-N 0 3 339.823 3.098 20 5 EGBDHN CC(C)(C)OC(=O)NCC[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000932703195 1329835974 /nfs/dbraw/zinc/83/59/74/1329835974.db2.gz LNZYTVAKLFMXAH-OAHLLOKOSA-N 0 3 349.431 3.332 20 5 EGBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1cn2ccsc2n1 ZINC000866241367 1330083996 /nfs/dbraw/zinc/08/39/96/1330083996.db2.gz CJDSXAZKVSTAKP-JTQLQIEISA-N 0 3 334.376 3.164 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)cc(-c2nc([C@H]3CN4CCC3CC4)no2)c1 ZINC001323913605 1387495023 /nfs/dbraw/zinc/49/50/23/1387495023.db2.gz BGGBQSSHNDFNNQ-ZDUSSCGKSA-N 0 3 334.763 3.107 20 5 EGBDHN CCCC(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001115382129 1370420310 /nfs/dbraw/zinc/42/03/10/1370420310.db2.gz VSMAFJJAWZZNRM-UHFFFAOYSA-N 0 3 333.432 3.304 20 5 EGBDHN CC(C)(C(=O)NCCNCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC001129623882 1373403877 /nfs/dbraw/zinc/40/38/77/1373403877.db2.gz DBSVZMISRJPWFG-UHFFFAOYSA-N 0 3 333.432 3.017 20 5 EGBDHN CC1(C)N[C@@H](CO[C@@H](c2ccccc2)c2ccccc2[N+](=O)[O-])CO1 ZINC001217929990 1373512850 /nfs/dbraw/zinc/51/28/50/1373512850.db2.gz MGTKFJUJBSYKIX-YJBOKZPZSA-N 0 3 342.395 3.425 20 5 EGBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1Oc1cncc([N+](=O)[O-])c1 ZINC001227985683 1375498141 /nfs/dbraw/zinc/49/81/41/1375498141.db2.gz XWDQVJIQLRATRR-RDTXWAMCSA-N 0 3 327.384 3.279 20 5 EGBDHN CCCc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001133089479 1375768230 /nfs/dbraw/zinc/76/82/30/1375768230.db2.gz ICKXKJLFSVQLLD-UHFFFAOYSA-N 0 3 341.411 3.067 20 5 EGBDHN CN1CCC[C@@H](Oc2c3ccccc3c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001229421572 1375831033 /nfs/dbraw/zinc/83/10/33/1375831033.db2.gz PLPNWTBKUJJEAK-LLVKDONJSA-N 0 3 331.328 3.129 20 5 EGBDHN O=c1c2ccc([O-])cc2oc2cc(O[C@H]3C[NH+]4CCC3CC4)ccc21 ZINC001229515853 1375849657 /nfs/dbraw/zinc/84/96/57/1375849657.db2.gz IAKSXPVKRPTORP-IBGZPJMESA-N 0 3 337.375 3.125 20 5 EGBDHN Cc1ccc(C(=O)c2ccc([O-])c(O[C@@H](C)C[N+](C)(C)C)c2)cc1 ZINC001229537989 1375852646 /nfs/dbraw/zinc/85/26/46/1375852646.db2.gz OCWUVXHMGXSETB-HNNXBMFYSA-O 0 3 328.432 3.405 20 5 EGBDHN CN(CCCNC(=O)CC1CCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001231378517 1376231547 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COc1cc(C)c([N+](=O)[O-])cc1-n1c2ccccc2nc1[C@H](C)N ZINC001162765760 1382865616 /nfs/dbraw/zinc/86/56/16/1382865616.db2.gz JFEUDIDBEYNOPI-NSHDSACASA-N 0 3 326.356 3.270 20 5 EGBDHN COc1cc(-n2c3ccccc3nc2[C@@H](C)N)cc([N+](=O)[O-])c1C ZINC001162777535 1382869483 /nfs/dbraw/zinc/86/94/83/1382869483.db2.gz TXRPYUUUPCWEIM-LLVKDONJSA-N 0 3 326.356 3.270 20 5 EGBDHN O=C(NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1)C1=CCCC1 ZINC001164075871 1383153299 /nfs/dbraw/zinc/15/32/99/1383153299.db2.gz OFSXYDRPOCIGCN-UHFFFAOYSA-N 0 3 343.427 3.081 20 5 EGBDHN COc1c([N+](=O)[O-])cc(Cl)c(C)c1-n1nc(CN)c2ccccc21 ZINC001167698383 1383714744 /nfs/dbraw/zinc/71/47/44/1383714744.db2.gz ULVFSOKXUQNBJL-UHFFFAOYSA-N 0 3 346.774 3.363 20 5 EGBDHN O=C(CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001168983462 1384079513 /nfs/dbraw/zinc/07/95/13/1384079513.db2.gz KHCRKZJCWQISQT-GXSJLCMTSA-N 0 3 331.199 3.211 20 5 EGBDHN NCc1ccc2c(n1)N(c1nccc3c1cccc3[N+](=O)[O-])CCC2 ZINC001169584372 1384162094 /nfs/dbraw/zinc/16/20/94/1384162094.db2.gz LPRVXINSZDRMTB-UHFFFAOYSA-N 0 3 335.367 3.081 20 5 EGBDHN COc1ccc(C[C@@H](C)NCc2c(F)cccc2OC)c([N+](=O)[O-])c1 ZINC001170310514 1384287910 /nfs/dbraw/zinc/28/79/10/1384287910.db2.gz XOUAIJGQQHMUOZ-GFCCVEGCSA-N 0 3 348.374 3.472 20 5 EGBDHN COc1ccc(C[C@H](C)N2CC[C@@H]3CCCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170336566 1384294651 /nfs/dbraw/zinc/29/46/51/1384294651.db2.gz ZMCQCUTUEHHWLU-DEYYWGMASA-N 0 3 334.416 3.035 20 5 EGBDHN O=[N+]([O-])c1cc(F)c(N2CCC(N3CCC[C@@H]3CF)CC2)c(F)c1 ZINC001173016175 1384897971 /nfs/dbraw/zinc/89/79/71/1384897971.db2.gz IVWUYOWNSSIZFV-GFCCVEGCSA-N 0 3 343.349 3.276 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cn(CC2CCC2)cn1 ZINC001173224778 1384939354 /nfs/dbraw/zinc/93/93/54/1384939354.db2.gz OWAOSPZQOFTLIB-CQSZACIVSA-N 0 3 328.416 3.312 20 5 EGBDHN CC(C(=O)N(C)CCCN(C)Cc1cccc([N+](=O)[O-])c1)=C1CCC1 ZINC001755036572 1440734803 /nfs/dbraw/zinc/73/48/03/1440734803.db2.gz GUAJIQMFPNQBSC-UHFFFAOYSA-N 0 3 345.443 3.376 20 5 EGBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485417186 719254591 /nfs/dbraw/zinc/25/45/91/719254591.db2.gz PRXNVKDCVUUWLO-QWHCGFSZSA-N 0 3 344.390 3.325 20 5 EGBDHN CC(C)C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001574168083 950504404 /nfs/dbraw/zinc/50/44/04/950504404.db2.gz OAIZPIGWNMASPJ-OAHLLOKOSA-N 0 3 344.419 3.176 20 5 EGBDHN CC(C)C[C@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001574168083 950504421 /nfs/dbraw/zinc/50/44/21/950504421.db2.gz OAIZPIGWNMASPJ-OAHLLOKOSA-N 0 3 344.419 3.176 20 5 EGBDHN CC(C)C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001574168083 950504439 /nfs/dbraw/zinc/50/44/39/950504439.db2.gz OAIZPIGWNMASPJ-OAHLLOKOSA-N 0 3 344.419 3.176 20 5 EGBDHN CC(C)C[C@H]1CCCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001574168083 950504448 /nfs/dbraw/zinc/50/44/48/950504448.db2.gz OAIZPIGWNMASPJ-OAHLLOKOSA-N 0 3 344.419 3.176 20 5 EGBDHN C[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](N)c1ccccc1 ZINC000246789781 243315020 /nfs/dbraw/zinc/31/50/20/243315020.db2.gz XPBFZXHHURJIQB-IIYDPXPESA-N 0 3 327.384 3.108 20 5 EGBDHN O=C(CCCNCc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 ZINC000111409731 220153263 /nfs/dbraw/zinc/15/32/63/220153263.db2.gz PHBYBERAFXDFDC-UHFFFAOYSA-N 0 3 339.395 3.054 20 5 EGBDHN CO[C@H]1CCCC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000266136083 248122509 /nfs/dbraw/zinc/12/25/09/248122509.db2.gz FLXKJJMNWPSEEE-OCCSQVGLSA-N 0 3 343.221 3.405 20 5 EGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H]2CCC[C@@H]2C1 ZINC000153244510 224078701 /nfs/dbraw/zinc/07/87/01/224078701.db2.gz UIDZSPWBKOEEPF-IACUBPJLSA-N 0 3 328.372 3.438 20 5 EGBDHN Cc1nc2c(s1)[C@H](N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000154536863 224268423 /nfs/dbraw/zinc/26/84/23/224268423.db2.gz QYSYWMRKZZADGF-CVEARBPZSA-N 0 3 347.440 3.403 20 5 EGBDHN COc1ccc([C@@H](C)NCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000341214845 141138921 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CC[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000341226921 155213455 /nfs/dbraw/zinc/21/34/55/155213455.db2.gz IBDHSGYIRCRQSX-MSOLQXFVSA-N 0 3 339.395 3.441 20 5 EGBDHN C[S@@](=O)CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000116918295 152081581 /nfs/dbraw/zinc/08/15/81/152081581.db2.gz WARCRXFZRQXUOQ-QFIPXVFZSA-N 0 3 338.454 3.182 20 5 EGBDHN CC1(C)CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000303891749 154059495 /nfs/dbraw/zinc/05/94/95/154059495.db2.gz KJSJGCNXORBDSR-MRXNPFEDSA-N 0 3 331.416 3.212 20 5 EGBDHN COc1ccc(CN[C@@H]2CCCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000337305063 154272887 /nfs/dbraw/zinc/27/28/87/154272887.db2.gz QZRZINHFZTZOJG-DGCLKSJQSA-N 0 3 330.331 3.243 20 5 EGBDHN COc1cc(CN[C@H]2CCCC[C@@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000337398616 154333152 /nfs/dbraw/zinc/33/31/52/154333152.db2.gz JOUHYZMMBSYMSC-AAEUAGOBSA-N 0 3 330.331 3.243 20 5 EGBDHN COc1ccc(CN(CCN(C)C)Cc2ccc(C)o2)cc1[N+](=O)[O-] ZINC000349076867 156344524 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EGBDHN CCN1CCN(c2cccc(NCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000190967814 455416837 /nfs/dbraw/zinc/41/68/37/455416837.db2.gz HWGCRBFEAQZIGB-UHFFFAOYSA-N 0 3 340.427 3.349 20 5 EGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC(C)CC1 ZINC000184693450 455429093 /nfs/dbraw/zinc/42/90/93/455429093.db2.gz TWDHVEZCHVCBFW-KRWDZBQOSA-N 0 3 347.459 3.012 20 5 EGBDHN Cc1cccc(C[C@H](CO)N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000191603022 455502397 /nfs/dbraw/zinc/50/23/97/455502397.db2.gz CCSCMEXRDQVASI-NVXWUHKLSA-N 0 3 328.412 3.466 20 5 EGBDHN Cc1ccoc1CN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000292388644 455647960 /nfs/dbraw/zinc/64/79/60/455647960.db2.gz SBQBZFNIRPBMTG-UHFFFAOYSA-N 0 3 331.372 3.265 20 5 EGBDHN CCc1nnc([C@H](C)[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000271471598 455649883 /nfs/dbraw/zinc/64/98/83/455649883.db2.gz IKISLYJNKYGYNK-GUTXKFCHSA-N 0 3 343.431 3.337 20 5 EGBDHN CCc1nnc([C@H](C)N[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000271471598 455649885 /nfs/dbraw/zinc/64/98/85/455649885.db2.gz IKISLYJNKYGYNK-GUTXKFCHSA-N 0 3 343.431 3.337 20 5 EGBDHN COc1ccc([C@@H](CN(C)C)NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000284209133 455651564 /nfs/dbraw/zinc/65/15/64/455651564.db2.gz ZIBWQSJYAYLVKF-GOSISDBHSA-N 0 3 343.427 3.304 20 5 EGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000277783223 455664980 /nfs/dbraw/zinc/66/49/80/455664980.db2.gz FHETWCNKRUWXEG-CYBMUJFWSA-N 0 3 349.456 3.063 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)c1ccccc1F)CCC2 ZINC000192711819 455676383 /nfs/dbraw/zinc/67/63/83/455676383.db2.gz MAMOEWVSDQNUAG-ZWKOTPCHSA-N 0 3 330.359 3.435 20 5 EGBDHN COc1ccc([C@H](CNc2ccccc2[N+](=O)[O-])N(C)C)cc1OC ZINC000192905875 455715860 /nfs/dbraw/zinc/71/58/60/455715860.db2.gz LLJKXJKNESDAIC-INIZCTEOSA-N 0 3 345.399 3.327 20 5 EGBDHN CN1CC[C@@]2(CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)C1 ZINC000292676930 455729208 /nfs/dbraw/zinc/72/92/08/455729208.db2.gz ZZNKSMPBDJIZSQ-LJQANCHMSA-N 0 3 345.443 3.060 20 5 EGBDHN Cc1c(NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000292716622 455739545 /nfs/dbraw/zinc/73/95/45/455739545.db2.gz HNOMTOVOEQLZQQ-CYBMUJFWSA-N 0 3 346.431 3.241 20 5 EGBDHN COc1ccc([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000194352540 455831041 /nfs/dbraw/zinc/83/10/41/455831041.db2.gz DCWJWNCVYWBVHZ-CYBMUJFWSA-N 0 3 346.383 3.342 20 5 EGBDHN CCS[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285697823 455899509 /nfs/dbraw/zinc/89/95/09/455899509.db2.gz COHGFVDZSDWASF-KCPJHIHWSA-N 0 3 337.445 3.186 20 5 EGBDHN Cc1cc(NC(=O)N2CCN(C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000296605135 455986949 /nfs/dbraw/zinc/98/69/49/455986949.db2.gz DUVNUYVXUFKBFU-CYBMUJFWSA-N 0 3 346.431 3.241 20 5 EGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000286179265 455994362 /nfs/dbraw/zinc/99/43/62/455994362.db2.gz AJHZSRIKJDEQLP-MNOVXSKESA-N 0 3 344.337 3.072 20 5 EGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000270915718 456065813 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EGBDHN C[C@@H](CN(C)Cc1ccccc1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000302041451 456274056 /nfs/dbraw/zinc/27/40/56/456274056.db2.gz WNCVNBGKGRXWOJ-LBPRGKRZSA-N 0 3 345.428 3.236 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000302152975 456301082 /nfs/dbraw/zinc/30/10/82/456301082.db2.gz CLHAYQRECCZDNB-WMLDXEAASA-N 0 3 326.400 3.231 20 5 EGBDHN CC[C@@H](C)N[C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccco1 ZINC000343264796 456493013 /nfs/dbraw/zinc/49/30/13/456493013.db2.gz LWCZLQORPOCRAQ-GHMZBOCLSA-N 0 3 349.416 3.438 20 5 EGBDHN CCN(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@H](C)OC ZINC000291076894 456520613 /nfs/dbraw/zinc/52/06/13/456520613.db2.gz MRIBHBFQPUYEOY-JTQLQIEISA-N 0 3 331.210 3.214 20 5 EGBDHN C[S@](=O)Cc1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000353148674 456522891 /nfs/dbraw/zinc/52/28/91/456522891.db2.gz ZJIGNEQTFZEUOU-WUQPGSQJSA-N 0 3 344.436 3.276 20 5 EGBDHN C[S@@](=O)Cc1ccc(CNC/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000353148672 456523012 /nfs/dbraw/zinc/52/30/12/456523012.db2.gz ZJIGNEQTFZEUOU-SRHYXSBFSA-N 0 3 344.436 3.276 20 5 EGBDHN COc1cc(C[NH2+]CC(C)(C)c2ncccc2C)c([N+](=O)[O-])cc1[O-] ZINC000353151187 456523821 /nfs/dbraw/zinc/52/38/21/456523821.db2.gz KHLIVCQHQVUADW-UHFFFAOYSA-N 0 3 345.399 3.080 20 5 EGBDHN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CCN(C)CC1 ZINC000343333825 456537811 /nfs/dbraw/zinc/53/78/11/456537811.db2.gz IKEZOCFKCQSXQO-UHFFFAOYSA-N 0 3 349.456 3.087 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCO[C@H]1c1ccnn1C(C)C ZINC000343399397 456594205 /nfs/dbraw/zinc/59/42/05/456594205.db2.gz VHEDPKWMZZAVNW-FUHWJXTLSA-N 0 3 344.415 3.300 20 5 EGBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000348310914 456613220 /nfs/dbraw/zinc/61/32/20/456613220.db2.gz SZWWVVVEZJGDOH-CABZTGNLSA-N 0 3 338.713 3.448 20 5 EGBDHN CC(=O)Nc1ccccc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282952243 456673038 /nfs/dbraw/zinc/67/30/38/456673038.db2.gz HHBMEEFXNFWPOE-UHFFFAOYSA-N 0 3 327.384 3.228 20 5 EGBDHN CCS[C@H]1CCC[C@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000348467191 456700561 /nfs/dbraw/zinc/70/05/61/456700561.db2.gz HKJNJRITVMTXCA-HIFRSBDPSA-N 0 3 337.445 3.106 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1F ZINC000283311503 456756379 /nfs/dbraw/zinc/75/63/79/456756379.db2.gz ZAOMKWDAQBHOGE-PBHICJAKSA-N 0 3 333.407 3.183 20 5 EGBDHN Cc1c(CN[C@H](C)c2ccccc2-n2ccnn2)cccc1[N+](=O)[O-] ZINC000353689119 456855034 /nfs/dbraw/zinc/85/50/34/456855034.db2.gz PUBDXQPOBMJEGG-CQSZACIVSA-N 0 3 337.383 3.335 20 5 EGBDHN O=[N+]([O-])c1cccc(CN(C[C@H](O)Cc2ccc(F)cc2)C2CC2)c1 ZINC000339019949 456903643 /nfs/dbraw/zinc/90/36/43/456903643.db2.gz CHWNRQPKRURILK-LJQANCHMSA-N 0 3 344.386 3.302 20 5 EGBDHN CCN(C)CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000354022663 457016352 /nfs/dbraw/zinc/01/63/52/457016352.db2.gz RNITXHFNWZCRQQ-UHFFFAOYSA-N 0 3 342.399 3.020 20 5 EGBDHN Cc1nc(N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000346645005 457088497 /nfs/dbraw/zinc/08/84/97/457088497.db2.gz AIGUNQVUDVNLHX-LSDHHAIUSA-N 0 3 340.427 3.397 20 5 EGBDHN Cc1nc(N2CC[C@H](N(C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000362823621 457109824 /nfs/dbraw/zinc/10/98/24/457109824.db2.gz VBSPSCVUKHPPHB-INIZCTEOSA-N 0 3 326.400 3.009 20 5 EGBDHN C[C@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000346782597 457167644 /nfs/dbraw/zinc/16/76/44/457167644.db2.gz HJVRRRQNTVAIIF-VXGBXAGGSA-N 0 3 339.823 3.241 20 5 EGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CCC[C@H](CO)C2)c1 ZINC000342239841 457186081 /nfs/dbraw/zinc/18/60/81/457186081.db2.gz GPKLQJUSTZETBP-RYUDHWBXSA-N 0 3 344.358 3.085 20 5 EGBDHN C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)N1C ZINC000354447444 457228034 /nfs/dbraw/zinc/22/80/34/457228034.db2.gz NUQWTMVRBMIZKU-ZIAGYGMSSA-N 0 3 329.400 3.379 20 5 EGBDHN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)N1C ZINC000354448980 457229227 /nfs/dbraw/zinc/22/92/27/457229227.db2.gz PSAOQSPOIVEMTR-OKILXGFUSA-N 0 3 329.400 3.379 20 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CCOC(=O)N[C@@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000178643817 1294748136 /nfs/dbraw/zinc/74/81/36/1294748136.db2.gz MXJNERSYNMNZSF-UKRRQHHQSA-N 0 3 337.420 3.406 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000872041272 1296690091 /nfs/dbraw/zinc/69/00/91/1296690091.db2.gz GUHCWDVJMXZPMK-SGMGOOAPSA-N 0 3 340.445 3.161 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1([S@@](C)=O)CCC1 ZINC000872067578 1296713954 /nfs/dbraw/zinc/71/39/54/1296713954.db2.gz BIWIVZNKDVYLDK-RKFFSXRUSA-N 0 3 342.486 3.269 20 5 EGBDHN C[C@H]1CC[C@H](C)N1CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000746108231 1298534622 /nfs/dbraw/zinc/53/46/22/1298534622.db2.gz JSZMDRPDXMNLFS-RYUDHWBXSA-N 0 3 339.823 3.079 20 5 EGBDHN Cc1ncc(CCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)s1 ZINC000782960822 1305030921 /nfs/dbraw/zinc/03/09/21/1305030921.db2.gz UJNIZTPFBISDGJ-UHFFFAOYSA-N 0 3 328.397 3.293 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](C)NC(=O)OC(C)(C)C ZINC000794824649 1309601497 /nfs/dbraw/zinc/60/14/97/1309601497.db2.gz LDFBVSDCLHDLII-QWHCGFSZSA-N 0 3 337.420 3.467 20 5 EGBDHN Cc1noc(C[C@H]2CCCN(Cc3c(C)ccc([N+](=O)[O-])c3C)C2)n1 ZINC000897575137 1310387697 /nfs/dbraw/zinc/38/76/97/1310387697.db2.gz QYAPYMRAYPODMP-OAHLLOKOSA-N 0 3 344.415 3.358 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCc2ccccc2OC1 ZINC000801576040 1310970022 /nfs/dbraw/zinc/97/00/22/1310970022.db2.gz PSVVRKQKZPONSQ-HNNXBMFYSA-N 0 3 328.368 3.087 20 5 EGBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)Cc2cccc(F)c2)cc1Cl ZINC000824509801 1320262740 /nfs/dbraw/zinc/26/27/40/1320262740.db2.gz ORZIEJOXHVSIHW-CQSZACIVSA-N 0 3 338.766 3.081 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@](C)(O)c1cccc(F)c1 ZINC000903307491 1317684894 /nfs/dbraw/zinc/68/48/94/1317684894.db2.gz IQPYEVUSWJETKY-KZULUSFZSA-N 0 3 348.374 3.301 20 5 EGBDHN CC(COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)[N+](=O)[O-] ZINC000813110303 1318500177 /nfs/dbraw/zinc/50/01/77/1318500177.db2.gz WVPDCFYBYVWUMX-ZDUSSCGKSA-N 0 3 343.383 3.099 20 5 EGBDHN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110188 1318501246 /nfs/dbraw/zinc/50/12/46/1318501246.db2.gz UNLLNMLFDWTORL-ZETCQYMHSA-N 0 3 342.323 3.219 20 5 EGBDHN COC(=O)Nc1cccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815626245 1319031869 /nfs/dbraw/zinc/03/18/69/1319031869.db2.gz ZHEVLPQAYIYNOU-LLVKDONJSA-N 0 3 344.371 3.206 20 5 EGBDHN CC(C)Oc1ccccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818968068 1319595815 /nfs/dbraw/zinc/59/58/15/1319595815.db2.gz JYGAEBJAQLTWQM-QGZVFWFLSA-N 0 3 330.384 3.205 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(CC[C@@H]3CC3(Cl)Cl)CC2)n1 ZINC000822977522 1320143179 /nfs/dbraw/zinc/14/31/79/1320143179.db2.gz VKEKVCBISLCHIE-SNVBAGLBSA-N 0 3 333.219 3.012 20 5 EGBDHN CC([C@H](OC(=O)c1cc(C(C)(C)C)[nH]n1)c1ccccc1F)[N+](=O)[O-] ZINC000845873544 1321747934 /nfs/dbraw/zinc/74/79/34/1321747934.db2.gz DQSXKQBXAJODAQ-BMIGLBTASA-N 0 3 349.362 3.410 20 5 EGBDHN CC([C@H](OC(=O)COC1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845874953 1321748982 /nfs/dbraw/zinc/74/89/82/1321748982.db2.gz KJTKJMYYIHOOJK-BZNIZROVSA-N 0 3 325.336 3.034 20 5 EGBDHN COc1csc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845880701 1321750601 /nfs/dbraw/zinc/75/06/01/1321750601.db2.gz XVNLCVYOGFUTTE-XPTSAGLGSA-N 0 3 339.344 3.459 20 5 EGBDHN CC([C@@H](OC(=O)C[C@H]1CCC(=O)[C@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000845883744 1321751389 /nfs/dbraw/zinc/75/13/89/1321751389.db2.gz VMIBJCLSKUUMHA-KVFJLYFUSA-N 0 3 337.347 3.081 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](CCO)Cc1ccccc1 ZINC000850466065 1322254093 /nfs/dbraw/zinc/25/40/93/1322254093.db2.gz BZHBYNXDYUNTOH-HOCLYGCPSA-N 0 3 344.411 3.248 20 5 EGBDHN CC1C[C@H]2CC[C@@H](C1)N2Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000853605209 1325130819 /nfs/dbraw/zinc/13/08/19/1325130819.db2.gz HYCJMGMITCTJMW-SFESLNEESA-N 0 3 327.388 3.074 20 5 EGBDHN CC(C)=CC(=O)N1CCC(CN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029929557 1341124723 /nfs/dbraw/zinc/12/47/23/1341124723.db2.gz XBESDCZHZSOIRQ-UHFFFAOYSA-N 0 3 345.443 3.231 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]CC2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC001120052296 1371469478 /nfs/dbraw/zinc/46/94/78/1371469478.db2.gz PLXUUNREPFVLNE-UHFFFAOYSA-N 0 3 330.331 3.224 20 5 EGBDHN CC1(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001131140518 1373650389 /nfs/dbraw/zinc/65/03/89/1373650389.db2.gz MKXGZRNQVXWYFO-UHFFFAOYSA-N 0 3 333.432 3.161 20 5 EGBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C1CCCCCCC1 ZINC001131146063 1373652737 /nfs/dbraw/zinc/65/27/37/1373652737.db2.gz XIHWNZPPDHBTRS-UHFFFAOYSA-N 0 3 333.432 3.161 20 5 EGBDHN CCN1CC[C@H](Oc2cc(C(=O)OC(C)(C)C)ccc2[N+](=O)[O-])C1 ZINC001233529441 1376662765 /nfs/dbraw/zinc/66/27/65/1376662765.db2.gz WNMXCKWHYHVIFH-ZDUSSCGKSA-N 0 3 336.388 3.023 20 5 EGBDHN CC(C)c1ccsc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001152125223 1379866755 /nfs/dbraw/zinc/86/67/55/1379866755.db2.gz BAATVLMSBZQRFU-UHFFFAOYSA-N 0 3 347.440 3.299 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@H](C)N)nc1Cl ZINC001155247405 1380428886 /nfs/dbraw/zinc/42/88/86/1380428886.db2.gz GRSUFYMZBWBYAV-VIFPVBQESA-N 0 3 331.763 3.310 20 5 EGBDHN O=[N+]([O-])c1cccc2ccc(N3CCN[C@H](c4ccccc4)C3)nc21 ZINC001157758976 1381024294 /nfs/dbraw/zinc/02/42/94/1381024294.db2.gz GUPINECQRIWNFP-INIZCTEOSA-N 0 3 334.379 3.294 20 5 EGBDHN CN1CCC(N(c2ncc(Cl)cc2[N+](=O)[O-])C2CCCC2)CC1 ZINC001158485520 1381263554 /nfs/dbraw/zinc/26/35/54/1381263554.db2.gz NILXIOSFFAWPRS-UHFFFAOYSA-N 0 3 338.839 3.486 20 5 EGBDHN Cc1cccc(C)c1C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001167245593 1383573984 /nfs/dbraw/zinc/57/39/84/1383573984.db2.gz KHPDYUNOCFRCLR-UHFFFAOYSA-N 0 3 347.440 3.183 20 5 EGBDHN Cc1cc(CN(Cc2ccccc2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)on1 ZINC001169039232 1384098682 /nfs/dbraw/zinc/09/86/82/1384098682.db2.gz OMLFFSLHQWHWID-DLBZAZTESA-N 0 3 329.400 3.431 20 5 EGBDHN NCc1ccc2c(n1)N(c1ccc3ncccc3c1[N+](=O)[O-])CCC2 ZINC001169591129 1384162844 /nfs/dbraw/zinc/16/28/44/1384162844.db2.gz SJJHEFWCSLAVDE-UHFFFAOYSA-N 0 3 335.367 3.081 20 5 EGBDHN Cc1cc(C)c(N2CCCc3ccc(CN)nc32)c(C)c1[N+](=O)[O-] ZINC001169592221 1384163120 /nfs/dbraw/zinc/16/31/20/1384163120.db2.gz JHWFMLVYPPHMJR-UHFFFAOYSA-N 0 3 326.400 3.458 20 5 EGBDHN COc1ccc(C[C@H](C)N[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC001170305623 1384286863 /nfs/dbraw/zinc/28/68/63/1384286863.db2.gz OFKREEIMENRPCA-BLLLJJGKSA-N 0 3 328.368 3.258 20 5 EGBDHN COc1ccc(C[C@H](C)NCc2c(F)cccc2OC)c([N+](=O)[O-])c1 ZINC001170310515 1384288132 /nfs/dbraw/zinc/28/81/32/1384288132.db2.gz XOUAIJGQQHMUOZ-LBPRGKRZSA-N 0 3 348.374 3.472 20 5 EGBDHN CCCOC1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170347481 1384296580 /nfs/dbraw/zinc/29/65/80/1384296580.db2.gz RFPYRPPUEQYBQG-CQSZACIVSA-N 0 3 336.432 3.425 20 5 EGBDHN O=C(CN[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccc(F)cc1 ZINC001172900365 1384874183 /nfs/dbraw/zinc/87/41/83/1384874183.db2.gz SPJSKLNSMOBCMA-KRWDZBQOSA-N 0 3 342.370 3.454 20 5 EGBDHN COC(=O)c1ccccc1CN[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214789 1384936851 /nfs/dbraw/zinc/93/68/51/1384936851.db2.gz QEQWLOZZJSMBCR-CYBMUJFWSA-N 0 3 328.368 3.102 20 5 EGBDHN Cc1noc(C2CCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173234771 1384941923 /nfs/dbraw/zinc/94/19/23/1384941923.db2.gz TYGFXJRPURSDNT-GFCCVEGCSA-N 0 3 330.388 3.097 20 5 EGBDHN CCN1CCN(Cc2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001174478127 1385112775 /nfs/dbraw/zinc/11/27/75/1385112775.db2.gz OPJYEQAAVQVKSR-UHFFFAOYSA-N 0 3 340.427 3.476 20 5 EGBDHN CC1(C(=O)NCCCCCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC001178546883 1386246053 /nfs/dbraw/zinc/24/60/53/1386246053.db2.gz DASGRKMTTVXNLT-UHFFFAOYSA-N 0 3 339.461 3.223 20 5 EGBDHN CS[C@H]1CC[C@@H](N(C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC001319748830 1386278866 /nfs/dbraw/zinc/27/88/66/1386278866.db2.gz CBONLMGNWWTNDP-OCCSQVGLSA-N 0 3 334.445 3.426 20 5 EGBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@@H]3CCCC[C@@H]3C1)OCCO2 ZINC001320475296 1386620407 /nfs/dbraw/zinc/62/04/07/1386620407.db2.gz LIOMYOPYEBCPAP-UONOGXRCSA-N 0 3 332.400 3.378 20 5 EGBDHN COC(=O)[C@@H]1CC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC001343246742 1390702266 /nfs/dbraw/zinc/70/22/66/1390702266.db2.gz NSKLNZHOTKOAIG-OLZOCXBDSA-N 0 3 344.367 3.286 20 5 EGBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@H](C)CN1C ZINC000485417182 719254812 /nfs/dbraw/zinc/25/48/12/719254812.db2.gz PRXNVKDCVUUWLO-CHWSQXEVSA-N 0 3 344.390 3.325 20 5 EGBDHN Cc1c(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000179514816 233125494 /nfs/dbraw/zinc/12/54/94/233125494.db2.gz IBHJIJOFYMFAMH-HNNXBMFYSA-N 0 3 341.415 3.278 20 5 EGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@H](c1ccccc1)C1CC1 ZINC000182198091 234495919 /nfs/dbraw/zinc/49/59/19/234495919.db2.gz GZAUTFBKQCRTRU-VQIMIIECSA-N 0 3 342.395 3.075 20 5 EGBDHN CCCN(Cc1c([N+](=O)[O-])ncn1C)[C@H]1CCc2ccccc2C1 ZINC000355542054 283292164 /nfs/dbraw/zinc/29/21/64/283292164.db2.gz JKRNMBUESJIDNG-INIZCTEOSA-N 0 3 328.416 3.098 20 5 EGBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375463823 242058150 /nfs/dbraw/zinc/05/81/50/242058150.db2.gz GIAHYKDNDGYBAG-FZMZJTMJSA-N 0 3 328.372 3.406 20 5 EGBDHN Cc1nc(C)n(C[C@@H]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246990555 243351400 /nfs/dbraw/zinc/35/14/00/243351400.db2.gz AXIVKAFRKFZSPP-CZUORRHYSA-N 0 3 343.431 3.276 20 5 EGBDHN COc1cc(NC[C@H](c2ccco2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000266155049 248134856 /nfs/dbraw/zinc/13/48/56/248134856.db2.gz UZJGXWGWVYEQNX-OAHLLOKOSA-N 0 3 331.372 3.445 20 5 EGBDHN CCN(CCN1CCCCCC1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000345475144 284927586 /nfs/dbraw/zinc/92/75/86/284927586.db2.gz WRELSOLUSCRDTF-UHFFFAOYSA-N 0 3 333.432 3.241 20 5 EGBDHN C[C@H](c1ccncc1)N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000119260698 221278678 /nfs/dbraw/zinc/27/86/78/221278678.db2.gz BNGSTDREWSMMIM-CYBMUJFWSA-N 0 3 327.388 3.022 20 5 EGBDHN Cc1cc(NC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000338357488 141106139 /nfs/dbraw/zinc/10/61/39/141106139.db2.gz OVLPWNJQDMVFEF-UONOGXRCSA-N 0 3 334.420 3.288 20 5 EGBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356250074 141328372 /nfs/dbraw/zinc/32/83/72/141328372.db2.gz HTDHMQBTXQTGCS-ZDUSSCGKSA-N 0 3 344.415 3.070 20 5 EGBDHN CCOC(=O)C[C@](C)(NCc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000185231866 144108133 /nfs/dbraw/zinc/10/81/33/144108133.db2.gz UQNWSKWLVHOIKM-KRWDZBQOSA-N 0 3 338.404 3.061 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN2CCC(c3ccc(Cl)cc3)CC2)c1 ZINC000185799156 144119516 /nfs/dbraw/zinc/11/95/16/144119516.db2.gz XLPVFAQPKJAZET-UHFFFAOYSA-N 0 3 334.807 3.324 20 5 EGBDHN CN(Cc1cc(I)cc([N+](=O)[O-])c1)C1CCC1 ZINC000351513870 144272860 /nfs/dbraw/zinc/27/28/60/144272860.db2.gz MUPSCCXOGCVRLC-UHFFFAOYSA-N 0 3 346.168 3.184 20 5 EGBDHN C[C@@H](c1ccccc1)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000302640373 154027443 /nfs/dbraw/zinc/02/74/43/154027443.db2.gz ZXGYZTPCCIBOTB-WMLDXEAASA-N 0 3 330.384 3.028 20 5 EGBDHN COc1cc(CN[C@@H]2CCCC[C@@H]2OC(F)F)c([N+](=O)[O-])cc1F ZINC000337394229 154329823 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5 EGBDHN CC(C)(CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCCC1 ZINC000347313342 457347924 /nfs/dbraw/zinc/34/79/24/457347924.db2.gz ZBUFBXMXDQKXTB-UHFFFAOYSA-N 0 3 338.383 3.120 20 5 EGBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000347350410 457369219 /nfs/dbraw/zinc/36/92/19/457369219.db2.gz AVVQNCATRHUUMH-RCBBPTIPSA-N 0 3 341.415 3.304 20 5 EGBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000347350410 457369225 /nfs/dbraw/zinc/36/92/25/457369225.db2.gz AVVQNCATRHUUMH-RCBBPTIPSA-N 0 3 341.415 3.304 20 5 EGBDHN CC[C@H](c1ccccc1)[C@H]1CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000363587693 457373069 /nfs/dbraw/zinc/37/30/69/457373069.db2.gz SYTZBKKUJZHECX-HZPDHXFCSA-N 0 3 328.416 3.487 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)N(C)Cc1ccccc1 ZINC000360912995 457429521 /nfs/dbraw/zinc/42/95/21/457429521.db2.gz GGRIRBCQSMQFIZ-CYBMUJFWSA-N 0 3 331.420 3.052 20 5 EGBDHN COC(=O)CC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000347630488 457560793 /nfs/dbraw/zinc/56/07/93/457560793.db2.gz NSETXSRMLPDBMR-UHFFFAOYSA-N 0 3 344.367 3.430 20 5 EGBDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000408193118 457561362 /nfs/dbraw/zinc/56/13/62/457561362.db2.gz QYALULYKQUCPHP-FRRDWIJNSA-N 0 3 338.839 3.485 20 5 EGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000357848571 457711113 /nfs/dbraw/zinc/71/11/13/457711113.db2.gz JPBPVBDBXGSJEE-KDOFPFPSSA-N 0 3 341.411 3.324 20 5 EGBDHN C[C@@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N(C)C ZINC000357870689 457718801 /nfs/dbraw/zinc/71/88/01/457718801.db2.gz HPFGQFMYNNIPGQ-NWDGAFQWSA-N 0 3 347.440 3.451 20 5 EGBDHN O=[N+]([O-])c1cc(CNCC2(CO)CC(c3ccccc3)C2)cs1 ZINC000433206025 457778956 /nfs/dbraw/zinc/77/89/56/457778956.db2.gz GBDDBDIESSUHEA-UHFFFAOYSA-N 0 3 332.425 3.302 20 5 EGBDHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000411409826 457879450 /nfs/dbraw/zinc/87/94/50/457879450.db2.gz RIZKRVAWWYGXNC-IDCJVQTKSA-N 0 3 345.443 3.077 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN([C@@H]3C[C@H]3c3cccc(F)c3)CC2)n1 ZINC000411655741 457940390 /nfs/dbraw/zinc/94/03/90/457940390.db2.gz MLLXIAUNLPCXDV-JKSUJKDBSA-N 0 3 330.363 3.123 20 5 EGBDHN Cc1ccccc1O[C@@H]1CCCC[C@@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000362029166 458012943 /nfs/dbraw/zinc/01/29/43/458012943.db2.gz RWZQJBXJBRWEGK-WMLDXEAASA-N 0 3 344.415 3.117 20 5 EGBDHN CCn1nccc1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000375732649 458040576 /nfs/dbraw/zinc/04/05/76/458040576.db2.gz PTUKTHVRZPPPEP-UHFFFAOYSA-N 0 3 344.415 3.070 20 5 EGBDHN O=[N+]([O-])c1cccc(F)c1CNC1(CO)C2CC3CC(C2)CC1C3 ZINC000412007919 458043137 /nfs/dbraw/zinc/04/31/37/458043137.db2.gz XWEJIQKXWYIPHX-UHFFFAOYSA-N 0 3 334.391 3.011 20 5 EGBDHN C[C@H]1C[C@H]1N1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000429014882 458256242 /nfs/dbraw/zinc/25/62/42/458256242.db2.gz ZGWSKGZUQXOWCD-BWACUDIHSA-N 0 3 339.386 3.035 20 5 EGBDHN CC(C)(NC[C@@H](O)CCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429236076 458295358 /nfs/dbraw/zinc/29/53/58/458295358.db2.gz LBHDAUOUNQRSDK-INIZCTEOSA-N 0 3 328.412 3.413 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@@H]3CCC4(CCCCC4)O3)CC2)n1 ZINC000369679568 458315131 /nfs/dbraw/zinc/31/51/31/458315131.db2.gz DGAGWMDKPIRHJH-INIZCTEOSA-N 0 3 348.447 3.310 20 5 EGBDHN Cc1cccc(C[C@@H](CO)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447599780 458319567 /nfs/dbraw/zinc/31/95/67/458319567.db2.gz YREGHTKJMFDXES-PXNSSMCTSA-N 0 3 340.423 3.474 20 5 EGBDHN Cc1cccnc1OC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000429716708 458361637 /nfs/dbraw/zinc/36/16/37/458361637.db2.gz KREPCMBYXBKHII-UHFFFAOYSA-N 0 3 341.411 3.384 20 5 EGBDHN N[C@@H](CC1CCCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423855348 458498954 /nfs/dbraw/zinc/49/89/54/458498954.db2.gz WMWBEVGIGAYQQY-HNNXBMFYSA-N 0 3 339.823 3.162 20 5 EGBDHN CNC(=O)c1ccc(CNC/C(C)=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000468622449 458528240 /nfs/dbraw/zinc/52/82/40/458528240.db2.gz RFCLVSRNILOHEG-GXDHUFHOSA-N 0 3 339.395 3.148 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cccc(N(C)C)n1 ZINC000468621882 458528253 /nfs/dbraw/zinc/52/82/53/458528253.db2.gz RSZVNOWGOKHSGV-UVTDQMKNSA-N 0 3 326.400 3.249 20 5 EGBDHN COC(=O)[C@H]1CC12CCN(C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC2 ZINC000470177645 458620484 /nfs/dbraw/zinc/62/04/84/458620484.db2.gz SSNCRTWLWLLUQH-IDKBZEPQSA-N 0 3 344.411 3.273 20 5 EGBDHN CCc1ccc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000471338117 458689573 /nfs/dbraw/zinc/68/95/73/458689573.db2.gz WVOJUIMMLMMFBF-KGLIPLIRSA-N 0 3 333.432 3.150 20 5 EGBDHN CCc1ccc(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000471788691 458730203 /nfs/dbraw/zinc/73/02/03/458730203.db2.gz OGEAHRBXKMQNCQ-KGLIPLIRSA-N 0 3 333.432 3.007 20 5 EGBDHN CC[C@H](O)CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000441083443 458886728 /nfs/dbraw/zinc/88/67/28/458886728.db2.gz DVPMCMUXZVGFCV-KRWDZBQOSA-N 0 3 344.411 3.247 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1cccc(-n2cncn2)c1 ZINC000531712043 458965186 /nfs/dbraw/zinc/96/51/86/458965186.db2.gz DFENURQJHPTINC-CQSZACIVSA-N 0 3 337.383 3.335 20 5 EGBDHN O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CCCN3CCCC[C@@H]23)s1 ZINC000594597613 459103305 /nfs/dbraw/zinc/10/33/05/459103305.db2.gz DDGKPOZNVXUDPZ-RYUDHWBXSA-N 0 3 333.417 3.028 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCn1nc(C)cc1C ZINC000595005102 459212589 /nfs/dbraw/zinc/21/25/89/459212589.db2.gz XRGHHFKTZGDMPI-AWEZNQCLSA-N 0 3 332.404 3.158 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)Cc1c(C)noc1C ZINC000595007055 459213124 /nfs/dbraw/zinc/21/31/24/459213124.db2.gz FJTIHYBBNOCVSU-WDEREUQCSA-N 0 3 333.388 3.490 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](CCO)c1ccccc1 ZINC000595024034 459219457 /nfs/dbraw/zinc/21/94/57/459219457.db2.gz DXCJWRYUFBAELQ-ZBFHGGJFSA-N 0 3 344.411 3.420 20 5 EGBDHN Cc1ccccc1C(C)(C)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559326168 459251615 /nfs/dbraw/zinc/25/16/15/459251615.db2.gz HSPBNVNQRMXZDZ-MRXNPFEDSA-N 0 3 344.411 3.168 20 5 EGBDHN CC[C@H](C)N(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582031426 459293831 /nfs/dbraw/zinc/29/38/31/459293831.db2.gz IZPZCQWSKJVBOY-VIFPVBQESA-N 0 3 348.184 3.430 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cnc2n1CCCC2 ZINC000560092297 459300481 /nfs/dbraw/zinc/30/04/81/459300481.db2.gz NNBJIXGFUYBTSM-NTEUORMPSA-N 0 3 326.400 3.321 20 5 EGBDHN CCN(CCc1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000524424161 459362518 /nfs/dbraw/zinc/36/25/18/459362518.db2.gz YDWVCSRJGVPRGW-KRWDZBQOSA-N 0 3 342.395 3.299 20 5 EGBDHN C[C@@H](C(=O)N1CCCN(C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582819718 459431742 /nfs/dbraw/zinc/43/17/42/459431742.db2.gz JPGMTTRLRWGWDC-CQSZACIVSA-N 0 3 333.432 3.031 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595792324 459444369 /nfs/dbraw/zinc/44/43/69/459444369.db2.gz ZNKFZYKCJNCVJK-KDOFPFPSSA-N 0 3 334.416 3.385 20 5 EGBDHN O=c1[n-]ccc(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596091809 459517916 /nfs/dbraw/zinc/51/79/16/459517916.db2.gz DDYXFYYRVZEUDS-OAHLLOKOSA-N 0 3 342.399 3.020 20 5 EGBDHN O=c1[n-]ccc(NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596091809 459517922 /nfs/dbraw/zinc/51/79/22/459517922.db2.gz DDYXFYYRVZEUDS-OAHLLOKOSA-N 0 3 342.399 3.020 20 5 EGBDHN CCC[C@@H](C)[C@@H]1CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000486789483 459519955 /nfs/dbraw/zinc/51/99/55/459519955.db2.gz SPYYRWFNWBEWRO-PBHICJAKSA-N 0 3 333.432 3.458 20 5 EGBDHN CN(C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000596154206 459540205 /nfs/dbraw/zinc/54/02/05/459540205.db2.gz YWTYZDXCLVZKBM-CYBMUJFWSA-N 0 3 336.779 3.064 20 5 EGBDHN CCOc1ccc([C@@H](C)NCc2ccc(CO)cc2)cc1[N+](=O)[O-] ZINC000592393187 459589565 /nfs/dbraw/zinc/58/95/65/459589565.db2.gz SNYJCJZZEUEIPC-CYBMUJFWSA-N 0 3 330.384 3.337 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000542980399 459615726 /nfs/dbraw/zinc/61/57/26/459615726.db2.gz RRZLVRGCCDGCJD-KKUMJFAQSA-N 0 3 331.416 3.352 20 5 EGBDHN COc1cc(CNC2(C3CC3)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000543453772 459659155 /nfs/dbraw/zinc/65/91/55/459659155.db2.gz DMGNTUMHBZFQOY-UHFFFAOYSA-N 0 3 342.342 3.280 20 5 EGBDHN C[C@H](O)[C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000543748178 459694916 /nfs/dbraw/zinc/69/49/16/459694916.db2.gz JZXHIGOZZDZTJG-ZFWWWQNUSA-N 0 3 330.384 3.448 20 5 EGBDHN CCC[C@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000501802207 459745412 /nfs/dbraw/zinc/74/54/12/459745412.db2.gz DWXHUZCBSJVVNE-HOTGVXAUSA-N 0 3 335.448 3.089 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](N2CCOCC2)CC1 ZINC000585718689 459836849 /nfs/dbraw/zinc/83/68/49/459836849.db2.gz SYODIWYHFWZRAZ-IRXDYDNUSA-N 0 3 347.459 3.151 20 5 EGBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)Cc1cc(C(C)(C)C)[nH]n1 ZINC000574633031 459845919 /nfs/dbraw/zinc/84/59/19/459845919.db2.gz HARUNVQOEIKPIM-UHFFFAOYSA-N 0 3 332.404 3.126 20 5 EGBDHN Cc1ccc([C@@H](C)NC(=O)N(C)CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000593374232 459871048 /nfs/dbraw/zinc/87/10/48/459871048.db2.gz XNNWZXYKDJFRMN-OAHLLOKOSA-N 0 3 348.447 3.092 20 5 EGBDHN COc1ccc(C2(NCc3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 ZINC000609358306 459950277 /nfs/dbraw/zinc/95/02/77/459950277.db2.gz YSXIOORXLCCFHV-UHFFFAOYSA-N 0 3 342.395 3.399 20 5 EGBDHN O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCN(CC2CC2)C1 ZINC000609384419 459955006 /nfs/dbraw/zinc/95/50/06/459955006.db2.gz TVXJGKIOUVWQHE-GFCCVEGCSA-N 0 3 340.221 3.254 20 5 EGBDHN CC(C)Oc1ccc([C@H](CNc2cccnc2[N+](=O)[O-])N(C)C)cc1 ZINC000588845796 459990165 /nfs/dbraw/zinc/99/01/65/459990165.db2.gz QSJKYFCRAZKWMG-KRWDZBQOSA-N 0 3 344.415 3.492 20 5 EGBDHN CSCCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602554434 459995520 /nfs/dbraw/zinc/99/55/20/459995520.db2.gz YNXSDUZRFFYQSE-UHFFFAOYSA-N 0 3 325.253 3.262 20 5 EGBDHN O=[N+]([O-])c1cc(CNC[C@@H](CO)c2ccc(Cl)cc2)cs1 ZINC000588928733 460007728 /nfs/dbraw/zinc/00/77/28/460007728.db2.gz NYKFPCOULWIJNR-LBPRGKRZSA-N 0 3 326.805 3.175 20 5 EGBDHN CC(C)(C[C@H]1CCCN([C@@H]2CCc3c2cccc3[N+](=O)[O-])C1)C(N)=O ZINC000575880991 460026024 /nfs/dbraw/zinc/02/60/24/460026024.db2.gz CROPYKZBHMHTGI-CZUORRHYSA-N 0 3 345.443 3.196 20 5 EGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@H]1CCC[C@@H]1CCO ZINC000602625940 460029276 /nfs/dbraw/zinc/02/92/76/460029276.db2.gz VSWLNSNGJXQWPB-MFKMUULPSA-N 0 3 332.322 3.254 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@]2(CCN(C)C2)C1 ZINC000597710112 460034666 /nfs/dbraw/zinc/03/46/66/460034666.db2.gz HAISDBBBHKSTHD-IBGZPJMESA-N 0 3 345.443 3.078 20 5 EGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCCOC(F)F ZINC000602659970 460049046 /nfs/dbraw/zinc/04/90/46/460049046.db2.gz ZHBAWCPGYXLROL-UHFFFAOYSA-N 0 3 328.237 3.333 20 5 EGBDHN C[C@H](CCCCO)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602681972 460063268 /nfs/dbraw/zinc/06/32/68/460063268.db2.gz YLMNFNJUJFJJOL-MRVPVSSYSA-N 0 3 337.239 3.060 20 5 EGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CNc2cccc(CN(C)C)c2)c1 ZINC000589504251 460096991 /nfs/dbraw/zinc/09/69/91/460096991.db2.gz LVFSNNAUNQLUOP-UHFFFAOYSA-N 0 3 343.383 3.055 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000610248229 460098133 /nfs/dbraw/zinc/09/81/33/460098133.db2.gz YAHRRBQJOOKVDC-OAHLLOKOSA-N 0 3 342.399 3.277 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000602793062 460128134 /nfs/dbraw/zinc/12/81/34/460128134.db2.gz VEYKWHMSKANQIY-QGZVFWFLSA-N 0 3 332.379 3.370 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1cccc(OC(F)F)c1 ZINC000602801323 460132477 /nfs/dbraw/zinc/13/24/77/460132477.db2.gz NPQLVAHHEXBOST-SNVBAGLBSA-N 0 3 340.330 3.052 20 5 EGBDHN CC(C)(C(=O)N[C@H]1CCCN2CCCC[C@@H]12)c1ccccc1[N+](=O)[O-] ZINC000594196747 460143301 /nfs/dbraw/zinc/14/33/01/460143301.db2.gz MECMSRBZQXDRRI-RDJZCZTQSA-N 0 3 345.443 3.006 20 5 EGBDHN O=C(N[C@H]1CCCN2CCCC[C@H]12)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000594199305 460147386 /nfs/dbraw/zinc/14/73/86/460147386.db2.gz JKPJJDILEPNAPI-LSDHHAIUSA-N 0 3 343.383 3.088 20 5 EGBDHN CN(Cc1ccccc1)[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000610929535 460262608 /nfs/dbraw/zinc/26/26/08/460262608.db2.gz SVMRWUGXRJFEBW-OAHLLOKOSA-N 0 3 346.818 3.354 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(F)(F)C[C@H]1C ZINC000599621851 460290067 /nfs/dbraw/zinc/29/00/67/460290067.db2.gz IDYDOXIGGXFYJF-GFCCVEGCSA-N 0 3 341.358 3.351 20 5 EGBDHN CN(C(=O)CN1CCCC12CCCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000611153864 460297804 /nfs/dbraw/zinc/29/78/04/460297804.db2.gz CXKFJNMLPOTXPC-UHFFFAOYSA-N 0 3 331.416 3.356 20 5 EGBDHN Cc1ccc(CN2CC[C@@H](CN(C)c3ncccc3[N+](=O)[O-])C2)s1 ZINC000603404334 460298540 /nfs/dbraw/zinc/29/85/40/460298540.db2.gz ZDYNAFOVRFJRBA-AWEZNQCLSA-N 0 3 346.456 3.318 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCN1C1CCCCC1 ZINC000599779460 460332637 /nfs/dbraw/zinc/33/26/37/460332637.db2.gz ICVHOSGVBAPDTB-MRXNPFEDSA-N 0 3 346.431 3.432 20 5 EGBDHN CCOc1ccc([C@@H]2CCCN2CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000611656432 460424108 /nfs/dbraw/zinc/42/41/08/460424108.db2.gz VTIRFQGLULHYRO-KRWDZBQOSA-N 0 3 344.415 3.336 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCn1ccc(C(F)(F)F)n1 ZINC000601963740 460963488 /nfs/dbraw/zinc/96/34/88/460963488.db2.gz MBFBRTJUTAGCRQ-GFCCVEGCSA-N 0 3 340.305 3.087 20 5 EGBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000178205965 533828713 /nfs/dbraw/zinc/82/87/13/533828713.db2.gz UKGKIKNEBJSRRH-KGLIPLIRSA-N 0 3 327.384 3.315 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN1CCC(C)CC1 ZINC000191330035 534054994 /nfs/dbraw/zinc/05/49/94/534054994.db2.gz JFGAEPLQCKYZME-UHFFFAOYSA-N 0 3 334.420 3.065 20 5 EGBDHN Cc1nc(C)c(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000331608228 518192506 /nfs/dbraw/zinc/19/25/06/518192506.db2.gz MBTBQRCOEMELAN-CHWSQXEVSA-N 0 3 335.433 3.138 20 5 EGBDHN Cc1ccc(CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1[N+](=O)[O-] ZINC000728300799 574736660 /nfs/dbraw/zinc/73/66/60/574736660.db2.gz CISVRAJZNYEDLF-CYBMUJFWSA-N 0 3 339.395 3.273 20 5 EGBDHN COc1ccc(OCCN(C)CCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000743848723 576816797 /nfs/dbraw/zinc/81/67/97/576816797.db2.gz BKIUQSHZUBJYAE-UHFFFAOYSA-N 0 3 348.374 3.296 20 5 EGBDHN CC(COC(=O)c1cc(Cl)c(Br)cc1F)[N+](=O)[O-] ZINC000835453402 1293294150 /nfs/dbraw/zinc/29/41/50/1293294150.db2.gz BWRUGCRZXBTPFG-RXMQYKEDSA-N 0 3 340.532 3.064 20 5 EGBDHN CC(COC(=O)c1cc(Cl)c(Br)cc1F)[N+](=O)[O-] ZINC000835453404 1293294719 /nfs/dbraw/zinc/29/47/19/1293294719.db2.gz BWRUGCRZXBTPFG-YFKPBYRVSA-N 0 3 340.532 3.064 20 5 EGBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400390172 1297729772 /nfs/dbraw/zinc/72/97/72/1297729772.db2.gz ZQWDEOOCTMWQPL-UKRRQHHQSA-N 0 3 349.431 3.472 20 5 EGBDHN CC(C)(O)CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000750046671 1299329448 /nfs/dbraw/zinc/32/94/48/1299329448.db2.gz AIUBFWKRFKDQOS-UHFFFAOYSA-N 0 3 342.823 3.000 20 5 EGBDHN O=[N+]([O-])c1ccc(CN(CCO)CCc2ccccc2)cc1Cl ZINC000761510013 1301487677 /nfs/dbraw/zinc/48/76/77/1301487677.db2.gz AGHGJMOQTWXYIH-UHFFFAOYSA-N 0 3 334.803 3.285 20 5 EGBDHN Cc1c(CNCc2cccc(C3(C)OCCO3)c2)cccc1[N+](=O)[O-] ZINC000883128744 1302263281 /nfs/dbraw/zinc/26/32/81/1302263281.db2.gz TWBFHLWWOPISGP-UHFFFAOYSA-N 0 3 342.395 3.413 20 5 EGBDHN Cc1nc(C2CCN(Cc3ccc([N+](=O)[O-])cc3F)CC2)[nH]c1C ZINC000886665851 1303544963 /nfs/dbraw/zinc/54/49/63/1303544963.db2.gz IBGNHTALXLGVQY-UHFFFAOYSA-N 0 3 332.379 3.453 20 5 EGBDHN Cn1ccnc1[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000775189185 1303922812 /nfs/dbraw/zinc/92/28/12/1303922812.db2.gz DPQOIGMTCLVYRL-HQQUCIOCSA-N 0 3 326.400 3.221 20 5 EGBDHN CC[C@@](C)(NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775390318 1303953838 /nfs/dbraw/zinc/95/38/38/1303953838.db2.gz LFYOTHUAVJDJMJ-LJQANCHMSA-N 0 3 341.411 3.473 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000776591903 1304177930 /nfs/dbraw/zinc/17/79/30/1304177930.db2.gz RAHPWAPLZOXFFS-PKOBYXMFSA-N 0 3 341.411 3.205 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(CC(C)C)C2CCN(C)CC2)c1C ZINC000890986668 1304934936 /nfs/dbraw/zinc/93/49/36/1304934936.db2.gz MCKUNNZJSDXJDC-UHFFFAOYSA-N 0 3 347.459 3.404 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]CC2(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000892516882 1305418433 /nfs/dbraw/zinc/41/84/33/1305418433.db2.gz QGDNLWLABHWRPI-UHFFFAOYSA-N 0 3 328.368 3.130 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]CCc2ccc(Cl)s2)c1[N+](=O)[O-] ZINC000892609253 1305468961 /nfs/dbraw/zinc/46/89/61/1305468961.db2.gz ZIQZKBBTYCYTIV-UHFFFAOYSA-N 0 3 342.804 3.356 20 5 EGBDHN COCCN(Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@H](C)C1 ZINC000790475786 1306332549 /nfs/dbraw/zinc/33/25/49/1306332549.db2.gz BTCFLJZQPWHCAQ-DZGCQCFKSA-N 0 3 332.404 3.039 20 5 EGBDHN COc1c([O-])ccc(C[N@H+](C)C2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000894518340 1308934260 /nfs/dbraw/zinc/93/42/60/1308934260.db2.gz YERHVPZORKJIQO-UHFFFAOYSA-N 0 3 330.331 3.319 20 5 EGBDHN COc1c([O-])ccc(C[N@@H+](C)C2CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000894518340 1308934269 /nfs/dbraw/zinc/93/42/69/1308934269.db2.gz YERHVPZORKJIQO-UHFFFAOYSA-N 0 3 330.331 3.319 20 5 EGBDHN CCC(=O)c1ccc(N(C)CC[C@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC000795099912 1309668522 /nfs/dbraw/zinc/66/85/22/1309668522.db2.gz DDKATXXSATXDKX-OAHLLOKOSA-N 0 3 333.432 3.498 20 5 EGBDHN C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1O ZINC000897684666 1310433527 /nfs/dbraw/zinc/43/35/27/1310433527.db2.gz UVGJVWYFYAXGMS-ZUZCIYMTSA-N 0 3 336.775 3.321 20 5 EGBDHN CCc1onc(-c2ccccc2Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105466 1318501352 /nfs/dbraw/zinc/50/13/52/1318501352.db2.gz MOWVSGOKKNEPJL-SECBINFHSA-N 0 3 338.747 3.379 20 5 EGBDHN CC(COC(=O)c1c2c(sc1-n1cccc1)CCCC2)[N+](=O)[O-] ZINC000813115325 1318501708 /nfs/dbraw/zinc/50/17/08/1318501708.db2.gz OZNNOVRMRRRZSL-NSHDSACASA-N 0 3 334.397 3.240 20 5 EGBDHN CCCn1c(C)c(C(=O)OCC(C)[N+](=O)[O-])c2cc(OC)ccc21 ZINC000813112088 1318501855 /nfs/dbraw/zinc/50/18/55/1318501855.db2.gz NKFCQNGFKHLVEV-NSHDSACASA-N 0 3 334.372 3.190 20 5 EGBDHN CC(COC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)[N+](=O)[O-] ZINC000813112925 1318502731 /nfs/dbraw/zinc/50/27/31/1318502731.db2.gz MFLPOQQHJRVKED-QMMMGPOBSA-N 0 3 344.154 3.001 20 5 EGBDHN C[C@@H](NCc1ccc2c(c1)CCCN2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817977296 1319484246 /nfs/dbraw/zinc/48/42/46/1319484246.db2.gz GXPHYBBHJLYNML-GFCCVEGCSA-N 0 3 326.400 3.386 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000819002263 1319611477 /nfs/dbraw/zinc/61/14/77/1319611477.db2.gz UAFQDNLJTGKMCN-QRVBRYPASA-N 0 3 342.395 3.138 20 5 EGBDHN C[C@H]1CCC[C@@H](N(C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000917427988 1319809504 /nfs/dbraw/zinc/80/95/04/1319809504.db2.gz DQKDSZNEQCMYLG-DZGCQCFKSA-N 0 3 329.404 3.321 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000824376649 1320252892 /nfs/dbraw/zinc/25/28/92/1320252892.db2.gz SGMFLSVAFSJYKI-CABCVRRESA-N 0 3 349.456 3.063 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc1Cl ZINC000836785902 1320534628 /nfs/dbraw/zinc/53/46/28/1320534628.db2.gz ZCHYYMIQJLRDQR-GFCCVEGCSA-N 0 3 339.823 3.159 20 5 EGBDHN Cc1cc([N+](=O)[O-])cc(C(=O)OCCN(C)Cc2ccccc2)c1F ZINC000837663343 1320663141 /nfs/dbraw/zinc/66/31/41/1320663141.db2.gz VWBIWPRTQUUAER-UHFFFAOYSA-N 0 3 346.358 3.331 20 5 EGBDHN O=C(CN(CC1CC1)CC1CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000839521238 1320931534 /nfs/dbraw/zinc/93/15/34/1320931534.db2.gz YEXQYVPIBJGHFT-UHFFFAOYSA-N 0 3 337.807 3.309 20 5 EGBDHN CC(C)Oc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1Br ZINC000845575265 1321719187 /nfs/dbraw/zinc/71/91/87/1321719187.db2.gz GQDPPMAZUQFZBE-SECBINFHSA-N 0 3 346.177 3.058 20 5 EGBDHN C[C@@H](CN1CCCC1)OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000845666745 1321731163 /nfs/dbraw/zinc/73/11/63/1321731163.db2.gz XHGGHKBKTXJVNY-JTQLQIEISA-N 0 3 346.305 3.255 20 5 EGBDHN COc1ccc(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845874462 1321748170 /nfs/dbraw/zinc/74/81/70/1321748170.db2.gz ZFNYVICENDJTSJ-SGTLLEGYSA-N 0 3 347.342 3.327 20 5 EGBDHN CC([C@@H](OC(=O)c1cnn(C(C)(C)C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845873446 1321748272 /nfs/dbraw/zinc/74/82/72/1321748272.db2.gz DEQFKWPIAURGLG-IAQYHMDHSA-N 0 3 349.362 3.341 20 5 EGBDHN CC(C)n1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845879277 1321749134 /nfs/dbraw/zinc/74/91/34/1321749134.db2.gz IHCNZQUDHVUTQT-XHDPSFHLSA-N 0 3 335.335 3.166 20 5 EGBDHN Cc1cc(C)nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845877640 1321749684 /nfs/dbraw/zinc/74/96/84/1321749684.db2.gz FUVBOSITTPNUBF-LRDDRELGSA-N 0 3 332.331 3.401 20 5 EGBDHN CC([C@H](OC(=O)c1occ2c1CCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845883550 1321750007 /nfs/dbraw/zinc/75/00/07/1321750007.db2.gz URDCPNQZSPPUPQ-BONVTDFDSA-N 0 3 333.315 3.471 20 5 EGBDHN CC(C)n1nccc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879409 1321750031 /nfs/dbraw/zinc/75/00/31/1321750031.db2.gz USMUTRCIPNOWJE-ABAIWWIYSA-N 0 3 335.335 3.166 20 5 EGBDHN CC(COC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1)[N+](=O)[O-] ZINC000847714700 1321896254 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O=C(NC[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC001086294725 1359058714 /nfs/dbraw/zinc/05/87/14/1359058714.db2.gz NBAKQVJWRSEORY-CZIWCDLHSA-N 0 3 345.443 3.160 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1ccc(C(N)=O)cc1 ZINC001324014009 1387508936 /nfs/dbraw/zinc/50/89/36/1387508936.db2.gz GHPOSJDGDCJQLJ-UVTDQMKNSA-N 0 3 339.395 3.229 20 5 EGBDHN CCc1ccc(-c2nc([C@@H]3CN4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001325467564 1387984345 /nfs/dbraw/zinc/98/43/45/1387984345.db2.gz COUVHIOOEJQZCB-CQSZACIVSA-N 0 3 328.372 3.016 20 5 EGBDHN O=[N+]([O-])c1ccc(/C=C/c2ccc(OC[C@H]3CNCCO3)cc2)cc1 ZINC001218179313 1373573479 /nfs/dbraw/zinc/57/34/79/1373573479.db2.gz LVUTWRXZFFMJMV-VQSDEBNRSA-N 0 3 340.379 3.132 20 5 EGBDHN C[C@@H](Oc1cccc2c1CNC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218216360 1373579559 /nfs/dbraw/zinc/57/95/59/1373579559.db2.gz YWVXTZFOFTWKAC-SNVBAGLBSA-N 0 3 328.324 3.067 20 5 EGBDHN Cc1c(Cl)cc([N+](=O)[O-])c(O[C@H]2CN[C@@H]2C)c1Br ZINC001218386001 1373604435 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O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc(C2CC2)s1 ZINC001147733156 1379068386 /nfs/dbraw/zinc/06/83/86/1379068386.db2.gz MTFWSRRFODFGMS-UHFFFAOYSA-N 0 3 345.424 3.053 20 5 EGBDHN CC(C)(C)C12CC(C(=O)NCCNCc3ccc([N+](=O)[O-])cc3)(C1)C2 ZINC001152970548 1380000511 /nfs/dbraw/zinc/00/05/11/1380000511.db2.gz VNPSHPDRVILQDE-UHFFFAOYSA-N 0 3 345.443 3.017 20 5 EGBDHN O=[N+]([O-])c1c(Cl)ccnc1-n1cncc1CNCc1ccccc1 ZINC001156482658 1380581928 /nfs/dbraw/zinc/58/19/28/1380581928.db2.gz RHQQAMDCHMNADX-UHFFFAOYSA-N 0 3 343.774 3.119 20 5 EGBDHN Cc1scc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c1C ZINC001158797832 1381403510 /nfs/dbraw/zinc/40/35/10/1381403510.db2.gz JSISXQLKGAZDEB-UHFFFAOYSA-N 0 3 347.440 3.183 20 5 EGBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001159596238 1381841762 /nfs/dbraw/zinc/84/17/62/1381841762.db2.gz UOXPQQHNDYSDOS-NSHDSACASA-N 0 3 348.366 3.344 20 5 EGBDHN C[C@@H]1CN(c2cccc([N+](=O)[O-])n2)[C@@H](C)CN1Cc1ccccc1 ZINC001165201110 1383246274 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COC(=O)c1cccc([C@@H](C)Nc2cc3c(cc2[N+](=O)[O-])CNC3)c1 ZINC001171106625 1384446760 /nfs/dbraw/zinc/44/67/60/1384446760.db2.gz NMHIRLUOUQCMPD-LLVKDONJSA-N 0 3 341.367 3.158 20 5 EGBDHN CCCc1occc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001171115653 1384448836 /nfs/dbraw/zinc/44/88/36/1384448836.db2.gz OVHZFICWFAZGJG-UHFFFAOYSA-N 0 3 345.399 3.050 20 5 EGBDHN O=C(CN[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccc(F)c1 ZINC001172907693 1384875345 /nfs/dbraw/zinc/87/53/45/1384875345.db2.gz UUXAAFADYINONT-QGZVFWFLSA-N 0 3 342.370 3.454 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2ncccc2C)c1F ZINC001173175611 1384931773 /nfs/dbraw/zinc/93/17/73/1384931773.db2.gz PYUKJJVECKIERA-LBPRGKRZSA-N 0 3 333.363 3.167 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCC(=O)Cc1ccc(F)cc1 ZINC001173221130 1384938369 /nfs/dbraw/zinc/93/83/69/1384938369.db2.gz JVGLTRHATCHETM-ZDUSSCGKSA-N 0 3 330.359 3.066 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001173220424 1384938388 /nfs/dbraw/zinc/93/83/88/1384938388.db2.gz ADKWLXDQNPSQGH-DOMZBBRYSA-N 0 3 346.349 3.305 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001173232482 1384941439 /nfs/dbraw/zinc/94/14/39/1384941439.db2.gz HDKCPVFUXCCSDR-DOMZBBRYSA-N 0 3 326.343 3.026 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CC(F)(F)CO2 ZINC001173232483 1384941634 /nfs/dbraw/zinc/94/16/34/1384941634.db2.gz HDKCPVFUXCCSDR-IUODEOHRSA-N 0 3 326.343 3.026 20 5 EGBDHN CN1CCN(Cc2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC001174478119 1385112792 /nfs/dbraw/zinc/11/27/92/1385112792.db2.gz OILFERAMQCKPJE-UHFFFAOYSA-N 0 3 326.400 3.086 20 5 EGBDHN COC(=O)[C@@H]1CCC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001321077472 1386802498 /nfs/dbraw/zinc/80/24/98/1386802498.db2.gz XMPYDJFAQGANGR-UKRRQHHQSA-N 0 3 344.367 3.286 20 5 EGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001329583005 1389166996 /nfs/dbraw/zinc/16/69/96/1389166996.db2.gz LJLFRSZAOVASQK-UKRRQHHQSA-N 0 3 332.400 3.394 20 5 EGBDHN Cc1c(CNc2ccc(N3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC001330792564 1389529308 /nfs/dbraw/zinc/52/93/08/1389529308.db2.gz DZAJFXALTVMVQA-UHFFFAOYSA-N 0 3 340.427 3.267 20 5 EGBDHN CC[C@H](NCC1(C(=O)N(C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000165128456 529590995 /nfs/dbraw/zinc/59/09/95/529590995.db2.gz MIYVFNUMIMFPRR-INIZCTEOSA-N 0 3 333.432 3.284 20 5 EGBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178429643 529933292 /nfs/dbraw/zinc/93/32/92/529933292.db2.gz WOGYVYOTBLHEDZ-HSZRJFAPSA-N 0 3 332.425 3.007 20 5 EGBDHN Cc1ccc([C@@H](C)NC(=O)c2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000177856921 232013986 /nfs/dbraw/zinc/01/39/86/232013986.db2.gz XASSZRUSZZJGEG-CQSZACIVSA-N 0 3 341.411 3.456 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000178653354 232341348 /nfs/dbraw/zinc/34/13/48/232341348.db2.gz SCKKXVPRRRJDSB-QAPCUYQASA-N 0 3 344.411 3.132 20 5 EGBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375463825 242057863 /nfs/dbraw/zinc/05/78/63/242057863.db2.gz GIAHYKDNDGYBAG-SMDDNHRTSA-N 0 3 328.372 3.406 20 5 EGBDHN CC(C)[C@H](CCO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000266124348 248114341 /nfs/dbraw/zinc/11/43/41/248114341.db2.gz BCHOFUMSQHRMOL-HNNXBMFYSA-N 0 3 335.429 3.215 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CC[C@H](N3CCCCC3)C2)cc1OC(F)F ZINC000266418414 248290782 /nfs/dbraw/zinc/29/07/82/248290782.db2.gz RSICUFJKMVXWPB-ZDUSSCGKSA-N 0 3 341.358 3.261 20 5 EGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@H]2CCC[C@@H]2C1 ZINC000153244614 224078633 /nfs/dbraw/zinc/07/86/33/224078633.db2.gz UIDZSPWBKOEEPF-MRVWCRGKSA-N 0 3 328.372 3.438 20 5 EGBDHN Cc1nc(NC2CCN([C@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000119269890 221280788 /nfs/dbraw/zinc/28/07/88/221280788.db2.gz DDHIBLWBZQXURO-CQSZACIVSA-N 0 3 341.415 3.331 20 5 EGBDHN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000181526440 533344832 /nfs/dbraw/zinc/34/48/32/533344832.db2.gz SXAVMVCGYCEQJA-HUUCEWRRSA-N 0 3 341.411 3.339 20 5 EGBDHN COc1ccc(CNCc2ccccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000237447138 141002772 /nfs/dbraw/zinc/00/27/72/141002772.db2.gz RYLXLJZLFJBFAB-UHFFFAOYSA-N 0 3 338.367 3.079 20 5 EGBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](Cc2nccn2C)C1 ZINC000246572559 141016054 /nfs/dbraw/zinc/01/60/54/141016054.db2.gz BXOAWVKUPJIYSO-CABCVRRESA-N 0 3 328.416 3.344 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)C(F)F)s2)cc1 ZINC000344765342 144221729 /nfs/dbraw/zinc/22/17/29/144221729.db2.gz WLCLAIXBLDNRDB-GFCCVEGCSA-N 0 3 328.340 3.039 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H](c3ccc(F)cc3)CC2)c1 ZINC000351200291 144259227 /nfs/dbraw/zinc/25/92/27/144259227.db2.gz JIJYPXGXHSZYRG-CQSZACIVSA-N 0 3 332.379 3.200 20 5 EGBDHN CC1CCN(CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000322939476 154170539 /nfs/dbraw/zinc/17/05/39/154170539.db2.gz PENRZQOSYHDHND-UHFFFAOYSA-N 0 3 332.326 3.152 20 5 EGBDHN Cc1nc(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)c(C)o1 ZINC000346835273 156158366 /nfs/dbraw/zinc/15/83/66/156158366.db2.gz UYXZSKDBQWCPEW-UHFFFAOYSA-N 0 3 341.314 3.133 20 5 EGBDHN COCC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000337950083 163194779 /nfs/dbraw/zinc/19/47/79/163194779.db2.gz OXNUVFDHZYQNNO-OAHLLOKOSA-N 0 3 338.404 3.002 20 5 EGBDHN CC(C)[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000338330552 163212946 /nfs/dbraw/zinc/21/29/46/163212946.db2.gz KIWGOGKFURUWQU-GOSISDBHSA-N 0 3 347.459 3.106 20 5 EGBDHN CSc1ccc([C@H](CNc2ncccc2[N+](=O)[O-])N(C)C)cc1 ZINC000338835526 163359026 /nfs/dbraw/zinc/35/90/26/163359026.db2.gz HVWAVPATPCYCRR-HNNXBMFYSA-N 0 3 332.429 3.427 20 5 EGBDHN CC(C)(C)OCCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354730637 166018762 /nfs/dbraw/zinc/01/87/62/166018762.db2.gz KOISHVXVYBRADZ-CQSZACIVSA-N 0 3 336.436 3.071 20 5 EGBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345680594 164241610 /nfs/dbraw/zinc/24/16/10/164241610.db2.gz FQCYWAHXMOEACX-IIYDPXPESA-N 0 3 349.456 3.042 20 5 EGBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N1CCCC[C@H]1C ZINC000351653877 165117994 /nfs/dbraw/zinc/11/79/94/165117994.db2.gz DAZPLHGLTGJEOX-VXGBXAGGSA-N 0 3 338.383 3.118 20 5 EGBDHN CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000351948284 165162834 /nfs/dbraw/zinc/16/28/34/165162834.db2.gz CRERTDNGOFRXOS-AWEZNQCLSA-N 0 3 349.431 3.121 20 5 EGBDHN CN(C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCSC1 ZINC000358995321 167032078 /nfs/dbraw/zinc/03/20/78/167032078.db2.gz DEGLVOYFVXZFGA-CYBMUJFWSA-N 0 3 349.378 3.463 20 5 EGBDHN CCC1(CC)[C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000359422989 167152404 /nfs/dbraw/zinc/15/24/04/167152404.db2.gz WRJLHJNHCIHHHD-WQVCFCJDSA-N 0 3 349.431 3.105 20 5 EGBDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000359548956 167188527 /nfs/dbraw/zinc/18/85/27/167188527.db2.gz VIBSCYKSLYXKFN-WFASDCNBSA-N 0 3 331.372 3.047 20 5 EGBDHN Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000359818038 167240440 /nfs/dbraw/zinc/24/04/40/167240440.db2.gz ICGZPNJLPATLHD-INIZCTEOSA-N 0 3 345.374 3.075 20 5 EGBDHN CO[C@@H]1CCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000162164824 264904496 /nfs/dbraw/zinc/90/44/96/264904496.db2.gz ULSCPHWKMKQCTA-DGCLKSJQSA-N 0 3 329.194 3.014 20 5 EGBDHN C[C@H](NC(=O)N(CCN(C)C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000176830334 265208632 /nfs/dbraw/zinc/20/86/32/265208632.db2.gz XIVWDJHLFYMQPI-AWEZNQCLSA-N 0 3 348.447 3.172 20 5 EGBDHN CC(=O)c1ccc(N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000269450208 266296599 /nfs/dbraw/zinc/29/65/99/266296599.db2.gz VRLSAHNYLNQUGT-RDJZCZTQSA-N 0 3 343.427 3.251 20 5 EGBDHN CC(C)N(CCN(C)C)C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000269743845 266351714 /nfs/dbraw/zinc/35/17/14/266351714.db2.gz XXIBJVMGIMXGRY-UHFFFAOYSA-N 0 3 347.337 3.026 20 5 EGBDHN CC(C)N(CCC(=O)N1CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064349975 275150592 /nfs/dbraw/zinc/15/05/92/275150592.db2.gz OQHVDXXKVXXFIU-UHFFFAOYSA-N 0 3 333.432 3.208 20 5 EGBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000090795072 275153417 /nfs/dbraw/zinc/15/34/17/275153417.db2.gz LMFPUPIBWRLKLS-ZJUUUORDSA-N 0 3 328.210 3.252 20 5 EGBDHN C[C@H]1C[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CN1C1CC1 ZINC000278686545 275265652 /nfs/dbraw/zinc/26/56/52/275265652.db2.gz IMERNNJLMZIOBQ-GWCFXTLKSA-N 0 3 343.349 3.328 20 5 EGBDHN CCC(=O)c1ccc(N2CC[C@@H](N3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286562114 276016954 /nfs/dbraw/zinc/01/69/54/276016954.db2.gz WYELFFYGYPEKJQ-UKRRQHHQSA-N 0 3 331.416 3.251 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000289859760 276407647 /nfs/dbraw/zinc/40/76/47/276407647.db2.gz QXRAHLDXFFMTJT-XJKSGUPXSA-N 0 3 346.431 3.248 20 5 EGBDHN CCN1CCC(NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291413508 276640494 /nfs/dbraw/zinc/64/04/94/276640494.db2.gz GVMSGXIVGVXJRQ-UHFFFAOYSA-N 0 3 346.214 3.116 20 5 EGBDHN CC(C)c1ccc(CN[C@@H](C2CC2)[C@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000354724084 278037285 /nfs/dbraw/zinc/03/72/85/278037285.db2.gz RRTAFNOYLGSSHH-RBUKOAKNSA-N 0 3 348.443 3.128 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](N(C)C)Cc2ccccc21 ZINC000067207444 281016487 /nfs/dbraw/zinc/01/64/87/281016487.db2.gz JIJCDFUICCFPTA-INIZCTEOSA-N 0 3 339.395 3.036 20 5 EGBDHN Cc1c(C(=O)N(CC(C)C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000053222763 300914158 /nfs/dbraw/zinc/91/41/58/300914158.db2.gz PFZCDLDEZDHMMY-UHFFFAOYSA-N 0 3 333.432 3.096 20 5 EGBDHN Cc1ccc([C@@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000067452455 307365672 /nfs/dbraw/zinc/36/56/72/307365672.db2.gz JBZAHNMQAYXDEE-KDOFPFPSSA-N 0 3 339.395 3.359 20 5 EGBDHN Cc1ccc([C@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000067452457 307365781 /nfs/dbraw/zinc/36/57/81/307365781.db2.gz JBZAHNMQAYXDEE-KSSFIOAISA-N 0 3 339.395 3.359 20 5 EGBDHN CCCNC(=O)C1(NCc2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000078655405 307420331 /nfs/dbraw/zinc/42/03/31/307420331.db2.gz DVEJKOIWYNPCOL-UHFFFAOYSA-N 0 3 333.432 3.222 20 5 EGBDHN CCC[C@@H](NCCC(C)(C)S(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC000414256137 309069009 /nfs/dbraw/zinc/06/90/09/309069009.db2.gz LBFMTBNMINSXAK-OAHLLOKOSA-N 0 3 342.461 3.239 20 5 EGBDHN CC1(C)C[C@H](N[C@@H]2CCCC(F)(F)[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000414294795 309071113 /nfs/dbraw/zinc/07/11/13/309071113.db2.gz FAPSUMQWRVSLKJ-ILXRZTDVSA-N 0 3 340.370 3.456 20 5 EGBDHN C[C@@H](NC[C@H](c1ccco1)N1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293720392 308155839 /nfs/dbraw/zinc/15/58/39/308155839.db2.gz MLVFFGJRSXYHKZ-CXAGYDPISA-N 0 3 344.415 3.258 20 5 EGBDHN C[C@@H](NCc1ccc2c(c1)OCCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293945593 308176408 /nfs/dbraw/zinc/17/64/08/308176408.db2.gz YZFRHOMEXMWYCP-GFCCVEGCSA-N 0 3 343.383 3.189 20 5 EGBDHN CSc1ccc([C@@H](CNc2ncc([N+](=O)[O-])s2)N(C)C)cc1 ZINC000293969576 308178947 /nfs/dbraw/zinc/17/89/47/308178947.db2.gz HRALOHLWPJVGNY-GFCCVEGCSA-N 0 3 338.458 3.488 20 5 EGBDHN CC(C)c1nnc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000294700937 308247540 /nfs/dbraw/zinc/24/75/40/308247540.db2.gz DAYKBCRHCHKQHE-HIFRSBDPSA-N 0 3 343.431 3.337 20 5 EGBDHN CC(C)c1nnc(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000294700937 308247542 /nfs/dbraw/zinc/24/75/42/308247542.db2.gz DAYKBCRHCHKQHE-HIFRSBDPSA-N 0 3 343.431 3.337 20 5 EGBDHN C[C@H](CN1CCCCC1)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000323682891 308768808 /nfs/dbraw/zinc/76/88/08/308768808.db2.gz HPIHVHKYBGYPGH-SNVBAGLBSA-N 0 3 332.326 3.295 20 5 EGBDHN C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000413291730 309025388 /nfs/dbraw/zinc/02/53/88/309025388.db2.gz CKVYZVYQQLIOBO-MLGOLLRUSA-N 0 3 330.363 3.204 20 5 EGBDHN C[C@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000431727183 309641321 /nfs/dbraw/zinc/64/13/21/309641321.db2.gz SVFUIEFZHUVREY-KSSFIOAISA-N 0 3 341.411 3.465 20 5 EGBDHN CC1(C)C[C@@H](NCc2ccc(C(N)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433162657 309680384 /nfs/dbraw/zinc/68/03/84/309680384.db2.gz MSQFPXUHDFQHBH-QGZVFWFLSA-N 0 3 339.395 3.206 20 5 EGBDHN CCn1cc([C@H]2OCCC[C@@H]2NCc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000433921069 309700043 /nfs/dbraw/zinc/70/00/43/309700043.db2.gz RQWKQPOUESOKEW-FUHWJXTLSA-N 0 3 344.415 3.130 20 5 EGBDHN CSc1cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000447586988 309983295 /nfs/dbraw/zinc/98/32/95/309983295.db2.gz PMRVMUXOOIPWAH-ZIAGYGMSSA-N 0 3 347.444 3.182 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000450993763 310153942 /nfs/dbraw/zinc/15/39/42/310153942.db2.gz ANNDAQHJMLEPKA-MRXNPFEDSA-N 0 3 327.384 3.248 20 5 EGBDHN CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451329739 310172302 /nfs/dbraw/zinc/17/23/02/310172302.db2.gz KORNGPZIYUKJBH-KRWDZBQOSA-N 0 3 334.803 3.456 20 5 EGBDHN CCOc1cc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000451482582 310180484 /nfs/dbraw/zinc/18/04/84/310180484.db2.gz WFCAMMGAYSCNLS-XKQJLSEDSA-N 0 3 334.416 3.287 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000452073771 310210580 /nfs/dbraw/zinc/21/05/80/310210580.db2.gz VYGDQKMYKFZCBP-RDBSUJKOSA-N 0 3 349.431 3.346 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C)CCCc1cccnc1 ZINC000453115207 310258898 /nfs/dbraw/zinc/25/88/98/310258898.db2.gz WOAFAGJPVOBPSK-CQSZACIVSA-N 0 3 329.400 3.499 20 5 EGBDHN CCn1ccnc1[C@@H](C)N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453353282 310272588 /nfs/dbraw/zinc/27/25/88/310272588.db2.gz NQCZKFTZSULMJE-CJNGLKHVSA-N 0 3 328.416 3.483 20 5 EGBDHN CON1CCC(N(C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000453619836 310284861 /nfs/dbraw/zinc/28/48/61/310284861.db2.gz KZXPXRQUPCVLFL-UHFFFAOYSA-N 0 3 345.399 3.312 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H](C(C)C)C1(CO)CCCC1 ZINC000459525355 310558496 /nfs/dbraw/zinc/55/84/96/310558496.db2.gz HHMBFJISNMBRMP-KRWDZBQOSA-N 0 3 336.432 3.270 20 5 EGBDHN Cc1ccccc1-n1nccc1CNCCc1ccccc1[N+](=O)[O-] ZINC000474809968 310799900 /nfs/dbraw/zinc/79/99/00/310799900.db2.gz OKUNNXPVKJFXAA-UHFFFAOYSA-N 0 3 336.395 3.421 20 5 EGBDHN C[C@@H](O)[C@@](C)(CNCc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000480465490 310895062 /nfs/dbraw/zinc/89/50/62/310895062.db2.gz DVUKFJUFGLDOKZ-AUUYWEPGSA-N 0 3 346.402 3.453 20 5 EGBDHN C[C@H]1C[C@@H]1N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488751553 311078356 /nfs/dbraw/zinc/07/83/56/311078356.db2.gz PRHDGGBEGKGBBN-ZQIUZPCESA-N 0 3 340.427 3.310 20 5 EGBDHN COc1ccc(CN(C)CCOc2cccc([N+](=O)[O-])c2)cc1C ZINC000489150627 311093893 /nfs/dbraw/zinc/09/38/93/311093893.db2.gz YJGFOXRFZDRJEI-UHFFFAOYSA-N 0 3 330.384 3.423 20 5 EGBDHN CN(C)CCc1ccccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491990404 311206267 /nfs/dbraw/zinc/20/62/67/311206267.db2.gz MPWVKQOHPYCQIU-KHPPLWFESA-N 0 3 339.395 3.351 20 5 EGBDHN CN(C)CCc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491990405 311206321 /nfs/dbraw/zinc/20/63/21/311206321.db2.gz MPWVKQOHPYCQIU-ZHACJKMWSA-N 0 3 339.395 3.351 20 5 EGBDHN COC(=O)[C@H](C)CN(Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000508678788 312099245 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CN(C)Cc1ccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000564702273 316189416 /nfs/dbraw/zinc/18/94/16/316189416.db2.gz WRLRBTHAFQZWFJ-UHFFFAOYSA-N 0 3 341.411 3.322 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1NCc1ccccc1OCCN(C)C ZINC000568457460 316776266 /nfs/dbraw/zinc/77/62/66/316776266.db2.gz CSHZZGDYXSSSHP-UHFFFAOYSA-N 0 3 329.400 3.456 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccnc4ccccc34)CC2)n1 ZINC000571737157 317239189 /nfs/dbraw/zinc/23/91/89/317239189.db2.gz LYIRRMSDTQFVPR-UHFFFAOYSA-N 0 3 337.383 3.177 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000573767140 317525753 /nfs/dbraw/zinc/52/57/53/317525753.db2.gz TWDMRBNMHUGGDJ-INIZCTEOSA-N 0 3 346.431 3.249 20 5 EGBDHN CCc1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000175278642 323317344 /nfs/dbraw/zinc/31/73/44/323317344.db2.gz LGLSWKKJTBGZCQ-UHFFFAOYSA-N 0 3 341.411 3.149 20 5 EGBDHN CC(C)(C(=O)Nc1cccc2c1CCNC2)c1ccc([N+](=O)[O-])cc1 ZINC000582720100 325464679 /nfs/dbraw/zinc/46/46/79/325464679.db2.gz FBHIMXQCMJUBLU-UHFFFAOYSA-N 0 3 339.395 3.157 20 5 EGBDHN CCN(CC1CC1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157892306 455245604 /nfs/dbraw/zinc/24/56/04/455245604.db2.gz YEPDEBWISUJNJC-SNVBAGLBSA-N 0 3 325.796 3.307 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN[C@@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000180998705 455274983 /nfs/dbraw/zinc/27/49/83/455274983.db2.gz OUTUUJIMJLMCJY-QGZVFWFLSA-N 0 3 332.379 3.452 20 5 EGBDHN CN(C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000018177672 453646000 /nfs/dbraw/zinc/64/60/00/453646000.db2.gz IOYRLRRKRBIXRM-INIZCTEOSA-N 0 3 328.372 3.019 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1ccsc1 ZINC000026260241 453795500 /nfs/dbraw/zinc/79/55/00/453795500.db2.gz FTSHVXWNRRSJOW-UHFFFAOYSA-N 0 3 349.412 3.126 20 5 EGBDHN CCCCNC(=O)[C@@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075676652 453916243 /nfs/dbraw/zinc/91/62/43/453916243.db2.gz ANAZBZIJSRKBJO-LSDHHAIUSA-N 0 3 333.432 3.284 20 5 EGBDHN CN(CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000054281583 453920486 /nfs/dbraw/zinc/92/04/86/453920486.db2.gz SNSDJDQTNSCLFI-UHFFFAOYSA-N 0 3 347.802 3.110 20 5 EGBDHN C[C@H](CN1CCCCC1)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000042322220 454005548 /nfs/dbraw/zinc/00/55/48/454005548.db2.gz YGFKQTWLNMEFJP-SNVBAGLBSA-N 0 3 343.225 3.039 20 5 EGBDHN CCc1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000069691768 454133095 /nfs/dbraw/zinc/13/30/95/454133095.db2.gz ASHAMACHVBEVTP-GOSISDBHSA-N 0 3 341.411 3.190 20 5 EGBDHN CN(C)C[C@H]1CCCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000119966305 454242704 /nfs/dbraw/zinc/24/27/04/454242704.db2.gz NPKIICLPABEFIT-OAHLLOKOSA-N 0 3 347.459 3.449 20 5 EGBDHN O=S1(=O)CC[C@@H](NCc2c3ccccc3cc3ccccc32)C1 ZINC000072712646 454331991 /nfs/dbraw/zinc/33/19/91/454331991.db2.gz LVFRITNMQWCDCH-MRXNPFEDSA-N 0 3 325.433 3.270 20 5 EGBDHN O=[N+]([O-])c1cccc(N2CCN(Cc3cccc4[nH]ccc43)CC2)c1 ZINC000092048272 454509537 /nfs/dbraw/zinc/50/95/37/454509537.db2.gz XIOYTTURJRFPQS-UHFFFAOYSA-N 0 3 336.395 3.398 20 5 EGBDHN CC(C)(C)CC(C)(C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000182197423 455458786 /nfs/dbraw/zinc/45/87/86/455458786.db2.gz JDYBNIRIAWOXSA-UHFFFAOYSA-N 0 3 342.461 3.173 20 5 EGBDHN O=[N+]([O-])c1ccc(CN(CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000074312278 454560935 /nfs/dbraw/zinc/56/09/35/454560935.db2.gz NEKLXZGSVLSRPS-LJQANCHMSA-N 0 3 326.396 3.467 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](CO)C3)o2)c(Cl)c1 ZINC000092763010 454628291 /nfs/dbraw/zinc/62/82/91/454628291.db2.gz KBJJRORBYIRNGA-NSHDSACASA-N 0 3 336.775 3.322 20 5 EGBDHN CCc1ccc(C2=CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000093262598 454697258 /nfs/dbraw/zinc/69/72/58/454697258.db2.gz RGYLLDLJPOUCGZ-UHFFFAOYSA-N 0 3 326.400 3.143 20 5 EGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000152982977 454749698 /nfs/dbraw/zinc/74/96/98/454749698.db2.gz ZGIYHALWKCBWCA-RYUDHWBXSA-N 0 3 349.456 3.062 20 5 EGBDHN CCOC(=O)CC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000162138489 454753324 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Cn1cc(CNCCOC2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171051897 455021309 /nfs/dbraw/zinc/02/13/09/455021309.db2.gz UPCPOQFDTAFVHG-UHFFFAOYSA-N 0 3 344.415 3.044 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000151926901 455050279 /nfs/dbraw/zinc/05/02/79/455050279.db2.gz QJVHCBQIECMJTM-RDJZCZTQSA-N 0 3 346.383 3.155 20 5 EGBDHN CCN1CCC[C@H]1CN(C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000179701755 455068862 /nfs/dbraw/zinc/06/88/62/455068862.db2.gz YZMCHKYZSDSHCB-HNNXBMFYSA-N 0 3 333.432 3.076 20 5 EGBDHN COC(=O)C[C@H]1CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179893122 455094741 /nfs/dbraw/zinc/09/47/41/455094741.db2.gz XVCFEBVAOHMFHJ-CQSZACIVSA-N 0 3 344.367 3.382 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN(C)Cc2ccccc2)c1 ZINC000172700731 455176106 /nfs/dbraw/zinc/17/61/06/455176106.db2.gz HSRCNOQUVRTOLJ-UHFFFAOYSA-N 0 3 341.411 3.155 20 5 EGBDHN C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173411161 455278981 /nfs/dbraw/zinc/27/89/81/455278981.db2.gz HWKAPNHOSRGQPF-OCCSQVGLSA-N 0 3 335.404 3.255 20 5 EGBDHN COc1cccc([C@@H](CNc2cccc(OC)c2[N+](=O)[O-])N(C)C)c1 ZINC000181211575 455302902 /nfs/dbraw/zinc/30/29/02/455302902.db2.gz AEAWLLOLLFWMLJ-MRXNPFEDSA-N 0 3 345.399 3.327 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCOCC2(CCOCC2)C1 ZINC000184088431 455352103 /nfs/dbraw/zinc/35/21/03/455352103.db2.gz PHSPSNFSWDEJFT-HNNXBMFYSA-N 0 3 334.416 3.093 20 5 EGBDHN CSC[C@@](C)(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000265675714 455359605 /nfs/dbraw/zinc/35/96/05/455359605.db2.gz HQYAUMGANSPDPT-INIZCTEOSA-N 0 3 336.413 3.058 20 5 EGBDHN CC(C)c1ccc(CNC(C)(C)CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000174640967 455408660 /nfs/dbraw/zinc/40/86/60/455408660.db2.gz PTJSIFLERISQCM-UHFFFAOYSA-N 0 3 342.461 3.021 20 5 EGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC(C)CC1 ZINC000184693469 455429185 /nfs/dbraw/zinc/42/91/85/455429185.db2.gz TWDHVEZCHVCBFW-QGZVFWFLSA-N 0 3 347.459 3.012 20 5 EGBDHN CN(C)[C@@]1(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCSC1 ZINC000267134489 455505888 /nfs/dbraw/zinc/50/58/88/455505888.db2.gz WLMGEFGHKWTESX-CQSZACIVSA-N 0 3 347.387 3.045 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000191968319 455536334 /nfs/dbraw/zinc/53/63/34/455536334.db2.gz GCKGADQSIIRYLT-MSOLQXFVSA-N 0 3 328.368 3.093 20 5 EGBDHN CC(=O)Nc1cccc([C@@H](C)NCCOc2ccccc2[N+](=O)[O-])c1 ZINC000182545278 455537561 /nfs/dbraw/zinc/53/75/61/455537561.db2.gz FTVWKFVIMIDELF-CYBMUJFWSA-N 0 3 343.383 3.283 20 5 EGBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCN(CCc3ccccc3)C2)s1 ZINC000192450522 455619972 /nfs/dbraw/zinc/61/99/72/455619972.db2.gz FTSLUGWQIYWIMQ-AWEZNQCLSA-N 0 3 332.429 3.028 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000268231452 455625249 /nfs/dbraw/zinc/62/52/49/455625249.db2.gz FCDRUUSQXDQATC-PBHICJAKSA-N 0 3 346.383 3.155 20 5 EGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1cnn(CC)c1 ZINC000271420049 455630245 /nfs/dbraw/zinc/63/02/45/455630245.db2.gz AGHAHCYPLWRWIJ-CQSZACIVSA-N 0 3 334.445 3.472 20 5 EGBDHN CC(C)N1CCC(N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000248021315 455670582 /nfs/dbraw/zinc/67/05/82/455670582.db2.gz FGNGZGKFYYBQBQ-UHFFFAOYSA-N 0 3 339.823 3.193 20 5 EGBDHN Cc1cc(NC(=O)NCc2ccc(CN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000193559955 455764598 /nfs/dbraw/zinc/76/45/98/455764598.db2.gz SPQFTFCSWYEISM-UHFFFAOYSA-N 0 3 342.399 3.287 20 5 EGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000249751067 455773565 /nfs/dbraw/zinc/77/35/65/455773565.db2.gz AYKMQNGGDKWCDP-RBSFLKMASA-N 0 3 348.447 3.075 20 5 EGBDHN CN(Cc1cc(=O)oc2ccc3ccccc3c12)CC(C)(C)CO ZINC000295180843 455841939 /nfs/dbraw/zinc/84/19/39/455841939.db2.gz HZOUVDWUPNVXHV-UHFFFAOYSA-N 0 3 325.408 3.397 20 5 EGBDHN C[C@@H]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000255288370 455863698 /nfs/dbraw/zinc/86/36/98/455863698.db2.gz QXCFVDDCZXEJEN-CLUARGJDSA-N 0 3 326.400 3.388 20 5 EGBDHN CC1(C)CC[C@H](CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000187097499 455869824 /nfs/dbraw/zinc/86/98/24/455869824.db2.gz AWVXTMDVXJEHSI-QGZVFWFLSA-N 0 3 334.416 3.396 20 5 EGBDHN Cc1c(CN2CCNC[C@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000261761857 455943652 /nfs/dbraw/zinc/94/36/52/455943652.db2.gz OAZHATTUVCSSMX-SFHVURJKSA-N 0 3 329.375 3.189 20 5 EGBDHN O=[N+]([O-])c1cccc(F)c1CN1CCNC[C@@H]1c1cccc(F)c1 ZINC000261826429 455954541 /nfs/dbraw/zinc/95/45/41/455954541.db2.gz SPYNOJRPHUFEPH-QGZVFWFLSA-N 0 3 333.338 3.020 20 5 EGBDHN CCOc1ccc([C@H](C)NC[C@@H](O)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000271134001 456136370 /nfs/dbraw/zinc/13/63/70/456136370.db2.gz MMIUMVTXEAUMIJ-SWLSCSKDSA-N 0 3 334.372 3.279 20 5 EGBDHN CCOC1CC(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000188788189 456137762 /nfs/dbraw/zinc/13/77/62/456137762.db2.gz AKXDHZZBHRRZJR-UHFFFAOYSA-N 0 3 344.358 3.491 20 5 EGBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301558546 456145898 /nfs/dbraw/zinc/14/58/98/456145898.db2.gz TWVKKLXFUTXGMI-CMPLNLGQSA-N 0 3 331.338 3.390 20 5 EGBDHN Cc1cccc([C@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000273039722 456156308 /nfs/dbraw/zinc/15/63/08/456156308.db2.gz DQIBNGPCXBVSMS-PKOBYXMFSA-N 0 3 326.396 3.426 20 5 EGBDHN CC1CCN(CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302072607 456279914 /nfs/dbraw/zinc/27/99/14/456279914.db2.gz ZIPSNGQTNNFYOE-UHFFFAOYSA-N 0 3 329.347 3.340 20 5 EGBDHN C[C@@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302176948 456307915 /nfs/dbraw/zinc/30/79/15/456307915.db2.gz XMYBXSIIPCDICO-NSHDSACASA-N 0 3 329.347 3.483 20 5 EGBDHN Cc1cc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000302191812 456312756 /nfs/dbraw/zinc/31/27/56/456312756.db2.gz ZLTOPNMQJZXANL-GOEBONIOSA-N 0 3 326.400 3.231 20 5 EGBDHN COc1cc(CNC[C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])cc1OC ZINC000281769524 456315575 /nfs/dbraw/zinc/31/55/75/456315575.db2.gz SYTTYIKGSGNAFW-SNVBAGLBSA-N 0 3 330.331 3.137 20 5 EGBDHN O=[N+]([O-])c1cc(CN[C@H]2C[C@@H](CO)C2)ccc1Oc1ccc(F)cc1 ZINC000601139604 460728327 /nfs/dbraw/zinc/72/83/27/460728327.db2.gz GYIMBAXAQXGWOE-OTVXOJSOSA-N 0 3 346.358 3.387 20 5 EGBDHN C[C@@H](CCCNC(=O)OC(C)(C)C)NCc1ccccc1[N+](=O)[O-] ZINC000290730154 456416272 /nfs/dbraw/zinc/41/62/72/456416272.db2.gz PHHTXMMVXVIFJL-ZDUSSCGKSA-N 0 3 337.420 3.378 20 5 EGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282151387 456426827 /nfs/dbraw/zinc/42/68/27/456426827.db2.gz FRMOWOXCDBPBOV-YOEHRIQHSA-N 0 3 340.427 3.500 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282151385 456426917 /nfs/dbraw/zinc/42/69/17/456426917.db2.gz FRMOWOXCDBPBOV-RHSMWYFYSA-N 0 3 340.427 3.500 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000303755613 456483885 /nfs/dbraw/zinc/48/38/85/456483885.db2.gz GKLSKTGSADEZDQ-QGZVFWFLSA-N 0 3 339.439 3.344 20 5 EGBDHN CCCN(CCN1CCCC1)c1cc(OC)c([N+](=O)[O-])cc1F ZINC000343269475 456497239 /nfs/dbraw/zinc/49/72/39/456497239.db2.gz JFXVXVYXNQVNKP-UHFFFAOYSA-N 0 3 325.384 3.055 20 5 EGBDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000353329244 456642524 /nfs/dbraw/zinc/64/25/24/456642524.db2.gz KEEDWRDFUHUCKU-WFASDCNBSA-N 0 3 346.387 3.439 20 5 EGBDHN CCC[C@H](N[C@H]1CC(=O)N2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000338009997 456654461 /nfs/dbraw/zinc/65/44/61/456654461.db2.gz HGMPLFGGQGJCII-YESZJQIVSA-N 0 3 331.416 3.179 20 5 EGBDHN CC1(C)C[C@@H](N[C@H]2CCC(=O)NC23CCC3)c2cc([N+](=O)[O-])ccc21 ZINC000282958088 456674865 /nfs/dbraw/zinc/67/48/65/456674865.db2.gz CJLFBJBVMDEOMH-CVEARBPZSA-N 0 3 343.427 3.108 20 5 EGBDHN COc1ccc(CN[C@H](C)[C@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000291648493 456707208 /nfs/dbraw/zinc/70/72/08/456707208.db2.gz CMAQGNOFFXVJKB-PIGZYNQJSA-N 0 3 348.424 3.457 20 5 EGBDHN C[C@H](c1ccccn1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299714847 456772118 /nfs/dbraw/zinc/77/21/18/456772118.db2.gz REVXWEFCYBCEMF-CYBMUJFWSA-N 0 3 328.372 3.011 20 5 EGBDHN COCCOc1cccc(CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000348668698 456808574 /nfs/dbraw/zinc/80/85/74/456808574.db2.gz DRKUCHPPWCTISZ-UHFFFAOYSA-N 0 3 344.411 3.295 20 5 EGBDHN CO[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1(C)C ZINC000344700528 456849779 /nfs/dbraw/zinc/84/97/79/456849779.db2.gz QKEJVPFDQXIDSX-QWHCGFSZSA-N 0 3 330.331 3.099 20 5 EGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000354424469 457213510 /nfs/dbraw/zinc/21/35/10/457213510.db2.gz ZUTBQXZTXDORAD-CQSZACIVSA-N 0 3 345.399 3.335 20 5 EGBDHN COc1cc(CN[C@@H](C)Cc2cccc(O)c2)c([N+](=O)[O-])cc1OC ZINC000356922883 457221919 /nfs/dbraw/zinc/22/19/19/457221919.db2.gz QTJANWUUPRPXND-LBPRGKRZSA-N 0 3 346.383 3.038 20 5 EGBDHN C[C@@H](CN(C)Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1F ZINC000342438957 457304927 /nfs/dbraw/zinc/30/49/27/457304927.db2.gz KKLBEIXGQGOGRN-AWEZNQCLSA-N 0 3 331.391 3.344 20 5 EGBDHN C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC12CCCCC2 ZINC000360629163 457323031 /nfs/dbraw/zinc/32/30/31/457323031.db2.gz QZTRGKBQQNVUSO-HNNXBMFYSA-N 0 3 333.432 3.049 20 5 EGBDHN COCCOC1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347361521 457375510 /nfs/dbraw/zinc/37/55/10/457375510.db2.gz PBDBYYOSCFJPIB-QINSGFPZSA-N 0 3 334.416 3.126 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374410078 457616822 /nfs/dbraw/zinc/61/68/22/457616822.db2.gz GEMRGMGZHYIBMJ-HUUCEWRRSA-N 0 3 334.416 3.240 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCc3c[nH]nc3C2)o1 ZINC000374543132 457653892 /nfs/dbraw/zinc/65/38/92/457653892.db2.gz ZRCDNZZXTNEOBN-ZDUSSCGKSA-N 0 3 338.367 3.225 20 5 EGBDHN O=[N+]([O-])c1ccc(CNC2CCN(CC(F)F)CC2)c(Cl)c1 ZINC000361457420 457737954 /nfs/dbraw/zinc/73/79/54/457737954.db2.gz AFYLJWJHZRADCF-UHFFFAOYSA-N 0 3 333.766 3.067 20 5 EGBDHN CCN(CC1CCC1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000361485510 457747252 /nfs/dbraw/zinc/74/72/52/457747252.db2.gz ODMAXMFSXWVPRG-LBPRGKRZSA-N 0 3 335.404 3.052 20 5 EGBDHN CC(C)N(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000411406202 457876864 /nfs/dbraw/zinc/87/68/64/457876864.db2.gz FHNNIOXZDVKVEN-UHFFFAOYSA-N 0 3 342.399 3.229 20 5 EGBDHN CC(C)c1ccc(CN[C@H]2CCC(=O)NC23CCC3)cc1[N+](=O)[O-] ZINC000367033702 457920589 /nfs/dbraw/zinc/92/05/89/457920589.db2.gz PRYSKFUSVXNZLX-INIZCTEOSA-N 0 3 331.416 3.009 20 5 EGBDHN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1C ZINC000444660132 457929525 /nfs/dbraw/zinc/92/95/25/457929525.db2.gz RMMNXJWUWMBXRP-RHSMWYFYSA-N 0 3 333.432 3.458 20 5 EGBDHN COc1ccc(CNC2CC(OCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000361902890 457943589 /nfs/dbraw/zinc/94/35/89/457943589.db2.gz YWKWIOCHMPNETG-UHFFFAOYSA-N 0 3 342.395 3.441 20 5 EGBDHN CCCNC(=O)CCCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000411784895 457978162 /nfs/dbraw/zinc/97/81/62/457978162.db2.gz HWNYOSPWPLXSPZ-INIZCTEOSA-N 0 3 333.432 3.081 20 5 EGBDHN Cc1cccc(CN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000428756853 458207260 /nfs/dbraw/zinc/20/72/60/458207260.db2.gz HOQWYRHBUYRUEF-KRWDZBQOSA-N 0 3 344.411 3.083 20 5 EGBDHN CC(C)Oc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000373270995 458449103 /nfs/dbraw/zinc/44/91/03/458449103.db2.gz CAKNEYSXZBGROO-UHFFFAOYSA-N 0 3 344.415 3.416 20 5 EGBDHN N[C@@H](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c1ccccc1 ZINC000423728779 458476481 /nfs/dbraw/zinc/47/64/81/458476481.db2.gz ULEWHPIUWZLGPH-KRWDZBQOSA-N 0 3 339.395 3.176 20 5 EGBDHN CCc1ccc(C(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000468479037 458521314 /nfs/dbraw/zinc/52/13/14/458521314.db2.gz GEXMNRXOIIDSAX-INIZCTEOSA-N 0 3 333.432 3.007 20 5 EGBDHN CCCCN1CCCC[C@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000460911679 458540386 /nfs/dbraw/zinc/54/03/86/458540386.db2.gz RUODQVSXQUOOLT-HNNXBMFYSA-N 0 3 333.432 3.288 20 5 EGBDHN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000493990074 458613855 /nfs/dbraw/zinc/61/38/55/458613855.db2.gz XCGMPFQFNDCHIR-ZFWWWQNUSA-N 0 3 349.431 3.330 20 5 EGBDHN CCc1ccc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000471338116 458689700 /nfs/dbraw/zinc/68/97/00/458689700.db2.gz WVOJUIMMLMMFBF-KBPBESRZSA-N 0 3 333.432 3.150 20 5 EGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)c1cccc(O)c1 ZINC000433037422 458831317 /nfs/dbraw/zinc/83/13/17/458831317.db2.gz FEJJGCUQHSYUCS-CHWSQXEVSA-N 0 3 343.383 3.368 20 5 EGBDHN Cc1ccc(C[C@@H](CO)NC/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000466903288 458931566 /nfs/dbraw/zinc/93/15/66/458931566.db2.gz RPRJWSGAEDZTTM-SUZKBHRPSA-N 0 3 326.396 3.110 20 5 EGBDHN CC(C)C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000467173853 458955932 /nfs/dbraw/zinc/95/59/32/458955932.db2.gz SAKGNUDYTZANPC-YOEHRIQHSA-N 0 3 331.416 3.068 20 5 EGBDHN CCOC(=O)c1cc(N[C@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000467733135 458984826 /nfs/dbraw/zinc/98/48/26/458984826.db2.gz UEQCRQBBDSLIAT-CYBMUJFWSA-N 0 3 335.404 3.058 20 5 EGBDHN Cc1ccc([C@H](C)N[C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589950192 459055963 /nfs/dbraw/zinc/05/59/63/459055963.db2.gz YBIAQNRESIMVER-ZKYQVNSYSA-N 0 3 332.322 3.400 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CO)C1CCCCC1 ZINC000590194577 459099604 /nfs/dbraw/zinc/09/96/04/459099604.db2.gz KGVWEDFNWYMEKG-INIZCTEOSA-N 0 3 336.432 3.272 20 5 EGBDHN O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1CCCCC1(F)F)OCCO2 ZINC000590655213 459172600 /nfs/dbraw/zinc/17/26/00/459172600.db2.gz YIVCEAJIVZQURU-LBPRGKRZSA-N 0 3 342.342 3.281 20 5 EGBDHN C[C@H](c1ccccc1)[C@H](O)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000595000550 459210572 /nfs/dbraw/zinc/21/05/72/459210572.db2.gz LGEVCNNATQTRHN-POCIPILMSA-N 0 3 326.396 3.362 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)[C@H](C)c1ccccc1 ZINC000595107642 459246810 /nfs/dbraw/zinc/24/68/10/459246810.db2.gz OZSCLPWPPHKLGW-QWQRMKEZSA-N 0 3 344.411 3.419 20 5 EGBDHN C[C@H](C(=O)N1CCCN(C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582819717 459430929 /nfs/dbraw/zinc/43/09/29/459430929.db2.gz JPGMTTRLRWGWDC-AWEZNQCLSA-N 0 3 333.432 3.031 20 5 EGBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595791583 459443230 /nfs/dbraw/zinc/44/32/30/459443230.db2.gz WAQQLYIRRRUIAX-RDJZCZTQSA-N 0 3 334.416 3.255 20 5 EGBDHN CC(C)CC1(NCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000595832732 459458430 /nfs/dbraw/zinc/45/84/30/459458430.db2.gz YINKOXXNHYKOHP-UHFFFAOYSA-N 0 3 325.796 3.355 20 5 EGBDHN CC(C)[N@H+](C)Cc1ccccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596075750 459509880 /nfs/dbraw/zinc/50/98/80/459509880.db2.gz KMZIQFXRZDFRDO-UHFFFAOYSA-N 0 3 330.388 3.148 20 5 EGBDHN CC(C)[N@@H+](C)Cc1ccccc1CNc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596075750 459509881 /nfs/dbraw/zinc/50/98/81/459509881.db2.gz KMZIQFXRZDFRDO-UHFFFAOYSA-N 0 3 330.388 3.148 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@]1(C)CCO[C@H]1C1CC1 ZINC000543237262 459636822 /nfs/dbraw/zinc/63/68/22/459636822.db2.gz WHEAJZXNFFTZBI-ZWKOTPCHSA-N 0 3 334.416 3.429 20 5 EGBDHN CC[C@@H]1CO[C@@H](CC)CN1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000593059631 459760607 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CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813104059 1318501040 /nfs/dbraw/zinc/50/10/40/1318501040.db2.gz JHLBFKUDMWKWDQ-SNVBAGLBSA-N 0 3 342.779 3.147 20 5 EGBDHN COc1ccc([C@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000858604944 1328807536 /nfs/dbraw/zinc/80/75/36/1328807536.db2.gz QMDJMGHVWPLSKY-BBATYDOGSA-N 0 3 342.399 3.383 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000930316730 1328832222 /nfs/dbraw/zinc/83/22/22/1328832222.db2.gz OGLYZTDVGZBLIJ-HNNXBMFYSA-N 0 3 346.431 3.350 20 5 EGBDHN CCC(C)(C)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000824292121 1320245401 /nfs/dbraw/zinc/24/54/01/1320245401.db2.gz LUQBHIIPIVAFOX-DLBZAZTESA-N 0 3 345.443 3.031 20 5 EGBDHN CCC(C)(C)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000824292122 1320245487 /nfs/dbraw/zinc/24/54/87/1320245487.db2.gz LUQBHIIPIVAFOX-IAGOWNOFSA-N 0 3 345.443 3.031 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@@H](C)C2)cc1Cl ZINC000836380903 1320480590 /nfs/dbraw/zinc/48/05/90/1320480590.db2.gz ADDKJOLRVJOXNJ-LLVKDONJSA-N 0 3 339.823 3.018 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1CCCCN1C(C)C ZINC000837356177 1320603455 /nfs/dbraw/zinc/60/34/55/1320603455.db2.gz NGHNCQZMGCKPDZ-AWEZNQCLSA-N 0 3 336.388 3.023 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1CCCCN1C(C)C ZINC000837669052 1320663519 /nfs/dbraw/zinc/66/35/19/1320663519.db2.gz ZVYUUYNJHKMKML-AWEZNQCLSA-N 0 3 336.388 3.023 20 5 EGBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000843766036 1321545367 /nfs/dbraw/zinc/54/53/67/1321545367.db2.gz OYHXCJPZCOFUJE-NWDGAFQWSA-N 0 3 337.395 3.035 20 5 EGBDHN CC(C)(C)N1CC[C@@H]1COC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000845730469 1321736825 /nfs/dbraw/zinc/73/68/25/1321736825.db2.gz NYJXBMKLKQRGQO-OWCLPIDISA-N 0 3 332.400 3.114 20 5 EGBDHN CC([C@H](OC(=O)c1noc2c1CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845873408 1321747847 /nfs/dbraw/zinc/74/78/47/1321747847.db2.gz DARLRTTWCBJQEA-HWPZZCPQSA-N 0 3 348.330 3.256 20 5 EGBDHN CCOC1CC(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845876359 1321748990 /nfs/dbraw/zinc/74/89/90/1321748990.db2.gz CPMDOTOWPVSDEY-WLZISSGESA-N 0 3 339.363 3.280 20 5 EGBDHN CC(=O)CC(C)(C)CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879345 1321749479 /nfs/dbraw/zinc/74/94/79/1321749479.db2.gz IYKCMRNUGNRQQW-LRDDRELGSA-N 0 3 339.363 3.471 20 5 EGBDHN CC([C@H](OC(=O)COC1(C)CCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877327 1321749499 /nfs/dbraw/zinc/74/94/99/1321749499.db2.gz PBPHKCWPKIIEBE-ABAIWWIYSA-N 0 3 325.336 3.034 20 5 EGBDHN CC(C)n1nccc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879417 1321750153 /nfs/dbraw/zinc/75/01/53/1321750153.db2.gz USMUTRCIPNOWJE-XHDPSFHLSA-N 0 3 335.335 3.166 20 5 EGBDHN CC[C@H](C)[C@H](OC)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883517 1321750441 /nfs/dbraw/zinc/75/04/41/1321750441.db2.gz UFJLYPLWOQXADN-LWWSYDQCSA-N 0 3 327.352 3.136 20 5 EGBDHN CN(CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000848524875 1321968597 /nfs/dbraw/zinc/96/85/97/1321968597.db2.gz IUZAMJXPXIREAC-CQSZACIVSA-N 0 3 335.404 3.039 20 5 EGBDHN COC(=O)Cc1ccccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000848574058 1321978782 /nfs/dbraw/zinc/97/87/82/1321978782.db2.gz OIRINPVEAWCFRF-CQSZACIVSA-N 0 3 342.395 3.470 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](O)c1ccccc1C ZINC000850434718 1322248754 /nfs/dbraw/zinc/24/87/54/1322248754.db2.gz WXWMSRCSUDNJBQ-GUYCJALGSA-N 0 3 330.384 3.296 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(O)CCc2ccccc21 ZINC000850449241 1322251530 /nfs/dbraw/zinc/25/15/30/1322251530.db2.gz XSPKQGMGSUIZPQ-DJJJIMSYSA-N 0 3 342.395 3.088 20 5 EGBDHN C[C@@H](CN(C)C(=O)OC(C)(C)C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000850578476 1322271756 /nfs/dbraw/zinc/27/17/56/1322271756.db2.gz LMHGJVZHGYXWNV-WFASDCNBSA-N 0 3 349.431 3.427 20 5 EGBDHN C[C@@H](CN(C)C(=O)OC(C)(C)C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000850578475 1322271795 /nfs/dbraw/zinc/27/17/95/1322271795.db2.gz LMHGJVZHGYXWNV-SWLSCSKDSA-N 0 3 349.431 3.427 20 5 EGBDHN CC([C@H](OC(=O)[C@@H]1C[C@H]1OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000851108996 1322335969 /nfs/dbraw/zinc/33/59/69/1322335969.db2.gz UGMJTLYTUKCMJF-LTZCYQRMSA-N 0 3 339.363 3.279 20 5 EGBDHN CC([C@@H](OC(=O)[C@@H]1C[C@H]1OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000851108998 1322336251 /nfs/dbraw/zinc/33/62/51/1322336251.db2.gz UGMJTLYTUKCMJF-PZTHBURQSA-N 0 3 339.363 3.279 20 5 EGBDHN Cc1cc(C(F)(F)F)nn1CCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000922427151 1322526653 /nfs/dbraw/zinc/52/66/53/1322526653.db2.gz BCBMEEMRSKGQTI-UHFFFAOYSA-N 0 3 342.321 3.217 20 5 EGBDHN C[C@@H](NC(=O)N(CCN(C)C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000925239598 1325091852 /nfs/dbraw/zinc/09/18/52/1325091852.db2.gz XYXJFFSTZRKWAT-CQSZACIVSA-N 0 3 348.447 3.172 20 5 EGBDHN CCC[C@H](OCC)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000860854960 1329363451 /nfs/dbraw/zinc/36/34/51/1329363451.db2.gz NRANPNDOVYSEJG-CQDKDKBSSA-N 0 3 327.352 3.280 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN([C@H]3CCc4c3cccc4F)CC2)n1 ZINC001116821017 1370981417 /nfs/dbraw/zinc/98/14/17/1370981417.db2.gz HAOYVTXHDYMQRZ-INIZCTEOSA-N 0 3 330.363 3.255 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC001119252741 1371290837 /nfs/dbraw/zinc/29/08/37/1371290837.db2.gz NXYIXJULAYLVPW-VIFPVBQESA-N 0 3 326.759 3.243 20 5 EGBDHN Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H](N)CC1CCCC1 ZINC001218858264 1373662127 /nfs/dbraw/zinc/66/21/27/1373662127.db2.gz WQJLQJGAPXHFKA-AWEZNQCLSA-N 0 3 349.438 3.211 20 5 EGBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1Oc1ncccc1[N+](=O)[O-] ZINC001225589830 1375127445 /nfs/dbraw/zinc/12/74/45/1375127445.db2.gz FRAOKBPTNJVJSK-RHSMWYFYSA-N 0 3 327.384 3.279 20 5 EGBDHN O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001225664333 1375140710 /nfs/dbraw/zinc/14/07/10/1375140710.db2.gz NFQNEXWHHHYOKG-CYBMUJFWSA-N 0 3 349.774 3.002 20 5 EGBDHN O=[N+]([O-])c1c([O-])ccnc1O[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001225664333 1375140712 /nfs/dbraw/zinc/14/07/12/1375140712.db2.gz NFQNEXWHHHYOKG-CYBMUJFWSA-N 0 3 349.774 3.002 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226752076 1375324742 /nfs/dbraw/zinc/32/47/42/1375324742.db2.gz XITBECRISSHZJD-DYVFJYSZSA-N 0 3 345.374 3.418 20 5 EGBDHN COCCN1CCC(Oc2c([N+](=O)[O-])cccc2C(F)(F)F)CC1 ZINC001228930734 1375718826 /nfs/dbraw/zinc/71/88/26/1375718826.db2.gz PEELYYYCHRFFMW-UHFFFAOYSA-N 0 3 348.321 3.103 20 5 EGBDHN Cc1ccnc([N+](=O)[O-])c1O[C@H]1CCCN(Cc2ccccc2)C1 ZINC001233551681 1376666745 /nfs/dbraw/zinc/66/67/45/1376666745.db2.gz RCZNSNGUOJLLFG-INIZCTEOSA-N 0 3 327.384 3.342 20 5 EGBDHN CC(C)(C(=O)NCCNCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC001135004699 1376840283 /nfs/dbraw/zinc/84/02/83/1376840283.db2.gz VAOSBIGIWWIRAO-UHFFFAOYSA-N 0 3 347.459 3.407 20 5 EGBDHN CN(CCCNC(=O)CC1=CCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001235766795 1376891150 /nfs/dbraw/zinc/89/11/50/1376891150.db2.gz QZENBAODPBBQMX-UHFFFAOYSA-N 0 3 345.443 3.423 20 5 EGBDHN O=[N+]([O-])c1cnc(N[C@@H]2CNCc3ccsc32)c2ccccc21 ZINC001155560263 1380468722 /nfs/dbraw/zinc/46/87/22/1380468722.db2.gz BZZYITIJFBJEHP-CYBMUJFWSA-N 0 3 326.381 3.461 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)ncnc2NCC1CN(Cc2ccccc2)C1 ZINC001156399900 1380571289 /nfs/dbraw/zinc/57/12/89/1380571289.db2.gz BUSIQQNCRVJSRJ-UHFFFAOYSA-N 0 3 349.394 3.082 20 5 EGBDHN Cc1c(C)c(-n2cncc2CNCc2ccccc2)ncc1[N+](=O)[O-] ZINC001156496815 1380584051 /nfs/dbraw/zinc/58/40/51/1380584051.db2.gz YMYVNJNJPSTNGR-UHFFFAOYSA-N 0 3 337.383 3.082 20 5 EGBDHN CCOc1nc(N(C2CCCC2)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001158487501 1381265342 /nfs/dbraw/zinc/26/53/42/1381265342.db2.gz DOEWZYHDNGHRQD-UHFFFAOYSA-N 0 3 348.447 3.232 20 5 EGBDHN O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2OCC2CC[NH2+]CC2)c1 ZINC001160187938 1382028304 /nfs/dbraw/zinc/02/83/04/1382028304.db2.gz BNBMITLQWLBXOF-UHFFFAOYSA-N 0 3 343.383 3.422 20 5 EGBDHN Cc1cc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c(C)s1 ZINC001161978051 1382584275 /nfs/dbraw/zinc/58/42/75/1382584275.db2.gz GTIYGMGDEKUFHQ-UHFFFAOYSA-N 0 3 347.440 3.183 20 5 EGBDHN O=[N+]([O-])c1cc(N[C@H]2CNCc3ccsc32)cc2cccnc21 ZINC001163227811 1382998425 /nfs/dbraw/zinc/99/84/25/1382998425.db2.gz CNIFVXJRWYGLLH-ZDUSSCGKSA-N 0 3 326.381 3.461 20 5 EGBDHN O=C(C=C1CCC1)NCCC1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC001164036442 1383149076 /nfs/dbraw/zinc/14/90/76/1383149076.db2.gz MEIRQXBSIRZFBV-UHFFFAOYSA-N 0 3 349.456 3.143 20 5 EGBDHN Cc1cc(CN(Cc2ccccc2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)on1 ZINC001169039233 1384098182 /nfs/dbraw/zinc/09/81/82/1384098182.db2.gz OMLFFSLHQWHWID-IAGOWNOFSA-N 0 3 329.400 3.431 20 5 EGBDHN COc1ccc(C[C@@H](C)N[C@H](C)c2ccc(F)cn2)c([N+](=O)[O-])c1 ZINC001170307467 1384287278 /nfs/dbraw/zinc/28/72/78/1384287278.db2.gz GEHWQCHXICEISD-VXGBXAGGSA-N 0 3 333.363 3.419 20 5 EGBDHN COc1ccc(C[C@@H](C)N[C@@H]2COc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC001170311360 1384287978 /nfs/dbraw/zinc/28/79/78/1384287978.db2.gz AYJXHOMWRLJTFB-BDJLRTHQSA-N 0 3 346.358 3.397 20 5 EGBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001170682093 1384364751 /nfs/dbraw/zinc/36/47/51/1384364751.db2.gz KIJNOTKGAIIKFV-LBPRGKRZSA-N 0 3 348.366 3.115 20 5 EGBDHN Cc1noc([C@@H]2CCCN2[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172920948 1384879118 /nfs/dbraw/zinc/87/91/18/1384879118.db2.gz MOORJEJMBQJCRB-RDJZCZTQSA-N 0 3 342.399 3.371 20 5 EGBDHN CCc1noc(C2CCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001173232863 1384941418 /nfs/dbraw/zinc/94/14/18/1384941418.db2.gz INXFNDBCITVPNR-CYBMUJFWSA-N 0 3 344.415 3.351 20 5 EGBDHN CCCN1CCCC[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001319245945 1386023760 /nfs/dbraw/zinc/02/37/60/1386023760.db2.gz QCEWMOGGOOBIBV-HNNXBMFYSA-N 0 3 339.823 3.129 20 5 EGBDHN CN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1CCCCCC1 ZINC001753174473 1440336502 /nfs/dbraw/zinc/33/65/02/1440336502.db2.gz FQCZOLZJXUZNJL-UHFFFAOYSA-N 0 3 333.432 3.113 20 5 EGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000055400757 214318641 /nfs/dbraw/zinc/31/86/41/214318641.db2.gz XTSAXZMQGWDFGC-VXGBXAGGSA-N 0 3 339.823 3.098 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN[C@@H](CCCO)c2ccccc2)c1 ZINC000179735672 233379045 /nfs/dbraw/zinc/37/90/45/233379045.db2.gz HMENPSNMXJDVSK-SFHVURJKSA-N 0 3 330.384 3.077 20 5 EGBDHN COc1ccc2oc([C@H](C)NCCn3cc([N+](=O)[O-])cn3)c(C)c2c1 ZINC000181442775 234188639 /nfs/dbraw/zinc/18/86/39/234188639.db2.gz IHNPDKUIRXULAI-LBPRGKRZSA-N 0 3 344.371 3.205 20 5 EGBDHN CC[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCS1 ZINC000072861970 216320560 /nfs/dbraw/zinc/32/05/60/216320560.db2.gz GWAJCSKNIQCBSB-AWEZNQCLSA-N 0 3 337.445 3.059 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc3c(c1)OCO3)CCC2 ZINC000192593417 239794959 /nfs/dbraw/zinc/79/49/59/239794959.db2.gz LBYVNMIVJDVPRU-INIZCTEOSA-N 0 3 326.352 3.491 20 5 EGBDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000236737548 242341963 /nfs/dbraw/zinc/34/19/63/242341963.db2.gz RFEUKWPZBOFKPH-AWEZNQCLSA-N 0 3 333.413 3.210 20 5 EGBDHN CCCC(=O)NC[C@@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266560137 248360431 /nfs/dbraw/zinc/36/04/31/248360431.db2.gz XCUCQNCBTNREOB-CABCVRRESA-N 0 3 333.432 3.284 20 5 EGBDHN CC(=O)N1CC[C@@H](CN(C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000092101077 218119592 /nfs/dbraw/zinc/11/95/92/218119592.db2.gz GBCCZYLLJGGVNQ-INIZCTEOSA-N 0 3 333.432 3.018 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C ZINC000376397350 291824261 /nfs/dbraw/zinc/82/42/61/291824261.db2.gz RESBUESZTWFZMW-GOEBONIOSA-N 0 3 345.443 3.219 20 5 EGBDHN CC(C)(C(=O)Nc1ccc2c(c1)CNCC2)c1ccc([N+](=O)[O-])cc1 ZINC000269244861 255551801 /nfs/dbraw/zinc/55/18/01/255551801.db2.gz ZFOCQPACUDUGGG-UHFFFAOYSA-N 0 3 339.395 3.157 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@H](C)[C@@H]1C ZINC000118414572 221147902 /nfs/dbraw/zinc/14/79/02/221147902.db2.gz QJGTYLWBSYQZGM-QWHCGFSZSA-N 0 3 337.445 3.058 20 5 EGBDHN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000187168264 533299520 /nfs/dbraw/zinc/29/95/20/533299520.db2.gz DTJOLRVGDKVWFG-CXAGYDPISA-N 0 3 327.384 3.016 20 5 EGBDHN C[C@@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)c1ccccc1 ZINC000181526459 533344303 /nfs/dbraw/zinc/34/43/03/533344303.db2.gz SXAVMVCGYCEQJA-LSDHHAIUSA-N 0 3 341.411 3.339 20 5 EGBDHN CCCN(CCN1CCCCCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000346250631 141185965 /nfs/dbraw/zinc/18/59/65/141185965.db2.gz IFDDGWHLZMDESU-UHFFFAOYSA-N 0 3 333.432 3.323 20 5 EGBDHN COc1cc(CN(C[C@H](C)O)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184201043 144088910 /nfs/dbraw/zinc/08/89/10/144088910.db2.gz YUNQGUWEAMRXQQ-LBPRGKRZSA-N 0 3 340.395 3.258 20 5 EGBDHN COc1cc(CNCC2(OC)CCCCC2)c([N+](=O)[O-])cc1OC ZINC000187450632 144159185 /nfs/dbraw/zinc/15/91/85/144159185.db2.gz QLTLLDSAWZLTCW-UHFFFAOYSA-N 0 3 338.404 3.051 20 5 EGBDHN O=[N+]([O-])c1ccccc1OCCN[C@H]1CCCc2c(O)cccc21 ZINC000192362803 144173715 /nfs/dbraw/zinc/17/37/15/144173715.db2.gz PACMALPKAUNPRB-HNNXBMFYSA-N 0 3 328.368 3.346 20 5 EGBDHN NC(=O)c1ccc(CN[C@@H]2CCCCC23CCCC3)c([N+](=O)[O-])c1 ZINC000361590774 144333312 /nfs/dbraw/zinc/33/33/12/144333312.db2.gz KBGOSSCXMASOIB-MRXNPFEDSA-N 0 3 331.416 3.286 20 5 EGBDHN C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000192846964 153263613 /nfs/dbraw/zinc/26/36/13/153263613.db2.gz IOUXEQLDOVKNBN-VXGBXAGGSA-N 0 3 328.372 3.497 20 5 EGBDHN CC[C@H](NCCNC(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000193911319 153312959 /nfs/dbraw/zinc/31/29/59/153312959.db2.gz USCOMIOTUQHDGE-SFHVURJKSA-N 0 3 341.411 3.374 20 5 EGBDHN C[C@H](O)CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000304107584 154067155 /nfs/dbraw/zinc/06/71/55/154067155.db2.gz DDYKGYBVIFDKLQ-LBPRGKRZSA-N 0 3 334.347 3.387 20 5 EGBDHN Cn1c(C(=O)Nc2cccc(CN3CCCCC3)c2)ccc1[N+](=O)[O-] ZINC000345484769 156125897 /nfs/dbraw/zinc/12/58/97/156125897.db2.gz IBGCDISJNUQMGR-UHFFFAOYSA-N 0 3 342.399 3.172 20 5 EGBDHN COc1cccc([C@H](CNc2nc(C)ccc2[N+](=O)[O-])N(C)C)c1 ZINC000128902575 162340267 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CC[C@H](C)N[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000359547723 167187972 /nfs/dbraw/zinc/18/79/72/167187972.db2.gz SLVWGKFWUHBCOB-JQWIXIFHSA-N 0 3 337.401 3.109 20 5 EGBDHN CC[C@H](C)N[C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000359567269 167196155 /nfs/dbraw/zinc/19/61/55/167196155.db2.gz WTYIFLSFVUJBKK-DZGCQCFKSA-N 0 3 345.399 3.355 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccco1 ZINC000359567016 167196540 /nfs/dbraw/zinc/19/65/40/167196540.db2.gz WGGRWWJJDMHFFG-CJNGLKHVSA-N 0 3 345.399 3.355 20 5 EGBDHN Cc1cc(CNCc2cccc([N+](=O)[O-])c2C)ccc1-n1cncn1 ZINC000359794283 167234486 /nfs/dbraw/zinc/23/44/86/167234486.db2.gz HHYWVMSVDUCGHC-UHFFFAOYSA-N 0 3 337.383 3.082 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN2CCC(CCc3ccccc3)CC2)n1 ZINC000176200892 265162974 /nfs/dbraw/zinc/16/29/74/265162974.db2.gz WZYGEZGDSQTZFC-UHFFFAOYSA-N 0 3 328.416 3.136 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2noc(CN3C[C@@H]4CCCC[C@@H]4C3)n2)c1 ZINC000177556682 265262588 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Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000273276412 267011226 /nfs/dbraw/zinc/01/12/26/267011226.db2.gz XMKGGQSICJZACT-SFHVURJKSA-N 0 3 341.411 3.082 20 5 EGBDHN C[C@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])N(C)C ZINC000278468663 268019958 /nfs/dbraw/zinc/01/99/58/268019958.db2.gz NKSNFWHTNGOBCQ-SSDOTTSWSA-N 0 3 342.268 3.006 20 5 EGBDHN C[C@@H](CNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-])N(C)C ZINC000278468666 268020208 /nfs/dbraw/zinc/02/02/08/268020208.db2.gz NKSNFWHTNGOBCQ-ZETCQYMHSA-N 0 3 342.268 3.006 20 5 EGBDHN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@]1(CO)Cc1ccccc1 ZINC000355741563 275039369 /nfs/dbraw/zinc/03/93/69/275039369.db2.gz ZULSMEHLRPVXHV-IBGZPJMESA-N 0 3 344.386 3.304 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1ccco1 ZINC000069070441 275150893 /nfs/dbraw/zinc/15/08/93/275150893.db2.gz BCXOWJSRQIIBFR-LBPRGKRZSA-N 0 3 347.371 3.218 20 5 EGBDHN CCC(=O)c1ccc(NC2CCN(CCCOC)CC2)c([N+](=O)[O-])c1 ZINC000280735243 275489153 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CN1CCCC(C)(C)[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000344610547 277041351 /nfs/dbraw/zinc/04/13/51/277041351.db2.gz HNBMIUQCFWIQKX-CYBMUJFWSA-N 0 3 339.823 3.098 20 5 EGBDHN Cc1c2ccccc2oc1[C@H](C)NCCn1cc([N+](=O)[O-])ccc1=O ZINC000183630049 280274309 /nfs/dbraw/zinc/27/43/09/280274309.db2.gz PXIBWHHSIPHRAC-ZDUSSCGKSA-N 0 3 341.367 3.162 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)c1 ZINC000151968140 281008561 /nfs/dbraw/zinc/00/85/61/281008561.db2.gz BQDNUESHCXYROY-KRWDZBQOSA-N 0 3 341.411 3.456 20 5 EGBDHN Cc1cccc(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000151948455 281193951 /nfs/dbraw/zinc/19/39/51/281193951.db2.gz SHHABAFMYSJFDV-KRWDZBQOSA-N 0 3 341.411 3.456 20 5 EGBDHN CCCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000072950220 307383261 /nfs/dbraw/zinc/38/32/61/307383261.db2.gz XTWFHWPVRSEIRP-UHFFFAOYSA-N 0 3 325.796 3.309 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(NC(N)=O)cc1 ZINC000130927450 307636229 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3.423 20 5 EGBDHN C[C@H](c1ccccc1)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413064238 309014170 /nfs/dbraw/zinc/01/41/70/309014170.db2.gz BTJXNAYJMFEKKE-TZMCWYRMSA-N 0 3 330.363 3.376 20 5 EGBDHN CCn1cccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1=O ZINC000417334289 309202093 /nfs/dbraw/zinc/20/20/93/309202093.db2.gz RGRZCFMRISDIEX-SFHVURJKSA-N 0 3 341.411 3.334 20 5 EGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2COCc3ccccc32)n1 ZINC000417359270 309202923 /nfs/dbraw/zinc/20/29/23/309202923.db2.gz IJPHBZVIKBBZCC-YESZJQIVSA-N 0 3 342.399 3.136 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000421436818 309324602 /nfs/dbraw/zinc/32/46/02/309324602.db2.gz XEPKTQMDFUWKSQ-LSDHHAIUSA-N 0 3 333.432 3.204 20 5 EGBDHN O=[N+]([O-])c1ccccc1CNCC1(CO)CC(c2ccccc2)C1 ZINC000433208550 309682372 /nfs/dbraw/zinc/68/23/72/309682372.db2.gz UQLHEEGWHDZSIS-UHFFFAOYSA-N 0 3 326.396 3.241 20 5 EGBDHN C[C@@H](Cc1ccc(F)cc1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446830316 309968822 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20 5 EGBDHN O=C(CN[C@@H]1CCC12CCCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451455886 310179261 /nfs/dbraw/zinc/17/92/61/310179261.db2.gz KIXXNCYZCJYZOU-CQSZACIVSA-N 0 3 337.807 3.499 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCSC[C@H]1C1CC1 ZINC000451645629 310190828 /nfs/dbraw/zinc/19/08/28/310190828.db2.gz BIYZJJFBORTPMD-INIZCTEOSA-N 0 3 349.456 3.059 20 5 EGBDHN O=[N+]([O-])c1ccccc1CNC1(Cc2ccccc2)CCOCC1 ZINC000451941912 310204477 /nfs/dbraw/zinc/20/44/77/310204477.db2.gz QGCYHVJSHPHAAT-UHFFFAOYSA-N 0 3 326.396 3.476 20 5 EGBDHN CON1CCC(N(C)Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000453630202 310285846 /nfs/dbraw/zinc/28/58/46/310285846.db2.gz YFHSQLNURIFGCJ-UHFFFAOYSA-N 0 3 345.399 3.312 20 5 EGBDHN COc1ccc(NC(=O)CN[C@H]2CCC(C)(C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000481085902 310905820 /nfs/dbraw/zinc/90/58/20/310905820.db2.gz BGQJYPPQWRXRBE-JSGCOSHPSA-N 0 3 349.431 3.346 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000481169880 310907465 /nfs/dbraw/zinc/90/74/65/310907465.db2.gz JLOJUONXMMWMLO-WBVHZDCISA-N 0 3 328.412 3.405 20 5 EGBDHN CCC[C@H](NCC1(C(=O)NCC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000488488455 311068161 /nfs/dbraw/zinc/06/81/61/311068161.db2.gz QYKNBYULYXTOHB-INIZCTEOSA-N 0 3 333.432 3.332 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3CCn4ccnc4C3)o2)c1 ZINC000494444968 311478568 /nfs/dbraw/zinc/47/85/68/311478568.db2.gz OJXYXLQSKXTIEH-AWEZNQCLSA-N 0 3 338.367 3.156 20 5 EGBDHN Cc1cscc1CN[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000494490401 311483225 /nfs/dbraw/zinc/48/32/25/311483225.db2.gz CLDZPXOCEPMTIW-LBPRGKRZSA-N 0 3 333.413 3.472 20 5 EGBDHN COc1ccc([C@@H]2CCN(CCOc3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000504503672 312006941 /nfs/dbraw/zinc/00/69/41/312006941.db2.gz NNNLHMAEQULIDI-MRXNPFEDSA-N 0 3 342.395 3.472 20 5 EGBDHN CCN(C)CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000507947071 312085649 /nfs/dbraw/zinc/08/56/49/312085649.db2.gz WQEOCJYUGJNPID-UHFFFAOYSA-N 0 3 342.443 3.404 20 5 EGBDHN CCC(CC)Nc1ccncc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000514818392 312246774 /nfs/dbraw/zinc/24/67/74/312246774.db2.gz RWBYUOQGYSGQEK-UHFFFAOYSA-N 0 3 328.372 3.265 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000515425579 312282253 /nfs/dbraw/zinc/28/22/53/312282253.db2.gz CYEFAWGAAZQYGN-SFHVURJKSA-N 0 3 346.431 3.161 20 5 EGBDHN CC[C@H](NCCC(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000538615215 314258260 /nfs/dbraw/zinc/25/82/60/314258260.db2.gz PYIUHGLEQIHFHE-HNNXBMFYSA-N 0 3 328.372 3.059 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(OCCO)cc1 ZINC000539073070 314294389 /nfs/dbraw/zinc/29/43/89/314294389.db2.gz XBKXODOAUMVIER-CQSZACIVSA-N 0 3 330.384 3.125 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(OCCO)cc1 ZINC000539073065 314294781 /nfs/dbraw/zinc/29/47/81/314294781.db2.gz XBKXODOAUMVIER-AWEZNQCLSA-N 0 3 330.384 3.125 20 5 EGBDHN CC(C)n1cc([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000543503407 314633961 /nfs/dbraw/zinc/63/39/61/314633961.db2.gz PBBNBDFOTKBILV-CYBMUJFWSA-N 0 3 345.403 3.052 20 5 EGBDHN Cc1cccc(NCc2ccccc2OCCN(C)C)c1[N+](=O)[O-] ZINC000549122170 315076912 /nfs/dbraw/zinc/07/69/12/315076912.db2.gz MZDXZBYOPZWRFK-UHFFFAOYSA-N 0 3 329.400 3.456 20 5 EGBDHN CC[C@@H](C)[C@H](C)N(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000554331057 315310451 /nfs/dbraw/zinc/31/04/51/315310451.db2.gz HZSHDIXPJFVNCS-KGLIPLIRSA-N 0 3 345.443 3.383 20 5 EGBDHN CC[C@H](C)[C@@H](C)N(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000554331058 315310529 /nfs/dbraw/zinc/31/05/29/315310529.db2.gz HZSHDIXPJFVNCS-UONOGXRCSA-N 0 3 345.443 3.383 20 5 EGBDHN CC(C)N(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000554525803 315327977 /nfs/dbraw/zinc/32/79/77/315327977.db2.gz GYCZMXUPPGTQTB-UHFFFAOYSA-N 0 3 342.399 3.229 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCc1cn2c(n1)SCC2 ZINC000558681182 315591779 /nfs/dbraw/zinc/59/17/79/315591779.db2.gz FYYDFASCWMVPHL-LBPRGKRZSA-N 0 3 332.429 3.099 20 5 EGBDHN C[C@H]1CCC[C@]1(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000559353833 315630145 /nfs/dbraw/zinc/63/01/45/315630145.db2.gz YAKGBWDXNIAAFS-UGSOOPFHSA-N 0 3 330.384 3.496 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(C(C)(C)C)CC1 ZINC000564444968 316153476 /nfs/dbraw/zinc/15/34/76/316153476.db2.gz WGJLPRGOTJILSD-UHFFFAOYSA-N 0 3 348.447 3.495 20 5 EGBDHN COc1ccc(F)cc1[C@H](C)NCCOc1ccccc1[N+](=O)[O-] ZINC000179947298 323414904 /nfs/dbraw/zinc/41/49/04/323414904.db2.gz GFXFNQJIRIRTSD-LBPRGKRZSA-N 0 3 334.347 3.472 20 5 EGBDHN CO[C@H](c1ccccc1)[C@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000579065588 325055313 /nfs/dbraw/zinc/05/53/13/325055313.db2.gz AEMVOCYNXLSVJF-KSSFIOAISA-N 0 3 330.384 3.339 20 5 EGBDHN CN1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C(C)(C)C1 ZINC000339060283 456921869 /nfs/dbraw/zinc/92/18/69/456921869.db2.gz OYNAFPITXSUKJQ-UHFFFAOYSA-N 0 3 331.338 3.140 20 5 EGBDHN Cc1ccc([C@@H](CNCc2ccccc2[N+](=O)[O-])N2CCCC2)o1 ZINC000237887149 455228484 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CCOc1ccc(NC(=O)CN(CC(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000029724085 453830816 /nfs/dbraw/zinc/83/08/16/453830816.db2.gz XGJJBSJBCFRAOV-UHFFFAOYSA-N 0 3 337.420 3.298 20 5 EGBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000054226733 453917236 /nfs/dbraw/zinc/91/72/36/453917236.db2.gz ZJSQUUKVRZLPMN-ZBFHGGJFSA-N 0 3 339.395 3.160 20 5 EGBDHN COc1cccc([C@H](CNc2ncccc2[N+](=O)[O-])N2CCCC2)c1 ZINC000067948784 453983107 /nfs/dbraw/zinc/98/31/07/453983107.db2.gz VONFPHNLLOFLBJ-KRWDZBQOSA-N 0 3 342.399 3.247 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCNCC2=Cc3ccccc3OC2)cc1 ZINC000068989395 454070634 /nfs/dbraw/zinc/07/06/34/454070634.db2.gz ZXVUFFXNBMRCGT-UHFFFAOYSA-N 0 3 326.352 3.039 20 5 EGBDHN CN(CCOCC1CC1)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000088601017 454114269 /nfs/dbraw/zinc/11/42/69/454114269.db2.gz JMWVDIIUCBACPX-UHFFFAOYSA-N 0 3 345.399 3.151 20 5 EGBDHN CC(=O)c1ccc(N2CCCN(C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000077994936 454175190 /nfs/dbraw/zinc/17/51/90/454175190.db2.gz SMDDQTZJBFTKNP-UHFFFAOYSA-N 0 3 331.416 3.252 20 5 EGBDHN Cc1cnc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078674999 454296188 /nfs/dbraw/zinc/29/61/88/454296188.db2.gz GFXMGCWIVJUCSX-QGZVFWFLSA-N 0 3 340.427 3.257 20 5 EGBDHN COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)N2CCCC2)c1 ZINC000072672741 454325881 /nfs/dbraw/zinc/32/58/81/454325881.db2.gz AXJHFKWIUQVXSM-QGZVFWFLSA-N 0 3 342.399 3.247 20 5 EGBDHN Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])N(C)C)cc1 ZINC000133732916 454461148 /nfs/dbraw/zinc/46/11/48/454461148.db2.gz RFPGPMKSCLGCSC-KRWDZBQOSA-N 0 3 345.374 3.075 20 5 EGBDHN O=[N+]([O-])c1cccnc1NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000065202005 454537487 /nfs/dbraw/zinc/53/74/87/454537487.db2.gz GKEREFTUIGPKBU-INIZCTEOSA-N 0 3 326.400 3.314 20 5 EGBDHN C[C@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000123741663 454670745 /nfs/dbraw/zinc/67/07/45/454670745.db2.gz PUABWFAUTZVNDQ-WMLDXEAASA-N 0 3 345.443 3.427 20 5 EGBDHN CC(=O)N1CC[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000152949614 454745890 /nfs/dbraw/zinc/74/58/90/454745890.db2.gz JNMXFEYYGJOFKL-CYBMUJFWSA-N 0 3 345.424 3.034 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000125807131 454848736 /nfs/dbraw/zinc/84/87/36/454848736.db2.gz FJRNVPALXRCWQX-RYUDHWBXSA-N 0 3 331.338 3.190 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(NC2CCN(CCc3ccccc3)CC2)n1 ZINC000178170841 454940644 /nfs/dbraw/zinc/94/06/44/454940644.db2.gz VMZUHOYRZJBDEU-UHFFFAOYSA-N 0 3 340.427 3.417 20 5 EGBDHN COC(=O)[C@H](C)CN(C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000114063783 454944839 /nfs/dbraw/zinc/94/48/39/454944839.db2.gz MAVSTMBREPVBNI-CYBMUJFWSA-N 0 3 339.391 3.187 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1cccnc1 ZINC000127686267 454987752 /nfs/dbraw/zinc/98/77/52/454987752.db2.gz YVPDSANFTPEBJK-AWEZNQCLSA-N 0 3 342.399 3.320 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC(C)C)C1CCN(C)CC1 ZINC000127820027 455000878 /nfs/dbraw/zinc/00/08/78/455000878.db2.gz HCQDMCDLQILELY-UHFFFAOYSA-N 0 3 333.432 3.096 20 5 EGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC1CCOCC1 ZINC000156098449 455081328 /nfs/dbraw/zinc/08/13/28/455081328.db2.gz SBVNPFIYVFVYOH-LBPRGKRZSA-N 0 3 346.387 3.064 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCc3cccc(F)c3)C2)nc1 ZINC000182877947 455182716 /nfs/dbraw/zinc/18/27/16/455182716.db2.gz OTPGOZNJGCOWHP-MRXNPFEDSA-N 0 3 344.390 3.248 20 5 EGBDHN CCCN(CCc1cccs1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000184512450 455394019 /nfs/dbraw/zinc/39/40/19/455394019.db2.gz FWPCGSSEULSJPY-UHFFFAOYSA-N 0 3 347.440 3.210 20 5 EGBDHN Cc1cc(C)cc([C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182416607 455509961 /nfs/dbraw/zinc/50/99/61/455509961.db2.gz FDCCAGCWKAKMKZ-WBVHZDCISA-N 0 3 344.411 3.302 20 5 EGBDHN C[C@H](O)[C@](C)(CNCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000191710023 455512151 /nfs/dbraw/zinc/51/21/51/455512151.db2.gz HUXYUCCQODMAST-KXBFYZLASA-N 0 3 328.412 3.314 20 5 EGBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000161170332 455543046 /nfs/dbraw/zinc/54/30/46/455543046.db2.gz GGBVPROSVUDAAZ-GWCFXTLKSA-N 0 3 331.338 3.390 20 5 EGBDHN CCCNC(=O)C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182611662 455553323 /nfs/dbraw/zinc/55/33/23/455553323.db2.gz WFQIZKVQCIGHEV-AWEZNQCLSA-N 0 3 333.432 3.202 20 5 EGBDHN C[C@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000271321049 455596799 /nfs/dbraw/zinc/59/67/99/455596799.db2.gz YFSPLFPFVGPUST-AAEUAGOBSA-N 0 3 333.413 3.375 20 5 EGBDHN COc1ccc(NC(=O)CN(C)[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000192622828 455656357 /nfs/dbraw/zinc/65/63/57/455656357.db2.gz PLQGTCRBDGPDKG-IUODEOHRSA-N 0 3 335.404 3.052 20 5 EGBDHN C[C@H]1CN(CCCNc2ccc([N+](=O)[O-])c3cccnc23)CCCO1 ZINC000277847332 455683694 /nfs/dbraw/zinc/68/36/94/455683694.db2.gz CDVLKVBSQBKQFR-AWEZNQCLSA-N 0 3 344.415 3.056 20 5 EGBDHN COc1cccc([C@H](O)CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192852875 455706982 /nfs/dbraw/zinc/70/69/82/455706982.db2.gz VQUYXKDBZIDICN-RBUKOAKNSA-N 0 3 342.395 3.304 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194026865 455792413 /nfs/dbraw/zinc/79/24/13/455792413.db2.gz NPKBURFQORNZGI-HYVNUMGLSA-N 0 3 332.400 3.041 20 5 EGBDHN CCOc1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1OC ZINC000285342060 455826447 /nfs/dbraw/zinc/82/64/47/455826447.db2.gz UWRAWGMUCQMMKM-GFCCVEGCSA-N 0 3 345.399 3.435 20 5 EGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000187019404 455863626 /nfs/dbraw/zinc/86/36/26/455863626.db2.gz ZZWLKYYFCOFNRO-INIZCTEOSA-N 0 3 347.459 3.106 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000194673980 455871738 /nfs/dbraw/zinc/87/17/38/455871738.db2.gz NEZAFJMAENUZNT-OAHLLOKOSA-N 0 3 341.411 3.154 20 5 EGBDHN CCS[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285697835 455899117 /nfs/dbraw/zinc/89/91/17/455899117.db2.gz COHGFVDZSDWASF-NILFDRSVSA-N 0 3 337.445 3.186 20 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EGBDHN CN(C[C@H]1CCN(C)[C@@H]1c1cccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000343015480 456357569 /nfs/dbraw/zinc/35/75/69/456357569.db2.gz MPDOHQZBEFHGSR-RHSMWYFYSA-N 0 3 344.390 3.258 20 5 EGBDHN CN(C[C@@H]1CCCN(C)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000303736299 456482360 /nfs/dbraw/zinc/48/23/60/456482360.db2.gz WRYBCKAIBMHAHZ-LLVKDONJSA-N 0 3 331.338 3.392 20 5 EGBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H](N2CCCCC2)C1 ZINC000276562601 456516183 /nfs/dbraw/zinc/51/61/83/456516183.db2.gz GNRYWASLMORXLS-OAHLLOKOSA-N 0 3 326.400 3.208 20 5 EGBDHN CN(C(=O)CNC(C)(C)c1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000348416556 456676381 /nfs/dbraw/zinc/67/63/81/456676381.db2.gz SBLHTGZXNPAMGF-UHFFFAOYSA-N 0 3 333.413 3.144 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN(C)CCCN(C)Cc1ccco1 ZINC000353549932 456752027 /nfs/dbraw/zinc/75/20/27/456752027.db2.gz LQGWYCATQRMMSP-UHFFFAOYSA-N 0 3 347.415 3.150 20 5 EGBDHN CCCN(CCN1CCN(CC)CC1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344162851 456803166 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20 5 EGBDHN Cc1ccc(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845881877 1321750132 /nfs/dbraw/zinc/75/01/32/1321750132.db2.gz MPMYHHWLIYZWSF-SJKOYZFVSA-N 0 3 332.331 3.021 20 5 EGBDHN CCc1cccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845883819 1321751371 /nfs/dbraw/zinc/75/13/71/1321751371.db2.gz WFAFQXAUZJSYHJ-ZBEGNZNMSA-N 0 3 332.331 3.346 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CSCCS1 ZINC000850439260 1322249764 /nfs/dbraw/zinc/24/97/64/1322249764.db2.gz GSZFCFZTAQNFDG-ZYHUDNBSSA-N 0 3 328.459 3.103 20 5 EGBDHN C[C@H](CN(C)C(=O)OC(C)(C)C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000850578473 1322271580 /nfs/dbraw/zinc/27/15/80/1322271580.db2.gz LMHGJVZHGYXWNV-DOMZBBRYSA-N 0 3 349.431 3.427 20 5 EGBDHN C[C@@H](NCCOC(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932176706 1329791149 /nfs/dbraw/zinc/79/11/49/1329791149.db2.gz AEPQNOLHOUMIJY-CQSZACIVSA-N 0 3 328.368 3.031 20 5 EGBDHN C/C=C(\C)C(=O)N1CCC(CN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029954247 1341133595 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CCN1CCC(N(C)C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001165069208 1383221759 /nfs/dbraw/zinc/22/17/59/1383221759.db2.gz YHIOJNQAXAYNJD-UHFFFAOYSA-N 0 3 348.781 3.109 20 5 EGBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2csc(-c3cccc(F)c3)n2)C1 ZINC001169003595 1384085056 /nfs/dbraw/zinc/08/50/56/1384085056.db2.gz OMRQVGAUNQYDFR-RISCZKNCSA-N 0 3 335.404 3.484 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](NCc1nccnc1Cl)CC2 ZINC001172897370 1384873522 /nfs/dbraw/zinc/87/35/22/1384873522.db2.gz ZWNLVJVLBMIENI-CYBMUJFWSA-N 0 3 332.791 3.075 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[C@@H]3CCCO[C@H]3C1)CC2 ZINC001172905612 1384875435 /nfs/dbraw/zinc/87/54/35/1384875435.db2.gz SRFMRDDWQVUZLV-WDYCEAGBSA-N 0 3 330.428 3.343 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccn(CC(F)(F)F)n1 ZINC001173223243 1384939179 /nfs/dbraw/zinc/93/91/79/1384939179.db2.gz HIMRCRPRLLXKDB-LLVKDONJSA-N 0 3 342.321 3.074 20 5 EGBDHN Cc1cccc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c1C ZINC001175071381 1385189470 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C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)[C@@H](C)CN1C ZINC000485417184 719255164 /nfs/dbraw/zinc/25/51/64/719255164.db2.gz PRXNVKDCVUUWLO-OLZOCXBDSA-N 0 3 344.390 3.325 20 5 EGBDHN CCN1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000037131156 213134891 /nfs/dbraw/zinc/13/48/91/213134891.db2.gz CMDKIQFLYONNBG-UHFFFAOYSA-N 0 3 328.210 3.254 20 5 EGBDHN CCCN(CCN1CCCCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000345355929 283255903 /nfs/dbraw/zinc/25/59/03/283255903.db2.gz SMFUMPVZHZIVNP-UHFFFAOYSA-N 0 3 333.432 3.323 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H](c2ccccc2)C2CC2)c1 ZINC000023678831 212389303 /nfs/dbraw/zinc/38/93/03/212389303.db2.gz ZNSVXXABKYUTSF-MJGOQNOKSA-N 0 3 342.395 3.075 20 5 EGBDHN CC(C)c1ccc([C@H](N)CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000236779664 242353553 /nfs/dbraw/zinc/35/35/53/242353553.db2.gz RFEUKWPZBOFKPH-CQSZACIVSA-N 0 3 333.413 3.210 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCS[C@@H](C)[C@H]1C ZINC000246410460 243247334 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EGBDHN C[S@@](=O)CCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000116918279 152081808 /nfs/dbraw/zinc/08/18/08/152081808.db2.gz HDUMCIPTYTXYLG-QFIPXVFZSA-N 0 3 338.454 3.182 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3C[C@@H]4OCCC[C@H]34)cs2)c1 ZINC000190329183 153131815 /nfs/dbraw/zinc/13/18/15/153131815.db2.gz ASUQWYPUUDLFNU-OAGGEKHMSA-N 0 3 345.424 3.375 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CCC(OC3CCCC3)CC2)c1 ZINC000195326720 153393794 /nfs/dbraw/zinc/39/37/94/153393794.db2.gz IYGPWPNBAZWOAC-UHFFFAOYSA-N 0 3 334.416 3.397 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCOCC2(CCOCC2)C1 ZINC000184088416 292295368 /nfs/dbraw/zinc/29/53/68/292295368.db2.gz PHSPSNFSWDEJFT-OAHLLOKOSA-N 0 3 334.416 3.093 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)cnc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309678245 154139421 /nfs/dbraw/zinc/13/94/21/154139421.db2.gz XYYAACPZURUVSU-CQSZACIVSA-N 0 3 332.791 3.330 20 5 EGBDHN COc1cc(CN[C@@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])cc1F ZINC000337394227 154329889 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Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000177550270 265262763 /nfs/dbraw/zinc/26/27/63/265262763.db2.gz RRJYFOBSEXPQNS-SOUVJXGZSA-N 0 3 331.416 3.352 20 5 EGBDHN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179499219 265380258 /nfs/dbraw/zinc/38/02/58/265380258.db2.gz NFOAFJHFKDBARG-LBPRGKRZSA-N 0 3 345.378 3.109 20 5 EGBDHN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179499219 265380263 /nfs/dbraw/zinc/38/02/63/265380263.db2.gz NFOAFJHFKDBARG-LBPRGKRZSA-N 0 3 345.378 3.109 20 5 EGBDHN COc1ccc([C@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000269650274 266333691 /nfs/dbraw/zinc/33/36/91/266333691.db2.gz MBBKTRKGFNRQNY-LPHOPBHVSA-N 0 3 342.395 3.126 20 5 EGBDHN CC(C)=CCC[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273380084 267030569 /nfs/dbraw/zinc/03/05/69/267030569.db2.gz CAKPQUVUHXAEPN-CQSZACIVSA-N 0 3 340.445 3.093 20 5 EGBDHN Cc1ccc([C@@H](CNC(=O)c2c(C)cccc2[N+](=O)[O-])N(C)C)cc1 ZINC000194494245 274756788 /nfs/dbraw/zinc/75/67/88/274756788.db2.gz RTTUHUFQCSJIJR-QGZVFWFLSA-N 0 3 341.411 3.244 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN2CCC[C@H](c3ccc(F)cc3)CC2)n1 ZINC000351202653 275040521 /nfs/dbraw/zinc/04/05/21/275040521.db2.gz MLVKCRYZTORPBY-AWEZNQCLSA-N 0 3 332.379 3.200 20 5 EGBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000090795073 275153500 /nfs/dbraw/zinc/15/35/00/275153500.db2.gz LMFPUPIBWRLKLS-UWVGGRQHSA-N 0 3 328.210 3.252 20 5 EGBDHN CN(CCn1ccc([N+](=O)[O-])n1)C1c2ccccc2-c2ccccc21 ZINC000176432338 275200276 /nfs/dbraw/zinc/20/02/76/275200276.db2.gz SVUZDGKASOFMTO-UHFFFAOYSA-N 0 3 334.379 3.493 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000280007924 275390026 /nfs/dbraw/zinc/39/00/26/275390026.db2.gz LQLHELXDUTWVCB-KBXCAEBGSA-N 0 3 341.411 3.324 20 5 EGBDHN COc1cc(C[NH2+]C[C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1[O-] ZINC000281938112 275590084 /nfs/dbraw/zinc/59/00/84/275590084.db2.gz HTGZDSFWCNHXTG-JTQLQIEISA-N 0 3 330.331 3.224 20 5 EGBDHN CO[C@](C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000291073450 276584910 /nfs/dbraw/zinc/58/49/10/276584910.db2.gz SFNYTOUJMWQNEU-OAHLLOKOSA-N 0 3 330.331 3.101 20 5 EGBDHN CC(C)c1ccc(C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000190063361 278033465 /nfs/dbraw/zinc/03/34/65/278033465.db2.gz OUVDJAXLWHQWRP-JSGCOSHPSA-N 0 3 331.416 3.073 20 5 EGBDHN C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@@H]1C ZINC000352707423 278151262 /nfs/dbraw/zinc/15/12/62/278151262.db2.gz AXUKTXVABLAIMY-OWCLPIDISA-N 0 3 347.459 3.295 20 5 EGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1)N(C)C ZINC000357845391 281360669 /nfs/dbraw/zinc/36/06/69/281360669.db2.gz CQCMJGXJLADJNO-MLGOLLRUSA-N 0 3 347.440 3.386 20 5 EGBDHN CO[C@@H]1COC[C@@H]1N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414175581 309064707 /nfs/dbraw/zinc/06/47/07/309064707.db2.gz CKYHSJQXIZGNNN-CORIIIEPSA-N 0 3 348.424 3.388 20 5 EGBDHN Cc1ccc([C@H](C)NCCNC(=O)CC2CCCC2)cc1[N+](=O)[O-] ZINC000153651203 307777843 /nfs/dbraw/zinc/77/78/43/307777843.db2.gz GQIBMNILDNXJOR-AWEZNQCLSA-N 0 3 333.432 3.250 20 5 EGBDHN C[C@H](C[C@H](O)c1ccccc1)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294776647 308255853 /nfs/dbraw/zinc/25/58/53/308255853.db2.gz NONXHMUCIFZRJS-VFVRVIDISA-N 0 3 329.400 3.340 20 5 EGBDHN Cc1nc(NC[C@@H]2CCCN(Cc3cccs3)C2)ncc1[N+](=O)[O-] ZINC000295423732 308325530 /nfs/dbraw/zinc/32/55/30/308325530.db2.gz FFJYVKFDVXLHEG-ZDUSSCGKSA-N 0 3 347.444 3.079 20 5 EGBDHN CC[C@](CNCc1csc([N+](=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000414590062 309091005 /nfs/dbraw/zinc/09/10/05/309091005.db2.gz QUJKHNISNHLQQP-QGZVFWFLSA-N 0 3 348.424 3.267 20 5 EGBDHN C[C@H](CC(=O)N1CCCCCC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296059806 308389308 /nfs/dbraw/zinc/38/93/08/308389308.db2.gz PGZZKZMQIJKDCW-CABCVRRESA-N 0 3 333.432 3.427 20 5 EGBDHN CC[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])N1CCCC1 ZINC000301699347 308711393 /nfs/dbraw/zinc/71/13/93/308711393.db2.gz ROECGROQTONJNK-NSHDSACASA-N 0 3 343.225 3.039 20 5 EGBDHN O=[N+]([O-])c1cnc(N2CCCN(CC3CCCCC3)CC2)c(F)c1 ZINC000413068170 309014443 /nfs/dbraw/zinc/01/44/43/309014443.db2.gz KUXYITDJSCZWGN-UHFFFAOYSA-N 0 3 336.411 3.221 20 5 EGBDHN CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)(C)CN1CCCC1 ZINC000416094184 309158292 /nfs/dbraw/zinc/15/82/92/309158292.db2.gz LKJMQJWKTDVRNT-UHFFFAOYSA-N 0 3 339.823 3.195 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000421457110 309325364 /nfs/dbraw/zinc/32/53/64/309325364.db2.gz RYYHEEWVMSLNDF-GOSISDBHSA-N 0 3 341.411 3.244 20 5 EGBDHN CCCNC(=O)C1(NC/C=C\c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000428090511 309542058 /nfs/dbraw/zinc/54/20/58/309542058.db2.gz LLNLTNXSBOODGD-NTMALXAHSA-N 0 3 345.443 3.427 20 5 EGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc(F)c(F)c2)n1 ZINC000447544493 309981663 /nfs/dbraw/zinc/98/16/63/309981663.db2.gz VSFJODHRVGIBOG-GJZGRUSLSA-N 0 3 336.342 3.343 20 5 EGBDHN CSc1cc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000447586987 309983268 /nfs/dbraw/zinc/98/32/68/309983268.db2.gz PMRVMUXOOIPWAH-UONOGXRCSA-N 0 3 347.444 3.182 20 5 EGBDHN CCc1nn(C)c(CC)c1CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449207572 310044602 /nfs/dbraw/zinc/04/46/02/310044602.db2.gz NBKVYYMLKXAVEE-CYBMUJFWSA-N 0 3 330.432 3.174 20 5 EGBDHN Cc1nn(C)c(C)c1CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449498810 310066973 /nfs/dbraw/zinc/06/69/73/310066973.db2.gz LEPJAUJHEFRMQC-INIZCTEOSA-N 0 3 328.416 3.325 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3c[nH]c4nccnc34)C2)cc1 ZINC000449500532 310067176 /nfs/dbraw/zinc/06/71/76/310067176.db2.gz NTAVYKNICPOKRE-AWEZNQCLSA-N 0 3 337.383 3.197 20 5 EGBDHN CC[C@@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@@H](C)O ZINC000449534612 310069767 /nfs/dbraw/zinc/06/97/67/310069767.db2.gz CMWRVFLMAVUSLT-IAQYHMDHSA-N 0 3 334.372 3.112 20 5 EGBDHN COc1cccnc1CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449745638 310083804 /nfs/dbraw/zinc/08/38/04/310083804.db2.gz CQHXDTMZZGMNGH-GDBMZVCRSA-N 0 3 341.411 3.499 20 5 EGBDHN CCOc1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)ccc1[N+](=O)[O-] ZINC000450870694 310147062 /nfs/dbraw/zinc/14/70/62/310147062.db2.gz ZLLAHIHPAPEDSE-ZTFGCOKTSA-N 0 3 346.427 3.431 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN[C@H](c2ccc(F)c(Cl)c2)C2CC2)n1 ZINC000451357054 310173983 /nfs/dbraw/zinc/17/39/83/310173983.db2.gz SGKZDRGJYJPEDJ-HNNXBMFYSA-N 0 3 338.770 3.325 20 5 EGBDHN COc1ccc(NC(=O)[C@@H](C)N[C@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451451708 310179018 /nfs/dbraw/zinc/17/90/18/310179018.db2.gz BFRMBBRLWVKBIL-WBMJQRKESA-N 0 3 347.415 3.243 20 5 EGBDHN CC1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000466934617 310664094 /nfs/dbraw/zinc/66/40/94/310664094.db2.gz FEGWLPSXCQTVFQ-CQSZACIVSA-N 0 3 336.432 3.093 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC(=O)N1CCCCCC1 ZINC000468653347 310691558 /nfs/dbraw/zinc/69/15/58/310691558.db2.gz VWMNHLOVZWYZOP-SSZFMOIBSA-N 0 3 345.443 3.380 20 5 EGBDHN C[C@@H]1C[C@@H]1N1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488751550 311078545 /nfs/dbraw/zinc/07/85/45/311078545.db2.gz PRHDGGBEGKGBBN-VBQJREDUSA-N 0 3 340.427 3.310 20 5 EGBDHN CCCC[C@H]1CCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000492846903 311298543 /nfs/dbraw/zinc/29/85/43/311298543.db2.gz KNNXMUPNCFIAQH-YOEHRIQHSA-N 0 3 345.443 3.432 20 5 EGBDHN CC(C)(C(=O)NCCN1CCCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000508094877 312088567 /nfs/dbraw/zinc/08/85/67/312088567.db2.gz JFFNCPGWIYHDQH-UHFFFAOYSA-N 0 3 347.459 3.111 20 5 EGBDHN COc1ccc(C(=O)CCN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511128635 312155660 /nfs/dbraw/zinc/15/56/60/312155660.db2.gz XTBHQYAGYYLFNW-UHFFFAOYSA-N 0 3 342.395 3.351 20 5 EGBDHN COc1ccc(CN2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000515511879 312287157 /nfs/dbraw/zinc/28/71/57/312287157.db2.gz ZHTLDONHXNAMDN-UHFFFAOYSA-N 0 3 335.448 3.157 20 5 EGBDHN CNc1ccc(C(=O)Nc2cc(CN(C)C)ccc2C)cc1[N+](=O)[O-] ZINC000530659023 313569709 /nfs/dbraw/zinc/56/97/09/313569709.db2.gz SXXRNRHDQLUMNM-UHFFFAOYSA-N 0 3 342.399 3.259 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](CO)Cc1ccc(F)cc1 ZINC000552923050 315237533 /nfs/dbraw/zinc/23/75/33/315237533.db2.gz FYLHTHZZFWUQGK-XJKSGUPXSA-N 0 3 332.375 3.297 20 5 EGBDHN CC(C)c1ccc(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000560517024 315701564 /nfs/dbraw/zinc/70/15/64/315701564.db2.gz QYWXGZAZWHLEBS-GOSISDBHSA-N 0 3 344.411 3.248 20 5 EGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@@H]1CCCc2ccccc21 ZINC000564066748 316108315 /nfs/dbraw/zinc/10/83/15/316108315.db2.gz DBBNLTJOULCNCD-DOTOQJQBSA-N 0 3 342.395 3.002 20 5 EGBDHN C[C@H]1OCC[C@@]1(C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000235607498 456153047 /nfs/dbraw/zinc/15/30/47/456153047.db2.gz XPCQCRLOCHHIHH-NOZJJQNGSA-N 0 3 329.194 3.014 20 5 EGBDHN Cc1ccccc1OC[C@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181831068 323506693 /nfs/dbraw/zinc/50/66/93/323506693.db2.gz XSUMAFRWDXQCLQ-NVXWUHKLSA-N 0 3 344.411 3.302 20 5 EGBDHN CCOc1cccc2cc([C@@H](C)NCCn3cc([N+](=O)[O-])cn3)oc21 ZINC000182036153 323521276 /nfs/dbraw/zinc/52/12/76/323521276.db2.gz VIUNLRQHIKDSHY-GFCCVEGCSA-N 0 3 344.371 3.287 20 5 EGBDHN CCCC[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(OC)cc1 ZINC000182139381 323528448 /nfs/dbraw/zinc/52/84/48/323528448.db2.gz WMAJXPFWXAPIFB-MRXNPFEDSA-N 0 3 332.404 3.321 20 5 EGBDHN CCC[C@]1(NCc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000381099129 324244851 /nfs/dbraw/zinc/24/48/51/324244851.db2.gz GOGJLZQVEFGREZ-AWEZNQCLSA-N 0 3 343.221 3.406 20 5 EGBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000580425150 325248822 /nfs/dbraw/zinc/24/88/22/325248822.db2.gz OMCSGYVMBVCURJ-CYBMUJFWSA-N 0 3 344.415 3.023 20 5 EGBDHN COCCN1CCC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000580460441 325254283 /nfs/dbraw/zinc/25/42/83/325254283.db2.gz VMSFJVARLFDNRG-UHFFFAOYSA-N 0 3 348.230 3.424 20 5 EGBDHN CCN(C[C@H]1CCCN1CC)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581210059 325341745 /nfs/dbraw/zinc/34/17/45/325341745.db2.gz VFFUKWOPAWNTPS-RHSMWYFYSA-N 0 3 333.432 3.031 20 5 EGBDHN C[C@@H](C(=O)Nc1ccccc1CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000581700797 325383444 /nfs/dbraw/zinc/38/34/44/325383444.db2.gz AFEQFVINWDVXOL-CQSZACIVSA-N 0 3 341.411 3.441 20 5 EGBDHN COc1cc(CN(C)CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000352725824 457562007 /nfs/dbraw/zinc/56/20/07/457562007.db2.gz RCTJQXHFYGUDHL-UHFFFAOYSA-N 0 3 332.347 3.335 20 5 EGBDHN CC(C)(C)CN(CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590160189 459095751 /nfs/dbraw/zinc/09/57/51/459095751.db2.gz PTHCXQPLILBTOG-UHFFFAOYSA-N 0 3 334.338 3.454 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN[C@H](c2cccc(F)c2)C2CCCC2)n1 ZINC000180998723 455274650 /nfs/dbraw/zinc/27/46/50/455274650.db2.gz OUTUUJIMJLMCJY-KRWDZBQOSA-N 0 3 332.379 3.452 20 5 EGBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000016468862 453608606 /nfs/dbraw/zinc/60/86/06/453608606.db2.gz JPAJCIWHWDOFOO-GOSISDBHSA-N 0 3 341.411 3.408 20 5 EGBDHN COc1cc(CN[C@@](C)(CO)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184220763 455363856 /nfs/dbraw/zinc/36/38/56/455363856.db2.gz POPZDHWAJOOSJX-KRWDZBQOSA-N 0 3 340.395 3.163 20 5 EGBDHN COc1cccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000026221987 453795080 /nfs/dbraw/zinc/79/50/80/453795080.db2.gz LVAHCCQFIGRSBA-UHFFFAOYSA-N 0 3 343.383 3.064 20 5 EGBDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000081533168 453883722 /nfs/dbraw/zinc/88/37/22/453883722.db2.gz XRUYSFUQRPVXMM-LJQANCHMSA-N 0 3 325.412 3.301 20 5 EGBDHN Cc1ccc(CNCc2ccccc2Cn2ccnc2)cc1[N+](=O)[O-] ZINC000075758127 453924237 /nfs/dbraw/zinc/92/42/37/453924237.db2.gz NQHKYPOFYVDGBC-UHFFFAOYSA-N 0 3 336.395 3.438 20 5 EGBDHN O=[N+]([O-])c1ccc(CN(CCc2ccccc2)[C@H]2CCOC2)cc1 ZINC000084133301 453971629 /nfs/dbraw/zinc/97/16/29/453971629.db2.gz FQHILISBHUORGN-IBGZPJMESA-N 0 3 326.396 3.428 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000056520225 454064245 /nfs/dbraw/zinc/06/42/45/454064245.db2.gz MGLITSRLVFSGSK-JSGCOSHPSA-N 0 3 334.420 3.145 20 5 EGBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090107494 454279716 /nfs/dbraw/zinc/27/97/16/454279716.db2.gz GNNPLJPCZBANIJ-HOCLYGCPSA-N 0 3 340.427 3.433 20 5 EGBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000090538116 454318864 /nfs/dbraw/zinc/31/88/64/454318864.db2.gz IKPLNRAHXWHOLI-SNVBAGLBSA-N 0 3 328.294 3.161 20 5 EGBDHN CC(C)(C)N1CCCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000063724614 454440829 /nfs/dbraw/zinc/44/08/29/454440829.db2.gz YZVUMKROCKZPBB-UHFFFAOYSA-N 0 3 344.415 3.023 20 5 EGBDHN COc1ccc(-c2ccc(CN(CCO)CC3CC3)o2)c([N+](=O)[O-])c1 ZINC000092506051 454577875 /nfs/dbraw/zinc/57/78/75/454577875.db2.gz JFWJYJOEWJVCIY-UHFFFAOYSA-N 0 3 346.383 3.068 20 5 EGBDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000051050849 454606681 /nfs/dbraw/zinc/60/66/81/454606681.db2.gz NPECKJWZBVVWIM-WBVHZDCISA-N 0 3 347.459 3.154 20 5 EGBDHN COC1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 ZINC000123161845 454608718 /nfs/dbraw/zinc/60/87/18/454608718.db2.gz XIZSDEQXBSIYOM-UHFFFAOYSA-N 0 3 346.383 3.140 20 5 EGBDHN COc1ccc(CN(C)CCOc2ccccc2[N+](=O)[O-])cc1OC ZINC000051454649 454625632 /nfs/dbraw/zinc/62/56/32/454625632.db2.gz CGLPLBMGLJSLKN-UHFFFAOYSA-N 0 3 346.383 3.123 20 5 EGBDHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000081126453 454690064 /nfs/dbraw/zinc/69/00/64/454690064.db2.gz USKULHWRFDBRSJ-HNNXBMFYSA-N 0 3 345.424 3.003 20 5 EGBDHN Cc1cccc(OC[C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000152895481 454737794 /nfs/dbraw/zinc/73/77/94/454737794.db2.gz RTCGSCGUMJEEDE-JKSUJKDBSA-N 0 3 344.411 3.302 20 5 EGBDHN CC[C@@H](NC[C@@H](O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000125446210 454822666 /nfs/dbraw/zinc/82/26/66/454822666.db2.gz FVIDTROFYXUGGL-QZTJIDSGSA-N 0 3 330.384 3.378 20 5 EGBDHN C[C@@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126761044 454916648 /nfs/dbraw/zinc/91/66/48/454916648.db2.gz QJKQIEMDWZHTRK-CZUORRHYSA-N 0 3 331.416 3.037 20 5 EGBDHN C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)N(C)C1CC1 ZINC000113337399 454923073 /nfs/dbraw/zinc/92/30/73/454923073.db2.gz XNBBONPBNBJLBQ-LBPRGKRZSA-N 0 3 346.456 3.291 20 5 EGBDHN CC[C@@H](Cc1ccccc1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000128640136 455074022 /nfs/dbraw/zinc/07/40/22/455074022.db2.gz HOPNLPYMSHZMJX-KRWDZBQOSA-N 0 3 341.411 3.147 20 5 EGBDHN C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000245424056 455294203 /nfs/dbraw/zinc/29/42/03/455294203.db2.gz JVRAAKCNCNOJBI-BJZITVGISA-N 0 3 342.395 3.028 20 5 EGBDHN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000245698665 455359397 /nfs/dbraw/zinc/35/93/97/455359397.db2.gz CRFLUSMCZBJGGT-ZIAGYGMSSA-N 0 3 328.416 3.473 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN[C@@H](Cc2ccccc2)c2cccs2)n1 ZINC000184973116 455479313 /nfs/dbraw/zinc/47/93/13/455479313.db2.gz KUPTYZRZKHBQBJ-HNNXBMFYSA-N 0 3 342.424 3.426 20 5 EGBDHN CC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000182307210 455484899 /nfs/dbraw/zinc/48/48/99/455484899.db2.gz BAAMAVDYAPOUEI-HNNXBMFYSA-N 0 3 335.791 3.151 20 5 EGBDHN CCOC(=O)[C@](C)(CNCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000191632325 455505336 /nfs/dbraw/zinc/50/53/36/455505336.db2.gz YTJRWDJNXRQMBZ-LJQANCHMSA-N 0 3 342.395 3.205 20 5 EGBDHN Cc1c(CC(=O)Nc2cccc(CN(C)C)c2)cccc1[N+](=O)[O-] ZINC000161350094 455562328 /nfs/dbraw/zinc/56/23/28/455562328.db2.gz WYMJGPUCYVZBPU-UHFFFAOYSA-N 0 3 327.384 3.146 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(c3ccnc4ccccc43)C2)nc1 ZINC000192154843 455566071 /nfs/dbraw/zinc/56/60/71/455566071.db2.gz QWBXDKAZLPIQLH-ZDUSSCGKSA-N 0 3 335.367 3.229 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2c2ccsc2)c1 ZINC000247342157 455590200 /nfs/dbraw/zinc/59/02/00/455590200.db2.gz SOVFZLGQYQHBOP-WBVHZDCISA-N 0 3 348.424 3.233 20 5 EGBDHN CC(C)(NC[C@H](O)c1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000292249733 455608491 /nfs/dbraw/zinc/60/84/91/455608491.db2.gz XQIMFTPODBSWEX-INIZCTEOSA-N 0 3 336.338 3.431 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN2CCC(c3ccc(Cl)cc3)CC2)n1 ZINC000185790415 455622904 /nfs/dbraw/zinc/62/29/04/455622904.db2.gz AZXFRKFOJNSJLT-UHFFFAOYSA-N 0 3 334.807 3.324 20 5 EGBDHN CC(=O)c1cc(N2CCN(C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000292396834 455651848 /nfs/dbraw/zinc/65/18/48/455651848.db2.gz UOSNWPSSEZNZDM-ZDUSSCGKSA-N 0 3 331.416 3.108 20 5 EGBDHN CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000192807795 455697013 /nfs/dbraw/zinc/69/70/13/455697013.db2.gz BKDDVMGTOHYWCC-UHFFFAOYSA-N 0 3 345.424 3.037 20 5 EGBDHN O=[N+]([O-])c1ccccc1C[C@@H](N[C@H](CCO)c1ccco1)C1CC1 ZINC000186550548 455791172 /nfs/dbraw/zinc/79/11/72/455791172.db2.gz FTDOFAPYFJGZDR-HZPDHXFCSA-N 0 3 330.384 3.222 20 5 EGBDHN CO[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1C ZINC000251910631 455799471 /nfs/dbraw/zinc/79/94/71/455799471.db2.gz RRVZGZNJGMNWNU-CXAGYDPISA-N 0 3 345.399 3.149 20 5 EGBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000272373046 455929379 /nfs/dbraw/zinc/92/93/79/455929379.db2.gz AZEKULIIDQWXPM-UKRRQHHQSA-N 0 3 349.431 3.330 20 5 EGBDHN CN1CC[C@@H]2CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272435573 455950566 /nfs/dbraw/zinc/95/05/66/455950566.db2.gz IBKALZZXWJUMGO-CXAGYDPISA-N 0 3 345.443 3.059 20 5 EGBDHN O=[N+]([O-])c1ccccc1CNCCCOCCOCc1ccccc1 ZINC000272587395 456004546 /nfs/dbraw/zinc/00/45/46/456004546.db2.gz QMIZABAGCWXMIT-UHFFFAOYSA-N 0 3 344.411 3.308 20 5 EGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1ccsc1 ZINC000272986132 456135954 /nfs/dbraw/zinc/13/59/54/456135954.db2.gz ZTQZBLOVIHAGNH-LSDHHAIUSA-N 0 3 348.424 3.233 20 5 EGBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301852336 456233165 /nfs/dbraw/zinc/23/31/65/456233165.db2.gz GNNPLJPCZBANIJ-GDBMZVCRSA-N 0 3 340.427 3.433 20 5 EGBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CCN1Cc1ccccc1 ZINC000302171410 456306720 /nfs/dbraw/zinc/30/67/20/456306720.db2.gz UWODFFXYLAHNJI-QGZVFWFLSA-N 0 3 340.427 3.399 20 5 EGBDHN Cc1cc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000302192073 456312204 /nfs/dbraw/zinc/31/22/04/456312204.db2.gz ZLTOPNMQJZXANL-HOCLYGCPSA-N 0 3 326.400 3.231 20 5 EGBDHN C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCC[C@@H]1C ZINC000343068190 456384616 /nfs/dbraw/zinc/38/46/16/456384616.db2.gz QUSGQHXIIDOIQX-STQMWFEESA-N 0 3 344.415 3.069 20 5 EGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000299106332 456607016 /nfs/dbraw/zinc/60/70/16/456607016.db2.gz VPOIISNMCDCCAI-RYUDHWBXSA-N 0 3 339.823 3.098 20 5 EGBDHN C[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N(C)C1CC1 ZINC000291583977 456686594 /nfs/dbraw/zinc/68/65/94/456686594.db2.gz VEKVCCRKDIKFDG-MRVPVSSYSA-N 0 3 346.214 3.114 20 5 EGBDHN CCS[C@@H]1CCC[C@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348477875 456704580 /nfs/dbraw/zinc/70/45/80/456704580.db2.gz KQUYLBACNAPRMR-TZMCWYRMSA-N 0 3 337.445 3.106 20 5 EGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@](CO)(c2ccccc2)C1 ZINC000291708367 456728388 /nfs/dbraw/zinc/72/83/88/456728388.db2.gz IJKDTRMRNNIWDR-BEFAXECRSA-N 0 3 326.396 3.292 20 5 EGBDHN Cc1c(CN2CC[C@](CO)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000291900751 456793211 /nfs/dbraw/zinc/79/32/11/456793211.db2.gz RDRXUQXLSXZBOC-IBGZPJMESA-N 0 3 326.396 3.039 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CNC3CCC(CO)CC3)cs2)c1 ZINC000344944658 456872655 /nfs/dbraw/zinc/87/26/55/456872655.db2.gz CQLDGIZJAHHPMB-UHFFFAOYSA-N 0 3 347.440 3.359 20 5 EGBDHN CN(CCN1CCCC1)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338992658 456890756 /nfs/dbraw/zinc/89/07/56/456890756.db2.gz AIYPHBMCYQPXRB-UHFFFAOYSA-N 0 3 331.338 3.141 20 5 EGBDHN CN(C)CCN(Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1F ZINC000349302438 456937246 /nfs/dbraw/zinc/93/72/46/456937246.db2.gz WTWMOISUZHZESE-UHFFFAOYSA-N 0 3 337.420 3.359 20 5 EGBDHN C[C@@H]1C[C@H](c2cccnc2)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000359870413 457136559 /nfs/dbraw/zinc/13/65/59/457136559.db2.gz IVQVHENQYUGEDK-RHSMWYFYSA-N 0 3 327.384 3.452 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@](C)(CO)c1ccccc1 ZINC000342225250 457178894 /nfs/dbraw/zinc/17/88/94/457178894.db2.gz NHDILYQWIZDAPI-IBGZPJMESA-N 0 3 344.411 3.033 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000342293159 457217646 /nfs/dbraw/zinc/21/76/46/457217646.db2.gz SYACRBRZKZUXJE-UHFFFAOYSA-N 0 3 339.823 3.196 20 5 EGBDHN COCCCN(C)CCNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000360084694 457246752 /nfs/dbraw/zinc/24/67/52/457246752.db2.gz UPZZGZAJMVZVGY-UHFFFAOYSA-N 0 3 349.353 3.302 20 5 EGBDHN COc1cc(C)ccc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351525414 457301833 /nfs/dbraw/zinc/30/18/33/457301833.db2.gz RUGNHKYKLMNWFO-HZPDHXFCSA-N 0 3 344.415 3.382 20 5 EGBDHN Cn1cnc([N+](=O)[O-])c1CN(CCc1ccccc1)C1CCCC1 ZINC000355549724 457385863 /nfs/dbraw/zinc/38/58/63/457385863.db2.gz DWFHUIJCXYGOJN-UHFFFAOYSA-N 0 3 328.416 3.316 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CCc4c[nH]nc4C3)o2)c1 ZINC000363939386 457466169 /nfs/dbraw/zinc/46/61/69/457466169.db2.gz SXBQLYRRVXWWRK-CQSZACIVSA-N 0 3 338.367 3.225 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000361012673 457511815 /nfs/dbraw/zinc/51/18/15/457511815.db2.gz GWSAJEODXMYOQM-XJKSGUPXSA-N 0 3 343.431 3.052 20 5 EGBDHN C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@H]1C ZINC000352707421 457547135 /nfs/dbraw/zinc/54/71/35/457547135.db2.gz AXUKTXVABLAIMY-BZUAXINKSA-N 0 3 347.459 3.295 20 5 EGBDHN C[C@H]1[C@H](C)N(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCN1C ZINC000361157109 457620283 /nfs/dbraw/zinc/62/02/83/457620283.db2.gz UVMGYPYODZNHNK-KBPBESRZSA-N 0 3 329.400 3.379 20 5 EGBDHN C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358083295 457773965 /nfs/dbraw/zinc/77/39/65/457773965.db2.gz KRIBHSQPOUQJLE-VXGBXAGGSA-N 0 3 345.424 3.205 20 5 EGBDHN C[C@@H](NCCCN(C(=O)C1CCC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000358087046 457777591 /nfs/dbraw/zinc/77/75/91/457777591.db2.gz XHJMBIQKFAOLCQ-CQSZACIVSA-N 0 3 345.443 3.427 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000433780004 457885339 /nfs/dbraw/zinc/88/53/39/457885339.db2.gz QTNUGLCAKPQQHJ-LPHOPBHVSA-N 0 3 340.427 3.427 20 5 EGBDHN CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC000444679077 457938132 /nfs/dbraw/zinc/93/81/32/457938132.db2.gz TUTPAHLVWDIUOM-XJKSGUPXSA-N 0 3 349.431 3.443 20 5 EGBDHN COc1cc(CN[C@H]2CCCC[C@H]2n2cccn2)ccc1[N+](=O)[O-] ZINC000362022186 458009841 /nfs/dbraw/zinc/00/98/41/458009841.db2.gz FNGRWMVYXJNNHX-LSDHHAIUSA-N 0 3 330.388 3.073 20 5 EGBDHN CC[C@@H]1CCCCN1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412110903 458095046 /nfs/dbraw/zinc/09/50/46/458095046.db2.gz FANPBOCAILYZJB-BPQIPLTHSA-N 0 3 345.443 3.079 20 5 EGBDHN Cc1ccc(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428555935 458169808 /nfs/dbraw/zinc/16/98/08/458169808.db2.gz ALSCTYZZIOVBJS-IEBWSBKVSA-N 0 3 344.386 3.298 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@H](CO)C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000446755772 458225565 /nfs/dbraw/zinc/22/55/65/458225565.db2.gz YXIRIRSFSUHDCZ-QGZVFWFLSA-N 0 3 348.399 3.360 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@@H](O)CN1CCCCC1 ZINC000429212043 458291544 /nfs/dbraw/zinc/29/15/44/458291544.db2.gz NBBCKFRZEBFNSU-LLVKDONJSA-N 0 3 348.230 3.160 20 5 EGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)CC(F)F ZINC000429461695 458334475 /nfs/dbraw/zinc/33/44/75/458334475.db2.gz LWDFJVMLOUSEOK-QWRGUYRKSA-N 0 3 334.388 3.071 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CCO)[C@H]1CC[C@@H](C)C1 ZINC000429758765 458367455 /nfs/dbraw/zinc/36/74/55/458367455.db2.gz JOBLUSQIMIDAHC-ZBFHGGJFSA-N 0 3 336.432 3.365 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000448078282 458387068 /nfs/dbraw/zinc/38/70/68/458387068.db2.gz RIDFXSWRTCMLBN-HNNXBMFYSA-N 0 3 334.420 3.145 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCS[C@@H]2COCC[C@@H]21 ZINC000470178871 458621244 /nfs/dbraw/zinc/62/12/44/458621244.db2.gz PBRWEVTZYYSFOF-RKXUAZDKSA-N 0 3 334.441 3.204 20 5 EGBDHN Cc1c(CN[C@H](C)c2ccc(C(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000494973782 458777021 /nfs/dbraw/zinc/77/70/21/458777021.db2.gz IIQZHCYORIGLBT-CQSZACIVSA-N 0 3 341.411 3.456 20 5 EGBDHN C[C@@H]1CN(C2CC2)C[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000466818062 458925579 /nfs/dbraw/zinc/92/55/79/458925579.db2.gz XQWPVPGGYWBXCX-NOZJJQNGSA-N 0 3 340.221 3.252 20 5 EGBDHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000467052620 458948915 /nfs/dbraw/zinc/94/89/15/458948915.db2.gz ATKFXWNXJOTTFM-WBMJQRKESA-N 0 3 345.443 3.105 20 5 EGBDHN CC(C)C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000467173852 458955636 /nfs/dbraw/zinc/95/56/36/458955636.db2.gz SAKGNUDYTZANPC-WMLDXEAASA-N 0 3 331.416 3.068 20 5 EGBDHN COc1cccc2c1OC[C@H](N[C@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594495110 459061078 /nfs/dbraw/zinc/06/10/78/459061078.db2.gz OWMTZVGCBNXXNQ-CJNGLKHVSA-N 0 3 340.379 3.184 20 5 EGBDHN COc1cccc2c1OC[C@H](N[C@@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594495111 459061139 /nfs/dbraw/zinc/06/11/39/459061139.db2.gz OWMTZVGCBNXXNQ-CZUORRHYSA-N 0 3 340.379 3.184 20 5 EGBDHN Cc1cccc(C[C@H](CO)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000594499793 459062919 /nfs/dbraw/zinc/06/29/19/459062919.db2.gz KAELVGCHRWJDSI-CRAIPNDOSA-N 0 3 326.396 3.084 20 5 EGBDHN CSc1ccc(C(=O)N2CCNC3(CCCCC3)C2)cc1[N+](=O)[O-] ZINC000594628700 459118469 /nfs/dbraw/zinc/11/84/69/459118469.db2.gz BOJLRDXJOVJXIT-UHFFFAOYSA-N 0 3 349.456 3.065 20 5 EGBDHN C[C@H](CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C(C)(C)C ZINC000590380603 459122639 /nfs/dbraw/zinc/12/26/39/459122639.db2.gz QJIZBVJILQYMGS-CQSZACIVSA-N 0 3 333.432 3.035 20 5 EGBDHN C[C@@H](N[C@@H](C)CC(N)=O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000479528075 459146346 /nfs/dbraw/zinc/14/63/46/459146346.db2.gz MUJDOKUVNGNXKQ-WDEREUQCSA-N 0 3 333.413 3.238 20 5 EGBDHN CC[C@H](C)[C@H](C)N(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000532963207 459165799 /nfs/dbraw/zinc/16/57/99/459165799.db2.gz VTSLOFAXYNMRGL-KBPBESRZSA-N 0 3 345.443 3.383 20 5 EGBDHN CCCN1CC[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000594992423 459208684 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/nfs/dbraw/zinc/74/18/42/1305741842.db2.gz LHJZHBIKKFCNNI-SDNWHVSQSA-N 0 3 332.400 3.083 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H](O)Cc1cccc(F)c1 ZINC000894661267 1309009444 /nfs/dbraw/zinc/00/94/44/1309009444.db2.gz NDYIFDNKTLPNRK-OAHLLOKOSA-N 0 3 338.766 3.081 20 5 EGBDHN CC[C@H](C[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-])CC(F)(F)F ZINC000894906952 1309123066 /nfs/dbraw/zinc/12/30/66/1309123066.db2.gz XNXRVGUMCZFBNH-VIFPVBQESA-N 0 3 336.310 3.377 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCN(C(C)(C)C)CC2)c1C ZINC000895972328 1309620066 /nfs/dbraw/zinc/62/00/66/1309620066.db2.gz VGEXGVHSVGZPKF-UHFFFAOYSA-N 0 3 333.432 3.158 20 5 EGBDHN CCCN(CCN1CCCCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000804566363 1317259973 /nfs/dbraw/zinc/25/99/73/1317259973.db2.gz CRZRTWOKQCOEHW-UHFFFAOYSA-N 0 3 337.395 3.072 20 5 EGBDHN COC(=O)[C@@H]1CC[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000903129489 1317659560 /nfs/dbraw/zinc/65/95/60/1317659560.db2.gz CQZHJCQMMNFSAC-TUAOUCFPSA-N 0 3 338.429 3.309 20 5 EGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN1CCN(CC2CC2)CC1 ZINC000809935788 1317921068 /nfs/dbraw/zinc/92/10/68/1317921068.db2.gz LYXORJVTCDEJTL-UHFFFAOYSA-N 0 3 344.242 3.429 20 5 EGBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000813113000 1318502210 /nfs/dbraw/zinc/50/22/10/1318502210.db2.gz NNYHTJZLBPEYRW-CYBMUJFWSA-N 0 3 345.351 3.096 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccccc2N2CCCC2)c1 ZINC000818972903 1319598228 /nfs/dbraw/zinc/59/82/28/1319598228.db2.gz OMCFLZWGDAJUOU-IBGZPJMESA-N 0 3 341.411 3.018 20 5 EGBDHN CCc1cccc2c1OCC[C@H]2NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818997626 1319610396 /nfs/dbraw/zinc/61/03/96/1319610396.db2.gz HLMGZPXRAQPUMR-MSOLQXFVSA-N 0 3 342.395 3.304 20 5 EGBDHN Cc1cnc(COC(=O)c2cccc(CN(C)C)c2)c(C)c1[N+](=O)[O-] ZINC000821627910 1320023838 /nfs/dbraw/zinc/02/38/38/1320023838.db2.gz SXEZLPOEMPATAT-UHFFFAOYSA-N 0 3 343.383 3.025 20 5 EGBDHN C[C@@H](CCCc1cccnc1)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839143623 1320879455 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349.362 3.003 20 5 EGBDHN CC([C@H](OC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845884066 1321751165 /nfs/dbraw/zinc/75/11/65/1321751165.db2.gz XBSQFWXCBUAXOI-MVQRFQBOSA-N 0 3 344.342 3.274 20 5 EGBDHN CC[C@H](CC(F)F)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000851714158 1323072330 /nfs/dbraw/zinc/07/23/30/1323072330.db2.gz FIQPXYBEJNBOQF-CYBMUJFWSA-N 0 3 327.375 3.398 20 5 EGBDHN O=[N+]([O-])c1c(F)cccc1NCC1CCN(Cc2ccncc2)CC1 ZINC000853810627 1325166311 /nfs/dbraw/zinc/16/63/11/1325166311.db2.gz BZGAESGAKWYVMP-UHFFFAOYSA-N 0 3 344.390 3.453 20 5 EGBDHN C[C@@H](NC[C@H]1CN(c2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932179010 1329791413 /nfs/dbraw/zinc/79/14/13/1329791413.db2.gz VITSWRGUQQHFFR-BEFAXECRSA-N 0 3 341.411 3.151 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCCN1C1CC1 ZINC000935662739 1330069109 /nfs/dbraw/zinc/06/91/09/1330069109.db2.gz JHGCNHAJIBCOCY-CQSZACIVSA-N 0 3 349.456 3.063 20 5 EGBDHN CC1(C)N[C@H](CO[C@H](c2ccccc2)c2ccccc2[N+](=O)[O-])CO1 ZINC001217929987 1373513337 /nfs/dbraw/zinc/51/33/37/1373513337.db2.gz MGTKFJUJBSYKIX-CRAIPNDOSA-N 0 3 342.395 3.425 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2CC[C@@H]3NCCO[C@@H]32)cc1 ZINC001218120458 1373564759 /nfs/dbraw/zinc/56/47/59/1373564759.db2.gz ROVXJMOVPJMYFW-WDSOQIARSA-N 0 3 340.379 3.160 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3CC[C@@H]4NCCO[C@H]43)cc2)c1 ZINC001218150306 1373570080 /nfs/dbraw/zinc/57/00/80/1373570080.db2.gz DOJDDJUDAOHKDP-GBESFXJTSA-N 0 3 340.379 3.160 20 5 EGBDHN O=[N+]([O-])c1ccc2nc(O[C@@H]3CNCc4ccccc43)sc2c1 ZINC001218489805 1373624807 /nfs/dbraw/zinc/62/48/07/1373624807.db2.gz VXTAWVVYMFOWMY-CQSZACIVSA-N 0 3 327.365 3.428 20 5 EGBDHN O=[N+]([O-])c1ccc(OC2CCN(C3CC3)CC2)c(Br)c1 ZINC001226041668 1375194213 /nfs/dbraw/zinc/19/42/13/1375194213.db2.gz WKJGAEWHNKWQPF-UHFFFAOYSA-N 0 3 341.205 3.363 20 5 EGBDHN O=[N+]([O-])c1cc(Br)cc(OC2CCN(C3CC3)CC2)c1 ZINC001229146560 1375774277 /nfs/dbraw/zinc/77/42/77/1375774277.db2.gz UDCYLYOXEHDCGN-UHFFFAOYSA-N 0 3 341.205 3.363 20 5 EGBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc21 ZINC001149711906 1379434900 /nfs/dbraw/zinc/43/49/00/1379434900.db2.gz NYCBRIHKNKHPEE-UHFFFAOYSA-N 0 3 349.390 3.268 20 5 EGBDHN CN(C1CCCC1)C(C)(C)C(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC001327964189 1388634544 /nfs/dbraw/zinc/63/45/44/1388634544.db2.gz UAMYQQHZHYWTIY-UHFFFAOYSA-N 0 3 338.379 3.430 20 5 EGBDHN Cc1cc(-n2nc(CN)c3ccccc32)nc2ccc([N+](=O)[O-])cc12 ZINC001156855396 1380695775 /nfs/dbraw/zinc/69/57/75/1380695775.db2.gz HOESZTIWHTZIJC-UHFFFAOYSA-N 0 3 333.351 3.249 20 5 EGBDHN CC(C)(C(=O)NCCCNCc1csc([N+](=O)[O-])c1)C1CCC1 ZINC001163424767 1383049592 /nfs/dbraw/zinc/04/95/92/1383049592.db2.gz JPRDJWHBGCENNA-UHFFFAOYSA-N 0 3 339.461 3.079 20 5 EGBDHN CCC(CC)C(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001163510266 1383069858 /nfs/dbraw/zinc/06/98/58/1383069858.db2.gz GFPIVSKIEVKAFM-UHFFFAOYSA-N 0 3 347.459 3.407 20 5 EGBDHN CN(C)c1ccc(NCC2CN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001165469806 1383299658 /nfs/dbraw/zinc/29/96/58/1383299658.db2.gz RGAVSMAXJRKSLQ-UHFFFAOYSA-N 0 3 340.427 3.205 20 5 EGBDHN CC1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001165759967 1383341072 /nfs/dbraw/zinc/34/10/72/1383341072.db2.gz BKGMHCNMSBZERO-UHFFFAOYSA-N 0 3 333.432 3.161 20 5 EGBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2csc(-c3ccc(F)cc3)n2)C1 ZINC001169001229 1384083735 /nfs/dbraw/zinc/08/37/35/1384083735.db2.gz DSDNBUVTQZAMTD-SMDDNHRTSA-N 0 3 335.404 3.484 20 5 EGBDHN COc1ccc(C[C@H](C)NCc2cnc(Cl)s2)c([N+](=O)[O-])c1 ZINC001170294859 1384284643 /nfs/dbraw/zinc/28/46/43/1384284643.db2.gz DMVQGEIJUUWVSV-VIFPVBQESA-N 0 3 341.820 3.434 20 5 EGBDHN COc1ccc(C[C@@H](C)NCc2cc(Cl)ccn2)c([N+](=O)[O-])c1 ZINC001170298545 1384284929 /nfs/dbraw/zinc/28/49/29/1384284929.db2.gz LXLMWDKAYBGBFQ-LLVKDONJSA-N 0 3 335.791 3.373 20 5 EGBDHN COc1ccc(C[C@H](C)N2CC[C@@H]3CCCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170336570 1384294220 /nfs/dbraw/zinc/29/42/20/1384294220.db2.gz ZMCQCUTUEHHWLU-SUNYJGFJSA-N 0 3 334.416 3.035 20 5 EGBDHN CC(C)CC(C)(C)C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001170556661 1384342383 /nfs/dbraw/zinc/34/23/83/1384342383.db2.gz WRTPKCHFMYOJSD-UHFFFAOYSA-N 0 3 335.448 3.263 20 5 EGBDHN C[C@@H]1C[C@@H](F)CN1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010681 1384897926 /nfs/dbraw/zinc/89/79/26/1384897926.db2.gz XNTMFJMLVDHECJ-GHMZBOCLSA-N 0 3 343.349 3.274 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCC2)[C@@H](F)C1 ZINC001173238447 1384942767 /nfs/dbraw/zinc/94/27/67/1384942767.db2.gz SPARSDNWYIKYBX-WBAXXEDZSA-N 0 3 335.423 3.034 20 5 EGBDHN CCCN1CCCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001329395919 1389095647 /nfs/dbraw/zinc/09/56/47/1389095647.db2.gz CZOIKWTYUXXBNX-SFHVURJKSA-N 0 3 347.459 3.298 20 5 EGBDHN Cc1ccc(CN2CCCN(c3ccnc(F)c3[N+](=O)[O-])CC2)cc1 ZINC001331898182 1389902639 /nfs/dbraw/zinc/90/26/39/1389902639.db2.gz QTGFYSPDIUFHPH-UHFFFAOYSA-N 0 3 344.390 3.150 20 5 EGBDHN Cc1cnc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)c1 ZINC001346337743 1390923545 /nfs/dbraw/zinc/92/35/45/1390923545.db2.gz IWTZKTNEXRTQNJ-LRDDRELGSA-N 0 3 332.331 3.401 20 5 EGBDHN O=C(NC1(CNCc2ccccc2[N+](=O)[O-])CCCC1)c1ccco1 ZINC001753499061 1440422609 /nfs/dbraw/zinc/42/26/09/1440422609.db2.gz HXJIZQWPHAOGPR-UHFFFAOYSA-N 0 3 343.383 3.020 20 5 EGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056788418 214388930 /nfs/dbraw/zinc/38/89/30/214388930.db2.gz AYKMQNGGDKWCDP-KFWWJZLASA-N 0 3 348.447 3.075 20 5 EGBDHN CC(C)NC(=O)CCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102421365 219203072 /nfs/dbraw/zinc/20/30/72/219203072.db2.gz HATWSCWAQPWUTO-UHFFFAOYSA-N 0 3 347.440 3.328 20 5 EGBDHN C[C@@H](c1ccco1)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000181663425 234275883 /nfs/dbraw/zinc/27/58/83/234275883.db2.gz COMMNAPGFBSMOE-NSHDSACASA-N 0 3 335.335 3.349 20 5 EGBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@]3(CCSC3)C2)c(Cl)c1 ZINC000183916541 235260654 /nfs/dbraw/zinc/26/06/54/235260654.db2.gz KKICRLOIFNRJRD-SWLSCSKDSA-N 0 3 342.848 3.393 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)[C@@H](C)[C@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000262642628 245089613 /nfs/dbraw/zinc/08/96/13/245089613.db2.gz SJYAATJAVTVHBG-DEYYWGMASA-N 0 3 341.411 3.417 20 5 EGBDHN CNC(=O)[C@@H](C)CN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093899101 218256819 /nfs/dbraw/zinc/25/68/19/218256819.db2.gz NRCAIUACCOOWCE-LBPRGKRZSA-N 0 3 347.440 3.137 20 5 EGBDHN CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268740444 252190224 /nfs/dbraw/zinc/19/02/24/252190224.db2.gz RSPPKBCZJOYOJP-RYUDHWBXSA-N 0 3 347.440 3.499 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNC[C@H](c1ccco1)N(C)C ZINC000344884435 533408628 /nfs/dbraw/zinc/40/86/28/533408628.db2.gz TVTWUIWBDZACTN-IDKBZEPQSA-N 0 3 329.400 3.484 20 5 EGBDHN COCCN(CCc1ccccc1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000351586408 144284286 /nfs/dbraw/zinc/28/42/86/144284286.db2.gz XXXGJFQTZZDPDL-UHFFFAOYSA-N 0 3 344.411 3.295 20 5 EGBDHN COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])nc1)N1CCCC1 ZINC000339939266 155043356 /nfs/dbraw/zinc/04/33/56/155043356.db2.gz VLPWHFUUXNYVST-MRXNPFEDSA-N 0 3 342.399 3.247 20 5 EGBDHN CCOc1cccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534208 162015195 /nfs/dbraw/zinc/01/51/95/162015195.db2.gz QTKFYMWJKRHAFW-OAHLLOKOSA-N 0 3 342.399 3.075 20 5 EGBDHN CCC[C@H](O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000112377242 162174148 /nfs/dbraw/zinc/17/41/48/162174148.db2.gz KFCKMMNCBNJBIZ-LBPRGKRZSA-N 0 3 334.372 3.114 20 5 EGBDHN CSc1ccc(C(=O)NC[C@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000114377984 162230073 /nfs/dbraw/zinc/23/00/73/162230073.db2.gz SFZCIGSTGNYLSJ-ZDUSSCGKSA-N 0 3 339.461 3.023 20 5 EGBDHN Cc1n[nH]c(C)c1[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000130588517 162373700 /nfs/dbraw/zinc/37/37/00/162373700.db2.gz ZIZONFHBDKKRLM-OAHLLOKOSA-N 0 3 330.388 3.151 20 5 EGBDHN CCCN1CCC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000343916559 164064811 /nfs/dbraw/zinc/06/48/11/164064811.db2.gz QFAXGEACDZHCGU-LLVKDONJSA-N 0 3 343.225 3.039 20 5 EGBDHN Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000359818039 167240165 /nfs/dbraw/zinc/24/01/65/167240165.db2.gz ICGZPNJLPATLHD-MRXNPFEDSA-N 0 3 345.374 3.075 20 5 EGBDHN Cc1cc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000360206488 167270428 /nfs/dbraw/zinc/27/04/28/167270428.db2.gz AFMKTZWOVGQYHA-INIZCTEOSA-N 0 3 345.374 3.075 20 5 EGBDHN Cc1ccc([C@H](C)NCC2(C(=O)N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000165094244 226109603 /nfs/dbraw/zinc/10/96/03/226109603.db2.gz FAIJMITZUUVHTJ-AWEZNQCLSA-N 0 3 333.432 3.202 20 5 EGBDHN Cc1ccc(CNCCc2nc3cc(F)ccc3n2C)cc1[N+](=O)[O-] ZINC000123889535 222347217 /nfs/dbraw/zinc/34/72/17/222347217.db2.gz HQQSIXAUBGNZAQ-UHFFFAOYSA-N 0 3 342.374 3.261 20 5 EGBDHN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC000269628092 266329885 /nfs/dbraw/zinc/32/98/85/266329885.db2.gz DGFHNKYNYCUUTF-SCLBCKFNSA-N 0 3 330.384 3.417 20 5 EGBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)s1 ZINC000273559791 267058984 /nfs/dbraw/zinc/05/89/84/267058984.db2.gz ZIJJFOVSAABAFB-LLVKDONJSA-N 0 3 341.820 3.212 20 5 EGBDHN CC[C@@H](C)[C@H](C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000106439636 275168647 /nfs/dbraw/zinc/16/86/47/275168647.db2.gz XWDGGERPWHHFAX-OLZOCXBDSA-N 0 3 349.431 3.441 20 5 EGBDHN CCS[C@@H]1CCC[C@H]1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284823310 275828986 /nfs/dbraw/zinc/82/89/86/275828986.db2.gz AFZYVVUDWZJBLR-UXIGCNINSA-N 0 3 337.445 3.186 20 5 EGBDHN C[C@@H](CN(C)C)Nc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000286469229 276004458 /nfs/dbraw/zinc/00/44/58/276004458.db2.gz QCDAGZXQPPCNIQ-ZETCQYMHSA-N 0 3 342.268 3.006 20 5 EGBDHN CSc1ccc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287202705 276096020 /nfs/dbraw/zinc/09/60/20/276096020.db2.gz PKUQBOSVFYYCNM-TZMCWYRMSA-N 0 3 349.456 3.016 20 5 EGBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288937145 276269247 /nfs/dbraw/zinc/26/92/47/276269247.db2.gz WLOSMSSQXSMRQW-LJQANCHMSA-N 0 3 344.386 3.161 20 5 EGBDHN CC(C)N1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289652751 276372674 /nfs/dbraw/zinc/37/26/74/276372674.db2.gz LUJIJBGSVDMZGE-UHFFFAOYSA-N 0 3 340.811 3.196 20 5 EGBDHN Cc1c([C@H](C)N[C@H]2COc3ccccc3[C@H]2O)cccc1[N+](=O)[O-] ZINC000290531542 276507920 /nfs/dbraw/zinc/50/79/20/276507920.db2.gz ZKLUIWONDVMILQ-XLWVJDPXSA-N 0 3 328.368 3.048 20 5 EGBDHN CC(C)c1ccc(C(=O)N2CCC[C@H]3CN(C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000188055101 278024079 /nfs/dbraw/zinc/02/40/79/278024079.db2.gz CGRUCOPKSBMIOI-DOTOQJQBSA-N 0 3 345.443 3.275 20 5 EGBDHN COc1ccc([C@@H](CO)CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000414196682 309066303 /nfs/dbraw/zinc/06/63/03/309066303.db2.gz VTKWHRUJRCAKKO-CZUORRHYSA-N 0 3 330.384 3.030 20 5 EGBDHN Cc1c([C@H](C)NC[C@@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000414301542 309071716 /nfs/dbraw/zinc/07/17/16/309071716.db2.gz VPWXQZWVXWTJMW-ZFWWWQNUSA-N 0 3 332.375 3.469 20 5 EGBDHN COc1cc(CN[C@H](C(C)C)C2(CO)CCC2)c([N+](=O)[O-])cc1F ZINC000293204330 308109182 /nfs/dbraw/zinc/10/91/82/308109182.db2.gz XDGRUTOSZFTGTG-MRXNPFEDSA-N 0 3 340.395 3.019 20 5 EGBDHN C[C@H](NCc1cccc(N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000293661234 308150619 /nfs/dbraw/zinc/15/06/19/308150619.db2.gz IQWZYPMZMAHWEN-HNNXBMFYSA-N 0 3 341.411 3.282 20 5 EGBDHN COc1ccccc1O[C@H](C)CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294653088 308242430 /nfs/dbraw/zinc/24/24/30/308242430.db2.gz GWJJYXKNIRDVOY-CHWSQXEVSA-N 0 3 345.399 3.304 20 5 EGBDHN O=C1CCC(CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000295055569 308286224 /nfs/dbraw/zinc/28/62/24/308286224.db2.gz OXLJIJLRHOKDPP-UHFFFAOYSA-N 0 3 332.400 3.197 20 5 EGBDHN Cc1cc(NCc2n[nH]c(C(C)C)n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000295071568 308287983 /nfs/dbraw/zinc/28/79/83/308287983.db2.gz ZXCFBALFFFQMND-UHFFFAOYSA-N 0 3 326.360 3.305 20 5 EGBDHN C[C@H]1[C@H](CO)CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414579771 309090550 /nfs/dbraw/zinc/09/05/50/309090550.db2.gz QAKQAHJRNWSLOO-ZFWWWQNUSA-N 0 3 330.384 3.448 20 5 EGBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H](O)Cc1cccc(F)c1 ZINC000295159505 308298050 /nfs/dbraw/zinc/29/80/50/308298050.db2.gz SADUKINJUSUZRW-HNNXBMFYSA-N 0 3 338.766 3.081 20 5 EGBDHN CC[C@](CNCc1cccc([N+](=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000414595675 309091106 /nfs/dbraw/zinc/09/11/06/309091106.db2.gz ZJJDGIQZRLQKOV-LJQANCHMSA-N 0 3 342.395 3.205 20 5 EGBDHN Cc1cc(NC2CCN(C3CC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302027909 308725723 /nfs/dbraw/zinc/72/57/23/308725723.db2.gz QXTITGGLYVNIIG-UHFFFAOYSA-N 0 3 326.400 3.490 20 5 EGBDHN CC1CCN([C@H](CNc2ncc([N+](=O)[O-])cn2)c2ccccc2)CC1 ZINC000302167094 308731681 /nfs/dbraw/zinc/73/16/81/308731681.db2.gz RXKFLZXGYYKQDG-QGZVFWFLSA-N 0 3 341.415 3.270 20 5 EGBDHN Cc1cc(NCCNC(=O)OC(C)(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000302186919 308732453 /nfs/dbraw/zinc/73/24/53/308732453.db2.gz PTJXWADLEJJQIC-UHFFFAOYSA-N 0 3 346.387 3.388 20 5 EGBDHN O=[N+]([O-])c1cnc(NC[C@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000413028143 309012313 /nfs/dbraw/zinc/01/23/13/309012313.db2.gz OLPKVJPDBPDGJE-MRXNPFEDSA-N 0 3 330.363 3.378 20 5 EGBDHN CC[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)N1CCCC1 ZINC000413056884 309013739 /nfs/dbraw/zinc/01/37/39/309013739.db2.gz WDFGRDMSUQIKMC-JTQLQIEISA-N 0 3 332.326 3.295 20 5 EGBDHN COC(=O)[C@H]1CC[C@@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417325888 309201700 /nfs/dbraw/zinc/20/17/00/309201700.db2.gz FSXRCCRVHGVUPN-VBQJREDUSA-N 0 3 332.400 3.294 20 5 EGBDHN O=[N+]([O-])c1cc(CN2CC[C@@H](C3CCCC3)C2)c2c(c1)COCO2 ZINC000420961071 309304565 /nfs/dbraw/zinc/30/45/65/309304565.db2.gz HVRLZAUCKRKVRY-CQSZACIVSA-N 0 3 332.400 3.473 20 5 EGBDHN Cc1cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc(C)n1 ZINC000421853131 309343566 /nfs/dbraw/zinc/34/35/66/309343566.db2.gz IPCUHRXTNLYQBI-HOTGVXAUSA-N 0 3 329.404 3.077 20 5 EGBDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(CN)nc2C)cc1[N+](=O)[O-] ZINC000422923739 309376437 /nfs/dbraw/zinc/37/64/37/309376437.db2.gz WWAAXYUPHALIHW-QWHCGFSZSA-N 0 3 328.416 3.477 20 5 EGBDHN CC(C)c1ccc(C(=O)NCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000439420271 309832525 /nfs/dbraw/zinc/83/25/25/309832525.db2.gz YONISJXYELKZHC-UHFFFAOYSA-N 0 3 333.432 3.180 20 5 EGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc(F)cc2F)n1 ZINC000447539084 309981225 /nfs/dbraw/zinc/98/12/25/309981225.db2.gz FLQCVWNGCOXBGL-GJZGRUSLSA-N 0 3 336.342 3.343 20 5 EGBDHN COc1ccc(-c2ccc(CN3C[C@@H](O)C(C)(C)C3)o2)c([N+](=O)[O-])c1 ZINC000448361478 310002861 /nfs/dbraw/zinc/00/28/61/310002861.db2.gz HSAQWJIPRXSLER-QGZVFWFLSA-N 0 3 346.383 3.066 20 5 EGBDHN Cc1cccc(C)c1NC(=O)CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449218193 310045358 /nfs/dbraw/zinc/04/53/58/310045358.db2.gz GFQGXAJLKNCEFB-HNNXBMFYSA-N 0 3 341.411 3.371 20 5 EGBDHN Cc1cnc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450812021 310143670 /nfs/dbraw/zinc/14/36/70/310143670.db2.gz PCWBNHSTUYKQPB-MRXNPFEDSA-N 0 3 340.427 3.257 20 5 EGBDHN Cc1ccnc(N2CCN(Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000450812684 310143729 /nfs/dbraw/zinc/14/37/29/310143729.db2.gz QPAZBFFVCYCEOE-HNNXBMFYSA-N 0 3 340.427 3.257 20 5 EGBDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451109767 310161168 /nfs/dbraw/zinc/16/11/68/310161168.db2.gz ZABVZTFHZLAMOH-YJBOKZPZSA-N 0 3 344.411 3.302 20 5 EGBDHN COc1cc(CN[C@@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000451591427 310188143 /nfs/dbraw/zinc/18/81/43/310188143.db2.gz DPGKITKGFJXKPZ-DYVFJYSZSA-N 0 3 342.411 3.121 20 5 EGBDHN COc1cc(CN[C@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000451591429 310188145 /nfs/dbraw/zinc/18/81/45/310188145.db2.gz DPGKITKGFJXKPZ-SUMWQHHRSA-N 0 3 342.411 3.121 20 5 EGBDHN CNC(=O)C[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453376071 310273684 /nfs/dbraw/zinc/27/36/84/310273684.db2.gz PIMRFCIBSNDYOC-RYUDHWBXSA-N 0 3 347.440 3.499 20 5 EGBDHN C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000454261494 310299962 /nfs/dbraw/zinc/29/99/62/310299962.db2.gz RDHZHCRVLKXXPA-KFWWJZLASA-N 0 3 348.447 3.218 20 5 EGBDHN C[C@H](NC[C@](C)(CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000478184235 310855789 /nfs/dbraw/zinc/85/57/89/310855789.db2.gz XQKHOSXOIXABLR-HNAYVOBHSA-N 0 3 328.412 3.487 20 5 EGBDHN CCN1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485411080 310977397 /nfs/dbraw/zinc/97/73/97/310977397.db2.gz VRIRGLPRTIMGAK-UHFFFAOYSA-N 0 3 344.390 3.114 20 5 EGBDHN CCC[C@@H](NCCN1CCO[C@@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000494449326 311479391 /nfs/dbraw/zinc/47/93/91/311479391.db2.gz IHHBMKCFRMSZPH-ZWKOTPCHSA-N 0 3 335.448 3.136 20 5 EGBDHN CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000496503590 311722331 /nfs/dbraw/zinc/72/23/31/311722331.db2.gz CHJDECLROPWGMG-SWLSCSKDSA-N 0 3 347.415 3.181 20 5 EGBDHN C[C@@H](CN1CCCCCC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000501208555 311940926 /nfs/dbraw/zinc/94/09/26/311940926.db2.gz KFQFINWXNVHFPV-HNNXBMFYSA-N 0 3 347.459 3.253 20 5 EGBDHN CCOc1ccc([C@@H](C)NCCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000504893849 312012102 /nfs/dbraw/zinc/01/21/02/312012102.db2.gz INNFGFRQBRPACD-LSDHHAIUSA-N 0 3 335.448 3.376 20 5 EGBDHN CCCN1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000509695054 312123723 /nfs/dbraw/zinc/12/37/23/312123723.db2.gz WUYAKHZWIRGXDO-UHFFFAOYSA-N 0 3 344.390 3.328 20 5 EGBDHN CCc1ccc([C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000513400069 312208899 /nfs/dbraw/zinc/20/88/99/312208899.db2.gz AHRZERZDZZNXMQ-QGZVFWFLSA-N 0 3 328.416 3.233 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000538761285 314273923 /nfs/dbraw/zinc/27/39/23/314273923.db2.gz VGAZJNQWSURRIT-IUODEOHRSA-N 0 3 347.459 3.370 20 5 EGBDHN CCc1nn(C)c(NC[C@H](c2ccc(CC)cc2)N(C)C)c1[N+](=O)[O-] ZINC000539889425 314349613 /nfs/dbraw/zinc/34/96/13/314349613.db2.gz JUEGVHWXEBUOMF-MRXNPFEDSA-N 0 3 345.447 3.168 20 5 EGBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)CCc1ccccc1 ZINC000548935476 315063878 /nfs/dbraw/zinc/06/38/78/315063878.db2.gz MVCSKGHJWZHJKU-LJQANCHMSA-N 0 3 328.412 3.063 20 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EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@H](n4cccn4)C3)o2)c1 ZINC000291351726 456615498 /nfs/dbraw/zinc/61/54/98/456615498.db2.gz XGUZFKCHFSWGHO-INIZCTEOSA-N 0 3 338.367 3.498 20 5 EGBDHN CC(=O)Nc1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000283032901 456695613 /nfs/dbraw/zinc/69/56/13/456695613.db2.gz NIARELLBLKCINW-UHFFFAOYSA-N 0 3 327.384 3.228 20 5 EGBDHN CN(C)C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000338352071 456781639 /nfs/dbraw/zinc/78/16/39/456781639.db2.gz FUDPRUWCLTXUMU-MRXNPFEDSA-N 0 3 346.362 3.158 20 5 EGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H](N2CCCC2)C1 ZINC000340987484 456800642 /nfs/dbraw/zinc/80/06/42/456800642.db2.gz MHYVBZOAXWQNDQ-OAHLLOKOSA-N 0 3 343.383 3.041 20 5 EGBDHN C[C@H]1[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCN1C ZINC000339064487 456923618 /nfs/dbraw/zinc/92/36/18/456923618.db2.gz HXXYWAKKHNGAPA-QWRGUYRKSA-N 0 3 331.338 3.138 20 5 EGBDHN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCCC[C@H]1O ZINC000339100219 456940295 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CC[C@H]1CCCCN1CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347233827 457302075 /nfs/dbraw/zinc/30/20/75/457302075.db2.gz NVVIXRSBFXFDHZ-AWEZNQCLSA-N 0 3 338.383 3.120 20 5 EGBDHN CCOCCO[C@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347347153 457366463 /nfs/dbraw/zinc/36/64/63/457366463.db2.gz VTWYPIILGGYJCH-RXBGNRNISA-N 0 3 334.416 3.126 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCN1Cc1ccccc1 ZINC000360901836 457422011 /nfs/dbraw/zinc/42/20/11/457422011.db2.gz PUURHUMXKNQYGP-INIZCTEOSA-N 0 3 343.431 3.196 20 5 EGBDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000342777091 457517816 /nfs/dbraw/zinc/51/78/16/457517816.db2.gz BMWAEICELGXDEH-UHFFFAOYSA-N 0 3 337.395 3.072 20 5 EGBDHN CC(C)Oc1cccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000370059258 457521649 /nfs/dbraw/zinc/52/16/49/457521649.db2.gz GSIRHQCJPZAXPZ-UHFFFAOYSA-N 0 3 344.415 3.416 20 5 EGBDHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000347607844 457546688 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ZINC000458495649 458070338 /nfs/dbraw/zinc/07/03/38/458070338.db2.gz HSJZSAGYUJJDJP-GOEBONIOSA-N 0 3 348.447 3.088 20 5 EGBDHN CN1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000435246815 458108165 /nfs/dbraw/zinc/10/81/65/458108165.db2.gz SYKMPXGVEPKKDA-UHFFFAOYSA-N 0 3 331.441 3.461 20 5 EGBDHN COc1ccc(-c2ccc(CN3CCCN(C)CC3)o2)c([N+](=O)[O-])c1 ZINC000435249998 458108907 /nfs/dbraw/zinc/10/89/07/458108907.db2.gz WOHBUYGSHJURFE-UHFFFAOYSA-N 0 3 345.399 3.001 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(C[C@H]3CCC4(CCCCC4)O3)CC2)n1 ZINC000369679569 458314405 /nfs/dbraw/zinc/31/44/05/458314405.db2.gz DGAGWMDKPIRHJH-MRXNPFEDSA-N 0 3 348.447 3.310 20 5 EGBDHN Cc1ccc(C[C@@H](CO)N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447598543 458319216 /nfs/dbraw/zinc/31/92/16/458319216.db2.gz VMQHKYSXPSZUOI-PXNSSMCTSA-N 0 3 340.423 3.474 20 5 EGBDHN C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN(C2CCC2)C1 ZINC000429391682 458328309 /nfs/dbraw/zinc/32/83/09/458328309.db2.gz DLKXSBKOVYOXDS-CYBMUJFWSA-N 0 3 344.415 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326.396 3.164 20 5 EGBDHN COCCN1CCC(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596090280 459516020 /nfs/dbraw/zinc/51/60/20/459516020.db2.gz NWXRGFDNSIAQJX-UHFFFAOYSA-N 0 3 347.337 3.136 20 5 EGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1ccnn1CC ZINC000596097563 459519921 /nfs/dbraw/zinc/51/99/21/459519921.db2.gz ZPIGIJAPXJXJAC-CYBMUJFWSA-N 0 3 334.445 3.472 20 5 EGBDHN C[C@@H]1C[C@H](Nc2c(Br)cccc2[N+](=O)[O-])CCN1C ZINC000596143776 459536003 /nfs/dbraw/zinc/53/60/03/459536003.db2.gz ABHCCCOQGUQOGB-NXEZZACHSA-N 0 3 328.210 3.252 20 5 EGBDHN C[C@H]1CC2(CN1Cc1nc3cc([N+](=O)[O-])ccc3o1)CCOCC2 ZINC000592184109 459544936 /nfs/dbraw/zinc/54/49/36/459544936.db2.gz YZLFSAOYTGCTIW-LBPRGKRZSA-N 0 3 331.372 3.127 20 5 EGBDHN CC[C@H]1CN(C)CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000596436735 459635543 /nfs/dbraw/zinc/63/55/43/459635543.db2.gz QCHHQLVBUNKKHX-NSHDSACASA-N 0 3 340.811 3.196 20 5 EGBDHN CC(C)(C)N1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000596447781 459639442 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CO[C@@H](CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCOCC1 ZINC000602438073 459937558 /nfs/dbraw/zinc/93/75/58/459937558.db2.gz ALIXBAKAHCKGAX-SFHVURJKSA-N 0 3 334.416 3.001 20 5 EGBDHN CN1CCC(N(C(=O)c2csc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000609566883 459983751 /nfs/dbraw/zinc/98/37/51/459983751.db2.gz UDBRWLYKISVQFA-UHFFFAOYSA-N 0 3 345.424 3.397 20 5 EGBDHN C[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1CO ZINC000598676199 459987615 /nfs/dbraw/zinc/98/76/15/459987615.db2.gz DMELPCOWUIJCQI-UKRRQHHQSA-N 0 3 330.384 3.305 20 5 EGBDHN CC(C)[C@@H]1OCCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602561263 459998129 /nfs/dbraw/zinc/99/81/29/459998129.db2.gz DYBHJHSDBWEUQX-PXAZEXFGSA-N 0 3 333.388 3.277 20 5 EGBDHN O=[N+]([O-])c1ccc(CNC[C@@H](CO)c2ccc(Cl)cc2)c(F)c1 ZINC000588928796 460007294 /nfs/dbraw/zinc/00/72/94/460007294.db2.gz XCQKVOPSBPDTPF-ZDUSSCGKSA-N 0 3 338.766 3.253 20 5 EGBDHN C[C@]1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCO[C@@H]1C1CC1 ZINC000602611431 460021382 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Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000602782280 460122684 /nfs/dbraw/zinc/12/26/84/460122684.db2.gz LXNZGCRMWVTABD-WMLDXEAASA-N 0 3 328.416 3.225 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](c1ccc(F)c(C)c1)C1CC1 ZINC000602800354 460133027 /nfs/dbraw/zinc/13/30/27/460133027.db2.gz IGOSIEKCRPYNRE-KRWDZBQOSA-N 0 3 332.379 3.288 20 5 EGBDHN Cc1c([C@H](C)NC[C@@H]2CCCN2CC(F)F)cccc1[N+](=O)[O-] ZINC000599064571 460147627 /nfs/dbraw/zinc/14/76/27/460147627.db2.gz CBIMCEHAIDJKQE-STQMWFEESA-N 0 3 327.375 3.283 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(C/C=C\c3ccc(F)cc3)CC2)n1 ZINC000618822601 460188850 /nfs/dbraw/zinc/18/88/50/460188850.db2.gz GULZCNNYPSEJPK-UPHRSURJSA-N 0 3 330.363 3.281 20 5 EGBDHN CC[C@@H](CN1CCCC1)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000610721052 460225736 /nfs/dbraw/zinc/22/57/36/460225736.db2.gz PCKVMDHQHAAUMP-HOCLYGCPSA-N 0 3 348.447 3.138 20 5 EGBDHN Cc1c(NC(=O)NC[C@H]2CCN2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000599701299 460315830 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CN(C)Cc1cccc(NC(=O)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000266421977 536038484 /nfs/dbraw/zinc/03/84/84/536038484.db2.gz VRWGIONUKOMIJW-UHFFFAOYSA-N 0 3 342.399 3.021 20 5 EGBDHN Cc1ccc([C@@H](CNc2nc3ccccn3c2[N+](=O)[O-])N(C)C)cc1 ZINC000742564435 576789969 /nfs/dbraw/zinc/78/99/69/576789969.db2.gz LHXOVUCIACXLBB-OAHLLOKOSA-N 0 3 339.399 3.266 20 5 EGBDHN C[C@](O)(CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccco1 ZINC000174528746 1294506311 /nfs/dbraw/zinc/50/63/11/1294506311.db2.gz VXGDIYZGPKREEK-SFHVURJKSA-N 0 3 342.351 3.445 20 5 EGBDHN CC(=O)Nc1ccc(CNCc2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000873008385 1297220336 /nfs/dbraw/zinc/22/03/36/1297220336.db2.gz KUZCTOJCDRUUDX-UHFFFAOYSA-N 0 3 327.384 3.460 20 5 EGBDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000746108233 1298533981 /nfs/dbraw/zinc/53/39/81/1298533981.db2.gz JSZMDRPDXMNLFS-VXGBXAGGSA-N 0 3 339.823 3.079 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000749684344 1299255460 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EGBDHN CC([C@@H](OC(=O)c1cnc(C2CC2)o1)c1ccccc1F)[N+](=O)[O-] ZINC001123018790 1372363528 /nfs/dbraw/zinc/36/35/28/1372363528.db2.gz NLLUQVVUVNYRBI-LKFCYVNXSA-N 0 3 334.303 3.254 20 5 EGBDHN CCCn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1 ZINC001123133818 1372386184 /nfs/dbraw/zinc/38/61/84/1372386184.db2.gz PJYIPPVDTDGAKU-LRDDRELGSA-N 0 3 349.362 3.304 20 5 EGBDHN CN1CCN(Cc2ccc(Nc3ccc(F)cc3[N+](=O)[O-])cc2)CC1 ZINC001210953623 1372459823 /nfs/dbraw/zinc/45/98/23/1372459823.db2.gz LRUDMKXOBZTJNT-UHFFFAOYSA-N 0 3 344.390 3.225 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3CC[C@@H]4NCCO[C@@H]34)cc2)cc1 ZINC001218127302 1373565874 /nfs/dbraw/zinc/56/58/74/1373565874.db2.gz FZPAZXTYRWKHFD-IPMKNSEASA-N 0 3 340.379 3.160 20 5 EGBDHN O=c1cc(O[C@H]2CNCc3ccccc32)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC001218488570 1373624598 /nfs/dbraw/zinc/62/45/98/1373624598.db2.gz YNGKPNDUIGJIDH-KRWDZBQOSA-N 0 3 337.335 3.072 20 5 EGBDHN CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1CNCc2ccccc21 ZINC001218492143 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C[C@H]1CC[C@H](C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001171661758 1384594818 /nfs/dbraw/zinc/59/48/18/1384594818.db2.gz STVRUNVHENGPCD-SHTZXODSSA-N 0 3 333.432 3.017 20 5 EGBDHN CC(C)(F)C(=O)NCCCCCCNCc1csc([N+](=O)[O-])c1 ZINC001177742088 1386031709 /nfs/dbraw/zinc/03/17/09/1386031709.db2.gz AZJUXCVORHSVRE-UHFFFAOYSA-N 0 3 345.440 3.171 20 5 EGBDHN CN(Cc1cc2ccccc2[nH]1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001319965518 1386423004 /nfs/dbraw/zinc/42/30/04/1386423004.db2.gz NYTWWGBHZBARHY-SFHVURJKSA-N 0 3 325.368 3.242 20 5 EGBDHN C[C@]1(O)CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001320835750 1386732738 /nfs/dbraw/zinc/73/27/38/1386732738.db2.gz COGWRKPFENDFKK-INIZCTEOSA-N 0 3 336.775 3.465 20 5 EGBDHN COc1ccccc1C1(NC[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001337289526 1389295310 /nfs/dbraw/zinc/29/53/10/1389295310.db2.gz NYDRIZZADDAJEC-KRWDZBQOSA-N 0 3 342.395 3.306 20 5 EGBDHN COc1ccccc1C1(NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001337289527 1389295493 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EGBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)N(C)C ZINC000187194388 236143184 /nfs/dbraw/zinc/14/31/84/236143184.db2.gz HDZGYWQQUALHFZ-SJCJKPOMSA-N 0 3 345.374 3.155 20 5 EGBDHN COc1ccc(COCCN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000091741153 218057340 /nfs/dbraw/zinc/05/73/40/218057340.db2.gz PVRFYGFSEVQUBM-AWEZNQCLSA-N 0 3 330.384 3.471 20 5 EGBDHN COc1cccc([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000341219384 141140293 /nfs/dbraw/zinc/14/02/93/141140293.db2.gz LFHFLGXQFHLILG-ZDUSSCGKSA-N 0 3 343.383 3.283 20 5 EGBDHN Cc1nn(C)c(N[C@@H](CN(C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000346202073 141179712 /nfs/dbraw/zinc/17/97/12/141179712.db2.gz YAMBIQCOGKIYGH-INIZCTEOSA-N 0 3 345.447 3.205 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000350814208 141268154 /nfs/dbraw/zinc/26/81/54/141268154.db2.gz SBYGJPGWYXDQFW-UHFFFAOYSA-N 0 3 334.420 3.243 20 5 EGBDHN CCN1CCN(c2cccc(Nc3nc(C)ccc3[N+](=O)[O-])c2)CC1 ZINC000351547383 144277804 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EGBDHN O=[N+]([O-])c1ccc(CN(C[C@@H](O)Cc2ccccc2)C2CC2)cc1 ZINC000130492709 162369944 /nfs/dbraw/zinc/36/99/44/162369944.db2.gz XOTDQAHQQXGFMQ-IBGZPJMESA-N 0 3 326.396 3.163 20 5 EGBDHN C[C@H](CN(C)C)NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000346156422 164351712 /nfs/dbraw/zinc/35/17/12/164351712.db2.gz JZXDTNOUXQXEPZ-CYBMUJFWSA-N 0 3 342.399 3.018 20 5 EGBDHN CCN(CC(=O)Nc1c(C)cccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000351948285 165162463 /nfs/dbraw/zinc/16/24/63/165162463.db2.gz CRERTDNGOFRXOS-CQSZACIVSA-N 0 3 349.431 3.121 20 5 EGBDHN C[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000359136182 167078353 /nfs/dbraw/zinc/07/83/53/167078353.db2.gz GESQPHVCWBYPBV-JTQLQIEISA-N 0 3 342.321 3.283 20 5 EGBDHN Cc1c(CC(=O)N(CCN(C)C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000178704642 265337087 /nfs/dbraw/zinc/33/70/87/265337087.db2.gz JZUIYSGLCUVFRV-UHFFFAOYSA-N 0 3 347.459 3.169 20 5 EGBDHN Cc1ccccc1C[C@@H](CO)N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193335430 266026003 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EGBDHN C[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1[C@H](C)CC[C@H]1C ZINC000413823412 309049075 /nfs/dbraw/zinc/04/90/75/309049075.db2.gz AANKHHICSADQPF-MCIONIFRSA-N 0 3 333.432 3.207 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)COc1ccc(F)cc1 ZINC000152559528 307755250 /nfs/dbraw/zinc/75/52/50/307755250.db2.gz MKKMIRHUNRNOQM-CZUORRHYSA-N 0 3 348.374 3.133 20 5 EGBDHN COc1ccc(NC(=O)CN2C[C@H](C)[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000248408596 308002298 /nfs/dbraw/zinc/00/22/98/308002298.db2.gz CEMNFJMUQRRRFI-DUVNUKRYSA-N 0 3 347.415 3.052 20 5 EGBDHN CN1CCC[C@@]2(CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC000292930473 308080982 /nfs/dbraw/zinc/08/09/82/308080982.db2.gz ZHJBFIHWYHZOJG-GOSISDBHSA-N 0 3 326.400 3.065 20 5 EGBDHN CCC[C@@H](C)C(=O)NCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000293032467 308092058 /nfs/dbraw/zinc/09/20/58/308092058.db2.gz AEFAGXXDQFWZDK-CXAGYDPISA-N 0 3 333.432 3.114 20 5 EGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])NCc1snnc1C ZINC000293315635 308119579 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CCc1ccccc1[C@H](N)CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415419854 309133095 /nfs/dbraw/zinc/13/30/95/309133095.db2.gz RMVNEAMZEVLCRC-MRXNPFEDSA-N 0 3 342.399 3.287 20 5 EGBDHN NC(=O)c1ccc(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000417306599 309201062 /nfs/dbraw/zinc/20/10/62/309201062.db2.gz CRBLTQTZTMOGHY-SFHVURJKSA-N 0 3 339.395 3.251 20 5 EGBDHN C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCOCC1 ZINC000446848126 309969568 /nfs/dbraw/zinc/96/95/68/309969568.db2.gz FGQAVSFNGYRGJT-LBPRGKRZSA-N 0 3 332.404 3.014 20 5 EGBDHN COCC[C@@]1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC000447071568 309973348 /nfs/dbraw/zinc/97/33/48/309973348.db2.gz AATNRMSCXCVDRV-GOSISDBHSA-N 0 3 346.383 3.140 20 5 EGBDHN C[C@@H](Cc1cnn(C)c1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449582316 310073699 /nfs/dbraw/zinc/07/36/99/310073699.db2.gz FQMVMFKXYHLJHJ-ZDUSSCGKSA-N 0 3 340.383 3.309 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451607617 310189020 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/nfs/dbraw/zinc/89/48/67/455894867.db2.gz OEGOIOCSLSKWGO-USXIJHARSA-N 0 3 334.416 3.285 20 5 EGBDHN CC(C)c1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285762824 455911380 /nfs/dbraw/zinc/91/13/80/455911380.db2.gz KOVNJNLNNXLLPP-ZBFHGGJFSA-N 0 3 345.443 3.417 20 5 EGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000270938949 456071050 /nfs/dbraw/zinc/07/10/50/456071050.db2.gz NEIKCSUXVNOUJY-LLVKDONJSA-N 0 3 339.823 3.051 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000296951213 456072785 /nfs/dbraw/zinc/07/27/85/456072785.db2.gz REBIKLKCKKRPMV-ZDUSSCGKSA-N 0 3 346.431 3.241 20 5 EGBDHN CCOc1cc(CN2C[C@@H]3CCCCN3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000332496237 456084068 /nfs/dbraw/zinc/08/40/68/456084068.db2.gz BWEIEWXFWHZDJK-ZBFHGGJFSA-N 0 3 333.432 3.052 20 5 EGBDHN Cc1cnc(NCCCN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000301447731 456119158 /nfs/dbraw/zinc/11/91/58/456119158.db2.gz OPJLPYKPDGBFKP-UHFFFAOYSA-N 0 3 326.400 3.159 20 5 EGBDHN Cc1cnc(N2CCCN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000301452374 456120166 /nfs/dbraw/zinc/12/01/66/456120166.db2.gz QUJNFEPUIHXFJR-MRXNPFEDSA-N 0 3 340.427 3.399 20 5 EGBDHN C[C@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301513488 456134392 /nfs/dbraw/zinc/13/43/92/456134392.db2.gz JENARCXJZJLKPF-LLVKDONJSA-N 0 3 329.347 3.483 20 5 EGBDHN COCCO[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000188826246 456146100 /nfs/dbraw/zinc/14/61/00/456146100.db2.gz LXOVTYSLMRBTQL-AWEZNQCLSA-N 0 3 346.383 3.092 20 5 EGBDHN Cc1cc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301610524 456160459 /nfs/dbraw/zinc/16/04/59/456160459.db2.gz CPCCRNVZMMUGBK-HOCLYGCPSA-N 0 3 326.400 3.373 20 5 EGBDHN Cc1nc(NC[C@@H](C)N2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301618696 456163937 /nfs/dbraw/zinc/16/39/37/456163937.db2.gz DBADYQPMTFYOQW-CYBMUJFWSA-N 0 3 326.400 3.157 20 5 EGBDHN CCC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000302014130 456269211 /nfs/dbraw/zinc/26/92/11/456269211.db2.gz KZGQBBRENCEAOF-SFHVURJKSA-N 0 3 340.427 3.481 20 5 EGBDHN CCOc1cccc(N2CCN(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000302164465 456305081 /nfs/dbraw/zinc/30/50/81/456305081.db2.gz QUJVTKVSYGJMKD-UHFFFAOYSA-N 0 3 333.432 3.448 20 5 EGBDHN CCOc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])ccc1O ZINC000298034492 456348780 /nfs/dbraw/zinc/34/87/80/456348780.db2.gz GKBCKXFYZQNYIB-UHFFFAOYSA-N 0 3 330.384 3.374 20 5 EGBDHN C[C@@H](CO)N(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000276593155 456523387 /nfs/dbraw/zinc/52/33/87/456523387.db2.gz QEWNTJRUMFLLLQ-ZDUSSCGKSA-N 0 3 345.399 3.375 20 5 EGBDHN CCNc1ccc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000343323790 456531831 /nfs/dbraw/zinc/53/18/31/456531831.db2.gz TUDYIAJUHMJRMU-KGLIPLIRSA-N 0 3 348.447 3.019 20 5 EGBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1c(F)cccc1F ZINC000282567643 456556359 /nfs/dbraw/zinc/55/63/59/456556359.db2.gz ZFDBHZZXWLWHIA-MRXNPFEDSA-N 0 3 336.338 3.081 20 5 EGBDHN Cc1ccc(CN2CC[C@](CO)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000291230106 456573003 /nfs/dbraw/zinc/57/30/03/456573003.db2.gz KHGRVDOWEQDMBY-IBGZPJMESA-N 0 3 326.396 3.039 20 5 EGBDHN CCOc1cc(CN2CCC[C@@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000276960325 456631457 /nfs/dbraw/zinc/63/14/57/456631457.db2.gz VKICTQSTTCLYAN-CQSZACIVSA-N 0 3 330.388 3.096 20 5 EGBDHN COc1cc(CNC[C@@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000299667377 456759273 /nfs/dbraw/zinc/75/92/73/456759273.db2.gz XQHYPMJSSAPDAQ-UWVGGRQHSA-N 0 3 348.321 3.290 20 5 EGBDHN COC[C@H]1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000353608035 456799007 /nfs/dbraw/zinc/79/90/07/456799007.db2.gz DAQGGSREWOELEY-ZDUSSCGKSA-N 0 3 346.383 3.332 20 5 EGBDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339064488 456923865 /nfs/dbraw/zinc/92/38/65/456923865.db2.gz HXXYWAKKHNGAPA-WDEREUQCSA-N 0 3 331.338 3.138 20 5 EGBDHN C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCC[C@@H]1C ZINC000349373296 456956959 /nfs/dbraw/zinc/95/69/59/456956959.db2.gz ONIKLFIHZHADFJ-QWHCGFSZSA-N 0 3 344.415 3.069 20 5 EGBDHN CC[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)N(CC)CC ZINC000359256491 457069064 /nfs/dbraw/zinc/06/90/64/457069064.db2.gz FUACPMMUUAWLBT-KRWDZBQOSA-N 0 3 335.448 3.452 20 5 EGBDHN CN(CCN1CCc2ccc([N+](=O)[O-])cc2C1)Cc1ccc(F)cc1 ZINC000359911577 457144655 /nfs/dbraw/zinc/14/46/55/457144655.db2.gz OAOQZMVXGDNKQI-UHFFFAOYSA-N 0 3 343.402 3.224 20 5 EGBDHN C[C@@H]1[C@@H](C)N(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCN1C ZINC000356788840 457167200 /nfs/dbraw/zinc/16/72/00/457167200.db2.gz DRJWKAGBMQCNMU-ZIAGYGMSSA-N 0 3 326.400 3.186 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000342255140 457193737 /nfs/dbraw/zinc/19/37/37/457193737.db2.gz BXYUEGRNUIRNEF-UHFFFAOYSA-N 0 3 339.823 3.196 20 5 EGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCCN1C1CCCC1 ZINC000331722232 457238948 /nfs/dbraw/zinc/23/89/48/457238948.db2.gz KBFDJCTWVCVBIJ-SFHVURJKSA-N 0 3 345.443 3.350 20 5 EGBDHN COc1cc(C)ccc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351525412 457302350 /nfs/dbraw/zinc/30/23/50/457302350.db2.gz RUGNHKYKLMNWFO-CVEARBPZSA-N 0 3 344.415 3.382 20 5 EGBDHN Cc1ccnc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425272568 457478213 /nfs/dbraw/zinc/47/82/13/457478213.db2.gz GSMTVBKQKBGAKN-DLBZAZTESA-N 0 3 338.411 3.009 20 5 EGBDHN CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000342783792 457525854 /nfs/dbraw/zinc/52/58/54/457525854.db2.gz JTCBZCMCWBLNBJ-UHFFFAOYSA-N 0 3 333.432 3.241 20 5 EGBDHN C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)CN1C ZINC000361170277 457626978 /nfs/dbraw/zinc/62/69/78/457626978.db2.gz YHHWCGFXTPYFLE-KGLIPLIRSA-N 0 3 329.400 3.379 20 5 EGBDHN Cc1c([C@H](C)NCc2ccc(OCCO)cc2)cccc1[N+](=O)[O-] ZINC000358026230 457744167 /nfs/dbraw/zinc/74/41/67/457744167.db2.gz PXGKOECQRSYIIH-AWEZNQCLSA-N 0 3 330.384 3.125 20 5 EGBDHN CCCc1nc(C)c(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000426350794 457808559 /nfs/dbraw/zinc/80/85/59/457808559.db2.gz YVTBYPNXXUKTRH-ZIAGYGMSSA-N 0 3 347.419 3.314 20 5 EGBDHN CCCN(CCN1CCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000411727008 457963996 /nfs/dbraw/zinc/96/39/96/457963996.db2.gz MVBAEGGTXXMNTB-UHFFFAOYSA-N 0 3 346.431 3.434 20 5 EGBDHN CC(C)N(Cc1cccc([N+](=O)[O-])c1)C[C@H](O)COc1ccccc1 ZINC000444809049 457983547 /nfs/dbraw/zinc/98/35/47/457983547.db2.gz BDPOVCNRTZNTBN-SFHVURJKSA-N 0 3 344.411 3.245 20 5 EGBDHN COc1ccc(OCCN2CCSC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000434696582 458037375 /nfs/dbraw/zinc/03/73/75/458037375.db2.gz ZYPHWOUZTKUEJZ-UHFFFAOYSA-N 0 3 340.445 3.200 20 5 EGBDHN Cc1ccc(CC2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1C ZINC000428707386 458195466 /nfs/dbraw/zinc/19/54/66/458195466.db2.gz FYXMMOXTHIVZFX-UHFFFAOYSA-N 0 3 342.443 3.363 20 5 EGBDHN O=C(CC1CCCC1)NCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447543151 458307824 /nfs/dbraw/zinc/30/78/24/458307824.db2.gz RDOFDHGBGOVXRG-SFHVURJKSA-N 0 3 345.443 3.258 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1NCCc3ccccc31)CCC2 ZINC000423445543 458434779 /nfs/dbraw/zinc/43/47/79/458434779.db2.gz YJCSXJBVPPFVPE-WOJBJXKFSA-N 0 3 337.423 3.449 20 5 EGBDHN CCc1ccc(C(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000468479038 458520994 /nfs/dbraw/zinc/52/09/94/458520994.db2.gz GEXMNRXOIIDSAX-MRXNPFEDSA-N 0 3 333.432 3.007 20 5 EGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000468477302 458521294 /nfs/dbraw/zinc/52/12/94/458521294.db2.gz WXWSCRWRCMVMLS-INIZCTEOSA-N 0 3 347.459 3.109 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccnc(-n2cccn2)c1 ZINC000468620689 458527881 /nfs/dbraw/zinc/52/78/81/458527881.db2.gz KGICPPSTAPBLJX-GDNBJRDFSA-N 0 3 349.394 3.369 20 5 EGBDHN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1ccccc1[N+](=O)[O-] ZINC000493989673 458612194 /nfs/dbraw/zinc/61/21/94/458612194.db2.gz SWLXOCDFRJWOEO-UONOGXRCSA-N 0 3 349.431 3.330 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCS[C@@H]2COCC[C@@H]21 ZINC000470178870 458620508 /nfs/dbraw/zinc/62/05/08/458620508.db2.gz PBRWEVTZYYSFOF-DKTLHIEFSA-N 0 3 334.441 3.204 20 5 EGBDHN CCOC(=O)N1CCC[C@@H]([C@@H](C)NCc2csc([N+](=O)[O-])c2)C1 ZINC000495565780 458884370 /nfs/dbraw/zinc/88/43/70/458884370.db2.gz NFTPIVXHQBCPCF-DGCLKSJQSA-N 0 3 341.433 3.003 20 5 EGBDHN COc1ccc(OCCN2CC[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000441546367 458959345 /nfs/dbraw/zinc/95/93/45/458959345.db2.gz UWUQHUSNVNKXDB-INIZCTEOSA-N 0 3 342.395 3.472 20 5 EGBDHN COC[C@@H](Cc1ccccc1)N(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000475750601 458964984 /nfs/dbraw/zinc/96/49/84/458964984.db2.gz QRWKALZHIHYCIH-GOSISDBHSA-N 0 3 344.411 3.163 20 5 EGBDHN C[C@@H](CN1CCCCCC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000476226452 458988228 /nfs/dbraw/zinc/98/82/28/458988228.db2.gz XTWIORQTKZPIMG-HNNXBMFYSA-N 0 3 347.459 3.253 20 5 EGBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)CN1C1CC1 ZINC000577432823 459032263 /nfs/dbraw/zinc/03/22/63/459032263.db2.gz ICPHZSZYKOWLBV-NXEZZACHSA-N 0 3 327.331 3.233 20 5 EGBDHN C[C@@H](NC(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000520498256 459064426 /nfs/dbraw/zinc/06/44/26/459064426.db2.gz YYAFLKUMIISXCG-CQSZACIVSA-N 0 3 341.411 3.454 20 5 EGBDHN C[S@](=O)Cc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594516728 459074807 /nfs/dbraw/zinc/07/48/07/459074807.db2.gz DBTOQKRHMBEDLD-XDHUDOTRSA-N 0 3 344.436 3.250 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000594518365 459076400 /nfs/dbraw/zinc/07/64/00/459076400.db2.gz GNNCYIWKMLATNV-BJLQDIEVSA-N 0 3 338.407 3.338 20 5 EGBDHN O=[N+]([O-])c1cnc(N[C@@H]2CCCN3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000594596657 459103417 /nfs/dbraw/zinc/10/34/17/459103417.db2.gz AZVSQQMRWZSSAI-CHWSQXEVSA-N 0 3 344.337 3.437 20 5 EGBDHN CN(CC1CCCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000532901095 459157564 /nfs/dbraw/zinc/15/75/64/459157564.db2.gz ZXBJQGFKZBDTAG-QGZVFWFLSA-N 0 3 331.416 3.212 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCc1cn2c(n1)SCC2 ZINC000558681181 459195087 /nfs/dbraw/zinc/19/50/87/459195087.db2.gz FYYDFASCWMVPHL-GFCCVEGCSA-N 0 3 332.429 3.099 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](O)[C@H](C)c1ccccc1 ZINC000594999503 459210581 /nfs/dbraw/zinc/21/05/81/459210581.db2.gz AJJDUFURVRCNGV-KDOFPFPSSA-N 0 3 344.411 3.248 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](c1ccnn1C)C(C)C ZINC000595039402 459225483 /nfs/dbraw/zinc/22/54/83/459225483.db2.gz DXQIHTMSFCBTNQ-CJNGLKHVSA-N 0 3 346.431 3.427 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)C(=O)OC(C)(C)C ZINC000595047796 459227728 /nfs/dbraw/zinc/22/77/28/459227728.db2.gz TZAIADRAJZHSTD-VXGBXAGGSA-N 0 3 338.404 3.232 20 5 EGBDHN CC(=O)c1nc(CCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]c1C ZINC000595419804 459293727 /nfs/dbraw/zinc/29/37/27/459293727.db2.gz LSDZAXFDYZZBED-LLVKDONJSA-N 0 3 330.388 3.031 20 5 EGBDHN CN(C(=O)CN1CC(C)(C)[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000568658562 459324210 /nfs/dbraw/zinc/32/42/10/459324210.db2.gz WOVFAZFOQKPMFS-CVEARBPZSA-N 0 3 331.416 3.068 20 5 EGBDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595858653 459465870 /nfs/dbraw/zinc/46/58/70/459465870.db2.gz YKMUCAHRWKYHMY-PHTAMDTFSA-N 0 3 328.372 3.408 20 5 EGBDHN C[C@H]1C[C@H](Nc2c(Br)cccc2[N+](=O)[O-])CCN1C ZINC000596143778 459536292 /nfs/dbraw/zinc/53/62/92/459536292.db2.gz ABHCCCOQGUQOGB-VHSXEESVSA-N 0 3 328.210 3.252 20 5 EGBDHN CC(C)(C)N1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000542763162 459589265 /nfs/dbraw/zinc/58/92/65/459589265.db2.gz NNEGSRBIGMRWPF-UHFFFAOYSA-N 0 3 338.383 3.072 20 5 EGBDHN Cc1cc(N2CCN(c3ccnc4ccccc43)CC2)ncc1[N+](=O)[O-] ZINC000593477357 459900489 /nfs/dbraw/zinc/90/04/89/459900489.db2.gz BWTMDFSVPUUYBP-UHFFFAOYSA-N 0 3 349.394 3.173 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](CO)CCF)o2)c(Cl)c1 ZINC000593690160 459950490 /nfs/dbraw/zinc/95/04/90/459950490.db2.gz SJLKBJSIWKOHJI-JTQLQIEISA-N 0 3 342.754 3.318 20 5 EGBDHN CCN1CCCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000609530301 459976001 /nfs/dbraw/zinc/97/60/01/459976001.db2.gz BNCLNBKGEFUNKF-OAHLLOKOSA-N 0 3 347.459 3.497 20 5 EGBDHN C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@H]1C ZINC000602515959 459977626 /nfs/dbraw/zinc/97/76/26/459977626.db2.gz UMTZWXPPUCTNMY-CHWSQXEVSA-N 0 3 332.404 3.089 20 5 EGBDHN COc1ccc(CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000602517928 459979839 /nfs/dbraw/zinc/97/98/39/459979839.db2.gz HEIAZTXZODETJI-UHFFFAOYSA-N 0 3 341.367 3.467 20 5 EGBDHN C[C@H](CN1C[C@H](C)C[C@H](C)C1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602522846 459982025 /nfs/dbraw/zinc/98/20/25/459982025.db2.gz YONDJIFOPLQCBR-HZSPNIEDSA-N 0 3 346.431 3.192 20 5 EGBDHN COc1cc(CNCCc2cccc([N+](=O)[O-])c2)c(Cl)cc1O ZINC000602579278 460005425 /nfs/dbraw/zinc/00/54/25/460005425.db2.gz FBCOVYVEBUJLEF-UHFFFAOYSA-N 0 3 336.775 3.295 20 5 EGBDHN C[C@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@H]1CCCOC1 ZINC000602602852 460019368 /nfs/dbraw/zinc/01/93/68/460019368.db2.gz CPRUWTBTSUMOTE-IUCAKERBSA-N 0 3 349.250 3.324 20 5 EGBDHN Cn1c(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc2ccccc21 ZINC000602642432 460039118 /nfs/dbraw/zinc/03/91/18/460039118.db2.gz XVCSWMWDFYLNLK-UHFFFAOYSA-N 0 3 339.399 3.120 20 5 EGBDHN COCC(C)(C)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602670960 460056056 /nfs/dbraw/zinc/05/60/56/460056056.db2.gz IDTZNBWPYHVVDG-UHFFFAOYSA-N 0 3 337.239 3.181 20 5 EGBDHN CC(C)OC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000594039700 460067515 /nfs/dbraw/zinc/06/75/15/460067515.db2.gz HVHOIXHBLUFRFX-OAHLLOKOSA-N 0 3 326.368 3.190 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000594057762 460078477 /nfs/dbraw/zinc/07/84/77/460078477.db2.gz ACQNJDGFWVQCBP-GOEBONIOSA-N 0 3 332.404 3.042 20 5 EGBDHN CCC(C)(C)N1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000594056907 460079249 /nfs/dbraw/zinc/07/92/49/460079249.db2.gz IKELXDYVOALJLV-UHFFFAOYSA-N 0 3 334.420 3.241 20 5 EGBDHN CC(C)(C(=O)N[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC000594196746 460144203 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EGBDHN CCOc1cccc(CN[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])n1 ZINC001170323732 1384290866 /nfs/dbraw/zinc/29/08/66/1384290866.db2.gz LXGMPDAUHXUILM-CYBMUJFWSA-N 0 3 345.399 3.118 20 5 EGBDHN COC(=O)c1cccc([C@H](C)Nc2cc3c(cc2[N+](=O)[O-])CNC3)c1 ZINC001171106626 1384446744 /nfs/dbraw/zinc/44/67/44/1384446744.db2.gz NMHIRLUOUQCMPD-NSHDSACASA-N 0 3 341.367 3.158 20 5 EGBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001171844482 1384659425 /nfs/dbraw/zinc/65/94/25/1384659425.db2.gz KZNYTLPRCLFKPR-UHFFFAOYSA-N 0 3 347.802 3.158 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCC[C@@H]1c1ncccn1)CC2 ZINC001172913075 1384876999 /nfs/dbraw/zinc/87/69/99/1384876999.db2.gz OQRBNYCGWRKPIY-SJLPKXTDSA-N 0 3 338.411 3.469 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2COc3ccccc32)c1F ZINC001173189013 1384933566 /nfs/dbraw/zinc/93/35/66/1384933566.db2.gz MXIGZYQGCFMXNC-BXUZGUMPSA-N 0 3 346.358 3.397 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccnc(OC2CCC2)n1 ZINC001173222974 1384938909 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COc1ccc([C@@H](CO)N(C)C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000093415352 218224909 /nfs/dbraw/zinc/22/49/09/218224909.db2.gz PYTMPHBYENJIJX-WSSFADSRSA-N 0 3 342.395 3.282 20 5 EGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN(Cc1cccs1)C1CC1 ZINC000181516638 285164667 /nfs/dbraw/zinc/16/46/67/285164667.db2.gz ODNIIODFEPHLOE-CQSZACIVSA-N 0 3 348.424 3.061 20 5 EGBDHN C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000181602174 533407357 /nfs/dbraw/zinc/40/73/57/533407357.db2.gz KQVCRGXMEBDIPQ-SNVBAGLBSA-N 0 3 328.294 3.161 20 5 EGBDHN CN(c1ccccc1)c1ccc(CN[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000344851396 144231039 /nfs/dbraw/zinc/23/10/39/144231039.db2.gz UNWAYDFYGVHRMU-HNNXBMFYSA-N 0 3 327.384 3.241 20 5 EGBDHN CSc1cccc(C(=O)N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000363769805 144364459 /nfs/dbraw/zinc/36/44/59/144364459.db2.gz RBQGIMBWQLCUQL-ZDUSSCGKSA-N 0 3 349.456 3.017 20 5 EGBDHN CC[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000341226924 155213871 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CCC[C@@H](O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000112377244 162173785 /nfs/dbraw/zinc/17/37/85/162173785.db2.gz KFCKMMNCBNJBIZ-GFCCVEGCSA-N 0 3 334.372 3.114 20 5 EGBDHN O=C(CCN1CC[C@@H]1Cc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000337035889 163110427 /nfs/dbraw/zinc/11/04/27/163110427.db2.gz ISWXGCQGNBWFAQ-MRXNPFEDSA-N 0 3 339.395 3.240 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(OCCN(C)C)c1 ZINC000337269170 163187989 /nfs/dbraw/zinc/18/79/89/163187989.db2.gz YJMARPUYUOHTIY-UHFFFAOYSA-N 0 3 343.383 3.096 20 5 EGBDHN CC(C)c1ccc(CN[C@H](C2CC2)[C@@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000354724082 166017772 /nfs/dbraw/zinc/01/77/72/166017772.db2.gz RRTAFNOYLGSSHH-MOPGFXCFSA-N 0 3 348.443 3.128 20 5 EGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCC2CCOCC2)c1 ZINC000344307902 164151325 /nfs/dbraw/zinc/15/13/25/164151325.db2.gz MYMZKLKIDGQRSH-UHFFFAOYSA-N 0 3 330.331 3.103 20 5 EGBDHN C[C@H]1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCN1C ZINC000344318301 164155167 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C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1ncccc1N(C)C ZINC000289618952 276367132 /nfs/dbraw/zinc/36/71/32/276367132.db2.gz DMBIOCBMUNTKNM-AWEZNQCLSA-N 0 3 328.416 3.167 20 5 EGBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000122789460 277201942 /nfs/dbraw/zinc/20/19/42/277201942.db2.gz NNHPBKGAJLMZDP-UONOGXRCSA-N 0 3 335.404 3.130 20 5 EGBDHN CCN(CCN1CCCCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000346326381 279188050 /nfs/dbraw/zinc/18/80/50/279188050.db2.gz YBSCQDXWWIRARK-UHFFFAOYSA-N 0 3 337.395 3.072 20 5 EGBDHN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCCC[C@@H]1C ZINC000339004321 279354918 /nfs/dbraw/zinc/35/49/18/279354918.db2.gz RDZLRNTVMOXHPK-QWHCGFSZSA-N 0 3 346.431 3.154 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000195066183 281258630 /nfs/dbraw/zinc/25/86/30/281258630.db2.gz YKQPYJCNHANLMD-OAHLLOKOSA-N 0 3 341.411 3.154 20 5 EGBDHN Cc1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nc1C ZINC000414161585 309064124 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20 5 EGBDHN CN(CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000054281589 453920590 /nfs/dbraw/zinc/92/05/90/453920590.db2.gz XPDPPAYHVTYXPR-UHFFFAOYSA-N 0 3 347.802 3.110 20 5 EGBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000075899696 453937678 /nfs/dbraw/zinc/93/76/78/453937678.db2.gz RQYFVUYPYKKUAY-GOSISDBHSA-N 0 3 330.384 3.029 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000085636741 454035525 /nfs/dbraw/zinc/03/55/25/454035525.db2.gz PAXGDWHLXFJCOL-HNNXBMFYSA-N 0 3 346.431 3.304 20 5 EGBDHN COc1cccc([C@H](CNc2ccc(F)cc2[N+](=O)[O-])N(C)C)c1 ZINC000068836661 454059005 /nfs/dbraw/zinc/05/90/05/454059005.db2.gz PDIWRDYSFSPLDD-KRWDZBQOSA-N 0 3 333.363 3.457 20 5 EGBDHN CCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCOC1 ZINC000089886181 454225811 /nfs/dbraw/zinc/22/58/11/454225811.db2.gz RYFIQMLSXMRULK-ZDUSSCGKSA-N 0 3 331.372 3.108 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(NC(N)=O)cc1 ZINC000130927679 454227265 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CNc1ccc(C(=O)Nc2ccc(C)cc2CN(C)C)cc1[N+](=O)[O-] ZINC000072840045 454349887 /nfs/dbraw/zinc/34/98/87/454349887.db2.gz QRLOKIHZPKXZFJ-UHFFFAOYSA-N 0 3 342.399 3.259 20 5 EGBDHN CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCS1 ZINC000072861515 454352898 /nfs/dbraw/zinc/35/28/98/454352898.db2.gz PEASEWXWFGRYEB-AWEZNQCLSA-N 0 3 337.445 3.059 20 5 EGBDHN Cc1nn(C)c(NC[C@H]2CCCN(Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000064550833 454490750 /nfs/dbraw/zinc/49/07/50/454490750.db2.gz OBXSLJOCNDHCGO-CYBMUJFWSA-N 0 3 349.460 3.022 20 5 EGBDHN COc1ccc(-c2ccc(CNC[C@H]3CCCN3C)o2)c([N+](=O)[O-])c1 ZINC000102424816 454505397 /nfs/dbraw/zinc/50/53/97/454505397.db2.gz JGSJMHPLKZJQBU-CYBMUJFWSA-N 0 3 345.399 3.047 20 5 EGBDHN CCCCNC(=O)[C@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092710244 454615815 /nfs/dbraw/zinc/61/58/15/454615815.db2.gz LBEPOOVOTKQGKF-INIZCTEOSA-N 0 3 333.432 3.032 20 5 EGBDHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000081126450 454690737 /nfs/dbraw/zinc/69/07/37/454690737.db2.gz USKULHWRFDBRSJ-OAHLLOKOSA-N 0 3 345.424 3.003 20 5 EGBDHN CCOc1ccc([C@@H]2CCCN2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176197511 454710477 /nfs/dbraw/zinc/71/04/77/454710477.db2.gz BATCIEHLYNKUEV-INIZCTEOSA-N 0 3 330.388 3.027 20 5 EGBDHN COc1cc(CN2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000153174817 454767011 /nfs/dbraw/zinc/76/70/11/454767011.db2.gz DDBFMVOTQGFEOV-GHMZBOCLSA-N 0 3 342.342 3.437 20 5 EGBDHN CC[C@@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000141380199 454828507 /nfs/dbraw/zinc/82/85/07/454828507.db2.gz BFYFLZVVQAOLOL-KRWDZBQOSA-N 0 3 326.400 3.263 20 5 EGBDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000144843250 454851061 /nfs/dbraw/zinc/85/10/61/454851061.db2.gz SUUIXDDBFXBTQZ-YOEHRIQHSA-N 0 3 347.459 3.420 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC4(CC3)OCCO4)o2)cc1 ZINC000126083368 454869643 /nfs/dbraw/zinc/86/96/43/454869643.db2.gz PJAAMBVCWKJGEP-UHFFFAOYSA-N 0 3 344.367 3.194 20 5 EGBDHN CCC1(CC)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1OC ZINC000191369892 455481450 /nfs/dbraw/zinc/48/14/50/455481450.db2.gz VZGSVWGYILBBHL-CVEARBPZSA-N 0 3 349.431 3.025 20 5 EGBDHN CC[C@@H](N[C@@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168198474 454925694 /nfs/dbraw/zinc/92/56/94/454925694.db2.gz KHKDWWCGXWFYAF-RHSMWYFYSA-N 0 3 344.390 3.449 20 5 EGBDHN Cc1c(NC(=O)CCN(C)[C@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000128015869 455018565 /nfs/dbraw/zinc/01/85/65/455018565.db2.gz DNGPJSFXJIMANE-CQSZACIVSA-N 0 3 342.399 3.320 20 5 EGBDHN CCN(CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC1 ZINC000171141667 455036164 /nfs/dbraw/zinc/03/61/64/455036164.db2.gz CJXSNBLBVYNCJD-UHFFFAOYSA-N 0 3 333.413 3.024 20 5 EGBDHN CC(C)(O)CN(CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000180215663 455148846 /nfs/dbraw/zinc/14/88/46/455148846.db2.gz ISPLFNFRVMGSGP-UHFFFAOYSA-N 0 3 344.411 3.247 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@H]3C3CCC3)o2)cc1 ZINC000264036472 455187327 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C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000278024905 455736524 /nfs/dbraw/zinc/73/65/24/455736524.db2.gz WQUSDWKFWJDGPB-ZFWWWQNUSA-N 0 3 349.431 3.330 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194026852 455793255 /nfs/dbraw/zinc/79/32/55/455793255.db2.gz NPKBURFQORNZGI-DJIMGWMZSA-N 0 3 332.400 3.041 20 5 EGBDHN COc1ccc(CN2C[C@@H](C)NCc3ccccc32)cc1[N+](=O)[O-] ZINC000261646980 455921453 /nfs/dbraw/zinc/92/14/53/455921453.db2.gz JCYKRCSAKHHSMR-CYBMUJFWSA-N 0 3 327.384 3.102 20 5 EGBDHN Cc1cc(CN(C)C)cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000270347657 455934197 /nfs/dbraw/zinc/93/41/97/455934197.db2.gz BDLNXKVHZZZOOO-UHFFFAOYSA-N 0 3 341.411 3.454 20 5 EGBDHN O=[N+]([O-])c1cnc(NC2CCN(CCc3ccccc3)CC2)s1 ZINC000195508585 455973925 /nfs/dbraw/zinc/97/39/25/455973925.db2.gz DDCKWEUXNIACHF-UHFFFAOYSA-N 0 3 332.429 3.170 20 5 EGBDHN Cn1ncc2c1CCC[C@@H]2NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272604882 456010433 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VQYBTXXDTAIICU-UHFFFAOYSA-N 0 3 347.390 3.423 20 5 EGBDHN COc1ccc(-c2ccc(CN3CC[C@H](C)[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000349407274 456963473 /nfs/dbraw/zinc/96/34/73/456963473.db2.gz NDLGYEWLDILTOZ-YVEFUNNKSA-N 0 3 346.383 3.066 20 5 EGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1 ZINC000363391625 457309563 /nfs/dbraw/zinc/30/95/63/457309563.db2.gz WMLBMEDQLIGVTR-LBPRGKRZSA-N 0 3 349.456 3.063 20 5 EGBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000347350409 457367923 /nfs/dbraw/zinc/36/79/23/457367923.db2.gz AVVQNCATRHUUMH-OVHOFWQVSA-N 0 3 341.415 3.304 20 5 EGBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000347350409 457367926 /nfs/dbraw/zinc/36/79/26/457367926.db2.gz AVVQNCATRHUUMH-OVHOFWQVSA-N 0 3 341.415 3.304 20 5 EGBDHN COC[C@H]1CCCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000369949652 457474143 /nfs/dbraw/zinc/47/41/43/457474143.db2.gz YXJKNNANEGVMAO-AWEZNQCLSA-N 0 3 345.399 3.498 20 5 EGBDHN O=[N+]([O-])c1ccccc1OCCN1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425555224 457596913 /nfs/dbraw/zinc/59/69/13/457596913.db2.gz PZYOGCBYRJDXBE-GOSISDBHSA-N 0 3 346.427 3.255 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cncc(F)c1 ZINC000361137025 457606295 /nfs/dbraw/zinc/60/62/95/457606295.db2.gz UBSBXVALYVFDPB-LBPRGKRZSA-N 0 3 346.362 3.117 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(NCCCN2CCc3ccccc3C2)c1 ZINC000361159134 457619684 /nfs/dbraw/zinc/61/96/84/457619684.db2.gz IDQAZBWWNXUETK-UHFFFAOYSA-N 0 3 341.411 3.464 20 5 EGBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000367934447 457999755 /nfs/dbraw/zinc/99/97/55/457999755.db2.gz IMZVBCRTIKKUNK-KSSFIOAISA-N 0 3 343.427 3.251 20 5 EGBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1occc1C ZINC000412026863 458052921 /nfs/dbraw/zinc/05/29/21/458052921.db2.gz NPCHHTLDFAXIMX-UHFFFAOYSA-N 0 3 331.372 3.347 20 5 EGBDHN CCN(CC)[C@@H](CNc1ncccc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000358766666 458203022 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O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3C=C[C@H](CO)C3)s2)cc1 ZINC000268770399 252219833 /nfs/dbraw/zinc/21/98/33/252219833.db2.gz DUEJEJGNYQOWHB-GXTWGEPZSA-N 0 3 330.409 3.350 20 5 EGBDHN Cc1ccc(CNc2ccc(OCCN(C)C)cc2)cc1[N+](=O)[O-] ZINC000119681764 221376353 /nfs/dbraw/zinc/37/63/53/221376353.db2.gz MUOJOZZTQZVKJS-UHFFFAOYSA-N 0 3 329.400 3.456 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000192365160 144173616 /nfs/dbraw/zinc/17/36/16/144173616.db2.gz GDHUFSCLFCWZRO-QGZVFWFLSA-N 0 3 328.368 3.346 20 5 EGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000351484479 144267898 /nfs/dbraw/zinc/26/78/98/144267898.db2.gz UMYXTDCLHMSKJK-QWHCGFSZSA-N 0 3 345.399 3.191 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN(CC3CC3)C3CCC3)o2)cc1 ZINC000361585569 144332440 /nfs/dbraw/zinc/33/24/40/144332440.db2.gz PYXJIGSOELLOCS-UHFFFAOYSA-N 0 3 328.372 3.409 20 5 EGBDHN CC[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000341222616 155211632 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C[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000359136183 167078220 /nfs/dbraw/zinc/07/82/20/167078220.db2.gz GESQPHVCWBYPBV-SNVBAGLBSA-N 0 3 342.321 3.283 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000359538177 167183983 /nfs/dbraw/zinc/18/39/83/167183983.db2.gz HEPFYBYUEGKPMB-OCCSQVGLSA-N 0 3 331.372 3.047 20 5 EGBDHN CC[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(CC)CC ZINC000359722893 167213882 /nfs/dbraw/zinc/21/38/82/167213882.db2.gz VYBCSOWUJCXKCX-KRWDZBQOSA-N 0 3 333.432 3.206 20 5 EGBDHN O=C1CC[C@@H](NCCc2cccc([N+](=O)[O-])c2)c2cc(F)ccc2N1 ZINC000360612855 167369303 /nfs/dbraw/zinc/36/93/03/167369303.db2.gz KOWITMORESDJRN-MRXNPFEDSA-N 0 3 343.358 3.340 20 5 EGBDHN COCCN1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000122356692 222069896 /nfs/dbraw/zinc/06/98/96/222069896.db2.gz UNZQXCIXSBBPAT-UHFFFAOYSA-N 0 3 348.230 3.424 20 5 EGBDHN Cc1nc(C)c([C@H](C)N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000269629449 266329223 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Cc1ccc(CN[C@H]2CCO[C@@H]2c2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000284698665 275819650 /nfs/dbraw/zinc/81/96/50/275819650.db2.gz JPGLVGBCDCDCGM-YJBOKZPZSA-N 0 3 344.415 3.300 20 5 EGBDHN C[C@@H](NCCC(=O)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000285016799 275842356 /nfs/dbraw/zinc/84/23/56/275842356.db2.gz MGQASWQZRNTCKG-CQSZACIVSA-N 0 3 339.395 3.225 20 5 EGBDHN CN(C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)c1cccs1 ZINC000286727613 276037234 /nfs/dbraw/zinc/03/72/34/276037234.db2.gz DKZOFURTEYSYNB-JTQLQIEISA-N 0 3 349.441 3.376 20 5 EGBDHN O=[N+]([O-])c1cccc(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288696545 276243142 /nfs/dbraw/zinc/24/31/42/276243142.db2.gz DMUPTUHROMEANL-IBGZPJMESA-N 0 3 344.386 3.161 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(F)(F)[C@H](C)C1 ZINC000289788773 276394799 /nfs/dbraw/zinc/39/47/99/276394799.db2.gz MGMVOONJDMCOKD-GFCCVEGCSA-N 0 3 341.358 3.209 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](CO)c1ccc(F)cc1)CCC2 ZINC000414305859 309071798 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EGBDHN CCC[C@@H](C)C(=O)NCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000293032470 308092143 /nfs/dbraw/zinc/09/21/43/308092143.db2.gz AEFAGXXDQFWZDK-DYVFJYSZSA-N 0 3 333.432 3.114 20 5 EGBDHN COCC[C@H](C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414476545 309083015 /nfs/dbraw/zinc/08/30/15/309083015.db2.gz AUQQHUZNSQGZIV-LBPRGKRZSA-N 0 3 335.429 3.481 20 5 EGBDHN O=[N+]([O-])c1ccccc1CN1CCC(CO)(c2ccccc2)CC1 ZINC000293475416 308134024 /nfs/dbraw/zinc/13/40/24/308134024.db2.gz XUDZPPQSBJSKEO-UHFFFAOYSA-N 0 3 326.396 3.121 20 5 EGBDHN C[C@@H](NCc1cccc(N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000293661237 308150605 /nfs/dbraw/zinc/15/06/05/308150605.db2.gz IQWZYPMZMAHWEN-OAHLLOKOSA-N 0 3 341.411 3.282 20 5 EGBDHN C[C@H](NCc1cccc(N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000293766885 308160065 /nfs/dbraw/zinc/16/00/65/308160065.db2.gz RUEDFCBGOWRMFC-HNNXBMFYSA-N 0 3 341.411 3.282 20 5 EGBDHN C[C@H](NC[C@@H](c1ccsc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293829041 308165902 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O=[N+]([O-])c1ccsc1NCc1ccccc1CN1CCC(O)CC1 ZINC000302035717 308726243 /nfs/dbraw/zinc/72/62/43/308726243.db2.gz UMWLPXLTXJYYBL-UHFFFAOYSA-N 0 3 347.440 3.225 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413175121 309019575 /nfs/dbraw/zinc/01/95/75/309019575.db2.gz QWBZYGYLLSUKRY-DYVFJYSZSA-N 0 3 344.390 3.451 20 5 EGBDHN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000413172741 309019697 /nfs/dbraw/zinc/01/96/97/309019697.db2.gz PZCXALIKHKICTC-CQSZACIVSA-N 0 3 344.390 3.230 20 5 EGBDHN O=[N+]([O-])c1ccc(CNC[C@H]2NCCc3ccccc32)c(Cl)c1 ZINC000414954669 309111231 /nfs/dbraw/zinc/11/12/31/309111231.db2.gz LSHCLFZDEWHRAY-QGZVFWFLSA-N 0 3 331.803 3.225 20 5 EGBDHN C[C@@](O)(CN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000417313420 309201392 /nfs/dbraw/zinc/20/13/92/309201392.db2.gz VYAQVDBJVPIKPU-UONOGXRCSA-N 0 3 332.322 3.265 20 5 EGBDHN CCn1cccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1=O ZINC000417334287 309202130 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CC1(C)CCN(CC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000563408833 316016379 /nfs/dbraw/zinc/01/63/79/316016379.db2.gz NJNDZSYTFJZULU-MRXNPFEDSA-N 0 3 345.443 3.033 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000565510910 316332970 /nfs/dbraw/zinc/33/29/70/316332970.db2.gz KFTIOKSLCNCBRC-KGLIPLIRSA-N 0 3 348.447 3.399 20 5 EGBDHN C[C@H](C(=O)N(CCN(C)C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000582882123 325476897 /nfs/dbraw/zinc/47/68/97/325476897.db2.gz NRUCRMOFCLXTDF-HNNXBMFYSA-N 0 3 341.411 3.293 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCCOC3)cs2)c1 ZINC000237996464 455242475 /nfs/dbraw/zinc/24/24/75/455242475.db2.gz FFXMUHWLTUNRJT-GFCCVEGCSA-N 0 3 333.413 3.235 20 5 EGBDHN C[C@H](NCc1cccc(OCCN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173329696 455266631 /nfs/dbraw/zinc/26/66/31/455266631.db2.gz DMBJDCPFVSCERN-HNNXBMFYSA-N 0 3 343.427 3.386 20 5 EGBDHN C[C@H](CN1CCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000075986281 453945674 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Cc1ccc([C@@H](C)NCc2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000130907306 454225424 /nfs/dbraw/zinc/22/54/24/454225424.db2.gz VXEHRZKDNXHIEW-GFCCVEGCSA-N 0 3 328.372 3.245 20 5 EGBDHN CCN1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cn3)c(C)c2)CC1 ZINC000071826602 454226180 /nfs/dbraw/zinc/22/61/80/454226180.db2.gz ALAMMYKDVOAGED-UHFFFAOYSA-N 0 3 341.415 3.184 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000119917094 454235655 /nfs/dbraw/zinc/23/56/55/454235655.db2.gz BLGQPBMDCMWURF-XHSDSOJGSA-N 0 3 335.448 3.053 20 5 EGBDHN COC(=O)CC(C)(C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000072294900 454288998 /nfs/dbraw/zinc/28/89/98/454288998.db2.gz MXTZVRFUQNRDCO-UHFFFAOYSA-N 0 3 332.356 3.286 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H](C)S[C@@H](C)C1 ZINC000072769260 454338179 /nfs/dbraw/zinc/33/81/79/454338179.db2.gz ZBRCUILEQBXOHK-STQMWFEESA-N 0 3 337.445 3.058 20 5 EGBDHN Cn1c(CNCCc2ccc([N+](=O)[O-])cc2)nc2cc(Cl)ccc21 ZINC000122007693 454503525 /nfs/dbraw/zinc/50/35/25/454503525.db2.gz OMYPUDBYCYSKBE-UHFFFAOYSA-N 0 3 344.802 3.467 20 5 EGBDHN C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC000123009685 454591870 /nfs/dbraw/zinc/59/18/70/454591870.db2.gz SAIMTKAIMAITFH-RYUDHWBXSA-N 0 3 328.372 3.497 20 5 EGBDHN CC(C)N1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092649621 454600502 /nfs/dbraw/zinc/60/05/02/454600502.db2.gz KIGBMMFYLCDJKA-UHFFFAOYSA-N 0 3 329.347 3.117 20 5 EGBDHN CC(C)(NC/C=C/c1ccccc1[N+](=O)[O-])C(=O)NCC1CCCC1 ZINC000136026985 454715762 /nfs/dbraw/zinc/71/57/62/454715762.db2.gz NNDMWBYXVDTBJB-YRNVUSSQSA-N 0 3 345.443 3.283 20 5 EGBDHN COc1ccc([C@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000136891281 454760376 /nfs/dbraw/zinc/76/03/76/454760376.db2.gz MKLSXQTYRQTNBM-MOPGFXCFSA-N 0 3 342.395 3.474 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000191392886 455483215 /nfs/dbraw/zinc/48/32/15/455483215.db2.gz QVYOUGFVLLPTSH-AWEZNQCLSA-N 0 3 334.420 3.208 20 5 EGBDHN C[C@H]1C[C@H](N(C)c2ncccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000150875389 454906247 /nfs/dbraw/zinc/90/62/47/454906247.db2.gz JEGNWJXQZKLCSR-DOTOQJQBSA-N 0 3 340.427 3.479 20 5 EGBDHN O=[N+]([O-])c1ccc(CCNCc2cncc(Br)c2)cc1 ZINC000166879169 454916842 /nfs/dbraw/zinc/91/68/42/454916842.db2.gz UWRWFGCQUXLTRH-UHFFFAOYSA-N 0 3 336.189 3.085 20 5 EGBDHN CC[C@@H]1CCCCN1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000113520624 454927909 /nfs/dbraw/zinc/92/79/09/454927909.db2.gz SIKHEYCHCABKIJ-CQSZACIVSA-N 0 3 334.420 3.289 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cc4ccccc4o3)C2)nc1 ZINC000178537050 454960677 /nfs/dbraw/zinc/96/06/77/454960677.db2.gz FGOFORDLRYSFDF-AWEZNQCLSA-N 0 3 338.367 3.422 20 5 EGBDHN C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCOCC1 ZINC000179857496 455090351 /nfs/dbraw/zinc/09/03/51/455090351.db2.gz TXJAXKJNQAWVEC-NEPJUHHUSA-N 0 3 346.387 3.111 20 5 EGBDHN Cc1ccnc(NCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000180041321 455121128 /nfs/dbraw/zinc/12/11/28/455121128.db2.gz QPTNAXBCYCXGGW-UHFFFAOYSA-N 0 3 327.388 3.022 20 5 EGBDHN COC(=O)[C@]1(C)CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180081269 455128430 /nfs/dbraw/zinc/12/84/30/455128430.db2.gz PQGGRRNEUCTSFJ-GOSISDBHSA-N 0 3 344.367 3.240 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN2C[C@H]3CCCC[C@]32c2ccccc2)n1 ZINC000152507981 455129567 /nfs/dbraw/zinc/12/95/67/455129567.db2.gz SNMUTGRGIQEPHW-AEFFLSMTSA-N 0 3 326.400 3.193 20 5 EGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H](N2CCCCC2)C1 ZINC000264435084 455213354 /nfs/dbraw/zinc/21/33/54/455213354.db2.gz BDFUSWDMWHKSEU-HNNXBMFYSA-N 0 3 343.383 3.041 20 5 EGBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000245498773 455314660 /nfs/dbraw/zinc/31/46/60/455314660.db2.gz WWMWXDGZUBYOJN-QMTHXVAHSA-N 0 3 340.811 3.052 20 5 EGBDHN C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000265939247 455411072 /nfs/dbraw/zinc/41/10/72/455411072.db2.gz HEJSGGQECJSEDU-BBRMVZONSA-N 0 3 347.459 3.305 20 5 EGBDHN Cc1cc(NC(=O)N2CCCN(C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000184608894 455413010 /nfs/dbraw/zinc/41/30/10/455413010.db2.gz HEKIMKVXRRAQLR-UHFFFAOYSA-N 0 3 346.431 3.385 20 5 EGBDHN C[C@@H](N[C@H](CO)Cc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000266758018 455448638 /nfs/dbraw/zinc/44/86/38/455448638.db2.gz FMOWRKBARZWZAX-CJNGLKHVSA-N 0 3 339.395 3.330 20 5 EGBDHN Cc1cccc([C@@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000246210070 455449248 /nfs/dbraw/zinc/44/92/48/455449248.db2.gz CBCFNVUMWOQVFQ-ZWKOTPCHSA-N 0 3 327.384 3.169 20 5 EGBDHN CCOC(=O)[C@@](C)(CNCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000191636085 455505387 /nfs/dbraw/zinc/50/53/87/455505387.db2.gz TVSLGBWYPDQKLO-IBGZPJMESA-N 0 3 342.395 3.205 20 5 EGBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000161170231 455543109 /nfs/dbraw/zinc/54/31/09/455543109.db2.gz GGBVPROSVUDAAZ-MFKMUULPSA-N 0 3 331.338 3.390 20 5 EGBDHN CCOc1ccc(NC(=O)CN[C@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000182704252 455571965 /nfs/dbraw/zinc/57/19/65/455571965.db2.gz INMUWAJZENUWRI-CYBMUJFWSA-N 0 3 349.431 3.490 20 5 EGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1cc(C)nn1C ZINC000284108114 455636777 /nfs/dbraw/zinc/63/67/77/455636777.db2.gz CBWQCLIPCJXMHE-ZDUSSCGKSA-N 0 3 334.445 3.297 20 5 EGBDHN CCOc1ccc([C@@H](C)NCCOc2ncccc2F)cc1[N+](=O)[O-] ZINC000271546436 455679572 /nfs/dbraw/zinc/67/95/72/455679572.db2.gz UHHZLDOUZKOOCS-GFCCVEGCSA-N 0 3 349.362 3.257 20 5 EGBDHN COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(C)n2)N(C)C)c1 ZINC000268507051 455702873 /nfs/dbraw/zinc/70/28/73/455702873.db2.gz RHEOODQLRIRXKD-INIZCTEOSA-N 0 3 330.388 3.022 20 5 EGBDHN CC[C@H](NC[C@@H](O)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000268935052 455735460 /nfs/dbraw/zinc/73/54/60/455735460.db2.gz ROXZCGHVYWSYIH-ZWKOTPCHSA-N 0 3 330.384 3.378 20 5 EGBDHN C[C@@H](c1ccc(F)cc1)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000198864790 456013475 /nfs/dbraw/zinc/01/34/75/456013475.db2.gz SXUDHFAHHJYHFP-GUYCJALGSA-N 0 3 348.374 3.167 20 5 EGBDHN CCC(=O)c1ccc(N2CCC[C@H]3CN(C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000280648116 456022366 /nfs/dbraw/zinc/02/23/66/456022366.db2.gz FEDGQKFTVHOJNS-LSDHHAIUSA-N 0 3 331.416 3.108 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)c(F)c1 ZINC000270828209 456048304 /nfs/dbraw/zinc/04/83/04/456048304.db2.gz CIFVDLVSIPHRIG-ZDUSSCGKSA-N 0 3 345.378 3.109 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(F)c1 ZINC000270828209 456048309 /nfs/dbraw/zinc/04/83/09/456048309.db2.gz CIFVDLVSIPHRIG-ZDUSSCGKSA-N 0 3 345.378 3.109 20 5 EGBDHN COc1cc(NC[C@H](C)N2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301359520 456098971 /nfs/dbraw/zinc/09/89/71/456098971.db2.gz LMADBUPOAXVXKE-AWEZNQCLSA-N 0 3 341.411 3.462 20 5 EGBDHN Cc1cnc(NC2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000301369658 456100881 /nfs/dbraw/zinc/10/08/81/456100881.db2.gz RYZIPDNEPCVIDC-UHFFFAOYSA-N 0 3 326.400 3.375 20 5 EGBDHN C[C@@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000301563188 456147994 /nfs/dbraw/zinc/14/79/94/456147994.db2.gz VJSYADNDOLDQGS-ZBFHGGJFSA-N 0 3 326.400 3.455 20 5 EGBDHN CC(C)c1ccc([C@H](N)CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000236777129 456182583 /nfs/dbraw/zinc/18/25/83/456182583.db2.gz WHNMVTCUUJWUFN-QGZVFWFLSA-N 0 3 345.374 3.287 20 5 EGBDHN CC1(C)CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1O ZINC000275976539 456361485 /nfs/dbraw/zinc/36/14/85/456361485.db2.gz MGJZYCABJQBDRN-QGZVFWFLSA-N 0 3 330.384 3.448 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@H](n4cccn4)C3)o2)cc1 ZINC000291189732 456558985 /nfs/dbraw/zinc/55/89/85/456558985.db2.gz GLDYRLXAWKLBEG-INIZCTEOSA-N 0 3 338.367 3.498 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@H](n3cccn3)C2)o1 ZINC000291236675 456574398 /nfs/dbraw/zinc/57/43/98/456574398.db2.gz KUEDBKIEZMJJGJ-AWEZNQCLSA-N 0 3 338.367 3.498 20 5 EGBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000348310919 456614949 /nfs/dbraw/zinc/61/49/49/456614949.db2.gz SZWWVVVEZJGDOH-SKDRFNHKSA-N 0 3 338.713 3.448 20 5 EGBDHN C[C@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000324614470 456670413 /nfs/dbraw/zinc/67/04/13/456670413.db2.gz LWRFGZUWQMJNHB-QWRGUYRKSA-N 0 3 326.356 3.176 20 5 EGBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(N2CCCC2)nc1 ZINC000283063817 456702960 /nfs/dbraw/zinc/70/29/60/456702960.db2.gz PTTXNVSGXLXPOF-UHFFFAOYSA-N 0 3 340.427 3.265 20 5 EGBDHN CNC(=O)[C@H](C)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000291861751 456781551 /nfs/dbraw/zinc/78/15/51/456781551.db2.gz HQLDKZCEDQVAIJ-QWRGUYRKSA-N 0 3 333.413 3.108 20 5 EGBDHN CO[C@H]1CCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000341274839 456829732 /nfs/dbraw/zinc/82/97/32/456829732.db2.gz YCXDZIPCCBVQFK-MFKMUULPSA-N 0 3 330.331 3.101 20 5 EGBDHN Cc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000353708889 456865421 /nfs/dbraw/zinc/86/54/21/456865421.db2.gz IQKIOCMBUBZGEN-MRXNPFEDSA-N 0 3 326.400 3.293 20 5 EGBDHN COC(=O)CCN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)C ZINC000338997019 456892433 /nfs/dbraw/zinc/89/24/33/456892433.db2.gz ZETCQTWRZRWFQW-UHFFFAOYSA-N 0 3 348.321 3.387 20 5 EGBDHN CC[C@H](N[C@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353788522 456906342 /nfs/dbraw/zinc/90/63/42/456906342.db2.gz BNWBBJBOPKWBDG-ZOBUZTSGSA-N 0 3 333.432 3.329 20 5 EGBDHN COc1cc(CNC2CCC(F)(F)CC2)c([N+](=O)[O-])cc1OC ZINC000341717485 456912224 /nfs/dbraw/zinc/91/22/24/456912224.db2.gz DLOFXGSTCGQGFS-UHFFFAOYSA-N 0 3 330.331 3.280 20 5 EGBDHN CN(C)CC1(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000341960204 457026245 /nfs/dbraw/zinc/02/62/45/457026245.db2.gz JKPQNYWDFJLCDF-UHFFFAOYSA-N 0 3 333.432 3.106 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H]3CC[C@@H](O)[C@@H]3C2)o1 ZINC000346323222 457032566 /nfs/dbraw/zinc/03/25/66/457032566.db2.gz FVBKYPAMNUAZEQ-XGWLTEMNSA-N 0 3 328.368 3.058 20 5 EGBDHN COc1c(C(=O)Nc2ccc(C)cc2CN(C)C)cccc1[N+](=O)[O-] ZINC000356111537 457455642 /nfs/dbraw/zinc/45/56/42/457455642.db2.gz DUXBVUHXLGXDPF-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 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CC(C)[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(CO)CCCC1 ZINC000459544114 458406289 /nfs/dbraw/zinc/40/62/89/458406289.db2.gz QFFHMXQVCYOYJD-KRWDZBQOSA-N 0 3 346.431 3.138 20 5 EGBDHN Cc1ccc(C)c(OCCN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373247972 458443173 /nfs/dbraw/zinc/44/31/73/458443173.db2.gz VIAKIADCKNYTJW-UHFFFAOYSA-N 0 3 344.415 3.124 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@](O)(C4CC4)C3)o2)c1 ZINC000373318858 458460023 /nfs/dbraw/zinc/46/00/23/458460023.db2.gz MRWIHOOTTBKDSN-GOSISDBHSA-N 0 3 328.368 3.202 20 5 EGBDHN CCCC[C@H]1CCC[C@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000460357632 458513543 /nfs/dbraw/zinc/51/35/43/458513543.db2.gz UTGKZRSFEOYMDH-DZGCQCFKSA-N 0 3 349.431 3.490 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCNC(=O)CC1CCCC1 ZINC000468642579 458529758 /nfs/dbraw/zinc/52/97/58/458529758.db2.gz LCXXHYLSXJLZKT-RVDMUPIBSA-N 0 3 345.443 3.284 20 5 EGBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H]1C ZINC000470139386 458615886 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Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594075434 460089471 /nfs/dbraw/zinc/08/94/71/460089471.db2.gz XAAHTRKDOKCIAL-HOCLYGCPSA-N 0 3 346.431 3.350 20 5 EGBDHN Cc1c(CN2CCCN(c3ccncc3)CC2)cccc1[N+](=O)[O-] ZINC000602845422 460155353 /nfs/dbraw/zinc/15/53/53/460155353.db2.gz KSXSMSUDGLYWMP-UHFFFAOYSA-N 0 3 326.400 3.011 20 5 EGBDHN CN(CCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000599095474 460159871 /nfs/dbraw/zinc/15/98/71/460159871.db2.gz VZHBULOAPWDIGU-OAHLLOKOSA-N 0 3 327.375 3.149 20 5 EGBDHN C[S@@](=O)c1ccc(CNC/C=C\c2ccccc2[N+](=O)[O-])cc1 ZINC000610575193 460187141 /nfs/dbraw/zinc/18/71/41/460187141.db2.gz MOLMZIKRWOCZJM-GXOSZSFXSA-N 0 3 330.409 3.135 20 5 EGBDHN Cc1cccc(C)c1OC[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610804526 460240202 /nfs/dbraw/zinc/24/02/02/460240202.db2.gz ZABVZTFHZLAMOH-CRAIPNDOSA-N 0 3 344.411 3.302 20 5 EGBDHN Cc1ccc(CN2CC[C@@H](CN(C)c3cccnc3[N+](=O)[O-])C2)s1 ZINC000603399161 460296992 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CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)[C@@H]2C1 ZINC000611510227 460382539 /nfs/dbraw/zinc/38/25/39/460382539.db2.gz OWLLYWJGXCUVCW-RHSMWYFYSA-N 0 3 338.411 3.187 20 5 EGBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(OC(F)(F)F)cc1 ZINC000130984754 533876315 /nfs/dbraw/zinc/87/63/15/533876315.db2.gz SFEMWCQSPLAVBM-JTQLQIEISA-N 0 3 344.293 3.041 20 5 EGBDHN C[C@H](c1cccnc1)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129531154 534148448 /nfs/dbraw/zinc/14/84/48/534148448.db2.gz SGRPIIXXILXSBO-GFCCVEGCSA-N 0 3 346.362 3.151 20 5 EGBDHN CC(C)c1ccc(C(=O)N(C)C[C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000189816431 528059461 /nfs/dbraw/zinc/05/94/61/528059461.db2.gz PNWPGQHODQCZLV-CQSZACIVSA-N 0 3 333.432 3.132 20 5 EGBDHN CCc1cccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000346469767 535886468 /nfs/dbraw/zinc/88/64/68/535886468.db2.gz AEBVRADPGBUWFZ-INIZCTEOSA-N 0 3 326.400 3.239 20 5 EGBDHN O=[N+]([O-])c1ccc2cnn(CN3CC[C@@H](Cc4ccccc4)C3)c2c1 ZINC000742152695 576752303 /nfs/dbraw/zinc/75/23/03/576752303.db2.gz KPXKDFCIMRAXTD-INIZCTEOSA-N 0 3 336.395 3.467 20 5 EGBDHN Cc1c(CNC[C@@](C)(O)c2ccc(F)cc2F)cccc1[N+](=O)[O-] ZINC000873049586 1297247317 /nfs/dbraw/zinc/24/73/17/1297247317.db2.gz CLGLPFNJMZXEQZ-QGZVFWFLSA-N 0 3 336.338 3.179 20 5 EGBDHN Cc1cc(Cl)c(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000832295759 1292984333 /nfs/dbraw/zinc/98/43/33/1292984333.db2.gz HKMXINDOGLDODJ-GFCCVEGCSA-N 0 3 339.823 3.159 20 5 EGBDHN CC(C)C[C@H]1CCCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129590557 1293627825 /nfs/dbraw/zinc/62/78/25/1293627825.db2.gz MKWJDNBOZLSPMH-MRXNPFEDSA-N 0 3 329.404 3.321 20 5 EGBDHN Cc1cc(F)ncc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870455422 1295882215 /nfs/dbraw/zinc/88/22/15/1295882215.db2.gz ZJVJHMVBNJCEOZ-BMIGLBTASA-N 0 3 336.294 3.232 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN1CCSCC1 ZINC000872034329 1296683814 /nfs/dbraw/zinc/68/38/14/1296683814.db2.gz GUQMFBPTYLLTEY-LBPRGKRZSA-N 0 3 341.502 3.016 20 5 EGBDHN COC(=O)CC[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000877822643 1299588560 /nfs/dbraw/zinc/58/85/60/1299588560.db2.gz SYFYRUIIBDQDLO-PXTSUWAFSA-N 0 3 332.400 3.273 20 5 EGBDHN COC(=O)CC[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877822641 1299588923 /nfs/dbraw/zinc/58/89/23/1299588923.db2.gz SYFYRUIIBDQDLO-KKTNHOPESA-N 0 3 332.400 3.273 20 5 EGBDHN CC(C)C[C@@H]1CCCN1CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752789872 1299794161 /nfs/dbraw/zinc/79/41/61/1299794161.db2.gz QMIUZULEACUAEJ-HNNXBMFYSA-N 0 3 346.431 3.305 20 5 EGBDHN Cc1ccc([C@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000754679391 1300188923 /nfs/dbraw/zinc/18/89/23/1300188923.db2.gz XLJYTUQKBKAIBU-LBPRGKRZSA-N 0 3 333.413 3.278 20 5 EGBDHN Cc1ccc([C@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000754675003 1300189149 /nfs/dbraw/zinc/18/91/49/1300189149.db2.gz ODXWJDWKJXVNEI-LBPRGKRZSA-N 0 3 345.424 3.205 20 5 EGBDHN CN(C)Cc1cccc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000756992472 1300606497 /nfs/dbraw/zinc/60/64/97/1300606497.db2.gz CEINSUCSJPMGMF-UHFFFAOYSA-N 0 3 347.802 3.240 20 5 EGBDHN COc1cc(NC[C@H]2CCCCN2C2CC2)c([N+](=O)[O-])cc1OC ZINC000764941125 1302173264 /nfs/dbraw/zinc/17/32/64/1302173264.db2.gz MXEJAYMIOCCYDV-CYBMUJFWSA-N 0 3 335.404 3.041 20 5 EGBDHN Cc1nn(CN(C)CCc2cccs2)c2ccc([N+](=O)[O-])cc12 ZINC000765038626 1302188190 /nfs/dbraw/zinc/18/81/90/1302188190.db2.gz MYDRYFAERQCBCL-UHFFFAOYSA-N 0 3 330.413 3.446 20 5 EGBDHN Cc1ccc([C@@H](C)NCCNC(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000765310605 1302243976 /nfs/dbraw/zinc/24/39/76/1302243976.db2.gz NDVJFXNLBZTGQC-CYBMUJFWSA-N 0 3 345.374 3.123 20 5 EGBDHN CC(C)(C)OC(=O)NCCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000774834421 1303864991 /nfs/dbraw/zinc/86/49/91/1303864991.db2.gz VNFOJDNLXMUGIC-UHFFFAOYSA-N 0 3 349.431 3.474 20 5 EGBDHN CCOc1ccc(CN(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776272771 1304125572 /nfs/dbraw/zinc/12/55/72/1304125572.db2.gz WALJNJZMBUDUMM-SFHVURJKSA-N 0 3 330.384 3.159 20 5 EGBDHN Cc1ccccc1OCCCN(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275930 1304126836 /nfs/dbraw/zinc/12/68/36/1304126836.db2.gz IRHLSHHLMNFIBB-GOSISDBHSA-N 0 3 344.411 3.338 20 5 EGBDHN COc1c([O-])ccc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000892018762 1305229811 /nfs/dbraw/zinc/22/98/11/1305229811.db2.gz IZFBPLDUBRPZBS-LBPRGKRZSA-N 0 3 346.383 3.078 20 5 EGBDHN COc1c([O-])ccc(C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000892018762 1305229817 /nfs/dbraw/zinc/22/98/17/1305229817.db2.gz IZFBPLDUBRPZBS-LBPRGKRZSA-N 0 3 346.383 3.078 20 5 EGBDHN COc1c(O)ccc(CN(C)[C@@H](C)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000892018762 1305229824 /nfs/dbraw/zinc/22/98/24/1305229824.db2.gz IZFBPLDUBRPZBS-LBPRGKRZSA-N 0 3 346.383 3.078 20 5 EGBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCC[C@H](SC)C2)c1[N+](=O)[O-] ZINC000892951079 1305623730 /nfs/dbraw/zinc/62/37/30/1305623730.db2.gz RJFOAHFZVRNUIS-RYUDHWBXSA-N 0 3 326.418 3.073 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@]1(O)CCc2ccccc21 ZINC000893180184 1305747902 /nfs/dbraw/zinc/74/79/02/1305747902.db2.gz CMJXVZFLLLALOW-KRWDZBQOSA-N 0 3 332.787 3.172 20 5 EGBDHN COc1c([O-])ccc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC000894217291 1306283678 /nfs/dbraw/zinc/28/36/78/1306283678.db2.gz SQMMTFUELJCURW-CTYIDZIISA-N 0 3 346.358 3.484 20 5 EGBDHN COc1c(O)ccc(CNC[C@@H]2CCCCC2(F)F)c1[N+](=O)[O-] ZINC000894669214 1309014488 /nfs/dbraw/zinc/01/44/88/1309014488.db2.gz ZRSQPZJZHYPTHR-NSHDSACASA-N 0 3 330.331 3.224 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCCCC2(F)F)c1[N+](=O)[O-] ZINC000894669214 1309014498 /nfs/dbraw/zinc/01/44/98/1309014498.db2.gz ZRSQPZJZHYPTHR-NSHDSACASA-N 0 3 330.331 3.224 20 5 EGBDHN CN(CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000804535104 1317256510 /nfs/dbraw/zinc/25/65/10/1317256510.db2.gz NWIUMWQOCSDWPT-UHFFFAOYSA-N 0 3 348.334 3.186 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1COc2ccccc2[C@H]1O ZINC000808729547 1317725028 /nfs/dbraw/zinc/72/50/28/1317725028.db2.gz LUXAVEWEPOQSRX-ULFGMLNVSA-N 0 3 328.368 3.048 20 5 EGBDHN C[C@H]1CC[C@H](C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001020952013 1318010472 /nfs/dbraw/zinc/01/04/72/1318010472.db2.gz ATGQDNIGGMWFPR-OTGFBMJZSA-N 0 3 345.443 3.158 20 5 EGBDHN CCc1cccc2c1OCC[C@@H]2NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818997629 1319610212 /nfs/dbraw/zinc/61/02/12/1319610212.db2.gz HLMGZPXRAQPUMR-ZWKOTPCHSA-N 0 3 342.395 3.304 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCCOc3c(F)cccc32)c1 ZINC000819213989 1319671463 /nfs/dbraw/zinc/67/14/63/1319671463.db2.gz NBLJOZDEHMHXIA-IAGOWNOFSA-N 0 3 346.358 3.271 20 5 EGBDHN CCOc1cc(CN(C)C[C@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000823607116 1320192071 /nfs/dbraw/zinc/19/20/71/1320192071.db2.gz YVPJUOIKXNGFHE-IBGZPJMESA-N 0 3 344.411 3.333 20 5 EGBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825041045 1320305714 /nfs/dbraw/zinc/30/57/14/1320305714.db2.gz ZREXGOKURSTJFA-YPMHNXCESA-N 0 3 326.780 3.070 20 5 EGBDHN CC(C)N(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCC1 ZINC000839522339 1320932446 /nfs/dbraw/zinc/93/24/46/1320932446.db2.gz XCCHUTQNXWHLPE-UHFFFAOYSA-N 0 3 325.796 3.450 20 5 EGBDHN CC([C@H](OC(=O)COCc1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845872723 1321746990 /nfs/dbraw/zinc/74/69/90/1321746990.db2.gz MVTNALXWFCBBFO-UGSOOPFHSA-N 0 3 347.342 3.292 20 5 EGBDHN Cc1ccc(OCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845872739 1321747154 /nfs/dbraw/zinc/74/71/54/1321747154.db2.gz NBGOSWRWONWRSQ-ACJLOTCBSA-N 0 3 347.342 3.463 20 5 EGBDHN CO[C@H](CC(C)C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876439 1321748692 /nfs/dbraw/zinc/74/86/92/1321748692.db2.gz FORJXTOJYVLVGG-KCPJHIHWSA-N 0 3 327.352 3.136 20 5 EGBDHN CC(C)n1nccc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879412 1321750399 /nfs/dbraw/zinc/75/03/99/1321750399.db2.gz USMUTRCIPNOWJE-IAQYHMDHSA-N 0 3 335.335 3.166 20 5 EGBDHN CC([C@@H](OC(=O)C1Cc2ccccc2C1)c1ccccc1F)[N+](=O)[O-] ZINC000845884389 1321751474 /nfs/dbraw/zinc/75/14/74/1321751474.db2.gz YUHCJDWVIPMWMN-KZULUSFZSA-N 0 3 343.354 3.490 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000850431358 1322248043 /nfs/dbraw/zinc/24/80/43/1322248043.db2.gz BNWRKYBOCSHMGT-LBPRGKRZSA-N 0 3 345.355 3.405 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](O)c1cccc(C)c1 ZINC000850445877 1322250212 /nfs/dbraw/zinc/25/02/12/1322250212.db2.gz JQKJMIJITCGHSN-GUYCJALGSA-N 0 3 330.384 3.296 20 5 EGBDHN CC([C@@H](OC(=O)[C@@H]1C[C@H]1OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000851109000 1322336177 /nfs/dbraw/zinc/33/61/77/1322336177.db2.gz UGMJTLYTUKCMJF-QMGNLALYSA-N 0 3 339.363 3.279 20 5 EGBDHN CCCN(CCN1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000854430827 1325259391 /nfs/dbraw/zinc/25/93/91/1325259391.db2.gz MBCFTFWJFQKSJX-UHFFFAOYSA-N 0 3 337.395 3.072 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1C1CC1 ZINC000935662738 1330069277 /nfs/dbraw/zinc/06/92/77/1330069277.db2.gz JHGCNHAJIBCOCY-AWEZNQCLSA-N 0 3 349.456 3.063 20 5 EGBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1nn(C)c2ccccc12 ZINC000866341495 1330098788 /nfs/dbraw/zinc/09/87/88/1330098788.db2.gz YIGLRTAQHMMVDY-GFCCVEGCSA-N 0 3 342.374 3.341 20 5 EGBDHN Cc1cc(N2CCN(C)CC2)ccc1Nc1cccc([N+](=O)[O-])c1 ZINC001204469509 1370484626 /nfs/dbraw/zinc/48/46/26/1370484626.db2.gz SNTZDDZUVBUPJB-UHFFFAOYSA-N 0 3 326.400 3.399 20 5 EGBDHN Cc1ccc(Nc2cccc(CN3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC001213669997 1372942820 /nfs/dbraw/zinc/94/28/20/1372942820.db2.gz CLHODOGBWOGUFR-UHFFFAOYSA-N 0 3 340.427 3.394 20 5 EGBDHN O=[N+]([O-])c1cc2[n-]c(OC3CCC4(C[NH2+]C4)CC3)nc2cc1Cl ZINC001218264401 1373586053 /nfs/dbraw/zinc/58/60/53/1373586053.db2.gz XERMBZUWIGDZMY-UHFFFAOYSA-N 0 3 336.779 3.036 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@@H]1CNCCC1(F)F ZINC001218449304 1373614758 /nfs/dbraw/zinc/61/47/58/1373614758.db2.gz TVQDKGCTKDUPLD-SNVBAGLBSA-N 0 3 327.114 3.278 20 5 EGBDHN CC(C)N1CCC[C@@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225893485 1375170554 /nfs/dbraw/zinc/17/05/54/1375170554.db2.gz SEVLNTNJGNRVJA-LLVKDONJSA-N 0 3 333.310 3.260 20 5 EGBDHN Cc1ccnc(OC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001226115628 1375205172 /nfs/dbraw/zinc/20/51/72/1375205172.db2.gz GMXLZUVJCCZNPL-UHFFFAOYSA-N 0 3 327.384 3.342 20 5 EGBDHN CCN1CCC[C@@H](Oc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229140929 1375773680 /nfs/dbraw/zinc/77/36/80/1375773680.db2.gz IPABVKKKTWJIAA-GFCCVEGCSA-N 0 3 329.194 3.220 20 5 EGBDHN CCN1CCC[C@H](Oc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC001229140930 1375773283 /nfs/dbraw/zinc/77/32/83/1375773283.db2.gz IPABVKKKTWJIAA-LBPRGKRZSA-N 0 3 329.194 3.220 20 5 EGBDHN O=C1CCC2(CCN(Cc3ccc4ccc5cccnc5c4n3)CC2)N1 ZINC001232227305 1376419307 /nfs/dbraw/zinc/41/93/07/1376419307.db2.gz JHCTZSDMMYBOKU-UHFFFAOYSA-N 0 3 346.434 3.028 20 5 EGBDHN CN1CCC(CC(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)CC1 ZINC001143359145 1378587140 /nfs/dbraw/zinc/58/71/40/1378587140.db2.gz BNHBZYAFRZGQIR-UHFFFAOYSA-N 0 3 349.434 3.061 20 5 EGBDHN O=C(CCC1CCCCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001149786453 1379445822 /nfs/dbraw/zinc/44/58/22/1379445822.db2.gz WCCBZGQINUHANQ-UHFFFAOYSA-N 0 3 333.432 3.161 20 5 EGBDHN O=[N+]([O-])c1cc(F)cnc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC001156531111 1380589416 /nfs/dbraw/zinc/58/94/16/1380589416.db2.gz NFJCBZSFVSQLLT-INIZCTEOSA-N 0 3 330.363 3.378 20 5 EGBDHN NCc1ccc2c(n1)N(c1ccc3ccc([N+](=O)[O-])cc3n1)CCC2 ZINC001158648670 1381336078 /nfs/dbraw/zinc/33/60/78/1381336078.db2.gz DSCANYNCIWIFJD-UHFFFAOYSA-N 0 3 335.367 3.081 20 5 EGBDHN C[C@@H](Nc1ccc2ccc3ccc(Cl)nc3c2n1)[C@H]1CNCCO1 ZINC001159499387 1381807874 /nfs/dbraw/zinc/80/78/74/1381807874.db2.gz PLXVCDPFRNOTOZ-BXUZGUMPSA-N 0 3 342.830 3.225 20 5 EGBDHN CC1(C)CC(CC(=O)NCCCNCc2csc([N+](=O)[O-])c2)C1 ZINC001164483515 1383191563 /nfs/dbraw/zinc/19/15/63/1383191563.db2.gz NUAHSBCMMYYKEH-UHFFFAOYSA-N 0 3 339.461 3.079 20 5 EGBDHN CC(C)(C)N1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1 ZINC001165094930 1383227408 /nfs/dbraw/zinc/22/74/08/1383227408.db2.gz 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COc1ccc(C[C@H](C)NCc2cn(C3CCC3)cn2)c([N+](=O)[O-])c1 ZINC001170325192 1384291321 /nfs/dbraw/zinc/29/13/21/1384291321.db2.gz SSCYHSZLXLMFQU-ZDUSSCGKSA-N 0 3 344.415 3.246 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@@H](F)CC2)c1F ZINC001173178290 1384931809 /nfs/dbraw/zinc/93/18/09/1384931809.db2.gz AEDMUMSEFHKARF-VXGBXAGGSA-N 0 3 328.359 3.498 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2ncccc2C)c1F ZINC001173175610 1384931910 /nfs/dbraw/zinc/93/19/10/1384931910.db2.gz PYUKJJVECKIERA-GFCCVEGCSA-N 0 3 333.363 3.167 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(OC2CCC2)ncn1 ZINC001173226566 1384939743 /nfs/dbraw/zinc/93/97/43/1384939743.db2.gz XTLXXJMZMWHWIQ-CYBMUJFWSA-N 0 3 342.399 3.037 20 5 EGBDHN Cc1cccc(NC[C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001337033572 1389241493 /nfs/dbraw/zinc/24/14/93/1389241493.db2.gz ZLSDBOSXRKPONR-KRWDZBQOSA-N 0 3 326.400 3.375 20 5 EGBDHN Cc1ccc([C@@H](C)NCCC(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001337294692 1389296194 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CC(C)(COCc1ccccc1)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281236781 275532674 /nfs/dbraw/zinc/53/26/74/275532674.db2.gz CSBBLZPHCTYHDR-SFHVURJKSA-N 0 3 344.411 3.213 20 5 EGBDHN C[C@H](N[C@@H]1CCC[C@@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000282178774 275609139 /nfs/dbraw/zinc/60/91/39/275609139.db2.gz VPGPTHDDIHMDIN-OUJBWJOFSA-N 0 3 325.796 3.353 20 5 EGBDHN COc1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])cc1OC ZINC000289325521 276322071 /nfs/dbraw/zinc/32/20/71/276322071.db2.gz GFHHTJQOAYKWIV-UHFFFAOYSA-N 0 3 330.384 3.287 20 5 EGBDHN CC[C@H](N[C@H]1COc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000289855353 276406782 /nfs/dbraw/zinc/40/67/82/276406782.db2.gz BKKLHOGMXQFRQB-XYJFISCASA-N 0 3 328.368 3.130 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000289859753 276407662 /nfs/dbraw/zinc/40/76/62/276407662.db2.gz QXRAHLDXFFMTJT-CJNGLKHVSA-N 0 3 346.431 3.248 20 5 EGBDHN O=[N+]([O-])c1cccc(Cl)c1NCC1(N2CCCC2)CCOCC1 ZINC000292494058 276808705 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CC[C@H](C)[C@@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000294749797 308253075 /nfs/dbraw/zinc/25/30/75/308253075.db2.gz ICUUXTKVTNWEJK-SUMWQHHRSA-N 0 3 346.431 3.146 20 5 EGBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000296805478 308469001 /nfs/dbraw/zinc/46/90/01/308469001.db2.gz UNJCCXPOQHURPB-LBPRGKRZSA-N 0 3 331.328 3.233 20 5 EGBDHN COc1ccc(NC(=O)CNC(C)(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000299649632 308682961 /nfs/dbraw/zinc/68/29/61/308682961.db2.gz OFDAVFWUFPXWSX-UHFFFAOYSA-N 0 3 343.383 3.067 20 5 EGBDHN CCc1c(C)nc2ccccc2c1NCCn1cc([N+](=O)[O-])cn1 ZINC000302032410 308726017 /nfs/dbraw/zinc/72/60/17/308726017.db2.gz KNGPLLKZEBIORT-UHFFFAOYSA-N 0 3 325.372 3.322 20 5 EGBDHN CC1(C)C[C@@H](N[C@@H]2CCN(CC(F)F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000417381085 309203717 /nfs/dbraw/zinc/20/37/17/309203717.db2.gz IBSORWVYUCWLHP-IAQYHMDHSA-N 0 3 339.386 3.246 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000421762690 309339066 /nfs/dbraw/zinc/33/90/66/309339066.db2.gz NTVNZKMKKQBYOU-INIZCTEOSA-N 0 3 345.443 3.302 20 5 EGBDHN CC(C)c1ccc(C(=O)N[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000439413071 309832355 /nfs/dbraw/zinc/83/23/55/309832355.db2.gz RYBSBKDIJUQHCU-AWEZNQCLSA-N 0 3 333.432 3.322 20 5 EGBDHN COCC[C@]1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000447093051 309973968 /nfs/dbraw/zinc/97/39/68/309973968.db2.gz GLYYYSKWURJWCX-SFHVURJKSA-N 0 3 346.383 3.140 20 5 EGBDHN CN(C)c1ncc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)s1 ZINC000449496877 310066947 /nfs/dbraw/zinc/06/69/47/310066947.db2.gz HXEUQOTWLAOVNX-AWEZNQCLSA-N 0 3 346.456 3.497 20 5 EGBDHN CC(C)c1ccc(CN(CCO)C2CCSCC2)cc1[N+](=O)[O-] ZINC000449683530 310080747 /nfs/dbraw/zinc/08/07/47/310080747.db2.gz JAGCMXHKMATDEQ-UHFFFAOYSA-N 0 3 338.473 3.408 20 5 EGBDHN CC[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000450867360 310146914 /nfs/dbraw/zinc/14/69/14/310146914.db2.gz ZESMJLRRFOUJDS-NSHDSACASA-N 0 3 329.347 3.117 20 5 EGBDHN C[C@H](c1ccccc1)[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000450931666 310150459 /nfs/dbraw/zinc/15/04/59/310150459.db2.gz BBRMQHQZCSGNKM-DNVCBOLYSA-N 0 3 328.412 3.234 20 5 EGBDHN CCCCNC(=O)CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545551 310184849 /nfs/dbraw/zinc/18/48/49/310184849.db2.gz HRXABPSJXNUZSW-MRXNPFEDSA-N 0 3 333.432 3.081 20 5 EGBDHN Cc1c(CN2CCC(OCCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000451953782 310204728 /nfs/dbraw/zinc/20/47/28/310204728.db2.gz VGEUAZQYWZSWCW-UHFFFAOYSA-N 0 3 336.432 3.309 20 5 EGBDHN COc1ccc2c(c1)C[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CO2 ZINC000453063619 310255405 /nfs/dbraw/zinc/25/54/05/310255405.db2.gz FBDHJYVXMDCXDN-IUODEOHRSA-N 0 3 328.368 3.258 20 5 EGBDHN Cc1ccc(C[C@H](CO)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000453451763 310277771 /nfs/dbraw/zinc/27/77/71/310277771.db2.gz RVJRJMHYBIUTEF-MAUKXSAKSA-N 0 3 328.412 3.466 20 5 EGBDHN C[C@H](NC(=O)NC[C@H](C)N1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000454513797 310314093 /nfs/dbraw/zinc/31/40/93/310314093.db2.gz RGXSHEPNIGDOPA-KKUMJFAQSA-N 0 3 348.447 3.075 20 5 EGBDHN CCN1CCN(c2cccc(Nc3ncc(C)cc3[N+](=O)[O-])c2)CC1 ZINC000472668184 310768602 /nfs/dbraw/zinc/76/86/02/310768602.db2.gz RRVCMUXBFXPMPP-UHFFFAOYSA-N 0 3 341.415 3.184 20 5 EGBDHN CCCC[C@H]1CCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000492846299 311298446 /nfs/dbraw/zinc/29/84/46/311298446.db2.gz IADBTBBDOUXIJM-YOEHRIQHSA-N 0 3 345.443 3.432 20 5 EGBDHN Cc1nnc([C@@H]2CCCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)[nH]1 ZINC000493360884 311365324 /nfs/dbraw/zinc/36/53/24/311365324.db2.gz KFGKQDZDZMOBQR-LLVKDONJSA-N 0 3 335.795 3.054 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@H]3C[C@H](O)C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000494469396 311481699 /nfs/dbraw/zinc/48/16/99/311481699.db2.gz CNJZFZUHDVRMRU-IRXDYDNUSA-N 0 3 346.383 3.112 20 5 EGBDHN CCC(CC)CN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000514125516 312225815 /nfs/dbraw/zinc/22/58/15/312225815.db2.gz VZVYZBSKLISJII-UHFFFAOYSA-N 0 3 337.420 3.300 20 5 EGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000517938998 312398762 /nfs/dbraw/zinc/39/87/62/312398762.db2.gz GOXJDCPSADMQHZ-LLVKDONJSA-N 0 3 339.823 3.051 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(NC[C@H](Cc2ccccc2)N(C)C)c1 ZINC000534524301 313985088 /nfs/dbraw/zinc/98/50/88/313985088.db2.gz DNKKGDQHISWKQX-HNNXBMFYSA-N 0 3 329.400 3.188 20 5 EGBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538380775 314242905 /nfs/dbraw/zinc/24/29/05/314242905.db2.gz PYHQDMBDGKQELJ-XJKSGUPXSA-N 0 3 340.807 3.460 20 5 EGBDHN O=C(CCNCc1ccc(Cl)s1)Nc1ccccc1[N+](=O)[O-] ZINC000548761222 315044282 /nfs/dbraw/zinc/04/42/82/315044282.db2.gz RTJBXJWURUBRNT-UHFFFAOYSA-N 0 3 339.804 3.428 20 5 EGBDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000551720061 315165269 /nfs/dbraw/zinc/16/52/69/315165269.db2.gz ORZQKRXZBLXWTI-PBHICJAKSA-N 0 3 342.395 3.105 20 5 EGBDHN COc1cc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])ccc1C ZINC000558573606 315579868 /nfs/dbraw/zinc/57/98/68/315579868.db2.gz KRCNOSJVWMCCRG-UHFFFAOYSA-N 0 3 343.383 3.030 20 5 EGBDHN COc1ccc(COCCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000574414053 317596137 /nfs/dbraw/zinc/59/61/37/317596137.db2.gz KKEPOXLAXHVHFF-GOSISDBHSA-N 0 3 342.395 3.397 20 5 EGBDHN Cc1cccc([C@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000183722334 323629330 /nfs/dbraw/zinc/62/93/30/323629330.db2.gz RSLXGSRZHOAWRH-RDJZCZTQSA-N 0 3 344.411 3.302 20 5 EGBDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000382449990 324250871 /nfs/dbraw/zinc/25/08/71/324250871.db2.gz MGZYKLVTOMUCET-HUUCEWRRSA-N 0 3 349.431 3.378 20 5 EGBDHN COc1ccc(NC(=O)CN(C)[C@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000579862874 325169542 /nfs/dbraw/zinc/16/95/42/325169542.db2.gz QYQCVBGKDYXVIS-CYBMUJFWSA-N 0 3 349.431 3.443 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](CO)c1ccc(F)cc1 ZINC000579928115 325177596 /nfs/dbraw/zinc/17/75/96/325177596.db2.gz KBJNHZIPDPFVQP-UKRRQHHQSA-N 0 3 332.375 3.469 20 5 EGBDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594961267 459194159 /nfs/dbraw/zinc/19/41/59/459194159.db2.gz MLHXNTGQBCYBDX-SMSPXONGSA-N 0 3 330.837 3.028 20 5 EGBDHN Cc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000009981464 453269729 /nfs/dbraw/zinc/26/97/29/453269729.db2.gz RWCZKXHARXCGKC-UHFFFAOYSA-N 0 3 341.411 3.155 20 5 EGBDHN CN(CCCNC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000018176786 453646048 /nfs/dbraw/zinc/64/60/48/453646048.db2.gz NCWFUPWKODHUCX-UHFFFAOYSA-N 0 3 342.399 3.238 20 5 EGBDHN COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cn1)N1CCCC1 ZINC000022806752 453699453 /nfs/dbraw/zinc/69/94/53/453699453.db2.gz LPDXFSLMBALCGW-MRXNPFEDSA-N 0 3 342.399 3.247 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccccc1 ZINC000026157364 453793339 /nfs/dbraw/zinc/79/33/39/453793339.db2.gz VQIMQEZKBMKANA-UHFFFAOYSA-N 0 3 343.383 3.064 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ccccc2C1 ZINC000026156214 453793507 /nfs/dbraw/zinc/79/35/07/453793507.db2.gz YDUNRYUWXVQRPZ-UHFFFAOYSA-N 0 3 339.395 3.290 20 5 EGBDHN CN(C)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1cccc(F)c1 ZINC000029847965 453831978 /nfs/dbraw/zinc/83/19/78/453831978.db2.gz JBUDCSIENOILQT-LBPRGKRZSA-N 0 3 349.391 3.158 20 5 EGBDHN O=C(CN1CCC[C@@H]2CCCC[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000084490313 453991571 /nfs/dbraw/zinc/99/15/71/453991571.db2.gz QPSBPVWORKUNRA-YOEHRIQHSA-N 0 3 343.427 3.139 20 5 EGBDHN Cc1ccc(NC(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000043147141 454044546 /nfs/dbraw/zinc/04/45/46/454044546.db2.gz KLYUHVPFVWGIFY-JSGCOSHPSA-N 0 3 334.420 3.145 20 5 EGBDHN COc1ccc(NC(=O)[C@H](C)N(C)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000044714963 454116344 /nfs/dbraw/zinc/11/63/44/454116344.db2.gz OMJGTRFOXZXKJK-ZDUSSCGKSA-N 0 3 349.431 3.443 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000088718409 454117296 /nfs/dbraw/zinc/11/72/96/454117296.db2.gz OAQDHRIXBKGXQC-HZPDHXFCSA-N 0 3 347.459 3.229 20 5 EGBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1N(C)C ZINC000089580572 454163129 /nfs/dbraw/zinc/16/31/29/454163129.db2.gz HHXSGDFJOWMBAR-AWEZNQCLSA-N 0 3 329.400 3.390 20 5 EGBDHN COc1ccc([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000089580658 454163247 /nfs/dbraw/zinc/16/32/47/454163247.db2.gz SZCGWAYGXPMXLD-ZDUSSCGKSA-N 0 3 346.383 3.342 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCCCC1(C)C ZINC000119827139 454224488 /nfs/dbraw/zinc/22/44/88/454224488.db2.gz KDFAJHGNDFKHNP-HNNXBMFYSA-N 0 3 335.404 3.100 20 5 EGBDHN CN1CCC[C@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090092118 454277849 /nfs/dbraw/zinc/27/78/49/454277849.db2.gz SFQWBNWDKPZHET-CQSZACIVSA-N 0 3 326.400 3.411 20 5 EGBDHN CC(C)c1ccc(CN(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090516050 454313644 /nfs/dbraw/zinc/31/36/44/454313644.db2.gz MFRLWRMOFOZEND-UHFFFAOYSA-N 0 3 329.400 3.012 20 5 EGBDHN O=S1(=O)CC[C@H](NCc2c3ccccc3cc3ccccc32)C1 ZINC000061002586 454324018 /nfs/dbraw/zinc/32/40/18/454324018.db2.gz LVFRITNMQWCDCH-INIZCTEOSA-N 0 3 325.433 3.270 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 ZINC000047452914 454374031 /nfs/dbraw/zinc/37/40/31/454374031.db2.gz RZYSVZHTAHKYGK-UHFFFAOYSA-N 0 3 345.424 3.387 20 5 EGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000063497783 454418764 /nfs/dbraw/zinc/41/87/64/454418764.db2.gz JIOYPTPLPGYSFM-UHFFFAOYSA-N 0 3 345.399 3.009 20 5 EGBDHN Cc1ccccc1[C@@H](C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000121318530 454420533 /nfs/dbraw/zinc/42/05/33/454420533.db2.gz MGEOJLKLIAUGSF-CQSZACIVSA-N 0 3 327.384 3.217 20 5 EGBDHN CCOC(=O)CC[C@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092073739 454515814 /nfs/dbraw/zinc/51/58/14/454515814.db2.gz RLANXINAINOPJN-OAHLLOKOSA-N 0 3 334.416 3.459 20 5 EGBDHN COc1ccc(CN2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1[N+](=O)[O-] ZINC000134903556 454606426 /nfs/dbraw/zinc/60/64/26/454606426.db2.gz PTBNGIWJAGJKDN-WBVHZDCISA-N 0 3 345.443 3.052 20 5 EGBDHN Cc1cccc(OC[C@H](O)CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000152895041 454738094 /nfs/dbraw/zinc/73/80/94/454738094.db2.gz YSZQWFQHMPFQIQ-DOTOQJQBSA-N 0 3 344.411 3.302 20 5 EGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176504635 454753176 /nfs/dbraw/zinc/75/31/76/454753176.db2.gz QWTLALLFJKTAFY-GFCCVEGCSA-N 0 3 339.823 3.243 20 5 EGBDHN CCOC(=O)CC[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000162138361 454753873 /nfs/dbraw/zinc/75/38/73/454753873.db2.gz RUZKVHRMFPICTA-HNNXBMFYSA-N 0 3 334.416 3.459 20 5 EGBDHN COc1ccc([C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000136891238 454760153 /nfs/dbraw/zinc/76/01/53/454760153.db2.gz MKLSXQTYRQTNBM-OALUTQOASA-N 0 3 342.395 3.474 20 5 EGBDHN CC[C@@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176687350 454771485 /nfs/dbraw/zinc/77/14/85/454771485.db2.gz LSTKSJOPFGRLRK-WMLDXEAASA-N 0 3 348.447 3.029 20 5 EGBDHN C[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000176886067 454795005 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Cc1cc(C)cc([C@@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000182910439 455189771 /nfs/dbraw/zinc/18/97/71/455189771.db2.gz AOSGTASUKRLAHJ-CRAIPNDOSA-N 0 3 344.411 3.302 20 5 EGBDHN CC(C)CSCCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000157468160 455197472 /nfs/dbraw/zinc/19/74/72/455197472.db2.gz BLYHAYPKEIZGAU-CQSZACIVSA-N 0 3 338.477 3.255 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN[C@H](c2ccccc2F)C2CCCC2)n1 ZINC000181487261 455342205 /nfs/dbraw/zinc/34/22/05/455342205.db2.gz MIFBONBMVGNTQV-KRWDZBQOSA-N 0 3 332.379 3.452 20 5 EGBDHN C[C@@H]1C[C@@H]1[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000245901584 455394586 /nfs/dbraw/zinc/39/45/86/455394586.db2.gz NYPHKNRWXKALQN-RLCCDNCMSA-N 0 3 334.807 3.432 20 5 EGBDHN CCSc1ccc([C@@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000182114796 455438568 /nfs/dbraw/zinc/43/85/68/455438568.db2.gz OBQHOBNXJMVEOO-CYBMUJFWSA-N 0 3 347.440 3.219 20 5 EGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCCN1CC ZINC000184779152 455446208 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C[C@H](NCc1ccc(C(C)(C)O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284949479 455767209 /nfs/dbraw/zinc/76/72/09/455767209.db2.gz FBDFMFBEMIDVPD-LBPRGKRZSA-N 0 3 329.400 3.255 20 5 EGBDHN O=[N+]([O-])c1ccccc1C[C@@H](N[C@@H](CCO)c1ccco1)C1CC1 ZINC000186550513 455790994 /nfs/dbraw/zinc/79/09/94/455790994.db2.gz FTDOFAPYFJGZDR-JKSUJKDBSA-N 0 3 330.384 3.222 20 5 EGBDHN O=[N+]([O-])c1ccccc1C[C@H](N[C@H](CCO)c1ccco1)C1CC1 ZINC000186550532 455791379 /nfs/dbraw/zinc/79/13/79/455791379.db2.gz FTDOFAPYFJGZDR-CVEARBPZSA-N 0 3 330.384 3.222 20 5 EGBDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000272479676 455964964 /nfs/dbraw/zinc/96/49/64/455964964.db2.gz MBHGWEVUCMMTSR-DZGCQCFKSA-N 0 3 349.431 3.330 20 5 EGBDHN Cc1cc(NCCC(=O)N2CCCCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272828693 456083247 /nfs/dbraw/zinc/08/32/47/456083247.db2.gz KLWLAFUGXMBAMI-UHFFFAOYSA-N 0 3 342.399 3.266 20 5 EGBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301558548 456146838 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COc1cc(CNCC2(C(F)(F)F)CCC2)c([N+](=O)[O-])cc1O ZINC000353090827 456483735 /nfs/dbraw/zinc/48/37/35/456483735.db2.gz VRAKOOYYFFAIRR-UHFFFAOYSA-N 0 3 334.294 3.131 20 5 EGBDHN CC(C)CN(CCN(C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000340535790 456517084 /nfs/dbraw/zinc/51/70/84/456517084.db2.gz ODCYQQHIYFKYDC-UHFFFAOYSA-N 0 3 333.388 3.001 20 5 EGBDHN COc1cc(CN(C)CCOc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000343324806 456533208 /nfs/dbraw/zinc/53/32/08/456533208.db2.gz XYEZPRPZCDRHLJ-UHFFFAOYSA-N 0 3 346.383 3.123 20 5 EGBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000353170366 456537497 /nfs/dbraw/zinc/53/74/97/456537497.db2.gz GRGASJYMGOKKEC-LBPRGKRZSA-N 0 3 326.356 3.201 20 5 EGBDHN C[C@@H](NCCc1ccc2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000324044189 456660735 /nfs/dbraw/zinc/66/07/35/456660735.db2.gz SCPBASIKWXMDSU-CYBMUJFWSA-N 0 3 328.368 3.259 20 5 EGBDHN CCS[C@@H]1CCC[C@@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348477872 456704568 /nfs/dbraw/zinc/70/45/68/456704568.db2.gz KQUYLBACNAPRMR-GXTWGEPZSA-N 0 3 337.445 3.106 20 5 EGBDHN COc1ccc(-c2ccc(CN(C)[C@@H]3CCCOC3)o2)c([N+](=O)[O-])c1 ZINC000348713591 456826039 /nfs/dbraw/zinc/82/60/39/456826039.db2.gz WSGZGRXDLUVNOB-CYBMUJFWSA-N 0 3 346.383 3.474 20 5 EGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H](c1nccn1C)C1CC1 ZINC000353874090 456944491 /nfs/dbraw/zinc/94/44/91/456944491.db2.gz XNTWHKXRHPOJSK-GUYCJALGSA-N 0 3 328.416 3.390 20 5 EGBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000339125424 456951884 /nfs/dbraw/zinc/95/18/84/456951884.db2.gz VNDFKAJMWBRGFM-ZIAGYGMSSA-N 0 3 330.306 3.271 20 5 EGBDHN O=C(c1ccccc1[N+](=O)[O-])N(CCN1CCCCCC1)C1CCC1 ZINC000345814714 456998582 /nfs/dbraw/zinc/99/85/82/456998582.db2.gz UUUSNJRVNZXLTG-UHFFFAOYSA-N 0 3 345.443 3.466 20 5 EGBDHN CC[C@@H](C)C[C@@H](CC)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349685659 457015663 /nfs/dbraw/zinc/01/56/63/457015663.db2.gz OSPKEUQEWBMOOT-ZIAGYGMSSA-N 0 3 342.461 3.173 20 5 EGBDHN 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CC(C)c1ccc(CN2CC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000377887650 458564653 /nfs/dbraw/zinc/56/46/53/458564653.db2.gz GLJMCLFPYFRCTL-HNNXBMFYSA-N 0 3 328.416 3.441 20 5 EGBDHN CCOC(=O)[C@@H]1CCCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470174118 458620793 /nfs/dbraw/zinc/62/07/93/458620793.db2.gz QOGAVDNWYMGCOW-SCOADAFUSA-N 0 3 332.400 3.273 20 5 EGBDHN CCc1ccc(C(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000471338119 458689911 /nfs/dbraw/zinc/68/99/11/458689911.db2.gz WVOJUIMMLMMFBF-ZIAGYGMSSA-N 0 3 333.432 3.150 20 5 EGBDHN CCC(CC)[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000467832383 458989016 /nfs/dbraw/zinc/98/90/16/458989016.db2.gz QUKPVBJPTGVSEU-DNVCBOLYSA-N 0 3 349.475 3.382 20 5 EGBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)CN1C1CC1 ZINC000577432826 459031854 /nfs/dbraw/zinc/03/18/54/459031854.db2.gz ICPHZSZYKOWLBV-VHSXEESVSA-N 0 3 327.331 3.233 20 5 EGBDHN C[S@](=O)Cc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000594516727 459074523 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EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC(C)C)C1CCCC1 ZINC000533254959 459207913 /nfs/dbraw/zinc/20/79/13/459207913.db2.gz RUEFIFKCDWWNHQ-UHFFFAOYSA-N 0 3 349.431 3.443 20 5 EGBDHN COc1ccc(OCCN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595003846 459211128 /nfs/dbraw/zinc/21/11/28/459211128.db2.gz LGSZDUYZCGNVBH-ZDUSSCGKSA-N 0 3 346.383 3.342 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCCN1CCCCCC1=O ZINC000595004672 459212328 /nfs/dbraw/zinc/21/23/28/459212328.db2.gz RLRIYMCGDLFKLX-AWEZNQCLSA-N 0 3 349.431 3.047 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)Cn1ccnc1C ZINC000595015567 459217135 /nfs/dbraw/zinc/21/71/35/459217135.db2.gz ZBYLEQNKKZOVEU-QWHCGFSZSA-N 0 3 332.404 3.095 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)C[C@@H]2NCc3ccccc32)cc1[N+](=O)[O-] ZINC000595254983 459262612 /nfs/dbraw/zinc/26/26/12/459262612.db2.gz RENZUTPXMYXBSX-GUYCJALGSA-N 0 3 339.395 3.315 20 5 EGBDHN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000523527984 459312127 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/nfs/dbraw/zinc/53/67/83/1318536783.db2.gz VQWGAFVXJMECBI-SFHVURJKSA-N 0 3 346.383 3.488 20 5 EGBDHN CC(=O)N(C)c1ccc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000858493959 1328779088 /nfs/dbraw/zinc/77/90/88/1328779088.db2.gz BERQQTIEJIPPJW-ZDUSSCGKSA-N 0 3 327.384 3.428 20 5 EGBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1(F)CCCCC1 ZINC001022930607 1319174722 /nfs/dbraw/zinc/17/47/22/1319174722.db2.gz GBFSTLBPHCTHGH-GASCZTMLSA-N 0 3 349.406 3.004 20 5 EGBDHN CC(C)(C)CCN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917877805 1319884909 /nfs/dbraw/zinc/88/49/09/1319884909.db2.gz VFGNUNRRACEIEM-TWGQIWQCSA-N 0 3 345.443 3.188 20 5 EGBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2NCCc3ccccc32)c1 ZINC000841069169 1321213156 /nfs/dbraw/zinc/21/31/56/1321213156.db2.gz PFZBOZYRAFPKTP-KRWDZBQOSA-N 0 3 331.803 3.225 20 5 EGBDHN CCN(CC)Cc1ccc(C(=O)Oc2cc([N+](=O)[O-])ccc2OC)o1 ZINC000842585684 1321404193 /nfs/dbraw/zinc/40/41/93/1321404193.db2.gz DIMHEGPRXPQPFX-UHFFFAOYSA-N 0 3 348.355 3.257 20 5 EGBDHN Cc1nn(CN2CC3(C[C@@H]2C)CCOCC3)c2ccc([N+](=O)[O-])cc12 ZINC000842638554 1321411215 /nfs/dbraw/zinc/41/12/15/1321411215.db2.gz LTKFWCGFMSQENW-ZDUSSCGKSA-N 0 3 344.415 3.101 20 5 EGBDHN CC([C@H](OC(=O)COCc1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845872720 1321747405 /nfs/dbraw/zinc/74/74/05/1321747405.db2.gz MVTNALXWFCBBFO-ACJLOTCBSA-N 0 3 347.342 3.292 20 5 EGBDHN CC([C@H](OC(=O)c1ccc2c(c1)COC2)c1ccccc1F)[N+](=O)[O-] ZINC000845873455 1321747706 /nfs/dbraw/zinc/74/77/06/1321747706.db2.gz DHIIFLRMGWFFRT-GTNSWQLSSA-N 0 3 345.326 3.419 20 5 EGBDHN COc1ccc(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845874464 1321747825 /nfs/dbraw/zinc/74/78/25/1321747825.db2.gz ZFNYVICENDJTSJ-XIKOKIGWSA-N 0 3 347.342 3.327 20 5 EGBDHN CC[C@@H]1CC[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])O1 ZINC000845874265 1321747947 /nfs/dbraw/zinc/74/79/47/1321747947.db2.gz GSARVDDAEYXAHI-DRABBMOASA-N 0 3 325.336 3.033 20 5 EGBDHN CC([C@@H](OC(=O)[C@H]1CCCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845879260 1321749742 /nfs/dbraw/zinc/74/97/42/1321749742.db2.gz IATYJLFZNIXUSA-UHIISALHSA-N 0 3 327.377 3.218 20 5 EGBDHN CC([C@H](OC(=O)CCc1cccnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845880589 1321750082 /nfs/dbraw/zinc/75/00/82/1321750082.db2.gz WVEJGRDTQBTCMQ-SJCJKPOMSA-N 0 3 332.331 3.103 20 5 EGBDHN Cc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nc1C ZINC000845882516 1321750143 /nfs/dbraw/zinc/75/01/43/1321750143.db2.gz ULXJOUJNFIZUFU-LRDDRELGSA-N 0 3 332.331 3.401 20 5 EGBDHN CC(C)Cn1nccc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883155 1321750640 /nfs/dbraw/zinc/75/06/40/1321750640.db2.gz YZKFIYNSTBSKQM-WBMJQRKESA-N 0 3 349.362 3.242 20 5 EGBDHN CC([C@@H](OC(=O)c1coc(C2CC2)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845883773 1321751098 /nfs/dbraw/zinc/75/10/98/1321751098.db2.gz VXHXMZYNHCNLFT-LKFCYVNXSA-N 0 3 334.303 3.254 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC3OCCCO3)s2)cc1 ZINC000922276853 1322491528 /nfs/dbraw/zinc/49/15/28/1322491528.db2.gz JUSULVKBHDVTOW-UHFFFAOYSA-N 0 3 334.397 3.176 20 5 EGBDHN C[C@H](NCc1ccc2c(c1)C[C@@H](C)O2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926918675 1327776603 /nfs/dbraw/zinc/77/66/03/1327776603.db2.gz JBXJLUDXSNVLNH-NEPJUHHUSA-N 0 3 327.384 3.351 20 5 EGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934436966 1329978657 /nfs/dbraw/zinc/97/86/57/1329978657.db2.gz FMKNXFXYHGMHON-ZSZQSSIHSA-N 0 3 326.396 3.191 20 5 EGBDHN CCN1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229085821 1375761135 /nfs/dbraw/zinc/76/11/35/1375761135.db2.gz HTNKUQOBJSDJOM-LLVKDONJSA-N 0 3 329.194 3.220 20 5 EGBDHN COC(=O)[C@@H]1CCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001116771351 1370970746 /nfs/dbraw/zinc/97/07/46/1370970746.db2.gz PXFNCCWAVVKTPJ-HZPDHXFCSA-N 0 3 344.367 3.286 20 5 EGBDHN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H](N)C1CCCCC1 ZINC001326277387 1388140570 /nfs/dbraw/zinc/14/05/70/1388140570.db2.gz LPDFCJJQLAOHAR-OAHLLOKOSA-N 0 3 339.823 3.114 20 5 EGBDHN CN(C)[C@H]1CCOc2c(Nc3ccc(N)c([N+](=O)[O-])c3)cccc21 ZINC001209937889 1372237207 /nfs/dbraw/zinc/23/72/07/1372237207.db2.gz CFPBVCFNGKDRCB-HNNXBMFYSA-N 0 3 328.372 3.306 20 5 EGBDHN CCCn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1 ZINC001123133815 1372386152 /nfs/dbraw/zinc/38/61/52/1372386152.db2.gz PJYIPPVDTDGAKU-BLLLJJGKSA-N 0 3 349.362 3.304 20 5 EGBDHN COCCN1CCC(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC001225919362 1375175630 /nfs/dbraw/zinc/17/56/30/1375175630.db2.gz SGHDGJIIJQCFEG-UHFFFAOYSA-N 0 3 348.321 3.103 20 5 EGBDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1Oc1cnccc1[N+](=O)[O-] ZINC001228880830 1375704925 /nfs/dbraw/zinc/70/49/25/1375704925.db2.gz XQRHMNAKPLPXCV-KBXCAEBGSA-N 0 3 327.384 3.279 20 5 EGBDHN CCN1CCC(Oc2c(F)cc([N+](=O)[O-])cc2Br)CC1 ZINC001229898996 1375915781 /nfs/dbraw/zinc/91/57/81/1375915781.db2.gz OAGYVQQKDPNMDP-UHFFFAOYSA-N 0 3 347.184 3.360 20 5 EGBDHN O=C(CC1CCCCCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001134409982 1376515928 /nfs/dbraw/zinc/51/59/28/1376515928.db2.gz BRIVYXCWBNBIHQ-UHFFFAOYSA-N 0 3 333.432 3.161 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNC[C@H](O)C2CC2)o1 ZINC001327383969 1388509755 /nfs/dbraw/zinc/50/97/55/1388509755.db2.gz KXULRWMMFPSNDW-HNNXBMFYSA-N 0 3 336.775 3.369 20 5 EGBDHN O=[N+]([O-])c1cc([O-])cc(Nc2cccc(O[C@H]3CCC[NH2+]C3)c2)c1 ZINC001160218310 1382037410 /nfs/dbraw/zinc/03/74/10/1382037410.db2.gz CUDHNSAWYWBGDE-KRWDZBQOSA-N 0 3 329.356 3.175 20 5 EGBDHN Cc1cc(Cl)nc(NC[C@@H]2Cc3ccccc3CN2)c1[N+](=O)[O-] ZINC001163273144 1383009996 /nfs/dbraw/zinc/00/99/96/1383009996.db2.gz WUJSRHXBCALPSP-ZDUSSCGKSA-N 0 3 332.791 3.078 20 5 EGBDHN CC(C)N1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC001165198790 1383245328 /nfs/dbraw/zinc/24/53/28/1383245328.db2.gz ANKDFVJAIRSWPW-LLVKDONJSA-N 0 3 349.822 3.110 20 5 EGBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NC2(c3ccccc3Br)CC2)C1 ZINC001168985584 1384079099 /nfs/dbraw/zinc/07/90/99/1384079099.db2.gz TVKGFLLGBSSFAT-VXGBXAGGSA-N 0 3 339.233 3.473 20 5 EGBDHN CCOc1ccccc1OCCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169787330 1384186200 /nfs/dbraw/zinc/18/62/00/1384186200.db2.gz XFCWKAOVFBCPCH-UHFFFAOYSA-N 0 3 343.383 3.088 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2(c3ccccn3)CC2)c1F ZINC001173190017 1384933584 /nfs/dbraw/zinc/93/35/84/1384933584.db2.gz UBQKNAQEIMHNDI-GFCCVEGCSA-N 0 3 345.374 3.347 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cn(CC(F)(F)F)cn1 ZINC001173223732 1384939058 /nfs/dbraw/zinc/93/90/58/1384939058.db2.gz LHHQPMZATMKODR-NSHDSACASA-N 0 3 342.321 3.074 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1nccn1CC(F)(F)F ZINC001173223305 1384939122 /nfs/dbraw/zinc/93/91/22/1384939122.db2.gz HVLLSQITIHJHCS-LLVKDONJSA-N 0 3 342.321 3.074 20 5 EGBDHN CCCN1CCCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001329395918 1389095348 /nfs/dbraw/zinc/09/53/48/1389095348.db2.gz CZOIKWTYUXXBNX-GOSISDBHSA-N 0 3 347.459 3.298 20 5 EGBDHN Cc1ccc([C@@H](C)NCCC(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001337294688 1389296321 /nfs/dbraw/zinc/29/63/21/1389296321.db2.gz RTLXGSXFZXCPOL-DZGCQCFKSA-N 0 3 333.432 3.202 20 5 EGBDHN Cc1c(F)cccc1NC(=O)CCNCc1ccc([N+](=O)[O-])cc1 ZINC001338408752 1389676917 /nfs/dbraw/zinc/67/69/17/1389676917.db2.gz ULELCTNTKHVYHF-UHFFFAOYSA-N 0 3 331.347 3.161 20 5 EGBDHN Cc1ncsc1CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174241943 231158881 /nfs/dbraw/zinc/15/88/81/231158881.db2.gz OHGCXHGTPSZGIQ-UHFFFAOYSA-N 0 3 347.440 3.446 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]1c1ccc[nH]1 ZINC000067966729 215262286 /nfs/dbraw/zinc/26/22/86/215262286.db2.gz LOJDLPZQHSLNPL-KRWDZBQOSA-N 0 3 342.399 3.397 20 5 EGBDHN Cc1ccc([C@@H](C)NCCC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000129065649 223016551 /nfs/dbraw/zinc/01/65/51/223016551.db2.gz GJBRUAFCBGPAEE-OAHLLOKOSA-N 0 3 333.432 3.347 20 5 EGBDHN Cc1ccc([C@@H](C)NCCOCC(F)(F)C(F)F)cc1[N+](=O)[O-] ZINC000189861850 237328361 /nfs/dbraw/zinc/32/83/61/237328361.db2.gz GIGJRFROJVNVKW-SNVBAGLBSA-N 0 3 338.301 3.471 20 5 EGBDHN C[C@H](O)[C@](C)(CNCc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000191709208 239258751 /nfs/dbraw/zinc/25/87/51/239258751.db2.gz DWNBHCZDPGTIFG-GUYCJALGSA-N 0 3 334.441 3.376 20 5 EGBDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000247971012 291490647 /nfs/dbraw/zinc/49/06/47/291490647.db2.gz HPUXJTROXPVIKV-UHFFFAOYSA-N 0 3 341.411 3.107 20 5 EGBDHN O=[N+]([O-])c1ccc(NC2CCN(C3CC3)CC2)cc1OC(F)F ZINC000266128345 248115937 /nfs/dbraw/zinc/11/59/37/248115937.db2.gz CEBZUVRCUDWGQG-UHFFFAOYSA-N 0 3 327.331 3.235 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H](C)c1ccccc1 ZINC000007378909 210789691 /nfs/dbraw/zinc/78/96/91/210789691.db2.gz KKZHBDXHZAKLDD-STQMWFEESA-N 0 3 343.383 3.281 20 5 EGBDHN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000187237192 533317371 /nfs/dbraw/zinc/31/73/71/533317371.db2.gz LZLADYVSFGIDPK-ABAIWWIYSA-N 0 3 333.413 3.078 20 5 EGBDHN C[C@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](N)c1ccccc1 ZINC000237562126 141007714 /nfs/dbraw/zinc/00/77/14/141007714.db2.gz MTDPGYLXKHEYFY-GUYCJALGSA-N 0 3 341.411 3.282 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1ccccc1Cn1cncn1 ZINC000337818587 141061350 /nfs/dbraw/zinc/06/13/50/141061350.db2.gz QDUXEMRIOMMQPF-WEVVVXLNSA-N 0 3 349.394 3.038 20 5 EGBDHN CN1CCC[C@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1=O ZINC000344620961 144200808 /nfs/dbraw/zinc/20/08/08/144200808.db2.gz ZMQOLEHDVRXWBO-AWEZNQCLSA-N 0 3 345.424 3.034 20 5 EGBDHN CC(C)CC[C@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351492414 144269454 /nfs/dbraw/zinc/26/94/54/144269454.db2.gz KBWGMOGBEKENJI-CZUORRHYSA-N 0 3 333.432 3.388 20 5 EGBDHN Cc1ccc(NC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000352274811 144322214 /nfs/dbraw/zinc/32/22/14/144322214.db2.gz XPQLBYOWDUCOBS-OCCSQVGLSA-N 0 3 334.420 3.145 20 5 EGBDHN Cc1ccc(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189634692 153086507 /nfs/dbraw/zinc/08/65/07/153086507.db2.gz AYMHPIJORPQURC-ZFWWWQNUSA-N 0 3 346.349 3.476 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccccc1)N1CCCC1 ZINC000195334593 153398270 /nfs/dbraw/zinc/39/82/70/153398270.db2.gz DHWWSPGRCVRFDA-MRXNPFEDSA-N 0 3 343.431 3.369 20 5 EGBDHN CN(C)CCN(Cc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000349077831 156344086 /nfs/dbraw/zinc/34/40/86/156344086.db2.gz QHMGJRHMMDBCIZ-UHFFFAOYSA-N 0 3 331.391 3.298 20 5 EGBDHN CC[C@@](C)(O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000111384488 162154477 /nfs/dbraw/zinc/15/44/77/162154477.db2.gz KNYJTEVSEYOKID-QGZVFWFLSA-N 0 3 334.372 3.114 20 5 EGBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000338343512 163216677 /nfs/dbraw/zinc/21/66/77/163216677.db2.gz BLHLHIOCFWRBBK-UHFFFAOYSA-N 0 3 341.411 3.235 20 5 EGBDHN CN(C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000338759880 163341235 /nfs/dbraw/zinc/34/12/35/163341235.db2.gz XNEYKPJWSALDNU-MRXNPFEDSA-N 0 3 347.802 3.281 20 5 EGBDHN Cc1ccc([C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000344212819 164128275 /nfs/dbraw/zinc/12/82/75/164128275.db2.gz OAIUETKWOPCMRN-QGZVFWFLSA-N 0 3 345.374 3.075 20 5 EGBDHN COc1ccc(-c2ccc(CNC[C@](C)(O)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000344403504 164170750 /nfs/dbraw/zinc/17/07/50/164170750.db2.gz CBGUZZQVAJZCHV-SFHVURJKSA-N 0 3 346.383 3.114 20 5 EGBDHN CN(CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000346017197 164318534 /nfs/dbraw/zinc/31/85/34/164318534.db2.gz TWGYVFUMWWEQBA-UHFFFAOYSA-N 0 3 347.802 3.110 20 5 EGBDHN CCC1(CC)[C@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000359429674 167154007 /nfs/dbraw/zinc/15/40/07/167154007.db2.gz RBHCZJZQRIVATJ-MAZHCROVSA-N 0 3 349.431 3.105 20 5 EGBDHN CC[C@H](C)N[C@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000359550257 167189611 /nfs/dbraw/zinc/18/96/11/167189611.db2.gz XOPMFXRNKUJCKU-DZGCQCFKSA-N 0 3 345.399 3.355 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000359555658 167191760 /nfs/dbraw/zinc/19/17/60/167191760.db2.gz KYGWIXAGXKKYEI-CJNGLKHVSA-N 0 3 345.399 3.355 20 5 EGBDHN CCc1ccccc1CCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365126562 168025445 /nfs/dbraw/zinc/02/54/45/168025445.db2.gz SSSYMDCBDMSGMA-UHFFFAOYSA-N 0 3 328.416 3.233 20 5 EGBDHN Cc1ccc([C@@H]2CCCCCN2CCn2cc([N+](=O)[O-])ccc2=O)o1 ZINC000159844017 225288651 /nfs/dbraw/zinc/28/86/51/225288651.db2.gz UFHPVZDABLGGRM-INIZCTEOSA-N 0 3 345.399 3.275 20 5 EGBDHN Cc1cc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000123186306 222231681 /nfs/dbraw/zinc/23/16/81/222231681.db2.gz VENIYXGRFSPUQK-UHFFFAOYSA-N 0 3 333.432 3.096 20 5 EGBDHN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000175787352 265137928 /nfs/dbraw/zinc/13/79/28/265137928.db2.gz UKKFMNOKACKKEX-LSDHHAIUSA-N 0 3 348.447 3.138 20 5 EGBDHN Cc1c(CC(=O)Nc2ccc(CN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000269591917 266321911 /nfs/dbraw/zinc/32/19/11/266321911.db2.gz DWCCTAVYYSHRKL-UHFFFAOYSA-N 0 3 327.384 3.146 20 5 EGBDHN COc1ccc(C)cc1[C@@H](C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675836 266339832 /nfs/dbraw/zinc/33/98/32/266339832.db2.gz CCJPDZJAIZKFEP-CXAGYDPISA-N 0 3 330.384 3.296 20 5 EGBDHN CCO[C@@H]1C[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2C)[C@]12CCCO2 ZINC000274242975 267204097 /nfs/dbraw/zinc/20/40/97/267204097.db2.gz RAADKQMQBDHJFV-BVPBIZIASA-N 0 3 334.416 3.280 20 5 EGBDHN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1cccs1 ZINC000275470173 267366109 /nfs/dbraw/zinc/36/61/09/267366109.db2.gz LPIHXPKVQLBJCX-UHFFFAOYSA-N 0 3 337.376 3.256 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN(C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245861148 275035183 /nfs/dbraw/zinc/03/51/83/275035183.db2.gz KVFFBHHWCBSJAE-DLBZAZTESA-N 0 3 336.457 3.124 20 5 EGBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(c2ccncc2)CC1 ZINC000191663045 275040208 /nfs/dbraw/zinc/04/02/08/275040208.db2.gz BQUIRGIVYBRHKX-UHFFFAOYSA-N 0 3 327.384 3.248 20 5 EGBDHN Cc1ccc([C@H](CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)N(C)C)cc1 ZINC000010017917 275119214 /nfs/dbraw/zinc/11/92/14/275119214.db2.gz ZMYBLLYRHBWJDM-SFHVURJKSA-N 0 3 341.411 3.244 20 5 EGBDHN CC(C)c1ccc(C(=O)N2CC[C@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287315298 276107341 /nfs/dbraw/zinc/10/73/41/276107341.db2.gz UUOAUPNBTZREMU-YOEHRIQHSA-N 0 3 345.443 3.417 20 5 EGBDHN CC(C)[C@H](N[C@@H](C)CCc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000289569902 276359427 /nfs/dbraw/zinc/35/94/27/276359427.db2.gz SJWLQBOWMRDLCC-BBRMVZONSA-N 0 3 331.420 3.031 20 5 EGBDHN C[C@H](NC[C@]1(CO)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000289600429 276364472 /nfs/dbraw/zinc/36/44/72/276364472.db2.gz CPPUFKQHUUMCAM-KYNGSXCRSA-N 0 3 326.396 3.412 20 5 EGBDHN CC(C)c1ccc(C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000190063382 278032014 /nfs/dbraw/zinc/03/20/14/278032014.db2.gz OUVDJAXLWHQWRP-TZMCWYRMSA-N 0 3 331.416 3.073 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)c1ccccc1 ZINC000058296543 307348272 /nfs/dbraw/zinc/34/82/72/307348272.db2.gz MKJDLLUHDILCAX-UHFFFAOYSA-N 0 3 327.384 3.112 20 5 EGBDHN Cc1c([C@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000125809229 307559963 /nfs/dbraw/zinc/55/99/63/307559963.db2.gz QFCRVSJMOQZVRD-NWDGAFQWSA-N 0 3 331.338 3.190 20 5 EGBDHN CN1CCC[C@]2(CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC000292930474 308081007 /nfs/dbraw/zinc/08/10/07/308081007.db2.gz ZHJBFIHWYHZOJG-SFHVURJKSA-N 0 3 326.400 3.065 20 5 EGBDHN CCC[C@H](C)C(=O)NCCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000293032473 308091974 /nfs/dbraw/zinc/09/19/74/308091974.db2.gz AEFAGXXDQFWZDK-GUYCJALGSA-N 0 3 333.432 3.114 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000293183283 308107016 /nfs/dbraw/zinc/10/70/16/308107016.db2.gz DTLPJSDLHQSVOX-UHFFFAOYSA-N 0 3 340.423 3.163 20 5 EGBDHN C[C@@H](CCCNC(=O)OC(C)(C)C)NCc1csc([N+](=O)[O-])c1 ZINC000295179748 308300094 /nfs/dbraw/zinc/30/00/94/308300094.db2.gz VMKCVJQDRRAMLN-NSHDSACASA-N 0 3 343.449 3.439 20 5 EGBDHN Cc1cc(NCCOC[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302204495 308733306 /nfs/dbraw/zinc/73/33/06/308733306.db2.gz WKAHAQKWOFSSBS-AWEZNQCLSA-N 0 3 331.372 3.059 20 5 EGBDHN O=C(CCNC1(c2ccc(F)cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000411364758 308935716 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COc1cccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1OC ZINC000449090399 310036328 /nfs/dbraw/zinc/03/63/28/310036328.db2.gz NRWDXOVHFGQCSK-ZDUSSCGKSA-N 0 3 330.384 3.333 20 5 EGBDHN COC1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCCC1 ZINC000449348726 310055765 /nfs/dbraw/zinc/05/57/65/310055765.db2.gz UYXODSFEWRPLAE-UHFFFAOYSA-N 0 3 330.331 3.245 20 5 EGBDHN Cc1cc(C)c(CN[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000449732916 310083164 /nfs/dbraw/zinc/08/31/64/310083164.db2.gz FHZQRUPDDFAYET-AWEZNQCLSA-N 0 3 342.399 3.114 20 5 EGBDHN CCN1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450224881 310109558 /nfs/dbraw/zinc/10/95/58/310109558.db2.gz DKRYREUVDWCSAC-UHFFFAOYSA-N 0 3 332.429 3.036 20 5 EGBDHN COc1cc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c([N+](=O)[O-])cc1F ZINC000451474833 310180186 /nfs/dbraw/zinc/18/01/86/310180186.db2.gz BMGBXGLVTRGKRT-IUIKQTSFSA-N 0 3 338.379 3.036 20 5 EGBDHN CCOc1cc(CN[C@H]2C[C@@H](OCC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451483370 310180699 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3.195 20 5 EGBDHN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)ccc1CN(C)C ZINC000458269129 310495397 /nfs/dbraw/zinc/49/53/97/310495397.db2.gz HCICJUURYGOLMM-UHFFFAOYSA-N 0 3 345.374 3.285 20 5 EGBDHN COC(=O)[C@@H]1CC12CCN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC2 ZINC000470177647 310719526 /nfs/dbraw/zinc/71/95/26/310719526.db2.gz SSNCRTWLWLLUQH-QXSWTLKVSA-N 0 3 344.411 3.273 20 5 EGBDHN CCOc1cccc(N2CCN([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488752375 311078391 /nfs/dbraw/zinc/07/83/91/311078391.db2.gz KLCCADDBJJLFQR-IJEWVQPXSA-N 0 3 333.432 3.160 20 5 EGBDHN CN(C)Cc1ccccc1NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492882993 311302794 /nfs/dbraw/zinc/30/27/94/311302794.db2.gz AKDJDIXVDANHED-NTMALXAHSA-N 0 3 343.358 3.447 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000514837219 312248083 /nfs/dbraw/zinc/24/80/83/312248083.db2.gz OAAAQAHFBNMFPQ-JKSUJKDBSA-N 0 3 347.459 3.149 20 5 EGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2noc3ccccc32)n1 ZINC000515498097 312286069 /nfs/dbraw/zinc/28/60/69/312286069.db2.gz DSAYBKKOCRVQON-UKRRQHHQSA-N 0 3 341.371 3.206 20 5 EGBDHN CCOc1ccc([C@@H](C)NC[C@@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000536625657 314132066 /nfs/dbraw/zinc/13/20/66/314132066.db2.gz LYHGPCDUGRRHPD-KGLIPLIRSA-N 0 3 348.399 3.088 20 5 EGBDHN C[C@H]1CCC[C@@]1(O)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000563978781 316100076 /nfs/dbraw/zinc/10/00/76/316100076.db2.gz MRQSWAZKGKDQSK-SCLBCKFNSA-N 0 3 330.384 3.496 20 5 EGBDHN CCCN(CCN1CCCCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000564496228 316158891 /nfs/dbraw/zinc/15/88/91/316158891.db2.gz IXEGNYIPKPJIKU-UHFFFAOYSA-N 0 3 347.459 3.252 20 5 EGBDHN C[C@@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000380041785 324243231 /nfs/dbraw/zinc/24/32/31/324243231.db2.gz SBIIBTROYVRIFR-DNVCBOLYSA-N 0 3 325.412 3.347 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1[C@H]1CCCOC1 ZINC000579118575 325065640 /nfs/dbraw/zinc/06/56/40/325065640.db2.gz CYLPPULIODJJBT-YOEHRIQHSA-N 0 3 334.416 3.385 20 5 EGBDHN CN(C)Cc1ccccc1NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000579574472 325129371 /nfs/dbraw/zinc/12/93/71/325129371.db2.gz HDBABCLHFVHRKZ-UHFFFAOYSA-N 0 3 338.367 3.390 20 5 EGBDHN CCCCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000338420321 456808368 /nfs/dbraw/zinc/80/83/68/456808368.db2.gz DMSMYIDOXUKCOO-LBPRGKRZSA-N 0 3 325.434 3.041 20 5 EGBDHN C[C@@H](N[C@@H](C)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157734314 455225629 /nfs/dbraw/zinc/22/56/29/455225629.db2.gz OCCCWURLTXZYKW-VHSXEESVSA-N 0 3 325.796 3.353 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCn2ccnc2)s1 ZINC000237956107 455237363 /nfs/dbraw/zinc/23/73/63/455237363.db2.gz GHFOAWRBZQPUAY-UHFFFAOYSA-N 0 3 328.397 3.310 20 5 EGBDHN CCN(CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000010448391 453291127 /nfs/dbraw/zinc/29/11/27/453291127.db2.gz CORDFWYIXMLBRO-SFHVURJKSA-N 0 3 341.411 3.408 20 5 EGBDHN CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000016445622 453607858 /nfs/dbraw/zinc/60/78/58/453607858.db2.gz KSZMKJNRVNKJHW-UHFFFAOYSA-N 0 3 325.796 3.451 20 5 EGBDHN Cc1ccccc1CN1CCCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000075669599 453915852 /nfs/dbraw/zinc/91/58/52/453915852.db2.gz IXNORHBRJGGXSR-UHFFFAOYSA-N 0 3 326.400 3.011 20 5 EGBDHN CC(C)N(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000077358850 454096328 /nfs/dbraw/zinc/09/63/28/454096328.db2.gz NQCWLMRYMCZAFR-UHFFFAOYSA-N 0 3 325.796 3.450 20 5 EGBDHN C[C@@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000095968082 454242559 /nfs/dbraw/zinc/24/25/59/454242559.db2.gz KLHYEFPMIDSMDH-CZUORRHYSA-N 0 3 339.395 3.330 20 5 EGBDHN CCC[C@@H](NCCn1cnnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090031769 454264683 /nfs/dbraw/zinc/26/46/83/454264683.db2.gz YFQUHOVMQNCGIJ-MRXNPFEDSA-N 0 3 329.404 3.195 20 5 EGBDHN Cc1cnc(N(C)C2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000078663328 454294181 /nfs/dbraw/zinc/29/41/81/454294181.db2.gz CMIDOZJTGUHDNO-UHFFFAOYSA-N 0 3 340.427 3.399 20 5 EGBDHN O=C(CCN1CCc2ccsc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000132552861 454347598 /nfs/dbraw/zinc/34/75/98/454347598.db2.gz JNWZAEHKPAOBNJ-UHFFFAOYSA-N 0 3 331.397 3.043 20 5 EGBDHN CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CCS1 ZINC000072861513 454352960 /nfs/dbraw/zinc/35/29/60/454352960.db2.gz PEASEWXWFGRYEB-CQSZACIVSA-N 0 3 337.445 3.059 20 5 EGBDHN O=C(N[C@H]1CCN2CCCC[C@H]12)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000047287039 454353504 /nfs/dbraw/zinc/35/35/04/454353504.db2.gz UYFYRJDIJOXEKB-UONOGXRCSA-N 0 3 345.424 3.166 20 5 EGBDHN CCN(CC)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000073109523 454396461 /nfs/dbraw/zinc/39/64/61/454396461.db2.gz FZGSYYFFUJFQMT-KRWDZBQOSA-N 0 3 344.415 3.493 20 5 EGBDHN Cc1ccc(CN(CCN(C)C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000048050761 454435505 /nfs/dbraw/zinc/43/55/05/454435505.db2.gz KZZQLVIKCRWIKO-UHFFFAOYSA-N 0 3 346.387 3.092 20 5 EGBDHN CCN(CC)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccco1 ZINC000064114339 454467298 /nfs/dbraw/zinc/46/72/98/454467298.db2.gz UDCDCAAQMBMDDA-NSHDSACASA-N 0 3 349.416 3.392 20 5 EGBDHN CCC1(O)CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000266746953 455447786 /nfs/dbraw/zinc/44/77/86/455447786.db2.gz OXCAKUQPRVTKOJ-UHFFFAOYSA-N 0 3 345.399 3.029 20 5 EGBDHN Cc1cc(NCc2ccccc2OCCN(C)C)ccc1[N+](=O)[O-] ZINC000092627303 454597214 /nfs/dbraw/zinc/59/72/14/454597214.db2.gz LGMWTJADZKPAJF-UHFFFAOYSA-N 0 3 329.400 3.456 20 5 EGBDHN COC1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOCC1 ZINC000123161608 454609111 /nfs/dbraw/zinc/60/91/11/454609111.db2.gz BYLPCYKQMCYWHJ-UHFFFAOYSA-N 0 3 346.383 3.140 20 5 EGBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCc2c1cnn2C ZINC000135615928 454694715 /nfs/dbraw/zinc/69/47/15/454694715.db2.gz QTEHKPQCZWATDH-KRWDZBQOSA-N 0 3 344.415 3.107 20 5 EGBDHN CC(C)n1cc([C@H](C)NCCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000612517453 460646224 /nfs/dbraw/zinc/64/62/24/460646224.db2.gz APPQWEOYYZWWQY-AWEZNQCLSA-N 0 3 332.404 3.492 20 5 EGBDHN Cc1cccc(C(=O)NC[C@H]2CCCCN2CC(C)C)c1[N+](=O)[O-] ZINC000154229765 454876299 /nfs/dbraw/zinc/87/62/99/454876299.db2.gz AJBIZAHJCZHDCK-OAHLLOKOSA-N 0 3 333.432 3.144 20 5 EGBDHN CN(CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000112085328 454880185 /nfs/dbraw/zinc/88/01/85/454880185.db2.gz XDZJRZNDTOXQJS-UHFFFAOYSA-N 0 3 347.802 3.110 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN2CCC(OC[C@@H]3CCCCO3)CC2)cc1 ZINC000177581605 454880469 /nfs/dbraw/zinc/88/04/69/454880469.db2.gz NXLMHXDZDIBVCS-IBGZPJMESA-N 0 3 348.443 3.187 20 5 EGBDHN CC[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126986852 454930399 /nfs/dbraw/zinc/93/03/99/454930399.db2.gz YEYMTOWGFGSACJ-FUHWJXTLSA-N 0 3 345.443 3.427 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1cccnc1 ZINC000127686469 454987507 /nfs/dbraw/zinc/98/75/07/454987507.db2.gz YVPDSANFTPEBJK-CQSZACIVSA-N 0 3 342.399 3.320 20 5 EGBDHN CC(C)N(CCN(C)C)C(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000151952033 455053402 /nfs/dbraw/zinc/05/34/02/455053402.db2.gz YPWSNGCEUGHGGK-UHFFFAOYSA-N 0 3 347.337 3.026 20 5 EGBDHN C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCCCCC1 ZINC000129559613 455116134 /nfs/dbraw/zinc/11/61/34/455116134.db2.gz YZMICEPAULUBKT-HNNXBMFYSA-N 0 3 345.443 3.350 20 5 EGBDHN Cc1ccc(NC(=O)N2CCCN(C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000172438400 455154216 /nfs/dbraw/zinc/15/42/16/455154216.db2.gz LUNRXEZZAZCMJH-UHFFFAOYSA-N 0 3 346.431 3.385 20 5 EGBDHN COC(=O)c1cccc(OCCN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180429620 455168371 /nfs/dbraw/zinc/16/83/71/455168371.db2.gz ZTZNJTNMYKBLCL-CYBMUJFWSA-N 0 3 344.367 3.111 20 5 EGBDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000190431218 455315383 /nfs/dbraw/zinc/31/53/83/455315383.db2.gz NMHIPYLYKAAYHG-RDJZCZTQSA-N 0 3 344.415 3.130 20 5 EGBDHN CCc1ccc(C(=O)N2CCC[C@H]2CN2CCCCC2)cc1[N+](=O)[O-] ZINC000174177671 455367886 /nfs/dbraw/zinc/36/78/86/455367886.db2.gz IYEBIUHXZTUJHY-KRWDZBQOSA-N 0 3 345.443 3.248 20 5 EGBDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000246272494 455460825 /nfs/dbraw/zinc/46/08/25/455460825.db2.gz MKLSXQTYRQTNBM-RBUKOAKNSA-N 0 3 342.395 3.474 20 5 EGBDHN C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@H]12 ZINC000182470224 455520040 /nfs/dbraw/zinc/52/00/40/455520040.db2.gz CQWZDYFXDOFUIX-XYPHTWIQSA-N 0 3 331.416 3.068 20 5 EGBDHN CCN1CCCC[C@H]1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247170425 455569242 /nfs/dbraw/zinc/56/92/42/455569242.db2.gz VHFSRELAEUWEQX-ZBFHGGJFSA-N 0 3 348.447 3.138 20 5 EGBDHN CCOc1ccc(NC(=O)CN[C@@H](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000182704233 455572142 /nfs/dbraw/zinc/57/21/42/455572142.db2.gz INMUWAJZENUWRI-ZDUSSCGKSA-N 0 3 349.431 3.490 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2c2ccccc2)c1 ZINC000247337642 455589209 /nfs/dbraw/zinc/58/92/09/455589209.db2.gz RGLZSROSVYYYIG-MJGOQNOKSA-N 0 3 342.395 3.172 20 5 EGBDHN C[C@@H]1CN(CCCNc2ccc3ncccc3c2[N+](=O)[O-])CCCO1 ZINC000277566388 455600254 /nfs/dbraw/zinc/60/02/54/455600254.db2.gz AUAVNMWVILFCPY-CQSZACIVSA-N 0 3 344.415 3.056 20 5 EGBDHN CC(C)[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271452772 455642772 /nfs/dbraw/zinc/64/27/72/455642772.db2.gz FBSIVBOQCGVVFL-DOMZBBRYSA-N 0 3 344.358 3.489 20 5 EGBDHN CC(C)(CCCO)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000271509542 455664245 /nfs/dbraw/zinc/66/42/45/455664245.db2.gz LOUNFALQOZLZRS-UHFFFAOYSA-N 0 3 332.347 3.085 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)c1cccc(F)c1)CCC2 ZINC000192745090 455684117 /nfs/dbraw/zinc/68/41/17/455684117.db2.gz DQYSTEFIPDVDLF-MSOLQXFVSA-N 0 3 330.359 3.435 20 5 EGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@H]1c1cccs1 ZINC000248374563 455708800 /nfs/dbraw/zinc/70/88/00/455708800.db2.gz RNPBVMHWPARIKI-HIFRSBDPSA-N 0 3 348.424 3.233 20 5 EGBDHN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCC[C@@H](C)C1 ZINC000193958985 455788220 /nfs/dbraw/zinc/78/82/20/455788220.db2.gz JJRPWEGEHSJJEG-OLZOCXBDSA-N 0 3 346.431 3.012 20 5 EGBDHN O=C(CCN1CCC=C(c2ccco2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000285385959 455834726 /nfs/dbraw/zinc/83/47/26/455834726.db2.gz SAAVOCVNRJHLTB-UHFFFAOYSA-N 0 3 341.367 3.306 20 5 EGBDHN Cc1ccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000187180096 455876951 /nfs/dbraw/zinc/87/69/51/455876951.db2.gz CLDZPFTUYNKENE-RDTXWAMCSA-N 0 3 341.411 3.324 20 5 EGBDHN C[C@H](CO)CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000270319990 455928881 /nfs/dbraw/zinc/92/88/81/455928881.db2.gz XPAAYXJUNWYMGV-LBPRGKRZSA-N 0 3 335.429 3.217 20 5 EGBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000272479682 455964977 /nfs/dbraw/zinc/96/49/77/455964977.db2.gz MBHGWEVUCMMTSR-UKRRQHHQSA-N 0 3 349.431 3.330 20 5 EGBDHN Nc1ccc(NCCCN2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000286227012 456003831 /nfs/dbraw/zinc/00/38/31/456003831.db2.gz TWRQPAPWKRZWOL-UHFFFAOYSA-N 0 3 326.400 3.037 20 5 EGBDHN Cc1cc(N(C)[C@H]2CCCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301424045 456112993 /nfs/dbraw/zinc/11/29/93/456112993.db2.gz GJHANTVZLCAGAZ-KRWDZBQOSA-N 0 3 340.427 3.399 20 5 EGBDHN O=C(CN1CCC[C@@H]2CCCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000230115479 456132304 /nfs/dbraw/zinc/13/23/04/456132304.db2.gz QPSBPVWORKUNRA-WMLDXEAASA-N 0 3 343.427 3.139 20 5 EGBDHN C[C@@H](N[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297206149 456148838 /nfs/dbraw/zinc/14/88/38/456148838.db2.gz GHPVCLKAASEVKG-FWYOQMDTSA-N 0 3 347.415 3.111 20 5 EGBDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297398268 456208969 /nfs/dbraw/zinc/20/89/69/456208969.db2.gz FORAFIOWLFHJNR-BBRMVZONSA-N 0 3 341.415 3.158 20 5 EGBDHN CN(CCN1CCCC1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000301858510 456235313 /nfs/dbraw/zinc/23/53/13/456235313.db2.gz JMXTWKMITKMOIR-UHFFFAOYSA-N 0 3 326.400 3.189 20 5 EGBDHN COc1cc(CN[C@@H](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237143051 456237834 /nfs/dbraw/zinc/23/78/34/456237834.db2.gz VMBBQGQKXCJMSE-VIFPVBQESA-N 0 3 348.321 3.433 20 5 EGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297590163 456258511 /nfs/dbraw/zinc/25/85/11/456258511.db2.gz MQDCEJFOUJUQAX-UONOGXRCSA-N 0 3 348.447 3.028 20 5 EGBDHN O=[N+]([O-])c1ccsc1NCc1ccccc1CN1CCC[C@@H]1CO ZINC000302028166 456271431 /nfs/dbraw/zinc/27/14/31/456271431.db2.gz AUKOPJKGBBIUNA-OAHLLOKOSA-N 0 3 347.440 3.225 20 5 EGBDHN C[C@H](CN(C)Cc1ccccc1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000302041448 456273796 /nfs/dbraw/zinc/27/37/96/456273796.db2.gz WNCVNBGKGRXWOJ-GFCCVEGCSA-N 0 3 345.428 3.236 20 5 EGBDHN Cc1cc(NC[C@H](C)Cn2cccn2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302136862 456296687 /nfs/dbraw/zinc/29/66/87/456296687.db2.gz DKJAXYSXNJGOKL-LBPRGKRZSA-N 0 3 325.372 3.396 20 5 EGBDHN C[C@@]1(CO)CCC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304316167 456505566 /nfs/dbraw/zinc/50/55/66/456505566.db2.gz LFIKBDAGTGHGRB-WBVHZDCISA-N 0 3 347.440 3.359 20 5 EGBDHN CC1(C)C[C@@H](N[C@@H]2CCC(=O)NC23CCC3)c2cc([N+](=O)[O-])ccc21 ZINC000282958096 456674837 /nfs/dbraw/zinc/67/48/37/456674837.db2.gz CJLFBJBVMDEOMH-HZPDHXFCSA-N 0 3 343.427 3.108 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1F ZINC000283311514 456756659 /nfs/dbraw/zinc/75/66/59/456756659.db2.gz ZAOMKWDAQBHOGE-RHSMWYFYSA-N 0 3 333.407 3.183 20 5 EGBDHN Cc1cccc(CN(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000348551779 456762313 /nfs/dbraw/zinc/76/23/13/456762313.db2.gz IULAAWDZLUJIBC-UHFFFAOYSA-N 0 3 342.399 3.067 20 5 EGBDHN Cc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000353708888 456865299 /nfs/dbraw/zinc/86/52/99/456865299.db2.gz IQKIOCMBUBZGEN-INIZCTEOSA-N 0 3 326.400 3.293 20 5 EGBDHN COc1ccc(-c2ccc(CN(C)C[C@@H](C)OC)o2)c([N+](=O)[O-])c1 ZINC000348836512 456877437 /nfs/dbraw/zinc/87/74/37/456877437.db2.gz XBAJHMUAFNBFIF-GFCCVEGCSA-N 0 3 334.372 3.330 20 5 EGBDHN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCCC[C@H]1C ZINC000339004320 456894932 /nfs/dbraw/zinc/89/49/32/456894932.db2.gz RDZLRNTVMOXHPK-OLZOCXBDSA-N 0 3 346.431 3.154 20 5 EGBDHN C[C@@]1(CO)CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339106886 456943624 /nfs/dbraw/zinc/94/36/24/456943624.db2.gz BOFRQIORFOWLIH-KBPBESRZSA-N 0 3 332.322 3.254 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCN(C2CCCC2)CC1 ZINC000349798215 457056414 /nfs/dbraw/zinc/05/64/14/457056414.db2.gz FQODWKFAEVZXAH-UHFFFAOYSA-N 0 3 333.432 3.054 20 5 EGBDHN CCC[C@H](NC[C@@H]1CN(CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000359517173 457091302 /nfs/dbraw/zinc/09/13/02/457091302.db2.gz MXVWVLOFACGGOP-MOPGFXCFSA-N 0 3 349.475 3.382 20 5 EGBDHN Cc1nccnc1CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000339529252 457137535 /nfs/dbraw/zinc/13/75/35/457137535.db2.gz PAEJSCJOYJZVFL-UHFFFAOYSA-N 0 3 338.367 3.286 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1CCN(C)C ZINC000354232788 457145919 /nfs/dbraw/zinc/14/59/19/457145919.db2.gz CLPUIUBNWWGOAA-UHFFFAOYSA-N 0 3 327.384 3.260 20 5 EGBDHN C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000346782584 457166647 /nfs/dbraw/zinc/16/66/47/457166647.db2.gz HJVRRRQNTVAIIF-NEPJUHHUSA-N 0 3 339.823 3.241 20 5 EGBDHN C[C@H]1CCCC[C@@H]1OCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331872159 457266589 /nfs/dbraw/zinc/26/65/89/457266589.db2.gz HDZPVLORRSPJDK-HOCLYGCPSA-N 0 3 336.436 3.024 20 5 EGBDHN C[C@@H](C1CCC1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000357020633 457281203 /nfs/dbraw/zinc/28/12/03/457281203.db2.gz FYOITKCIBDTQBD-JTQLQIEISA-N 0 3 325.796 3.307 20 5 EGBDHN CN(CCC(=O)Nc1cccc(F)c1)CCc1ccccc1[N+](=O)[O-] ZINC000352543828 457454097 /nfs/dbraw/zinc/45/40/97/457454097.db2.gz KIGVYLKNESKFKE-UHFFFAOYSA-N 0 3 345.374 3.237 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(O[C@H]2CCOC2)CC1 ZINC000352546417 457456398 /nfs/dbraw/zinc/45/63/98/457456398.db2.gz UYKVVSLQCKCBKW-PBHICJAKSA-N 0 3 334.416 3.234 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@@H](C)C[C@@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000361045001 457540721 /nfs/dbraw/zinc/54/07/21/457540721.db2.gz VRTKAIMZGOENPW-NWDGAFQWSA-N 0 3 334.372 3.112 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCC(F)(F)F ZINC000357472051 457550041 /nfs/dbraw/zinc/55/00/41/457550041.db2.gz PQESQUOEXUUSII-UHFFFAOYSA-N 0 3 333.310 3.116 20 5 EGBDHN C[C@@]1(NCc2cccc([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000406031154 457554725 /nfs/dbraw/zinc/55/47/25/457554725.db2.gz NBHNKWMHTQXSKN-LJQANCHMSA-N 0 3 325.412 3.349 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)C[C@H](O)Cc1ccccc1 ZINC000433045476 457651361 /nfs/dbraw/zinc/65/13/61/457651361.db2.gz MDMOFIAMBOXAJZ-CRAIPNDOSA-N 0 3 328.412 3.500 20 5 EGBDHN CC(C)[C@@H](c1ccc(F)cc1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000434620002 458022973 /nfs/dbraw/zinc/02/29/73/458022973.db2.gz WBCVGDGYXXOKHR-SFHVURJKSA-N 0 3 347.390 3.225 20 5 EGBDHN Cc1c([C@H](C)NCc2cccc(-n3cncn3)c2)cccc1[N+](=O)[O-] ZINC000362236966 458044365 /nfs/dbraw/zinc/04/43/65/458044365.db2.gz HVNYSWRRPLDPQU-AWEZNQCLSA-N 0 3 337.383 3.335 20 5 EGBDHN CN(C)CCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000428956222 458240918 /nfs/dbraw/zinc/24/09/18/458240918.db2.gz XWNNLTHGWBTKSE-UHFFFAOYSA-N 0 3 345.424 3.037 20 5 EGBDHN CC(C)N1C[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000436415201 458301751 /nfs/dbraw/zinc/30/17/51/458301751.db2.gz WNHRBCWYISFTNV-ONGXEEELSA-N 0 3 332.326 3.149 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H]1Cc2cccc(O)c2C1 ZINC000429322018 458316833 /nfs/dbraw/zinc/31/68/33/458316833.db2.gz HAZIVCMSDLSFCD-HNNXBMFYSA-N 0 3 342.395 3.345 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCCNC(=O)C1CCC1 ZINC000429552280 458344345 /nfs/dbraw/zinc/34/43/45/458344345.db2.gz JEUXGSTVGAWYOF-AWEZNQCLSA-N 0 3 333.432 3.202 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000447910779 458365264 /nfs/dbraw/zinc/36/52/64/458365264.db2.gz DHPCLEDIJNFZGC-OAHLLOKOSA-N 0 3 334.420 3.145 20 5 EGBDHN CCC1CCC(N(CCO)Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430239705 458426796 /nfs/dbraw/zinc/42/67/96/458426796.db2.gz BTAQSEJLNGVORB-UHFFFAOYSA-N 0 3 336.432 3.367 20 5 EGBDHN C[C@@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000438092283 458530599 /nfs/dbraw/zinc/53/05/99/458530599.db2.gz FXNROJYDKUHFPK-BBRMVZONSA-N 0 3 344.390 3.419 20 5 EGBDHN Cc1cc(N2CC[C@@H](N3CC=CC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461933340 458580570 /nfs/dbraw/zinc/58/05/70/458580570.db2.gz FIKDPUNNUQRHFC-GFCCVEGCSA-N 0 3 341.333 3.373 20 5 EGBDHN CCN1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461975717 458585255 /nfs/dbraw/zinc/58/52/55/458585255.db2.gz UZFZDKFUOGWKCK-UHFFFAOYSA-N 0 3 331.338 3.454 20 5 EGBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H]1C ZINC000470139387 458616012 /nfs/dbraw/zinc/61/60/12/458616012.db2.gz BQCFMHWQLAVIDY-OCCSQVGLSA-N 0 3 344.367 3.238 20 5 EGBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000470149751 458616499 /nfs/dbraw/zinc/61/64/99/458616499.db2.gz CRSXRKLGXZCIHU-LRDDRELGSA-N 0 3 344.367 3.238 20 5 EGBDHN CCCNC(=O)[C@H]1CCCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470183840 458622977 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EGBDHN Cc1ccc([C@@H](C)NC[C@@H](O)COc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000765289704 1302239268 /nfs/dbraw/zinc/23/92/68/1302239268.db2.gz NAHTWHGYRLCHGE-CZUORRHYSA-N 0 3 348.374 3.133 20 5 EGBDHN CN(CCCOc1ccccc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275988 1304126660 /nfs/dbraw/zinc/12/66/60/1304126660.db2.gz JJWYHHJZTCYSBE-SFHVURJKSA-N 0 3 330.384 3.029 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCCN(C)Cc2ccccc2)c1C ZINC000888375245 1304139739 /nfs/dbraw/zinc/13/97/39/1304139739.db2.gz PYLLERNHJNCICK-UHFFFAOYSA-N 0 3 341.411 3.073 20 5 EGBDHN Cc1nc(C)c([C@@H](C)N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000776583197 1304174503 /nfs/dbraw/zinc/17/45/03/1304174503.db2.gz ZBHZPLLHBOIUMW-IAQYHMDHSA-N 0 3 335.429 3.395 20 5 EGBDHN Cc1cccnc1[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776592327 1304177886 /nfs/dbraw/zinc/17/78/86/1304177886.db2.gz LCODBRAAZWKSGD-IAGOWNOFSA-N 0 3 329.400 3.319 20 5 EGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777729151 1304340293 /nfs/dbraw/zinc/34/02/93/1304340293.db2.gz FWYFPZAHGHNJNG-FZKQIMNGSA-N 0 3 330.359 3.388 20 5 EGBDHN O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(C2CC2)CC1 ZINC000783585808 1305112132 /nfs/dbraw/zinc/11/21/32/1305112132.db2.gz ZYVDERIIONMISG-UHFFFAOYSA-N 0 3 338.791 3.166 20 5 EGBDHN COc1c([O-])ccc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000892018760 1305230390 /nfs/dbraw/zinc/23/03/90/1305230390.db2.gz IZFBPLDUBRPZBS-GFCCVEGCSA-N 0 3 346.383 3.078 20 5 EGBDHN COc1c([O-])ccc(C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000892018760 1305230395 /nfs/dbraw/zinc/23/03/95/1305230395.db2.gz IZFBPLDUBRPZBS-GFCCVEGCSA-N 0 3 346.383 3.078 20 5 EGBDHN COc1c(O)ccc(CN(C)[C@H](C)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000892018760 1305230399 /nfs/dbraw/zinc/23/03/99/1305230399.db2.gz IZFBPLDUBRPZBS-GFCCVEGCSA-N 0 3 346.383 3.078 20 5 EGBDHN O=C1CCCCCN1CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892440862 1305374840 /nfs/dbraw/zinc/37/48/40/1305374840.db2.gz IJDKLZWFHHZUSV-UHFFFAOYSA-N 0 3 339.823 3.131 20 5 EGBDHN COc1c(O)ccc(CN[C@@H](CC(F)(F)F)C(C)C)c1[N+](=O)[O-] ZINC000893895904 1306119610 /nfs/dbraw/zinc/11/96/10/1306119610.db2.gz UDJGFDSYGONGRR-JTQLQIEISA-N 0 3 336.310 3.376 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(C/C=C/c3cccc(F)c3)CC2)n1 ZINC000894580241 1308964905 /nfs/dbraw/zinc/96/49/05/1308964905.db2.gz RTXUDFGVKZUHAT-DUXPYHPUSA-N 0 3 330.363 3.281 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@@H]1CCCN1CC(F)F ZINC000895572631 1309407721 /nfs/dbraw/zinc/40/77/21/1309407721.db2.gz ADGOPKRNBSKAAL-LBPRGKRZSA-N 0 3 333.766 3.067 20 5 EGBDHN COc1ccc(CN(C/C=C\c2ccccc2[N+](=O)[O-])CCO)cc1 ZINC000895709659 1309480331 /nfs/dbraw/zinc/48/03/31/1309480331.db2.gz AGFAEZXUJSTJMN-XQRVVYSFSA-N 0 3 342.395 3.111 20 5 EGBDHN Cc1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000802657948 1317023901 /nfs/dbraw/zinc/02/39/01/1317023901.db2.gz GATKQJOJNWWGDW-UHFFFAOYSA-N 0 3 329.356 3.486 20 5 EGBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])C1(NC(=O)OC(C)(C)C)CC1 ZINC000903112171 1317656270 /nfs/dbraw/zinc/65/62/70/1317656270.db2.gz FOWDAMSLRLIYEW-LBPRGKRZSA-N 0 3 335.404 3.130 20 5 EGBDHN CC(C)CN(CCN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809912262 1317916700 /nfs/dbraw/zinc/91/67/00/1317916700.db2.gz BPCJUYHIADCHES-UHFFFAOYSA-N 0 3 342.827 3.300 20 5 EGBDHN C[C@H]1C[C@H](Nc2cc(Br)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000811811899 1318272378 /nfs/dbraw/zinc/27/23/78/1318272378.db2.gz HWQUGPDZEGUUNJ-ONGXEEELSA-N 0 3 340.221 3.394 20 5 EGBDHN COC(=O)Nc1cccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000815626246 1319032014 /nfs/dbraw/zinc/03/20/14/1319032014.db2.gz ZHEVLPQAYIYNOU-NSHDSACASA-N 0 3 344.371 3.206 20 5 EGBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2F)N(C)C)cc1 ZINC000824244132 1320241991 /nfs/dbraw/zinc/24/19/91/1320241991.db2.gz DVAIQBSTIDKYGD-KRWDZBQOSA-N 0 3 345.374 3.075 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000824376651 1320252367 /nfs/dbraw/zinc/25/23/67/1320252367.db2.gz SGMFLSVAFSJYKI-HUUCEWRRSA-N 0 3 349.456 3.063 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C(=O)N2CCCN(C(C)C)CC2)cc1Cl ZINC000836605014 1320510528 /nfs/dbraw/zinc/51/05/28/1320510528.db2.gz YPRHQLLUVYHBGE-UHFFFAOYSA-N 0 3 339.823 3.113 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN(C(C)C)C2)cc1Cl ZINC000836785905 1320534676 /nfs/dbraw/zinc/53/46/76/1320534676.db2.gz ZCHYYMIQJLRDQR-LBPRGKRZSA-N 0 3 339.823 3.159 20 5 EGBDHN CC(C)CO[C@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873359 1321747964 /nfs/dbraw/zinc/74/79/64/1321747964.db2.gz CUHRMMVZZKWYDG-YWPYICTPSA-N 0 3 327.352 3.136 20 5 EGBDHN CC([C@@H](OC(=O)CCc1ccccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845873613 1321748016 /nfs/dbraw/zinc/74/80/16/1321748016.db2.gz DIBLSHDBNVVVKY-SJKOYZFVSA-N 0 3 332.331 3.103 20 5 EGBDHN CC(C)c1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n[nH]1 ZINC000845873756 1321748048 /nfs/dbraw/zinc/74/80/48/1321748048.db2.gz FXQVWQLCBDJLRC-BONVTDFDSA-N 0 3 335.335 3.236 20 5 EGBDHN CC(C)n1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845879276 1321749127 /nfs/dbraw/zinc/74/91/27/1321749127.db2.gz IHCNZQUDHVUTQT-NHYWBVRUSA-N 0 3 335.335 3.166 20 5 EGBDHN COC1(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CCC1 ZINC000845877732 1321749315 /nfs/dbraw/zinc/74/93/15/1321749315.db2.gz GLZVVJHITPQDRD-XHDPSFHLSA-N 0 3 325.336 3.034 20 5 EGBDHN CCc1ncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845877486 1321749333 /nfs/dbraw/zinc/74/93/33/1321749333.db2.gz SEMOPICZHDYKGD-LKFCYVNXSA-N 0 3 338.360 3.408 20 5 EGBDHN CCC(C)(C)OCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881245 1321750106 /nfs/dbraw/zinc/75/01/06/1321750106.db2.gz KROJOMOXIOEDPQ-ABAIWWIYSA-N 0 3 327.352 3.280 20 5 EGBDHN CC([C@H](OC(=O)CCCC(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845882212 1321750166 /nfs/dbraw/zinc/75/01/66/1321750166.db2.gz NYKTXHCREGRXAH-DIFFPNOSSA-N 0 3 337.347 3.225 20 5 EGBDHN CC(C)c1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n(C)n1 ZINC000845881127 1321750651 /nfs/dbraw/zinc/75/06/51/1321750651.db2.gz YCXDPGHOOMDXIY-BZNIZROVSA-N 0 3 349.362 3.246 20 5 EGBDHN CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848530230 1321970482 /nfs/dbraw/zinc/97/04/82/1321970482.db2.gz CHJDECLROPWGMG-IUODEOHRSA-N 0 3 347.415 3.181 20 5 EGBDHN CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848530229 1321970556 /nfs/dbraw/zinc/97/05/56/1321970556.db2.gz CHJDECLROPWGMG-DOMZBBRYSA-N 0 3 347.415 3.181 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H]1COC2(CCCCC2)O1 ZINC000848537841 1321971660 /nfs/dbraw/zinc/97/16/60/1321971660.db2.gz OQKDLJIVWVELEJ-CZUORRHYSA-N 0 3 332.400 3.248 20 5 EGBDHN COC(=O)Cc1ccccc1CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000848571289 1321977982 /nfs/dbraw/zinc/97/79/82/1321977982.db2.gz FHCRKDSBHXAVAK-CQSZACIVSA-N 0 3 342.395 3.470 20 5 EGBDHN C[C@@](O)(CNCc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000922565226 1322557982 /nfs/dbraw/zinc/55/79/82/1322557982.db2.gz ZTEZETRXWHIHJW-MRXNPFEDSA-N 0 3 338.766 3.385 20 5 EGBDHN C[C@](O)(CNCc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000922565225 1322558198 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EGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934436965 1329978683 /nfs/dbraw/zinc/97/86/83/1329978683.db2.gz FMKNXFXYHGMHON-IDHHARJASA-N 0 3 326.396 3.191 20 5 EGBDHN Cc1cccc2nc(CN[C@H](C)Cc3ccc(F)cc3[N+](=O)[O-])cn21 ZINC000866262172 1330087314 /nfs/dbraw/zinc/08/73/14/1330087314.db2.gz JLQPXFYBYCFKHK-GFCCVEGCSA-N 0 3 342.374 3.411 20 5 EGBDHN CC(C)(C)CC(=O)NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222381068 1373830656 /nfs/dbraw/zinc/83/06/56/1373830656.db2.gz FSSORARKCUXXFT-UHFFFAOYSA-N 0 3 347.459 3.359 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C(C)(C)C)CC1 ZINC001326711896 1388286991 /nfs/dbraw/zinc/28/69/91/1388286991.db2.gz RMPRQROQXDLVLF-UHFFFAOYSA-N 0 3 335.448 3.298 20 5 EGBDHN COc1cc(O[C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001225435837 1375109947 /nfs/dbraw/zinc/10/99/47/1375109947.db2.gz LQNZBWRXEWUGET-MRXNPFEDSA-N 0 3 328.368 3.257 20 5 EGBDHN CN1CCC(Oc2cc(C(=O)OC(C)(C)C)ccc2[N+](=O)[O-])CC1 ZINC001233529230 1376662650 /nfs/dbraw/zinc/66/26/50/1376662650.db2.gz UNTJDUMNEKZRKC-UHFFFAOYSA-N 0 3 336.388 3.023 20 5 EGBDHN Cc1oc(C(C)C)cc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001146337064 1378819728 /nfs/dbraw/zinc/81/97/28/1378819728.db2.gz CBFHIVFKWBTNDO-UHFFFAOYSA-N 0 3 345.399 3.139 20 5 EGBDHN C[C@@H]1CN(c2cc([N+](=O)[O-])ccn2)[C@H](C)CN1Cc1ccccc1 ZINC001158524586 1381281720 /nfs/dbraw/zinc/28/17/20/1381281720.db2.gz ZFYWACVNRWSJRE-HUUCEWRRSA-N 0 3 326.400 3.089 20 5 EGBDHN CC(C)=C(F)C(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001164071480 1383153018 /nfs/dbraw/zinc/15/30/18/1383153018.db2.gz YZOCLUBXMGWECB-UHFFFAOYSA-N 0 3 349.406 3.234 20 5 EGBDHN O=[N+]([O-])c1cc2c(cc1N[C@@H](c1ccccn1)C(F)(F)F)CNC2 ZINC001168487495 1383920636 /nfs/dbraw/zinc/92/06/36/1383920636.db2.gz RAKFCKDLKIGOTQ-AWEZNQCLSA-N 0 3 338.289 3.309 20 5 EGBDHN COc1ccc(-c2nc(CN[C@H]3CC[C@@H](C[N+](=O)[O-])C3)cs2)cc1 ZINC001168970965 1384074415 /nfs/dbraw/zinc/07/44/15/1384074415.db2.gz JIXXRMIKPJOBTM-OCCSQVGLSA-N 0 3 347.440 3.354 20 5 EGBDHN CN(Cc1ccccc1Br)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169009094 1384087507 /nfs/dbraw/zinc/08/75/07/1384087507.db2.gz VLJVPYVPUCXBSR-AAEUAGOBSA-N 0 3 327.222 3.326 20 5 EGBDHN COc1ccc(C[C@@H](C)N2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC001170345461 1384295739 /nfs/dbraw/zinc/29/57/39/1384295739.db2.gz LATIZESUNDFNRL-ABAIWWIYSA-N 0 3 326.343 3.266 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NC1(c3ccccc3)COC1)CC2 ZINC001172902105 1384874545 /nfs/dbraw/zinc/87/45/45/1384874545.db2.gz VFOHISXSARBQJK-SFHVURJKSA-N 0 3 338.407 3.358 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCC[C@H]1c1ncccn1)CC2 ZINC001172913073 1384876969 /nfs/dbraw/zinc/87/69/69/1384876969.db2.gz OQRBNYCGWRKPIY-AEFFLSMTSA-N 0 3 338.411 3.469 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2ccc(C)cn2)c1F ZINC001173176880 1384931631 /nfs/dbraw/zinc/93/16/31/1384931631.db2.gz NFBQUXBHYTVVFC-LBPRGKRZSA-N 0 3 333.363 3.167 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)CC(F)(F)CO2 ZINC001173232485 1384941374 /nfs/dbraw/zinc/94/13/74/1384941374.db2.gz HDKCPVFUXCCSDR-SWLSCSKDSA-N 0 3 326.343 3.026 20 5 EGBDHN CC(C)N(CCc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001319513110 1386154304 /nfs/dbraw/zinc/15/43/04/1386154304.db2.gz LWRFTINWXDDHLI-UHFFFAOYSA-N 0 3 341.411 3.147 20 5 EGBDHN O=[N+]([O-])c1ccc2[nH]c(CNCCc3ccc(F)cc3F)nc2c1 ZINC001343926301 1390744671 /nfs/dbraw/zinc/74/46/71/1390744671.db2.gz KJAMUEMGHRHKCD-UHFFFAOYSA-N 0 3 332.310 3.082 20 5 EGBDHN CC([C@@H](OC(=O)c1cnn(C2CCC2)c1)c1ccccc1F)[N+](=O)[O-] ZINC001346535635 1390950746 /nfs/dbraw/zinc/95/07/46/1390950746.db2.gz OXIHXADOFLSSFC-BDJLRTHQSA-N 0 3 347.346 3.311 20 5 EGBDHN O=[N+]([O-])c1ccc(OC2CCN(CCc3ccncc3)CC2)cc1 ZINC000174247258 231159543 /nfs/dbraw/zinc/15/95/43/231159543.db2.gz FJJWWCXAYPVITD-UHFFFAOYSA-N 0 3 327.384 3.076 20 5 EGBDHN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000187205577 299249812 /nfs/dbraw/zinc/24/98/12/299249812.db2.gz PVHWIAZKASNUCN-GUYCJALGSA-N 0 3 327.384 3.016 20 5 EGBDHN C[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000194005582 240397719 /nfs/dbraw/zinc/39/77/19/240397719.db2.gz ISEWBKIBFRUKGH-ZYHUDNBSSA-N 0 3 325.796 3.355 20 5 EGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000195621228 241033353 /nfs/dbraw/zinc/03/33/53/241033353.db2.gz XTSAXZMQGWDFGC-NEPJUHHUSA-N 0 3 339.823 3.098 20 5 EGBDHN CC(C)CCOCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236744408 242342491 /nfs/dbraw/zinc/34/24/91/242342491.db2.gz BUQPSRACMFYXLP-UHFFFAOYSA-N 0 3 346.431 3.148 20 5 EGBDHN COc1cc(NC[C@@H](c2ccco2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000266155047 248135190 /nfs/dbraw/zinc/13/51/90/248135190.db2.gz UZJGXWGWVYEQNX-HNNXBMFYSA-N 0 3 331.372 3.445 20 5 EGBDHN Cn1cc([C@@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cn1 ZINC000378646727 169152566 /nfs/dbraw/zinc/15/25/66/169152566.db2.gz HMJWBXJFAUPEFI-IBGZPJMESA-N 0 3 336.395 3.250 20 5 EGBDHN Cc1c([C@@H](C)NC[C@H](O)COc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000152560072 223983857 /nfs/dbraw/zinc/98/38/57/223983857.db2.gz DRIPDCARUFUHFY-HIFRSBDPSA-N 0 3 348.374 3.133 20 5 EGBDHN CCOc1ccc([C@H](C)N[C@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000154189355 224216495 /nfs/dbraw/zinc/21/64/95/224216495.db2.gz IDYUZBQOMZKJQI-YDHLFZDLSA-N 0 3 333.432 3.269 20 5 EGBDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000119260599 221278532 /nfs/dbraw/zinc/27/85/32/221278532.db2.gz BNGSTDREWSMMIM-ZDUSSCGKSA-N 0 3 327.388 3.022 20 5 EGBDHN CC[C@H](NC(=O)C[C@@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000119358200 221302147 /nfs/dbraw/zinc/30/21/47/221302147.db2.gz GRIOOXCXAVYUTQ-SJORKVTESA-N 0 3 327.384 3.252 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)C[C@@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000119381760 221308140 /nfs/dbraw/zinc/30/81/40/221308140.db2.gz LISMFASLTQANHD-XJKSGUPXSA-N 0 3 327.384 3.171 20 5 EGBDHN CC[C@@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000341205706 141138606 /nfs/dbraw/zinc/13/86/06/141138606.db2.gz HIYZOJMFZGCQEL-QGZVFWFLSA-N 0 3 339.395 3.225 20 5 EGBDHN CC(C)[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000171449604 144004388 /nfs/dbraw/zinc/00/43/88/144004388.db2.gz IQRBUZGMPZPQDK-PBHICJAKSA-N 0 3 333.432 3.283 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN[C@H]2CCCc3c(O)cccc32)c1 ZINC000192364959 144173822 /nfs/dbraw/zinc/17/38/22/144173822.db2.gz XYPZHIMYJPZANF-KRWDZBQOSA-N 0 3 328.368 3.346 20 5 EGBDHN COC[C@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CC1 ZINC000121346743 152344132 /nfs/dbraw/zinc/34/41/32/152344132.db2.gz XYFONRFBLFDKST-INIZCTEOSA-N 0 3 346.383 3.378 20 5 EGBDHN Cc1ccc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189634748 153086677 /nfs/dbraw/zinc/08/66/77/153086677.db2.gz AYMHPIJORPQURC-UKRRQHHQSA-N 0 3 346.349 3.476 20 5 EGBDHN Cc1ccc(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189634730 153086765 /nfs/dbraw/zinc/08/67/65/153086765.db2.gz AYMHPIJORPQURC-HIFRSBDPSA-N 0 3 346.349 3.476 20 5 EGBDHN COc1ccccc1[C@@H]1CCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000305184949 154090230 /nfs/dbraw/zinc/09/02/30/154090230.db2.gz PCKLLQZYSAOOQG-ROUUACIJSA-N 0 3 342.395 3.474 20 5 EGBDHN O=[N+]([O-])c1cnc(N2C[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C2)s1 ZINC000368590722 157232108 /nfs/dbraw/zinc/23/21/08/157232108.db2.gz DQGXQAAUMYTRLA-LSDHHAIUSA-N 0 3 344.440 3.010 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000110347907 162125041 /nfs/dbraw/zinc/12/50/41/162125041.db2.gz WZVDENPVNYEPPC-OAHLLOKOSA-N 0 3 341.411 3.154 20 5 EGBDHN COc1cccc([C@@H](CNc2c(F)cccc2[N+](=O)[O-])N(C)C)c1 ZINC000336878257 163086082 /nfs/dbraw/zinc/08/60/82/163086082.db2.gz CRFSMYGPBJXOCF-MRXNPFEDSA-N 0 3 333.363 3.457 20 5 EGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](C2CC2)C1 ZINC000343954216 164072645 /nfs/dbraw/zinc/07/26/45/164072645.db2.gz MMHVWNTZSAYNPU-RISCZKNCSA-N 0 3 328.372 3.438 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H]4CC[C@H](O)[C@@H]4C3)o2)cc1 ZINC000346334100 164369901 /nfs/dbraw/zinc/36/99/01/164369901.db2.gz NPOSDURZIQZIEJ-XKQJLSEDSA-N 0 3 328.368 3.058 20 5 EGBDHN O=C(c1ccc2c(c1)CNC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000347547242 164519171 /nfs/dbraw/zinc/51/91/71/164519171.db2.gz GFKOMSKCRKXDFI-UHFFFAOYSA-N 0 3 337.379 3.003 20 5 EGBDHN CC[C@@H]1CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@@H]1O ZINC000355194193 166128111 /nfs/dbraw/zinc/12/81/11/166128111.db2.gz GKCIJXKHUNOPTL-PXAZEXFGSA-N 0 3 346.383 3.066 20 5 EGBDHN COc1cccc(NC[C@@H](C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000355331782 166166000 /nfs/dbraw/zinc/16/60/00/166166000.db2.gz NCBOGSAXKQLBLG-CQSZACIVSA-N 0 3 341.411 3.462 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000175459270 265115844 /nfs/dbraw/zinc/11/58/44/265115844.db2.gz CIJBUPIBLZTBBR-XGUBFFRZSA-N 0 3 333.432 3.342 20 5 EGBDHN COC(=O)C(C)(C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000180037840 265394526 /nfs/dbraw/zinc/39/45/26/265394526.db2.gz OUZFCAKOSOYJLO-UHFFFAOYSA-N 0 3 332.356 3.144 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192957648 265999561 /nfs/dbraw/zinc/99/95/61/265999561.db2.gz SZOMAXLOXHWBOP-INIZCTEOSA-N 0 3 343.431 3.054 20 5 EGBDHN CCOc1ccc(NC(=O)CN(CC2CCC2)C(C)C)c([N+](=O)[O-])c1 ZINC000193212890 266016589 /nfs/dbraw/zinc/01/65/89/266016589.db2.gz RWQKBWQBYCOLAW-UHFFFAOYSA-N 0 3 349.431 3.443 20 5 EGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)Cc1ccccc1 ZINC000193506874 266038859 /nfs/dbraw/zinc/03/88/59/266038859.db2.gz KCOQLJOJMJCFLR-LJQANCHMSA-N 0 3 328.412 3.409 20 5 EGBDHN COc1cc(CN[C@@H]2CC=CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272440156 266842676 /nfs/dbraw/zinc/84/26/76/266842676.db2.gz OMMJAWSZOPODMI-GFCCVEGCSA-N 0 3 342.342 3.446 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000274232026 267202448 /nfs/dbraw/zinc/20/24/48/267202448.db2.gz FAOQLDVXAFQCDC-CQSZACIVSA-N 0 3 348.447 3.406 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H]1COC3(CCCC3)O1)CCC2 ZINC000278377174 268000068 /nfs/dbraw/zinc/00/00/68/268000068.db2.gz CQLNEOSFTNOOCR-DOTOQJQBSA-N 0 3 332.400 3.248 20 5 EGBDHN CC(C)c1ccc(CN[C@@H](C2CC2)[C@@]2(CO)CCCO2)cc1[N+](=O)[O-] ZINC000354724083 276053667 /nfs/dbraw/zinc/05/36/67/276053667.db2.gz RRTAFNOYLGSSHH-OALUTQOASA-N 0 3 348.443 3.128 20 5 EGBDHN CCN(CC)[C@@H](CNc1c([N+](=O)[O-])nc(C)n1CC)c1ccco1 ZINC000288187668 276189434 /nfs/dbraw/zinc/18/94/34/276189434.db2.gz RQJGRZKOEJSSTM-ZDUSSCGKSA-N 0 3 335.408 3.208 20 5 EGBDHN COC(=O)[C@@]1(C)CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000413581580 309038266 /nfs/dbraw/zinc/03/82/66/309038266.db2.gz BKRFGZKSNDHMMW-SFHVURJKSA-N 0 3 343.383 3.231 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccccc1 ZINC000067595138 307366688 /nfs/dbraw/zinc/36/66/88/307366688.db2.gz LUROGRGZZNWVAQ-UHFFFAOYSA-N 0 3 341.411 3.107 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000248418291 308002568 /nfs/dbraw/zinc/00/25/68/308002568.db2.gz KFBLGIYXUCNLQG-NOLJZWGESA-N 0 3 347.415 3.052 20 5 EGBDHN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCCOC1 ZINC000293005636 308089471 /nfs/dbraw/zinc/08/94/71/308089471.db2.gz HBWFKFWFSMISSL-NSHDSACASA-N 0 3 332.322 3.472 20 5 EGBDHN Cc1nnsc1CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000293896286 308172046 /nfs/dbraw/zinc/17/20/46/308172046.db2.gz ZIVYGJAPESUMQA-TZMCWYRMSA-N 0 3 332.429 3.256 20 5 EGBDHN C[C@H](C[C@@H](O)c1ccccc1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294776640 308255893 /nfs/dbraw/zinc/25/58/93/308255893.db2.gz NONXHMUCIFZRJS-FHSNZYRGSA-N 0 3 329.400 3.340 20 5 EGBDHN CC(C)(C[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000294909239 308270521 /nfs/dbraw/zinc/27/05/21/308270521.db2.gz XXXCRILBWDBRBC-RZIFZGNASA-N 0 3 345.443 3.222 20 5 EGBDHN C[C@@H](NCCc1nc2c(s1)CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294965713 308276942 /nfs/dbraw/zinc/27/69/42/308276942.db2.gz ZDJBPHFKACHDAP-LLVKDONJSA-N 0 3 346.456 3.406 20 5 EGBDHN C[C@@H](CC(=O)N1CCCCCC1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296059809 308389434 /nfs/dbraw/zinc/38/94/34/308389434.db2.gz PGZZKZMQIJKDCW-GJZGRUSLSA-N 0 3 333.432 3.427 20 5 EGBDHN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000413187013 309020278 /nfs/dbraw/zinc/02/02/78/309020278.db2.gz QPGWATUOHUEUHL-TZMCWYRMSA-N 0 3 330.363 3.204 20 5 EGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413238343 309023104 /nfs/dbraw/zinc/02/31/04/309023104.db2.gz SSTUPUXSNQVHKJ-LRDDRELGSA-N 0 3 330.363 3.061 20 5 EGBDHN CCNC(=O)C1(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000417338083 309202235 /nfs/dbraw/zinc/20/22/35/309202235.db2.gz YAXAIHBHPDVRBP-QGZVFWFLSA-N 0 3 345.443 3.258 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H](CO)Cc1ccc(F)cc1)CCC2 ZINC000447585608 309983364 /nfs/dbraw/zinc/98/33/64/309983364.db2.gz KWEMLCNLTBNKPO-LPHOPBHVSA-N 0 3 344.386 3.305 20 5 EGBDHN COc1cc(C[NH2+]C[C@@H]2CSc3ccccc32)c([N+](=O)[O-])cc1[O-] ZINC000449361866 310056772 /nfs/dbraw/zinc/05/67/72/310056772.db2.gz JWLNEUPHVZCUNA-GFCCVEGCSA-N 0 3 346.408 3.288 20 5 EGBDHN NC(=O)c1cccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449496871 310066784 /nfs/dbraw/zinc/06/67/84/310066784.db2.gz HWMXZFZMLDFXQF-QGZVFWFLSA-N 0 3 339.395 3.073 20 5 EGBDHN Cc1ccnc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450812685 310143754 /nfs/dbraw/zinc/14/37/54/310143754.db2.gz QPAZBFFVCYCEOE-OAHLLOKOSA-N 0 3 340.427 3.257 20 5 EGBDHN Cc1cc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450815611 310143785 /nfs/dbraw/zinc/14/37/85/310143785.db2.gz YVENEAKIDIHASQ-OAHLLOKOSA-N 0 3 340.427 3.257 20 5 EGBDHN C[C@H](Cc1cnccn1)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000453214389 310264526 /nfs/dbraw/zinc/26/45/26/310264526.db2.gz JRDRXQONRYYXPN-SNVBAGLBSA-N 0 3 340.305 3.124 20 5 EGBDHN Cc1nc(N(CCN(C)C)Cc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000471748062 310745413 /nfs/dbraw/zinc/74/54/13/310745413.db2.gz JDONIPMLPSEOHW-UHFFFAOYSA-N 0 3 332.379 3.006 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCCO[C@H]1CC(C)C ZINC000481723420 310920151 /nfs/dbraw/zinc/92/01/51/310920151.db2.gz AZYKMDGOIMAPPY-ZBFHGGJFSA-N 0 3 349.431 3.025 20 5 EGBDHN CCCC[C@H]1CCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000492846900 311298561 /nfs/dbraw/zinc/29/85/61/311298561.db2.gz KNNXMUPNCFIAQH-WMLDXEAASA-N 0 3 345.443 3.432 20 5 EGBDHN COc1ccc2c(c1)OC[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000504387618 312005096 /nfs/dbraw/zinc/00/50/96/312005096.db2.gz KOIVCYZAORAFMJ-DOMZBBRYSA-N 0 3 328.368 3.258 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](CO)Cc1ccco1)CCC2 ZINC000520332986 312501241 /nfs/dbraw/zinc/50/12/41/312501241.db2.gz WNGOOULJFZHMQZ-UGSOOPFHSA-N 0 3 330.384 3.006 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1cccc(-n2cncn2)c1 ZINC000531712042 313704458 /nfs/dbraw/zinc/70/44/58/313704458.db2.gz DFENURQJHPTINC-AWEZNQCLSA-N 0 3 337.383 3.335 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](CC(C)C)N1CCOCC1 ZINC000531989187 313740259 /nfs/dbraw/zinc/74/02/59/313740259.db2.gz IFHPKGGMKIJLCZ-SJLPKXTDSA-N 0 3 349.475 3.301 20 5 EGBDHN CC(C)(C)C1=CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000535375595 314043102 /nfs/dbraw/zinc/04/31/02/314043102.db2.gz PLPAHPFQTQNDTA-INIZCTEOSA-N 0 3 334.416 3.013 20 5 EGBDHN COC[C@H](Cc1ccccc1)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000539513311 314318698 /nfs/dbraw/zinc/31/86/98/314318698.db2.gz WJELSWOHROIMJJ-DBEXCURXSA-N 0 3 326.396 3.455 20 5 EGBDHN Cc1cccc(CCCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000539790948 314337947 /nfs/dbraw/zinc/33/79/47/314337947.db2.gz XYFSLZWURBHPFG-UHFFFAOYSA-N 0 3 340.427 3.053 20 5 EGBDHN COc1ccc([C@H](C)NCCOc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000540329920 314374399 /nfs/dbraw/zinc/37/43/99/314374399.db2.gz NGVXPKQRVBWKKN-ZDUSSCGKSA-N 0 3 346.383 3.342 20 5 EGBDHN C[C@@H](C(=O)NCc1cccc(CN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000562390280 315827582 /nfs/dbraw/zinc/82/75/82/315827582.db2.gz OICJUBJKANKMRO-CQSZACIVSA-N 0 3 341.411 3.076 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000562477678 315839391 /nfs/dbraw/zinc/83/93/91/315839391.db2.gz NFQSMPZVTFZHQX-CXAGYDPISA-N 0 3 345.443 3.201 20 5 EGBDHN CCOc1cccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000564845524 316216251 /nfs/dbraw/zinc/21/62/51/316216251.db2.gz ULTJBDSAHSVGQN-UHFFFAOYSA-N 0 3 343.383 3.112 20 5 EGBDHN C[C@H](NC[C@@H]1CN(c2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000566417407 316471750 /nfs/dbraw/zinc/47/17/50/316471750.db2.gz XTMFUQOACJPGJR-HNAYVOBHSA-N 0 3 341.411 3.151 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCN1CCc2sccc2C1 ZINC000566475985 316483367 /nfs/dbraw/zinc/48/33/67/316483367.db2.gz RNZJNXADCMFFRH-INIZCTEOSA-N 0 3 343.452 3.292 20 5 EGBDHN Cc1cccc(NCCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000570126582 317010814 /nfs/dbraw/zinc/01/08/14/317010814.db2.gz GOCYKBWUYDYOOH-KRWDZBQOSA-N 0 3 326.400 3.377 20 5 EGBDHN Cc1cccc(NCCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000570126583 317010845 /nfs/dbraw/zinc/01/08/45/317010845.db2.gz GOCYKBWUYDYOOH-QGZVFWFLSA-N 0 3 326.400 3.377 20 5 EGBDHN CCCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(C)(C)O ZINC000353416555 456687255 /nfs/dbraw/zinc/68/72/55/456687255.db2.gz OAOZEGSQGQXULE-UHFFFAOYSA-N 0 3 332.347 3.179 20 5 EGBDHN CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000016445627 453607629 /nfs/dbraw/zinc/60/76/29/453607629.db2.gz PHPGDOIHKJLZES-UHFFFAOYSA-N 0 3 325.796 3.451 20 5 EGBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000029177297 453827064 /nfs/dbraw/zinc/82/70/64/453827064.db2.gz FNTKIJJBXOGMMK-SFHVURJKSA-N 0 3 339.395 3.162 20 5 EGBDHN CCOc1ccc(NC(=O)CN(CC)C2CCCC2)c([N+](=O)[O-])c1 ZINC000052908429 453849104 /nfs/dbraw/zinc/84/91/04/453849104.db2.gz NDEBIIAFGBOQON-UHFFFAOYSA-N 0 3 335.404 3.197 20 5 EGBDHN Cc1cc(NC2CCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000081275214 453854936 /nfs/dbraw/zinc/85/49/36/453854936.db2.gz ALYRLKARJYYVBL-UHFFFAOYSA-N 0 3 326.400 3.375 20 5 EGBDHN C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000032731411 453886700 /nfs/dbraw/zinc/88/67/00/453886700.db2.gz COIUYMZYKBZORH-RYUDHWBXSA-N 0 3 339.823 3.241 20 5 EGBDHN C[C@@H](CNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N(C)C ZINC000033094016 453904825 /nfs/dbraw/zinc/90/48/25/453904825.db2.gz KNRMHOAUNRLACQ-ZDUSSCGKSA-N 0 3 342.399 3.018 20 5 EGBDHN Cc1ccc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000067203686 453911333 /nfs/dbraw/zinc/91/13/33/453911333.db2.gz DTCUYQABCGSXEM-MRXNPFEDSA-N 0 3 339.395 3.036 20 5 EGBDHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000054226552 453917494 /nfs/dbraw/zinc/91/74/94/453917494.db2.gz BTPOSXAGZKPHKR-PBHICJAKSA-N 0 3 339.395 3.160 20 5 EGBDHN CN(CCOc1ccccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000075899701 453937333 /nfs/dbraw/zinc/93/73/33/453937333.db2.gz UADJQKNYLZYURF-MRXNPFEDSA-N 0 3 330.384 3.029 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2ccccc2)c1 ZINC000054993496 453955521 /nfs/dbraw/zinc/95/55/21/453955521.db2.gz RGLZSROSVYYYIG-HKUYNNGSSA-N 0 3 342.395 3.172 20 5 EGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(C)C)N(C)C)c1 ZINC000042586116 454014400 /nfs/dbraw/zinc/01/44/00/454014400.db2.gz NAHWWVRJFWTHGY-GFCCVEGCSA-N 0 3 339.461 3.023 20 5 EGBDHN Cc1ccc(NC(=O)NCC(C)(C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000043148443 454045498 /nfs/dbraw/zinc/04/54/98/454045498.db2.gz IOZVSZSKQFUXHX-UHFFFAOYSA-N 0 3 334.420 3.289 20 5 EGBDHN CN(C)Cc1ccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1 ZINC000076989187 454057272 /nfs/dbraw/zinc/05/72/72/454057272.db2.gz ACGQMTSAEYPADH-UHFFFAOYSA-N 0 3 347.802 3.240 20 5 EGBDHN Cc1c(NC(=O)N(CCN(C)C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000088336380 454099431 /nfs/dbraw/zinc/09/94/31/454099431.db2.gz CUXSZJGMVSBHEK-UHFFFAOYSA-N 0 3 346.387 3.092 20 5 EGBDHN Cc1cn2c(CNCCc3ccc([N+](=O)[O-])cc3)c(C)nc2s1 ZINC000058092857 454163680 /nfs/dbraw/zinc/16/36/80/454163680.db2.gz NUJOQOHEDLDVGU-UHFFFAOYSA-N 0 3 330.413 3.253 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCCC1(C)C ZINC000119827301 454224898 /nfs/dbraw/zinc/22/48/98/454224898.db2.gz KDFAJHGNDFKHNP-OAHLLOKOSA-N 0 3 335.404 3.100 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000078689297 454300204 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CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(C1CC1)C1CC1 ZINC000050988809 454604077 /nfs/dbraw/zinc/60/40/77/454604077.db2.gz PJYOOOOLWYSLLH-UHFFFAOYSA-N 0 3 328.372 3.265 20 5 EGBDHN O=[N+]([O-])c1c2cccnc2ccc1N1CCN(C2CCCC2)CC1 ZINC000051822842 454638944 /nfs/dbraw/zinc/63/89/44/454638944.db2.gz LHZCBOOLYFJMDD-UHFFFAOYSA-N 0 3 326.400 3.208 20 5 EGBDHN CN(CCCNCc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000105436040 454639530 /nfs/dbraw/zinc/63/95/30/454639530.db2.gz RPQXVQPXQKEYKI-UHFFFAOYSA-N 0 3 329.422 3.003 20 5 EGBDHN Cc1cccc(OC[C@@H](O)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000152886741 454737161 /nfs/dbraw/zinc/73/71/61/454737161.db2.gz IZBSVEHQQMMNSA-RDJZCZTQSA-N 0 3 344.411 3.302 20 5 EGBDHN C[C@@H](O)[C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000136844931 454758700 /nfs/dbraw/zinc/75/87/00/454758700.db2.gz IZVBJMLNHMWISC-UKRRQHHQSA-N 0 3 330.384 3.448 20 5 EGBDHN Cc1cc(C(=O)Nc2cc(CN(C)C)ccc2C)c(N)c([N+](=O)[O-])c1 ZINC000177067151 454818761 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CCC(CC)N(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000165332762 454899115 /nfs/dbraw/zinc/89/91/15/454899115.db2.gz YEPDGTDHIDRGEU-UHFFFAOYSA-N 0 3 335.404 3.195 20 5 EGBDHN C[C@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000151062089 454932339 /nfs/dbraw/zinc/93/23/39/454932339.db2.gz DMBWARSISKHDJT-YOEHRIQHSA-N 0 3 345.443 3.427 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1NC1CCN(CCc2ccccc2)CC1 ZINC000170981897 455010360 /nfs/dbraw/zinc/01/03/60/455010360.db2.gz NVVGLOQPSRSJJG-UHFFFAOYSA-N 0 3 340.427 3.417 20 5 EGBDHN CCOc1ccc([C@@H](C)NC[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000152567304 455137895 /nfs/dbraw/zinc/13/78/95/455137895.db2.gz DVTHOMVMNFZWPR-CXAGYDPISA-N 0 3 330.384 3.378 20 5 EGBDHN C[C@@]1(O)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000180183527 455145823 /nfs/dbraw/zinc/14/58/23/455145823.db2.gz PNKLNSCUIMSCAQ-MRXNPFEDSA-N 0 3 336.775 3.465 20 5 EGBDHN C[C@H](NCCCOc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 ZINC000180416307 455165800 /nfs/dbraw/zinc/16/58/00/455165800.db2.gz CEYGJXCGNITTNT-ZDUSSCGKSA-N 0 3 344.367 3.443 20 5 EGBDHN Cc1ccc(OC[C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000180451818 455173015 /nfs/dbraw/zinc/17/30/15/455173015.db2.gz CSUNZHMZYPLCKZ-CRAIPNDOSA-N 0 3 344.411 3.302 20 5 EGBDHN CC(C)c1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000189491589 455206421 /nfs/dbraw/zinc/20/64/21/455206421.db2.gz IOUCLENNYLGPEG-MRXNPFEDSA-N 0 3 345.443 3.419 20 5 EGBDHN CCOc1ccc([C@@H](C)N[C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000158237122 455282474 /nfs/dbraw/zinc/28/24/74/455282474.db2.gz BWJMKZMEWPUIJR-RHSMWYFYSA-N 0 3 344.411 3.248 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000245443488 455301977 /nfs/dbraw/zinc/30/19/77/455301977.db2.gz IUBHXQGBCHRQGO-KEYYUXOJSA-N 0 3 331.416 3.495 20 5 EGBDHN C[C@H](CN(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183932827 455340353 /nfs/dbraw/zinc/34/03/53/455340353.db2.gz XTESCRUOVKROSA-GFCCVEGCSA-N 0 3 348.428 3.115 20 5 EGBDHN CCN1CCN(c2cccc(NCc3csc([N+](=O)[O-])c3)c2)CC1 ZINC000190968558 455416825 /nfs/dbraw/zinc/41/68/25/455416825.db2.gz IMAYVWZWZSYTJA-UHFFFAOYSA-N 0 3 346.456 3.410 20 5 EGBDHN Cc1c(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000247017194 455544595 /nfs/dbraw/zinc/54/45/95/455544595.db2.gz XTWNZOFQXXOLLZ-LPHOPBHVSA-N 0 3 329.444 3.352 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCCCCO)cs2)c1 ZINC000182692235 455569466 /nfs/dbraw/zinc/56/94/66/455569466.db2.gz BYTQVRZRTNKNCR-UHFFFAOYSA-N 0 3 335.429 3.361 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)c1ccc(F)cc1)CCC2 ZINC000192637315 455658932 /nfs/dbraw/zinc/65/89/32/455658932.db2.gz BBMOUNRPOLVFEP-QZTJIDSGSA-N 0 3 330.359 3.435 20 5 EGBDHN COc1cccc([C@@H](O)CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192852891 455707560 /nfs/dbraw/zinc/70/75/60/455707560.db2.gz VQUYXKDBZIDICN-OALUTQOASA-N 0 3 342.395 3.304 20 5 EGBDHN CC[C@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccccc1 ZINC000271639807 455708052 /nfs/dbraw/zinc/70/80/52/455708052.db2.gz HDVVHWCMGRZAMS-HNNXBMFYSA-N 0 3 343.383 3.283 20 5 EGBDHN CC(C)N1CCN(CCCSc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000193514003 455762374 /nfs/dbraw/zinc/76/23/74/455762374.db2.gz UCENNTGHVLYHNL-UHFFFAOYSA-N 0 3 341.452 3.242 20 5 EGBDHN C[C@H](NCC[C@@](C)(O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285325856 455824072 /nfs/dbraw/zinc/82/40/72/455824072.db2.gz UABMCNFQOHHBDT-SCLBCKFNSA-N 0 3 329.400 3.125 20 5 EGBDHN CC(C)[C@H](O)C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272106015 455848404 /nfs/dbraw/zinc/84/84/04/455848404.db2.gz WRPRSUPALRBKRN-AWEZNQCLSA-N 0 3 344.358 3.083 20 5 EGBDHN CCS[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285697846 455898783 /nfs/dbraw/zinc/89/87/83/455898783.db2.gz COHGFVDZSDWASF-TUKIKUTGSA-N 0 3 337.445 3.186 20 5 EGBDHN COc1cc(NC[C@H]2NCCc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC000261606326 455911374 /nfs/dbraw/zinc/91/13/74/455911374.db2.gz CUHCECJWHHYKHM-OAHLLOKOSA-N 0 3 331.347 3.041 20 5 EGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCN(C2CC2)CC1 ZINC000195377258 455953070 /nfs/dbraw/zinc/95/30/70/455953070.db2.gz XEEOAEFKWDYYKP-UHFFFAOYSA-N 0 3 345.443 3.206 20 5 EGBDHN COC[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)OC ZINC000272684734 456038524 /nfs/dbraw/zinc/03/85/24/456038524.db2.gz NYDYRAQBJXBPME-AWEZNQCLSA-N 0 3 336.413 3.074 20 5 EGBDHN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCOC(C)(C)C1 ZINC000289989954 456207358 /nfs/dbraw/zinc/20/73/58/456207358.db2.gz YHZBIDCPNYZTNG-OAHLLOKOSA-N 0 3 349.431 3.121 20 5 EGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H]1CN1CCCC1 ZINC000263764051 456215836 /nfs/dbraw/zinc/21/58/36/456215836.db2.gz DDGNCLDHWQPDJR-OAHLLOKOSA-N 0 3 343.383 3.041 20 5 EGBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000302180842 456308139 /nfs/dbraw/zinc/30/81/39/456308139.db2.gz ZLKDXQDKNLDOIY-INIZCTEOSA-N 0 3 326.400 3.091 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)n1 ZINC000336703966 456309008 /nfs/dbraw/zinc/30/90/08/456309008.db2.gz LSAIKVXXTQFRIF-GDBMZVCRSA-N 0 3 326.400 3.373 20 5 EGBDHN CC(C)c1ccc(C(=O)N[C@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000276125925 456394141 /nfs/dbraw/zinc/39/41/41/456394141.db2.gz NTFMJUPHARPVCR-CYBMUJFWSA-N 0 3 331.416 3.098 20 5 EGBDHN CCC(CC)CN(CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000303666462 456477048 /nfs/dbraw/zinc/47/70/48/456477048.db2.gz XROIHVBUCONRMP-UHFFFAOYSA-N 0 3 333.432 3.242 20 5 EGBDHN C[C@@H](NCc1ccccc1Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000337807528 456559761 /nfs/dbraw/zinc/55/97/61/456559761.db2.gz IPYHDDAQMYSYGW-CQSZACIVSA-N 0 3 337.383 3.085 20 5 EGBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@@H](C(F)(F)F)C2)c(Cl)c1 ZINC000348310911 456613164 /nfs/dbraw/zinc/61/31/64/456613164.db2.gz SZWWVVVEZJGDOH-BXKDBHETSA-N 0 3 338.713 3.448 20 5 EGBDHN C[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N(C)C1CC1 ZINC000291583980 456686294 /nfs/dbraw/zinc/68/62/94/456686294.db2.gz VEKVCCRKDIKFDG-QMMMGPOBSA-N 0 3 346.214 3.114 20 5 EGBDHN C[C@H](c1cccc(O)c1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283363939 456765750 /nfs/dbraw/zinc/76/57/50/456765750.db2.gz RTTSGACYLXTGCQ-CYBMUJFWSA-N 0 3 343.383 3.322 20 5 EGBDHN CN(C)[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1F)c1ccc(F)cc1 ZINC000348722639 456829923 /nfs/dbraw/zinc/82/99/23/456829923.db2.gz WMVZSEQYFKZTMY-AWEZNQCLSA-N 0 3 336.342 3.170 20 5 EGBDHN COCCOc1ccccc1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338953571 456873600 /nfs/dbraw/zinc/87/36/00/456873600.db2.gz FXFZFRLHZNFORS-UHFFFAOYSA-N 0 3 344.411 3.295 20 5 EGBDHN C[C@H](NCc1ccc(C[S@@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000353809729 456916901 /nfs/dbraw/zinc/91/69/01/456916901.db2.gz BUCVFTFXAFGTMO-ZAMGYDSWSA-N 0 3 332.425 3.324 20 5 EGBDHN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCCC[C@H]1O ZINC000339100220 456940511 /nfs/dbraw/zinc/94/05/11/456940511.db2.gz WJXIPEZNFNAIOZ-ZIAGYGMSSA-N 0 3 332.322 3.349 20 5 EGBDHN CCC[C@H](NC[C@H]1CN(CC(C)C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000359517174 457091356 /nfs/dbraw/zinc/09/13/56/457091356.db2.gz MXVWVLOFACGGOP-OALUTQOASA-N 0 3 349.475 3.382 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1N(CCN1CCCCCC1)C1CCC1 ZINC000359980677 457184413 /nfs/dbraw/zinc/18/44/13/457184413.db2.gz FPQOCYNIOCCVPL-UHFFFAOYSA-N 0 3 349.479 3.355 20 5 EGBDHN O=[N+]([O-])c1ccccc1OCCN1CCC(Cc2cccnc2)CC1 ZINC000357010814 457274139 /nfs/dbraw/zinc/27/41/39/457274139.db2.gz MQHDENZOVRVOQM-UHFFFAOYSA-N 0 3 341.411 3.323 20 5 EGBDHN CC[C@@H](c1ccccc1)[C@H]1CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000363587694 457373141 /nfs/dbraw/zinc/37/31/41/457373141.db2.gz SYTZBKKUJZHECX-JKSUJKDBSA-N 0 3 328.416 3.487 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCCN3CC=CCC3)o2)c1 ZINC000355553559 457388011 /nfs/dbraw/zinc/38/80/11/457388011.db2.gz WFIDPROJXNZQPJ-UHFFFAOYSA-N 0 3 327.384 3.206 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(CC(=O)N(C)C)CC1 ZINC000347384980 457394005 /nfs/dbraw/zinc/39/40/05/457394005.db2.gz ZYZZCNMXFKWKRC-RVDMUPIBSA-N 0 3 345.443 3.188 20 5 EGBDHN CN(CCC(=O)Nc1ccc(F)cc1)CCc1ccccc1[N+](=O)[O-] ZINC000352562708 457467423 /nfs/dbraw/zinc/46/74/23/457467423.db2.gz LQULMZPJTIOEMA-UHFFFAOYSA-N 0 3 345.374 3.237 20 5 EGBDHN CN(C[C@@H](O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])C1CC1 ZINC000357457092 457540537 /nfs/dbraw/zinc/54/05/37/457540537.db2.gz VERABISDZMPGFU-QGZVFWFLSA-N 0 3 342.395 3.096 20 5 EGBDHN Cc1ccc(CNc2cccc(CN3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000361082921 457573153 /nfs/dbraw/zinc/57/31/53/457573153.db2.gz OQBUOCQJQSTFMH-GOSISDBHSA-N 0 3 341.411 3.082 20 5 EGBDHN CCC[C@H](NCCN1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000361184066 457635189 /nfs/dbraw/zinc/63/51/89/457635189.db2.gz JWCFGBODXZGGOE-KRWDZBQOSA-N 0 3 335.448 3.136 20 5 EGBDHN CC1(C)CCCN(CCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000443968723 457831061 /nfs/dbraw/zinc/83/10/61/457831061.db2.gz XBJBQOXAFQUSPI-UHFFFAOYSA-N 0 3 346.431 3.013 20 5 EGBDHN CCCCN(C)CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426469625 457836938 /nfs/dbraw/zinc/83/69/38/457836938.db2.gz NKCVFSMJVQXRLE-UHFFFAOYSA-N 0 3 348.447 3.001 20 5 EGBDHN CSc1cccc(C(=O)NC[C@@H]2CCCCN2C2CC2)c1[N+](=O)[O-] ZINC000434426122 457993696 /nfs/dbraw/zinc/99/36/96/457993696.db2.gz SCFJJBPDWRTLQE-ZDUSSCGKSA-N 0 3 349.456 3.063 20 5 EGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](N2CCCC2=O)CC1 ZINC000412060096 458074159 /nfs/dbraw/zinc/07/41/59/458074159.db2.gz YZGXAAFZHDERBG-GJZGRUSLSA-N 0 3 331.416 3.133 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC12CCN(C)CC2 ZINC000362350100 458121764 /nfs/dbraw/zinc/12/17/64/458121764.db2.gz FFPBKZSTBKHZJI-UHFFFAOYSA-N 0 3 346.431 3.304 20 5 EGBDHN Cc1nn(C)cc1[C@H]1CCCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000371942801 458132671 /nfs/dbraw/zinc/13/26/71/458132671.db2.gz HTHJCNROHBRMRY-GOSISDBHSA-N 0 3 344.415 3.243 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN1CCCC(C)(C)C1 ZINC000446262200 458168091 /nfs/dbraw/zinc/16/80/91/458168091.db2.gz JTLTUGYTOXGBLB-UHFFFAOYSA-N 0 3 348.447 3.455 20 5 EGBDHN C[C@H](NC(=O)NCCN1CCCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458888560 458205916 /nfs/dbraw/zinc/20/59/16/458205916.db2.gz MEHUYUKIZYFAOZ-AWEZNQCLSA-N 0 3 348.447 3.077 20 5 EGBDHN CN1CCCC(C)(C)[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000447808649 458345614 /nfs/dbraw/zinc/34/56/14/458345614.db2.gz XVSKBTNKCPEMND-MRXNPFEDSA-N 0 3 346.431 3.012 20 5 EGBDHN Cc1cccc2c1CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000429573936 458347570 /nfs/dbraw/zinc/34/75/70/458347570.db2.gz OJGAXKIGIFSHCQ-UHFFFAOYSA-N 0 3 339.395 3.290 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000448065703 458385860 /nfs/dbraw/zinc/38/58/60/458385860.db2.gz XQAACROFKRUSAX-MRXNPFEDSA-N 0 3 348.447 3.454 20 5 EGBDHN CC(C)O[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000459634588 458432308 /nfs/dbraw/zinc/43/23/08/458432308.db2.gz OKRBYPXQXSOANA-BJHJDKERSA-N 0 3 330.331 3.242 20 5 EGBDHN CC(C)c1ccc(C(=O)NCc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000423589486 458460674 /nfs/dbraw/zinc/46/06/74/458460674.db2.gz ICADUVUFUZIKAK-UHFFFAOYSA-N 0 3 339.395 3.251 20 5 EGBDHN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000493990071 458612175 /nfs/dbraw/zinc/61/21/75/458612175.db2.gz XCGMPFQFNDCHIR-HIFRSBDPSA-N 0 3 349.431 3.330 20 5 EGBDHN Cc1cc(NC(=O)N2CCN(CCC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000473778079 458841957 /nfs/dbraw/zinc/84/19/57/458841957.db2.gz JLHRHRBWJOYSPM-UHFFFAOYSA-N 0 3 348.447 3.489 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000457097482 458865346 /nfs/dbraw/zinc/86/53/46/458865346.db2.gz RYBWCTQQOOSFQJ-OAHLLOKOSA-N 0 3 333.432 3.075 20 5 EGBDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000467052619 458948891 /nfs/dbraw/zinc/94/88/91/458948891.db2.gz ATKFXWNXJOTTFM-MLGOLLRUSA-N 0 3 345.443 3.105 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000475643775 458957057 /nfs/dbraw/zinc/95/70/57/458957057.db2.gz XRDLAMBTTCIFFD-DOMZBBRYSA-N 0 3 348.447 3.454 20 5 EGBDHN Cc1c([C@H](C)N[C@H]2CC[C@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000589949689 459056122 /nfs/dbraw/zinc/05/61/22/459056122.db2.gz HAXXIKPOLKBTDT-COPLHBTASA-N 0 3 332.322 3.400 20 5 EGBDHN C[C@H](c1ccccc1)[C@@H](CO)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498237 459061512 /nfs/dbraw/zinc/06/15/12/459061512.db2.gz ICFHUSFKVKDNOB-FSPWUOQZSA-N 0 3 326.396 3.336 20 5 EGBDHN COc1ccc(-c2ccc(CN(C[C@@H](C)O)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000594616175 459117256 /nfs/dbraw/zinc/11/72/56/459117256.db2.gz TXQVTKSNKCKIGK-GFCCVEGCSA-N 0 3 346.383 3.209 20 5 EGBDHN CCN(CCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C1CC1 ZINC000578076094 459141583 /nfs/dbraw/zinc/14/15/83/459141583.db2.gz YVVBZGBKWUNQNP-AWEZNQCLSA-N 0 3 331.338 3.272 20 5 EGBDHN O=C(CCN[C@@H]1CCc2cc(F)ccc21)Nc1ccccc1[N+](=O)[O-] ZINC000558579881 459176431 /nfs/dbraw/zinc/17/64/31/459176431.db2.gz PTKIXHMPUDRNAK-OAHLLOKOSA-N 0 3 343.358 3.340 20 5 EGBDHN CCOc1ccc(NC(=O)CN(CC2CC2)C(C)C)c([N+](=O)[O-])c1 ZINC000533037105 459179366 /nfs/dbraw/zinc/17/93/66/459179366.db2.gz QBMHIYMACZZMRR-UHFFFAOYSA-N 0 3 335.404 3.052 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2csc(NC[C@H]3CCN(C4CC4)C3)n2)cc1 ZINC000590685396 459181632 /nfs/dbraw/zinc/18/16/32/459181632.db2.gz INJMGHODCJWINL-GFCCVEGCSA-N 0 3 344.440 3.036 20 5 EGBDHN CC(C)c1ccc(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961951 459194492 /nfs/dbraw/zinc/19/44/92/459194492.db2.gz BLBJLWYNNQMMHT-USGALAMMSA-N 0 3 338.473 3.498 20 5 EGBDHN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000533238757 459205039 /nfs/dbraw/zinc/20/50/39/459205039.db2.gz KDCCVIDTWZNLOQ-KCXAZCMYSA-N 0 3 331.416 3.094 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)Cc1c(C)noc1C ZINC000595007054 459213038 /nfs/dbraw/zinc/21/30/38/459213038.db2.gz FJTIHYBBNOCVSU-QWRGUYRKSA-N 0 3 333.388 3.490 20 5 EGBDHN C[S@](=O)[C@@H]1CCC[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595062219 459231536 /nfs/dbraw/zinc/23/15/36/459231536.db2.gz 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ZINC000789306109 1306137759 /nfs/dbraw/zinc/13/77/59/1306137759.db2.gz NKHXWZALHCPKGP-UHFFFAOYSA-N 0 3 335.448 3.312 20 5 EGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000791063783 1308919067 /nfs/dbraw/zinc/91/90/67/1308919067.db2.gz YCSJAVCVAAOJKL-CYBMUJFWSA-N 0 3 339.823 3.098 20 5 EGBDHN O=[N+]([O-])c1cn(CN(CC2CC2)CC2CCC2)nc1-c1ccncc1 ZINC000794712882 1309579506 /nfs/dbraw/zinc/57/95/06/1309579506.db2.gz DSEFBDWFMUZGAC-UHFFFAOYSA-N 0 3 341.415 3.323 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN[C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000857905688 1328620849 /nfs/dbraw/zinc/62/08/49/1328620849.db2.gz MTHNPHPWXJWCJT-CQSZACIVSA-N 0 3 333.775 3.299 20 5 EGBDHN C[C@@H]1C[C@@H](Nc2cc(Br)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000811811898 1318271867 /nfs/dbraw/zinc/27/18/67/1318271867.db2.gz HWQUGPDZEGUUNJ-MWLCHTKSSA-N 0 3 340.221 3.394 20 5 EGBDHN CSC1(CNc2ccc([N+](=O)[O-])cc2C(C)=O)CCN(C)CC1 ZINC000811853532 1318279540 /nfs/dbraw/zinc/27/95/40/1318279540.db2.gz DGIOGPKECSQTQC-UHFFFAOYSA-N 0 3 337.445 3.037 20 5 EGBDHN CC(COC(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1)[N+](=O)[O-] ZINC000813111468 1318499995 /nfs/dbraw/zinc/49/99/95/1318499995.db2.gz HZILEFDYLHOCRI-KBPBESRZSA-N 0 3 341.363 3.230 20 5 EGBDHN Cc1ccc(Oc2ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc2)cc1 ZINC000813104811 1318500555 /nfs/dbraw/zinc/50/05/55/1318500555.db2.gz RXSQFOVNYDVSQU-AWEZNQCLSA-N 0 3 345.351 3.375 20 5 EGBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1NC(=O)OC(C)(C)C ZINC000813108306 1318501114 /nfs/dbraw/zinc/50/11/14/1318501114.db2.gz XKAIFOYKJSPTIU-LLVKDONJSA-N 0 3 338.360 3.164 20 5 EGBDHN CC1(C)C(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)C1(C)C ZINC001021943633 1318739949 /nfs/dbraw/zinc/73/99/49/1318739949.db2.gz AGVMACFTZICYGQ-OKILXGFUSA-N 0 3 345.443 3.014 20 5 EGBDHN COc1ccc([C@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000858604942 1328807813 /nfs/dbraw/zinc/80/78/13/1328807813.db2.gz QMDJMGHVWPLSKY-ADLMAVQZSA-N 0 3 342.399 3.383 20 5 EGBDHN CCCCCCN(C)CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000817038240 1319263225 /nfs/dbraw/zinc/26/32/25/1319263225.db2.gz CGXKLGBSIHPYEJ-UHFFFAOYSA-N 0 3 335.448 3.458 20 5 EGBDHN CCC(C)(C)N1CCN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000824292123 1320245434 /nfs/dbraw/zinc/24/54/34/1320245434.db2.gz LUQBHIIPIVAFOX-IRXDYDNUSA-N 0 3 345.443 3.031 20 5 EGBDHN C[C@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000825595844 1320348571 /nfs/dbraw/zinc/34/85/71/1320348571.db2.gz TYZLPBFFKSEPMU-GFCCVEGCSA-N 0 3 339.823 3.098 20 5 EGBDHN CCN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000840238677 1321057209 /nfs/dbraw/zinc/05/72/09/1321057209.db2.gz HKTVYSFKULXFTA-UHFFFAOYSA-N 0 3 345.378 3.014 20 5 EGBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1NCCc2ccccc21 ZINC000841069089 1321212975 /nfs/dbraw/zinc/21/29/75/1321212975.db2.gz NHJPXGSYMUVLHD-INIZCTEOSA-N 0 3 331.803 3.225 20 5 EGBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC000843421504 1321516349 /nfs/dbraw/zinc/51/63/49/1321516349.db2.gz QNEAKNQGFXLRJL-AQDCRGGLSA-N 0 3 338.407 3.374 20 5 EGBDHN COC1CCC(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000845874273 1321748241 /nfs/dbraw/zinc/74/82/41/1321748241.db2.gz GTSWVHNNLUOOGA-ITDKRANNSA-N 0 3 339.363 3.280 20 5 EGBDHN CC(C)CO[C@H](C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873361 1321748278 /nfs/dbraw/zinc/74/82/78/1321748278.db2.gz CUHRMMVZZKWYDG-ZOWXZIJZSA-N 0 3 327.352 3.136 20 5 EGBDHN CO[C@H](CC(C)C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876442 1321748613 /nfs/dbraw/zinc/74/86/13/1321748613.db2.gz FORJXTOJYVLVGG-NILFDRSVSA-N 0 3 327.352 3.136 20 5 EGBDHN CC([C@H](OC(=O)COC1(C)CCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877331 1321749165 /nfs/dbraw/zinc/74/91/65/1321749165.db2.gz PBPHKCWPKIIEBE-NHYWBVRUSA-N 0 3 325.336 3.034 20 5 EGBDHN CC([C@H](OC(=O)c1coc(C2CC2)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845883775 1321751144 /nfs/dbraw/zinc/75/11/44/1321751144.db2.gz VXHXMZYNHCNLFT-OTYXRUKQSA-N 0 3 334.303 3.254 20 5 EGBDHN Cc1nn(C(C)C)cc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000847737447 1321898363 /nfs/dbraw/zinc/89/83/63/1321898363.db2.gz RKKNOHZEEKNFIW-MLGOLLRUSA-N 0 3 349.362 3.475 20 5 EGBDHN Cc1nn(C(C)C)cc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000847737445 1321898613 /nfs/dbraw/zinc/89/86/13/1321898613.db2.gz RKKNOHZEEKNFIW-BLLLJJGKSA-N 0 3 349.362 3.475 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CSCCS1 ZINC000850439256 1322249822 /nfs/dbraw/zinc/24/98/22/1322249822.db2.gz GSZFCFZTAQNFDG-JQWIXIFHSA-N 0 3 328.459 3.103 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)C[C@H](O)c1ccco1 ZINC000850443450 1322250235 /nfs/dbraw/zinc/25/02/35/1322250235.db2.gz SFZROOMXNPYBEZ-XUJVJEKNSA-N 0 3 334.372 3.359 20 5 EGBDHN C[C@@H](NC[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000850581495 1322272645 /nfs/dbraw/zinc/27/26/45/1322272645.db2.gz FSGXVLSEWGJIMN-RFAUZJTJSA-N 0 3 340.301 3.396 20 5 EGBDHN C[C@H]1CCC[C@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853489121 1325102313 /nfs/dbraw/zinc/10/23/13/1325102313.db2.gz GSEHAUJSHWIQGW-KBPBESRZSA-N 0 3 329.404 3.321 20 5 EGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861410510 1329416773 /nfs/dbraw/zinc/41/67/73/1329416773.db2.gz XTPODOHGUJLRKN-CYBMUJFWSA-N 0 3 339.823 3.098 20 5 EGBDHN CCCC(=O)N1CCC2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001035149074 1342960999 /nfs/dbraw/zinc/96/09/99/1342960999.db2.gz XUUSMTOTJNOFJN-UHFFFAOYSA-N 0 3 345.443 3.209 20 5 EGBDHN C[NH+](C)CCOc1cc(F)ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201230069 1369500021 /nfs/dbraw/zinc/50/00/21/1369500021.db2.gz WSFDAYXBTRDBAX-UHFFFAOYSA-N 0 3 335.335 3.124 20 5 EGBDHN Cc1n[nH]c(=O)c(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1C ZINC001117965948 1371114317 /nfs/dbraw/zinc/11/43/17/1371114317.db2.gz KOERTUJVGROQON-QGZVFWFLSA-N 0 3 342.399 3.265 20 5 EGBDHN CCCc1ccccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001131118430 1373645462 /nfs/dbraw/zinc/64/54/62/1373645462.db2.gz DYBUIVMCMQHNBA-UHFFFAOYSA-N 0 3 341.411 3.067 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1O[C@H]1CCCN(Cc2ccccc2)C1 ZINC001226762221 1375327443 /nfs/dbraw/zinc/32/74/43/1375327443.db2.gz QXHJPYKUBBTIOH-KRWDZBQOSA-N 0 3 327.384 3.342 20 5 EGBDHN Cc1noc([C@H]2CCN(Cc3ccc4ccc5cccnc5c4n3)C2)n1 ZINC001232226309 1376419396 /nfs/dbraw/zinc/41/93/96/1376419396.db2.gz UJAHNDGSVAWBNV-INIZCTEOSA-N 0 3 345.406 3.464 20 5 EGBDHN CC(C)Oc1nc(-n2c3ccccc3nc2[C@@H](C)N)ccc1[N+](=O)[O-] ZINC001155258836 1380429804 /nfs/dbraw/zinc/42/98/04/1380429804.db2.gz SKVWMSBFJCLDJS-LLVKDONJSA-N 0 3 341.371 3.136 20 5 EGBDHN CCCCC(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001163464689 1383057147 /nfs/dbraw/zinc/05/71/47/1383057147.db2.gz XHSZOMPTHLKNGE-UHFFFAOYSA-N 0 3 333.432 3.161 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@]23CNCCO3)c2ccccc21 ZINC001163650074 1383096247 /nfs/dbraw/zinc/09/62/47/1383096247.db2.gz JTHDJIDYVSDQOS-RBUKOAKNSA-N 0 3 341.411 3.461 20 5 EGBDHN COc1ccc(C[C@H](C)N2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC001170345464 1384296267 /nfs/dbraw/zinc/29/62/67/1384296267.db2.gz LATIZESUNDFNRL-XHDPSFHLSA-N 0 3 326.343 3.266 20 5 EGBDHN COc1ccc(C[C@@H](C)N2CCC(n3cccn3)CC2)c([N+](=O)[O-])c1 ZINC001170352834 1384298487 /nfs/dbraw/zinc/29/84/87/1384298487.db2.gz RIZVYFIWRPRFKV-CQSZACIVSA-N 0 3 344.415 3.068 20 5 EGBDHN C[C@H](Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CNCCO1 ZINC001170569059 1384343960 /nfs/dbraw/zinc/34/39/60/1384343960.db2.gz HWALHFRLLYSQJH-SCLBCKFNSA-N 0 3 327.384 3.051 20 5 EGBDHN Cc1ccc(C)c(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)c1 ZINC001171940509 1384689394 /nfs/dbraw/zinc/68/93/94/1384689394.db2.gz DSIVPUVVLHZFDN-UHFFFAOYSA-N 0 3 347.440 3.183 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2cc(C)ccn2)c1F ZINC001173175966 1384932032 /nfs/dbraw/zinc/93/20/32/1384932032.db2.gz WMCYJQQDNJUOLW-GFCCVEGCSA-N 0 3 333.363 3.167 20 5 EGBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(CN(C)C)ccc1C ZINC001319365640 1386082862 /nfs/dbraw/zinc/08/28/62/1386082862.db2.gz VOOCFZLXQWCPTO-UHFFFAOYSA-N 0 3 342.399 3.259 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@@H](CO)C2CC2)o1 ZINC001339108649 1389903899 /nfs/dbraw/zinc/90/38/99/1389903899.db2.gz BRNYAHFHYFGTQA-AWEZNQCLSA-N 0 3 336.775 3.369 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@@H](CO)CCF)o1 ZINC001332611779 1390140712 /nfs/dbraw/zinc/14/07/12/1390140712.db2.gz XIRSCIAZAOPOES-LLVKDONJSA-N 0 3 342.754 3.318 20 5 EGBDHN COc1c([O-])ccc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001333743797 1390390036 /nfs/dbraw/zinc/39/00/36/1390390036.db2.gz YKSXJLQNQNEQAU-CABCVRRESA-N 0 3 328.368 3.030 20 5 EGBDHN COc1c(O)ccc(CN[C@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001333743797 1390390039 /nfs/dbraw/zinc/39/00/39/1390390039.db2.gz YKSXJLQNQNEQAU-CABCVRRESA-N 0 3 328.368 3.030 20 5 EGBDHN C[C@H](NCCC(=O)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000178291676 232127118 /nfs/dbraw/zinc/12/71/18/232127118.db2.gz FBMHDYJYFICQIE-LBPRGKRZSA-N 0 3 347.440 3.452 20 5 EGBDHN Cc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000072726253 216299622 /nfs/dbraw/zinc/29/96/22/216299622.db2.gz HFWIZUUYSJYTAX-KRWDZBQOSA-N 0 3 329.400 3.423 20 5 EGBDHN C[C@H](O)[C@@](C)(CNCc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000191709234 239258114 /nfs/dbraw/zinc/25/81/14/239258114.db2.gz DWNBHCZDPGTIFG-SUMWQHHRSA-N 0 3 334.441 3.376 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C[C@@H]1CCOC1)C1CC1 ZINC000264171050 246135186 /nfs/dbraw/zinc/13/51/86/246135186.db2.gz HWMWDLNMQGXXCV-AWEZNQCLSA-N 0 3 334.416 3.383 20 5 EGBDHN COC(=O)C[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000354603079 141313987 /nfs/dbraw/zinc/31/39/87/141313987.db2.gz NIXUWBNOLNFGJM-PGUXBMHVSA-N 0 3 340.807 3.316 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2noc(CN(CC3CC3)C3CCC3)n2)c1 ZINC000361587094 144332591 /nfs/dbraw/zinc/33/25/91/144332591.db2.gz UQJQCHWWTPKGKQ-UHFFFAOYSA-N 0 3 328.372 3.409 20 5 EGBDHN CSc1cccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1[N+](=O)[O-] ZINC000363769804 144364515 /nfs/dbraw/zinc/36/45/15/144364515.db2.gz RBQGIMBWQLCUQL-CYBMUJFWSA-N 0 3 349.456 3.017 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(CCSCc3ccccc3)CC2)n1 ZINC000363963584 144380290 /nfs/dbraw/zinc/38/02/90/144380290.db2.gz DEWDZGBMDCVJKB-UHFFFAOYSA-N 0 3 346.456 3.362 20 5 EGBDHN CN(C)CC1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000341486190 155317747 /nfs/dbraw/zinc/31/77/47/155317747.db2.gz MRCJJCMZYVNTEJ-UHFFFAOYSA-N 0 3 329.400 3.429 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)Cc1ccccc1)CCC2 ZINC000192833799 153262224 /nfs/dbraw/zinc/26/22/24/153262224.db2.gz NURZLUYMCNCSDE-PKOBYXMFSA-N 0 3 326.396 3.165 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000301640378 154024557 /nfs/dbraw/zinc/02/45/57/154024557.db2.gz QZCYLUVGLVFKBO-MRXNPFEDSA-N 0 3 326.400 3.375 20 5 EGBDHN COc1cc(CN[C@H]2CCCC[C@H]2OC(F)F)c([N+](=O)[O-])cc1F ZINC000337394228 154329883 /nfs/dbraw/zinc/32/98/83/154329883.db2.gz IHMWUXBKOGKVFB-WCQYABFASA-N 0 3 348.321 3.383 20 5 EGBDHN COc1cc(CN[C@@H]2CCCC[C@@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000337398621 154332735 /nfs/dbraw/zinc/33/27/35/154332735.db2.gz JOUHYZMMBSYMSC-YPMHNXCESA-N 0 3 330.331 3.243 20 5 EGBDHN CC(C)(O)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000111385883 162154786 /nfs/dbraw/zinc/15/47/86/162154786.db2.gz KGAMGGLJZNHNGT-UHFFFAOYSA-N 0 3 334.347 3.387 20 5 EGBDHN O=[N+]([O-])c1ccccc1CCNCc1cnc(C(F)(F)F)s1 ZINC000344096911 164102159 /nfs/dbraw/zinc/10/21/59/164102159.db2.gz UYTLBGMXDOYCHK-UHFFFAOYSA-N 0 3 331.319 3.402 20 5 EGBDHN COc1cc(C[NH2+]C[C@@H](SC)C(C)(C)C)c([N+](=O)[O-])cc1[O-] ZINC000344353147 164162447 /nfs/dbraw/zinc/16/24/47/164162447.db2.gz JJVDJOAEIBFTQS-CQSZACIVSA-N 0 3 328.434 3.176 20 5 EGBDHN CN(CCc1cnccn1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000355374393 166178286 /nfs/dbraw/zinc/17/82/86/166178286.db2.gz YRHWFYWEJWSSSP-UHFFFAOYSA-N 0 3 338.367 3.319 20 5 EGBDHN CCOc1cc(CN2CC[C@@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000365191166 168032710 /nfs/dbraw/zinc/03/27/10/168032710.db2.gz QVSKRGAAKZBEQJ-MRXNPFEDSA-N 0 3 334.416 3.242 20 5 EGBDHN Cc1c([C@H](C)NCC2(C(=O)N(C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000165107324 226110556 /nfs/dbraw/zinc/11/05/56/226110556.db2.gz LEDUTSVDUPROJD-AWEZNQCLSA-N 0 3 333.432 3.202 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)c2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000177866776 265282719 /nfs/dbraw/zinc/28/27/19/265282719.db2.gz CBWJWQBRSPXGOK-AWEZNQCLSA-N 0 3 341.411 3.456 20 5 EGBDHN C[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CN1C1CC1 ZINC000278686563 275265658 /nfs/dbraw/zinc/26/56/58/275265658.db2.gz IMERNNJLMZIOBQ-ZWNOBZJWSA-N 0 3 343.349 3.328 20 5 EGBDHN C[C@H](CO[C@H]1CCOC1)N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279124594 275305845 /nfs/dbraw/zinc/30/58/45/275305845.db2.gz QHQVDELHQASHOD-IFIJOSMWSA-N 0 3 334.416 3.101 20 5 EGBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000292275224 276761089 /nfs/dbraw/zinc/76/10/89/276761089.db2.gz BJSZAOLUAYFRDQ-PXAZEXFGSA-N 0 3 348.424 3.327 20 5 EGBDHN CS[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000349219493 278168001 /nfs/dbraw/zinc/16/80/01/278168001.db2.gz VZAFIWSJXYNWRS-GJZGRUSLSA-N 0 3 341.864 3.264 20 5 EGBDHN Cc1ccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)nc1C ZINC000414161586 309064075 /nfs/dbraw/zinc/06/40/75/309064075.db2.gz FRWAANCTQDLPCF-JKSUJKDBSA-N 0 3 329.404 3.077 20 5 EGBDHN C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC[C@H]21 ZINC000248409535 308002311 /nfs/dbraw/zinc/00/23/11/308002311.db2.gz CQWZDYFXDOFUIX-XOKHGSTOSA-N 0 3 331.416 3.068 20 5 EGBDHN CC[C@@H](C[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-])CC(F)(F)F ZINC000414515631 309085854 /nfs/dbraw/zinc/08/58/54/309085854.db2.gz MLZSMBGFPDELLM-SECBINFHSA-N 0 3 336.310 3.377 20 5 EGBDHN C[C@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000294678556 308244955 /nfs/dbraw/zinc/24/49/55/308244955.db2.gz IBKKLHROYACTRM-CTRJTCCGSA-N 0 3 347.440 3.326 20 5 EGBDHN CC(C)(C[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000294909237 308270470 /nfs/dbraw/zinc/27/04/70/308270470.db2.gz XXXCRILBWDBRBC-PPYMECGQSA-N 0 3 345.443 3.222 20 5 EGBDHN COc1cc(CNC[C@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000299667378 308683687 /nfs/dbraw/zinc/68/36/87/308683687.db2.gz XQHYPMJSSAPDAQ-VHSXEESVSA-N 0 3 348.321 3.290 20 5 EGBDHN CC(C)(C)Oc1cc(N2CC[C@@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000301891293 308720332 /nfs/dbraw/zinc/72/03/32/308720332.db2.gz LYHOQFBYYSQUDV-OAHLLOKOSA-N 0 3 331.416 3.223 20 5 EGBDHN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000413187012 309020333 /nfs/dbraw/zinc/02/03/33/309020333.db2.gz QPGWATUOHUEUHL-OCCSQVGLSA-N 0 3 330.363 3.204 20 5 EGBDHN O=[N+]([O-])c1cnc(NC2CCN(C3CCC3)CC2)c(C(F)(F)F)c1 ZINC000413325181 309026798 /nfs/dbraw/zinc/02/67/98/309026798.db2.gz UMTYXUUQLVRHNE-UHFFFAOYSA-N 0 3 344.337 3.437 20 5 EGBDHN C[C@H]1CN(Cc2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413330229 309027171 /nfs/dbraw/zinc/02/71/71/309027171.db2.gz ZYMKQYOVVGZSST-AWEZNQCLSA-N 0 3 344.390 3.087 20 5 EGBDHN COc1ncc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000449460626 310063738 /nfs/dbraw/zinc/06/37/38/310063738.db2.gz OAFNBYBZUNFJGN-LLVKDONJSA-N 0 3 335.791 3.373 20 5 EGBDHN Cc1cc(C)c(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000449733763 310083116 /nfs/dbraw/zinc/08/31/16/310083116.db2.gz JRQCCQQHKFEPOP-CQSZACIVSA-N 0 3 342.399 3.114 20 5 EGBDHN COc1cc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c([N+](=O)[O-])cc1F ZINC000451474837 310180248 /nfs/dbraw/zinc/18/02/48/310180248.db2.gz BMGBXGLVTRGKRT-XZJROXQQSA-N 0 3 338.379 3.036 20 5 EGBDHN O=[N+]([O-])c1ccc([C@@H]2CCCN(CCO[C@@H]3CCCCO3)C2)cc1 ZINC000451551733 310185727 /nfs/dbraw/zinc/18/57/27/310185727.db2.gz UWUGJXZGIXDZNI-SJLPKXTDSA-N 0 3 334.416 3.317 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000452073758 310210482 /nfs/dbraw/zinc/21/04/82/310210482.db2.gz VYGDQKMYKFZCBP-HZSPNIEDSA-N 0 3 349.431 3.346 20 5 EGBDHN CC(C)CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000453620665 310285166 /nfs/dbraw/zinc/28/51/66/310285166.db2.gz MDZQKHQFODYQNP-SOFGYWHQSA-N 0 3 328.416 3.500 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1CCO[C@@H]1c1cccnc1 ZINC000486889786 311001367 /nfs/dbraw/zinc/00/13/67/311001367.db2.gz AMWBGFZZBJIYQS-BYVBVCRGSA-N 0 3 325.368 3.123 20 5 EGBDHN Cc1cc(N2CCN(C)[C@H](C(C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000487082247 311010115 /nfs/dbraw/zinc/01/01/15/311010115.db2.gz GFGBQUFAGBWKJB-KRWDZBQOSA-N 0 3 328.416 3.228 20 5 EGBDHN CN(C)Cc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000487138676 311012033 /nfs/dbraw/zinc/01/20/33/311012033.db2.gz PDQAPBBOANATSI-UHFFFAOYSA-N 0 3 347.802 3.240 20 5 EGBDHN CCCC[C@H]1CCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000492846298 311298280 /nfs/dbraw/zinc/29/82/80/311298280.db2.gz IADBTBBDOUXIJM-WMLDXEAASA-N 0 3 345.443 3.432 20 5 EGBDHN Cc1cscc1CN[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000494489477 311483066 /nfs/dbraw/zinc/48/30/66/311483066.db2.gz AUVPQHPXXQELQY-GFCCVEGCSA-N 0 3 333.413 3.472 20 5 EGBDHN CCOC(=O)C(C)(C)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000510106486 312132689 /nfs/dbraw/zinc/13/26/89/312132689.db2.gz SKUOEBMUVHGJNR-UHFFFAOYSA-N 0 3 334.416 3.396 20 5 EGBDHN COc1cccc(C2(NCCOc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000510196590 312135199 /nfs/dbraw/zinc/13/51/99/312135199.db2.gz XBFUSKGUZHHVNS-UHFFFAOYSA-N 0 3 328.368 3.261 20 5 EGBDHN CCN(Cc1cc(I)cc([N+](=O)[O-])c1)C(C)C ZINC000515559431 312289495 /nfs/dbraw/zinc/28/94/95/312289495.db2.gz ONHHWBFLBCIUNW-UHFFFAOYSA-N 0 3 348.184 3.430 20 5 EGBDHN COc1cc(N2CCCN(C(C)(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000535784214 314074267 /nfs/dbraw/zinc/07/42/67/314074267.db2.gz YFBXPZZHZHHMDV-UHFFFAOYSA-N 0 3 325.384 3.053 20 5 EGBDHN CCOc1ccc([C@H](C)NC[C@@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000536625656 314131984 /nfs/dbraw/zinc/13/19/84/314131984.db2.gz LYHGPCDUGRRHPD-KBPBESRZSA-N 0 3 348.399 3.088 20 5 EGBDHN Cc1ccc(C(=O)NCCN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000539067770 314294115 /nfs/dbraw/zinc/29/41/15/314294115.db2.gz IMQXOTLORWJKSZ-OAHLLOKOSA-N 0 3 341.411 3.292 20 5 EGBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1cccc(Cl)c1 ZINC000554251250 315304645 /nfs/dbraw/zinc/30/46/45/315304645.db2.gz MGMWEZMIHBZEKE-QGZVFWFLSA-N 0 3 348.830 3.326 20 5 EGBDHN Cc1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])cc1F ZINC000554527562 315328272 /nfs/dbraw/zinc/32/82/72/315328272.db2.gz TZASULFWIVCXPT-UHFFFAOYSA-N 0 3 331.347 3.161 20 5 EGBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000554599987 315337467 /nfs/dbraw/zinc/33/74/67/315337467.db2.gz PTRPCCNDQIPPDK-CQSZACIVSA-N 0 3 344.415 3.023 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000560558134 315707684 /nfs/dbraw/zinc/70/76/84/315707684.db2.gz ODEZUSUPHJTCGS-XGWLTEMNSA-N 0 3 333.432 3.247 20 5 EGBDHN CC(C)c1ccc(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000561749672 315779833 /nfs/dbraw/zinc/77/98/33/315779833.db2.gz GIZBLNXZZGAEHA-KRWDZBQOSA-N 0 3 344.411 3.248 20 5 EGBDHN O=C(CC1CCCCC1)NCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564667978 316185615 /nfs/dbraw/zinc/18/56/15/316185615.db2.gz OKHKYKBPCWNTFT-QGZVFWFLSA-N 0 3 345.443 3.258 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCN(Cc2ccccc2)C1 ZINC000570293715 317035417 /nfs/dbraw/zinc/03/54/17/317035417.db2.gz WRJJNVWWFMNSIF-LPHOPBHVSA-N 0 3 337.423 3.446 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@@H]2CCCc3sccc32)c1 ZINC000572632787 317367258 /nfs/dbraw/zinc/36/72/58/317367258.db2.gz SEULDGPWYJZGKZ-XJKSGUPXSA-N 0 3 348.424 3.063 20 5 EGBDHN C[C@@H](NCCNC(=O)CC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173412915 323295562 /nfs/dbraw/zinc/29/55/62/323295562.db2.gz TUYLQQRUDMDAOS-CQSZACIVSA-N 0 3 333.432 3.332 20 5 EGBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000580425151 325248931 /nfs/dbraw/zinc/24/89/31/325248931.db2.gz OMCSGYVMBVCURJ-ZDUSSCGKSA-N 0 3 344.415 3.023 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc4c(c3)CCC4)CC2)n1 ZINC000580611515 325272797 /nfs/dbraw/zinc/27/27/97/325272797.db2.gz OKURHIKWJFXVPB-UHFFFAOYSA-N 0 3 326.400 3.117 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1 ZINC000173012864 455219002 /nfs/dbraw/zinc/21/90/02/455219002.db2.gz HKSFOOFYGPXSRY-OAHLLOKOSA-N 0 3 341.411 3.154 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N1CCCN(Cc2ccccc2)CC1 ZINC000264497065 455224931 /nfs/dbraw/zinc/22/49/31/455224931.db2.gz USRMEGIHPYIDES-UHFFFAOYSA-N 0 3 326.400 3.011 20 5 EGBDHN COc1ccc2c(c1)CC[C@H](NCc1ccc([N+](=O)[O-])cc1F)C2 ZINC000612194022 460563670 /nfs/dbraw/zinc/56/36/70/460563670.db2.gz JRKSCJXANCGGBE-HNNXBMFYSA-N 0 3 330.359 3.390 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC(C)C)CC(C)C ZINC000026647000 453803178 /nfs/dbraw/zinc/80/31/78/453803178.db2.gz YVVQJAFVYASAHC-UHFFFAOYSA-N 0 3 337.420 3.156 20 5 EGBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000029166110 453826876 /nfs/dbraw/zinc/82/68/76/453826876.db2.gz ZVSZJLOGHSNCLJ-CQSZACIVSA-N 0 3 347.440 3.469 20 5 EGBDHN CC(C)CCO[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000083247023 453946593 /nfs/dbraw/zinc/94/65/93/453946593.db2.gz IXUIVCIUFMYMMC-QGZVFWFLSA-N 0 3 349.431 3.060 20 5 EGBDHN O=C(CN1CCC[C@H]1C1CCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000055927614 454026145 /nfs/dbraw/zinc/02/61/45/454026145.db2.gz DOZTUHGJTHSIJY-KRWDZBQOSA-N 0 3 343.427 3.139 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000085636744 454035836 /nfs/dbraw/zinc/03/58/36/454035836.db2.gz PAXGDWHLXFJCOL-OAHLLOKOSA-N 0 3 346.431 3.304 20 5 EGBDHN CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(F)c(F)c1 ZINC000044438857 454101151 /nfs/dbraw/zinc/10/11/51/454101151.db2.gz FDRONMRILDTHBD-UHFFFAOYSA-N 0 3 349.337 3.334 20 5 EGBDHN COc1cccc2c1CC[C@@H]2NCCOc1ccc([N+](=O)[O-])cc1 ZINC000089580955 454163057 /nfs/dbraw/zinc/16/30/57/454163057.db2.gz FLXHPGPQSJKRBZ-KRWDZBQOSA-N 0 3 328.368 3.259 20 5 EGBDHN C[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCC[C@H]1C ZINC000058231045 454173354 /nfs/dbraw/zinc/17/33/54/454173354.db2.gz ONIKLFIHZHADFJ-CHWSQXEVSA-N 0 3 344.415 3.069 20 5 EGBDHN CCCCCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000046017995 454207641 /nfs/dbraw/zinc/20/76/41/454207641.db2.gz HVRVICLDJDXAAQ-UHFFFAOYSA-N 0 3 337.420 3.443 20 5 EGBDHN CN(CCOc1ccc(F)cc1)CCOc1cccc([N+](=O)[O-])c1 ZINC000058932491 454245892 /nfs/dbraw/zinc/24/58/92/454245892.db2.gz OKFYXNVPLWTAJS-UHFFFAOYSA-N 0 3 334.347 3.124 20 5 EGBDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000078429099 454252028 /nfs/dbraw/zinc/25/20/28/454252028.db2.gz XFKKCZQNOYANKZ-UHFFFAOYSA-N 0 3 341.411 3.107 20 5 EGBDHN O=[N+]([O-])c1ccc(NCCCN2CCN(c3ccccc3)CC2)cc1 ZINC000078601338 454283367 /nfs/dbraw/zinc/28/33/67/454283367.db2.gz SEKZGMMMQDNWCO-UHFFFAOYSA-N 0 3 340.427 3.219 20 5 EGBDHN CSC[C@@](C)(O)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120668751 454332699 /nfs/dbraw/zinc/33/26/99/454332699.db2.gz JZJYSGADHYFXJK-INIZCTEOSA-N 0 3 336.413 3.058 20 5 EGBDHN COc1ccc(NC(=O)[C@H](C)N(C)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000064020898 454464153 /nfs/dbraw/zinc/46/41/53/454464153.db2.gz IYQWINDVRPCYHL-LBPRGKRZSA-N 0 3 335.404 3.052 20 5 EGBDHN Cc1c(NC(=O)CCN(C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000122341130 454525388 /nfs/dbraw/zinc/52/53/88/454525388.db2.gz UXDQFLDPZNZZLV-UHFFFAOYSA-N 0 3 333.413 3.425 20 5 EGBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000122793995 454569850 /nfs/dbraw/zinc/56/98/50/454569850.db2.gz FRMJKHCPULYUHZ-HUUCEWRRSA-N 0 3 335.404 3.130 20 5 EGBDHN COCCCN(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000092537222 454582607 /nfs/dbraw/zinc/58/26/07/454582607.db2.gz IIEZCQGWSBIMNY-UHFFFAOYSA-N 0 3 334.372 3.332 20 5 EGBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000123172722 454610331 /nfs/dbraw/zinc/61/03/31/454610331.db2.gz FWIVQLLAKLUATH-UHFFFAOYSA-N 0 3 341.411 3.107 20 5 EGBDHN CN(c1ncccc1[N+](=O)[O-])[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000074775019 454633274 /nfs/dbraw/zinc/63/32/74/454633274.db2.gz APOAATCUTDBQJM-MRXNPFEDSA-N 0 3 326.400 3.091 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cccc(O)c1 ZINC000080920566 454648219 /nfs/dbraw/zinc/64/82/19/454648219.db2.gz GKQWGTQQCYRGJJ-UHFFFAOYSA-N 0 3 343.383 3.069 20 5 EGBDHN CC[C@H](O)CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000124365296 454724097 /nfs/dbraw/zinc/72/40/97/454724097.db2.gz FIUNUXOIVWMJIT-LBPRGKRZSA-N 0 3 334.372 3.114 20 5 EGBDHN Cc1cccc(OC[C@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000152886843 454737225 /nfs/dbraw/zinc/73/72/25/454737225.db2.gz IZBSVEHQQMMNSA-NVXWUHKLSA-N 0 3 344.411 3.302 20 5 EGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000152983096 454749794 /nfs/dbraw/zinc/74/97/94/454749794.db2.gz ZGIYHALWKCBWCA-VXGBXAGGSA-N 0 3 349.456 3.062 20 5 EGBDHN CCOc1ccc([C@H](C)NCCOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000153273382 454776889 /nfs/dbraw/zinc/77/68/89/454776889.db2.gz MJIHAUKWQYJDSB-JTQLQIEISA-N 0 3 336.310 3.223 20 5 EGBDHN Cc1cc(C)c(OC[C@@H](O)CN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000153651602 454817469 /nfs/dbraw/zinc/81/74/69/454817469.db2.gz SSBHHFUPLXTFIJ-KRWDZBQOSA-N 0 3 344.411 3.083 20 5 EGBDHN CC[C@@H](NC[C@H](O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177797774 454906646 /nfs/dbraw/zinc/90/66/46/454906646.db2.gz NZXBAIPJDKMXQA-FUHWJXTLSA-N 0 3 330.384 3.075 20 5 EGBDHN CN(C[C@H]1CCCN(C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000115636350 455024072 /nfs/dbraw/zinc/02/40/72/455024072.db2.gz MBEAKRVFAWILLM-NSHDSACASA-N 0 3 340.811 3.054 20 5 EGBDHN CCN1CCC[C@@H]1CN(C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000179701738 455069036 /nfs/dbraw/zinc/06/90/36/455069036.db2.gz YZMCHKYZSDSHCB-OAHLLOKOSA-N 0 3 333.432 3.076 20 5 EGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)CC1CCOCC1 ZINC000156098547 455081112 /nfs/dbraw/zinc/08/11/12/455081112.db2.gz SBVNPFIYVFVYOH-GFCCVEGCSA-N 0 3 346.387 3.064 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000152271832 455095536 /nfs/dbraw/zinc/09/55/36/455095536.db2.gz NJLVRRFZCDOUCG-OAHLLOKOSA-N 0 3 341.415 3.012 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(C2CCCC2)CC1 ZINC000172438483 455154009 /nfs/dbraw/zinc/15/40/09/455154009.db2.gz XGWLQAIKGMMOQZ-UHFFFAOYSA-N 0 3 346.431 3.385 20 5 EGBDHN CCOC(=O)N1CCC([C@H](C)NCc2csc([N+](=O)[O-])c2)CC1 ZINC000189371957 455187007 /nfs/dbraw/zinc/18/70/07/455187007.db2.gz OIOQUSDNAWETGD-NSHDSACASA-N 0 3 341.433 3.003 20 5 EGBDHN CCS[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189505045 455209530 /nfs/dbraw/zinc/20/95/30/455209530.db2.gz GCZULEUNMHHQCM-ZFWWWQNUSA-N 0 3 337.445 3.187 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000245443486 455302080 /nfs/dbraw/zinc/30/20/80/455302080.db2.gz IUBHXQGBCHRQGO-CKEIUWERSA-N 0 3 331.416 3.495 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000245518048 455319300 /nfs/dbraw/zinc/31/93/00/455319300.db2.gz HGQSIYDKQMKHSJ-CVEARBPZSA-N 0 3 347.459 3.448 20 5 EGBDHN C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1[C@H](C)CC[C@H]1C ZINC000183850923 455333442 /nfs/dbraw/zinc/33/34/42/455333442.db2.gz XVZKWBYTGDUXCB-UTUOFQBUSA-N 0 3 339.823 3.126 20 5 EGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000184685721 455427816 /nfs/dbraw/zinc/42/78/16/455427816.db2.gz PNTRRAUTJKTRFK-DOTOQJQBSA-N 0 3 347.459 3.154 20 5 EGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1CN(C)C ZINC000184756774 455442653 /nfs/dbraw/zinc/44/26/53/455442653.db2.gz NHZWUVIORSEYOT-AEFFLSMTSA-N 0 3 347.459 3.106 20 5 EGBDHN COc1ccc([C@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000246272504 455461857 /nfs/dbraw/zinc/46/18/57/455461857.db2.gz MKLSXQTYRQTNBM-RTBURBONSA-N 0 3 342.395 3.474 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000182658900 455561792 /nfs/dbraw/zinc/56/17/92/455561792.db2.gz NLCYSFPBENCQJF-HOCLYGCPSA-N 0 3 345.443 3.202 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000182658882 455561819 /nfs/dbraw/zinc/56/18/19/455561819.db2.gz NLCYSFPBENCQJF-ZBFHGGJFSA-N 0 3 345.443 3.202 20 5 EGBDHN CC(=O)c1ccc(NCCCCN2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000267973793 455573153 /nfs/dbraw/zinc/57/31/53/455573153.db2.gz WHKQDTFGQNNQTB-KBPBESRZSA-N 0 3 349.431 3.099 20 5 EGBDHN O=[N+]([O-])c1cc(CN2CC[C@H]3CCCC[C@H]3C2)c2c(c1)COCO2 ZINC000247331288 455589041 /nfs/dbraw/zinc/58/90/41/455589041.db2.gz OWNFGBDPRXJRJZ-KGLIPLIRSA-N 0 3 332.400 3.473 20 5 EGBDHN CC(C)N1C[C@H](C)[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000247399064 455595847 /nfs/dbraw/zinc/59/58/47/455595847.db2.gz QYKCGLHHTFZBHP-SMDDNHRTSA-N 0 3 347.440 3.268 20 5 EGBDHN CN(C[C@H]1CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])s1 ZINC000192471890 455625244 /nfs/dbraw/zinc/62/52/44/455625244.db2.gz HBNWZUFRDKCWOE-CQSZACIVSA-N 0 3 332.429 3.010 20 5 EGBDHN COc1ccc(OCCN2CCC[C@@H](CSC)C2)c([N+](=O)[O-])c1 ZINC000292502105 455680268 /nfs/dbraw/zinc/68/02/68/455680268.db2.gz USDIZVXVDKBVGX-CYBMUJFWSA-N 0 3 340.445 3.057 20 5 EGBDHN CCOc1ccc([C@H](C)N[C@@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000271556218 455683424 /nfs/dbraw/zinc/68/34/24/455683424.db2.gz VUAJROXARBKVJK-SMDDNHRTSA-N 0 3 330.388 3.445 20 5 EGBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1OCCc2sccc21 ZINC000292548983 455694530 /nfs/dbraw/zinc/69/45/30/455694530.db2.gz YIYKNHZVCAHMCL-YVEFUNNKSA-N 0 3 348.424 3.327 20 5 EGBDHN Cc1nc(NC2CCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000268518585 455705361 /nfs/dbraw/zinc/70/53/61/455705361.db2.gz UNQPVXNAAMVQPU-UHFFFAOYSA-N 0 3 326.400 3.375 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1CCCO[C@@H]1CC(C)C ZINC000186309273 455739808 /nfs/dbraw/zinc/73/98/08/455739808.db2.gz MBSVQTUIPUORTN-DOTOQJQBSA-N 0 3 349.431 3.025 20 5 EGBDHN CN1CC=C(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000271780033 455757025 /nfs/dbraw/zinc/75/70/25/455757025.db2.gz DHPTVOPQFGSFIC-UHFFFAOYSA-N 0 3 344.440 3.070 20 5 EGBDHN Cc1c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000187248722 455887055 /nfs/dbraw/zinc/88/70/55/455887055.db2.gz JTDUXLLYKYAOMM-KDOFPFPSSA-N 0 3 341.411 3.324 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000187264151 455889130 /nfs/dbraw/zinc/88/91/30/455889130.db2.gz ANUIHNDNGYOLFW-KSSFIOAISA-N 0 3 341.411 3.324 20 5 EGBDHN COc1cc(CN[C@H](C)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272391954 455936175 /nfs/dbraw/zinc/93/61/75/455936175.db2.gz IZRHJYRKMFKSPL-SECBINFHSA-N 0 3 330.331 3.135 20 5 EGBDHN Cc1ccc([C@@H](C)N(C)CCn2cc([N+](=O)[O-])ccc2=O)c(C)c1 ZINC000270555092 455982266 /nfs/dbraw/zinc/98/22/66/455982266.db2.gz IIDGHROMNPGIEP-OAHLLOKOSA-N 0 3 329.400 3.066 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272608445 456012736 /nfs/dbraw/zinc/01/27/36/456012736.db2.gz RZCGITCEJUEEQP-BEFAXECRSA-N 0 3 342.395 3.029 20 5 EGBDHN C[C@@H](CN1CCCCC1)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301513489 456133869 /nfs/dbraw/zinc/13/38/69/456133869.db2.gz JENARCXJZJLKPF-NSHDSACASA-N 0 3 329.347 3.483 20 5 EGBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000301543645 456142526 /nfs/dbraw/zinc/14/25/26/456142526.db2.gz DESXHXNAMREPKY-CHWSQXEVSA-N 0 3 325.384 3.035 20 5 EGBDHN CCOc1ccc([C@H](C)N[C@@H]2CN(C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000271203324 456172373 /nfs/dbraw/zinc/17/23/73/456172373.db2.gz ZSHAHOBOKOVLOT-DVOMOZLQSA-N 0 3 333.432 3.127 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)C(F)(F)F)s1 ZINC000263800799 456226630 /nfs/dbraw/zinc/22/66/30/456226630.db2.gz JYQHIZKUTUABJO-CYBMUJFWSA-N 0 3 346.330 3.336 20 5 EGBDHN Cc1cc(NC[C@@H]2CCCN(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301839006 456230107 /nfs/dbraw/zinc/23/01/07/456230107.db2.gz XFPDOPFROIGQMA-AWEZNQCLSA-N 0 3 341.415 3.114 20 5 EGBDHN Cc1cc(Cc2noc(C3CCN(C4CC4)CC3)n2)ccc1[N+](=O)[O-] ZINC000290073021 456231778 /nfs/dbraw/zinc/23/17/78/456231778.db2.gz LIQSIFNFKHWONP-UHFFFAOYSA-N 0 3 342.399 3.219 20 5 EGBDHN C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCC[C@H]1C ZINC000342926023 456318584 /nfs/dbraw/zinc/31/85/84/456318584.db2.gz OIPIJWLBRRBRGG-OLZOCXBDSA-N 0 3 344.415 3.069 20 5 EGBDHN CN1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000302239756 456326738 /nfs/dbraw/zinc/32/67/38/456326738.db2.gz HMKYBSGHOXGPQG-UHFFFAOYSA-N 0 3 340.855 3.076 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000282055407 456402662 /nfs/dbraw/zinc/40/26/62/456402662.db2.gz VTPSOUOPZJDARM-CYBMUJFWSA-N 0 3 337.379 3.342 20 5 EGBDHN CCC(O)(CC)CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000276228317 456419593 /nfs/dbraw/zinc/41/95/93/456419593.db2.gz NEQJLKDJHWRGBI-UHFFFAOYSA-N 0 3 332.347 3.227 20 5 EGBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000282140286 456423975 /nfs/dbraw/zinc/42/39/75/456423975.db2.gz ATJIFWOTTCWSQP-INIZCTEOSA-N 0 3 341.415 3.097 20 5 EGBDHN C[C@]1(CO)CCC[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304316159 456504890 /nfs/dbraw/zinc/50/48/90/456504890.db2.gz LFIKBDAGTGHGRB-DOTOQJQBSA-N 0 3 347.440 3.359 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](n3cccn3)C2)o1 ZINC000291236679 456574039 /nfs/dbraw/zinc/57/40/39/456574039.db2.gz KUEDBKIEZMJJGJ-CQSZACIVSA-N 0 3 338.367 3.498 20 5 EGBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000353264629 456597205 /nfs/dbraw/zinc/59/72/05/456597205.db2.gz VPNBCWYXDGZRJH-GFCCVEGCSA-N 0 3 326.356 3.201 20 5 EGBDHN C[C@H](NCCc1ccc2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000324044192 456660092 /nfs/dbraw/zinc/66/00/92/456660092.db2.gz SCPBASIKWXMDSU-ZDUSSCGKSA-N 0 3 328.368 3.259 20 5 EGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CN1[C@@H](C)CC[C@@H]1C ZINC000344219357 456807673 /nfs/dbraw/zinc/80/76/73/456807673.db2.gz PEXYHLZMQOAGDX-GJZGRUSLSA-N 0 3 333.432 3.205 20 5 EGBDHN Cc1cc(NC(=O)NC[C@H](C)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000353770912 456899985 /nfs/dbraw/zinc/89/99/85/456899985.db2.gz VLBTWSSDDDPOEX-AWEZNQCLSA-N 0 3 334.420 3.145 20 5 EGBDHN CN(CCNc1ncnc2sc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000341827058 456960968 /nfs/dbraw/zinc/96/09/68/456960968.db2.gz UNNNQYIDFGVYRE-UHFFFAOYSA-N 0 3 343.412 3.143 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN[C@H](c2ccccc2)c2cncnc2)cc1 ZINC000349463226 456972893 /nfs/dbraw/zinc/97/28/93/456972893.db2.gz STTCMIKSXOGOLH-LJQANCHMSA-N 0 3 334.379 3.307 20 5 EGBDHN Cc1nc(N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000346644998 457088079 /nfs/dbraw/zinc/08/80/79/457088079.db2.gz AIGUNQVUDVNLHX-GJZGRUSLSA-N 0 3 340.427 3.397 20 5 EGBDHN Cc1c(CNC(=O)[C@H](C(C)C)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000331131122 457135852 /nfs/dbraw/zinc/13/58/52/457135852.db2.gz QDBHUVWAPJAOPI-KRWDZBQOSA-N 0 3 333.432 3.030 20 5 EGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnc(C)[n-]c1=O ZINC000346796846 457174599 /nfs/dbraw/zinc/17/45/99/457174599.db2.gz OELINFKMRWMOAF-CYBMUJFWSA-N 0 3 348.428 3.059 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@H]3CCCCC3(F)F)C2)nc1 ZINC000331581499 457211368 /nfs/dbraw/zinc/21/13/68/457211368.db2.gz XFFPEQWFVPNLJJ-CHWSQXEVSA-N 0 3 340.374 3.302 20 5 EGBDHN CN(C)CCN(Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000347177244 457273863 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CC[C@H](CN1CCCC1)NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000610721051 460225871 /nfs/dbraw/zinc/22/58/71/460225871.db2.gz PCKVMDHQHAAUMP-GOEBONIOSA-N 0 3 348.447 3.138 20 5 EGBDHN CC1(C)C[C@@H](NCCOC[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000618984291 460242193 /nfs/dbraw/zinc/24/21/93/460242193.db2.gz VVKDFIMTBWDMMV-WMLDXEAASA-N 0 3 334.416 3.102 20 5 EGBDHN C[C@H]1CC(F)(F)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599624749 460290522 /nfs/dbraw/zinc/29/05/22/460290522.db2.gz XGVYDFSLQUDZHS-NSHDSACASA-N 0 3 327.331 3.043 20 5 EGBDHN Cc1ccncc1[C@@H](C)N[C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611299718 460332170 /nfs/dbraw/zinc/33/21/70/460332170.db2.gz CKYCCIBUAKITTQ-ZIAGYGMSSA-N 0 3 342.399 3.366 20 5 EGBDHN Cc1nccc([C@@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603834318 460344873 /nfs/dbraw/zinc/34/48/73/460344873.db2.gz QAWRGYCKFARDGQ-MRXNPFEDSA-N 0 3 326.400 3.115 20 5 EGBDHN CC(C)(CNc1cccnc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000603849927 460347573 /nfs/dbraw/zinc/34/75/73/460347573.db2.gz ORXINYGTOSZOME-UHFFFAOYSA-N 0 3 326.400 3.239 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000611442810 460366218 /nfs/dbraw/zinc/36/62/18/460366218.db2.gz FERCVGNKKKGTQX-SNVBAGLBSA-N 0 3 342.321 3.469 20 5 EGBDHN CC[C@@H](CN1CCCC1)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000616119274 460476872 /nfs/dbraw/zinc/47/68/72/460476872.db2.gz XTARVDYTTXZQAT-AWEZNQCLSA-N 0 3 334.420 3.208 20 5 EGBDHN CN1CCCC(C)(C)[C@H]1CNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000619158296 469539306 /nfs/dbraw/zinc/53/93/06/469539306.db2.gz PERQELONAQPQIF-OAHLLOKOSA-N 0 3 329.404 3.070 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCNC(=O)OC(C)(C)C ZINC000835076842 1293202553 /nfs/dbraw/zinc/20/25/53/1293202553.db2.gz DZJMYPAYAIATPR-KAMYIIQDSA-N 0 3 349.431 3.455 20 5 EGBDHN C[C@@](O)(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccco1 ZINC000174529581 1294507072 /nfs/dbraw/zinc/50/70/72/1294507072.db2.gz OTPHMPVENJPHOM-GOSISDBHSA-N 0 3 342.351 3.445 20 5 EGBDHN CC1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)OCCO1 ZINC000179554840 1294803594 /nfs/dbraw/zinc/80/35/94/1294803594.db2.gz VXDNCOYKMPSOSN-UHFFFAOYSA-N 0 3 334.397 3.176 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOC[C@H]1CCOC1 ZINC000872036512 1296687231 /nfs/dbraw/zinc/68/72/31/1296687231.db2.gz SVQGORMUJUTASP-STQMWFEESA-N 0 3 340.445 3.020 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@@H](O)c1c(F)cccc1F ZINC000873058429 1297251944 /nfs/dbraw/zinc/25/19/44/1297251944.db2.gz FRWZKFSUHFEVOQ-MRXNPFEDSA-N 0 3 336.338 3.313 20 5 EGBDHN COc1cccc([C@@H](CNCc2cccc([N+](=O)[O-])c2C)OC)c1 ZINC000873141017 1297297272 /nfs/dbraw/zinc/29/72/72/1297297272.db2.gz ZGMOHDBRVJSYQM-GOSISDBHSA-N 0 3 330.384 3.389 20 5 EGBDHN C[C@@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000724953547 1298351506 /nfs/dbraw/zinc/35/15/06/1298351506.db2.gz RXBKKPABTSOOLH-IUODEOHRSA-N 0 3 335.404 3.255 20 5 EGBDHN COC(=O)CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC(C)C ZINC000746663739 1298636052 /nfs/dbraw/zinc/63/60/52/1298636052.db2.gz VYUOTPCVKDIVSQ-UHFFFAOYSA-N 0 3 328.796 3.269 20 5 EGBDHN CN(Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)C(C1CC1)C1CC1 ZINC000878017378 1299708485 /nfs/dbraw/zinc/70/84/85/1299708485.db2.gz ABYDUMIQQXFQLB-UHFFFAOYSA-N 0 3 328.372 3.265 20 5 EGBDHN Cc1ccc([C@@H](C)NCC(=O)N(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000754679390 1300189124 /nfs/dbraw/zinc/18/91/24/1300189124.db2.gz XLJYTUQKBKAIBU-GFCCVEGCSA-N 0 3 333.413 3.278 20 5 EGBDHN CCC1(CC)CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000755929974 1300418121 /nfs/dbraw/zinc/41/81/21/1300418121.db2.gz FCPZORKIJFCHIF-UHFFFAOYSA-N 0 3 329.404 3.323 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)CNC(=O)OC(C)(C)C ZINC000756068788 1300434527 /nfs/dbraw/zinc/43/45/27/1300434527.db2.gz ABZJIXMUKSEHMR-QWHCGFSZSA-N 0 3 337.420 3.467 20 5 EGBDHN COc1ccc(F)cc1[C@@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848657 1302339403 /nfs/dbraw/zinc/33/94/03/1302339403.db2.gz LEJPLPPRFRWXJW-BZNIZROVSA-N 0 3 334.347 3.127 20 5 EGBDHN Cc1ccc([C@H](C)N[C@H](CO)C[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000773102981 1303624707 /nfs/dbraw/zinc/62/47/07/1303624707.db2.gz ABZUHPVSFHTPBQ-FNHZYXHNSA-N 0 3 344.411 3.038 20 5 EGBDHN CC(C)COc1ccccc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278822 1304127730 /nfs/dbraw/zinc/12/77/30/1304127730.db2.gz WAHWFCAPORXSFU-SFHVURJKSA-N 0 3 344.411 3.453 20 5 EGBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC(OC3CCCCC3)CC2)cc1 ZINC000776579075 1304173218 /nfs/dbraw/zinc/17/32/18/1304173218.db2.gz IQXAOKOSHBJHDK-IBGZPJMESA-N 0 3 348.443 3.442 20 5 EGBDHN Cc1cccc([C@H]2CCCN2C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776586881 1304176304 /nfs/dbraw/zinc/17/63/04/1304176304.db2.gz RJXPBXFCEYRRAJ-MSOLQXFVSA-N 0 3 327.384 3.169 20 5 EGBDHN Cc1cccnc1[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776592328 1304177726 /nfs/dbraw/zinc/17/77/26/1304177726.db2.gz LCODBRAAZWKSGD-IRXDYDNUSA-N 0 3 329.400 3.319 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC000777942876 1304370037 /nfs/dbraw/zinc/37/00/37/1304370037.db2.gz QWQAYZNCLWOICF-UHFFFAOYSA-N 0 3 349.337 3.387 20 5 EGBDHN COCCN(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CCCC1 ZINC000777954885 1304372171 /nfs/dbraw/zinc/37/21/71/1304372171.db2.gz QHBKFOKNQLOKKU-UHFFFAOYSA-N 0 3 344.415 3.307 20 5 EGBDHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892197573 1305279120 /nfs/dbraw/zinc/27/91/20/1305279120.db2.gz RPVMUIABRIBASV-CHWSQXEVSA-N 0 3 340.445 3.415 20 5 EGBDHN C[C@@](O)(CNCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000893266472 1305793943 /nfs/dbraw/zinc/79/39/43/1305793943.db2.gz RHGFGYQUYLADAA-MRXNPFEDSA-N 0 3 338.766 3.385 20 5 EGBDHN COCCN(Cn1nc(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@@H](C)C1 ZINC000790479566 1306333177 /nfs/dbraw/zinc/33/31/77/1306333177.db2.gz PVUJCZZINQTGBD-HIFRSBDPSA-N 0 3 346.431 3.347 20 5 EGBDHN CSc1ccccc1CN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000791604696 1309032035 /nfs/dbraw/zinc/03/20/35/1309032035.db2.gz YGTVGEDRXLBFNQ-INIZCTEOSA-N 0 3 332.425 3.482 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](C)NC(=O)OC(C)(C)C ZINC000794824648 1309601706 /nfs/dbraw/zinc/60/17/06/1309601706.db2.gz LDFBVSDCLHDLII-OLZOCXBDSA-N 0 3 337.420 3.467 20 5 EGBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)c(F)c1 ZINC000796114001 1309911750 /nfs/dbraw/zinc/91/17/50/1309911750.db2.gz FNMQZUAOBCYQIY-KRWDZBQOSA-N 0 3 336.338 3.081 20 5 EGBDHN C[C@@](O)(CNCc1ccc([N+](=O)[O-])c(Cl)c1)c1cccc(F)c1 ZINC000896565334 1309917791 /nfs/dbraw/zinc/91/77/91/1309917791.db2.gz VUYKEVLPIHOOMN-MRXNPFEDSA-N 0 3 338.766 3.385 20 5 EGBDHN Cc1ccc(CNCC2(NC(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000897422955 1310331443 /nfs/dbraw/zinc/33/14/43/1310331443.db2.gz SBCHJKBCVVXYEP-UHFFFAOYSA-N 0 3 335.404 3.050 20 5 EGBDHN O=[N+]([O-])c1ccc([C@@H](O)CNCc2cc(Cl)cc3c2OCC3)cc1 ZINC000809733390 1317882869 /nfs/dbraw/zinc/88/28/69/1317882869.db2.gz VDHNQXLPQZFTTM-INIZCTEOSA-N 0 3 348.786 3.006 20 5 EGBDHN CC(COC(=O)c1csc(-c2ccc(Cl)s2)n1)[N+](=O)[O-] ZINC000813102129 1318499175 /nfs/dbraw/zinc/49/91/75/1318499175.db2.gz BOPHMQLMFWLHTR-LURJTMIESA-N 0 3 332.790 3.347 20 5 EGBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1NC(=O)OC(C)(C)C ZINC000813108308 1318500519 /nfs/dbraw/zinc/50/05/19/1318500519.db2.gz XKAIFOYKJSPTIU-NSHDSACASA-N 0 3 338.360 3.164 20 5 EGBDHN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107929 1318501292 /nfs/dbraw/zinc/50/12/92/1318501292.db2.gz ZFAWKXJRADLAQU-LBPRGKRZSA-N 0 3 344.367 3.256 20 5 EGBDHN COc1ccccc1/C=C(\C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813115584 1318502294 /nfs/dbraw/zinc/50/22/94/1318502294.db2.gz VYGNCOXOKNVESU-MTOJCTJASA-N 0 3 341.363 3.444 20 5 EGBDHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000817494990 1319378576 /nfs/dbraw/zinc/37/85/76/1319378576.db2.gz MEOGAVYZKKHBKT-JTQLQIEISA-N 0 3 346.214 3.068 20 5 EGBDHN C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000915600692 1319506066 /nfs/dbraw/zinc/50/60/66/1319506066.db2.gz WAUIGFAGDYEBLD-VXGBXAGGSA-N 0 3 339.823 3.241 20 5 EGBDHN Cc1c(CNCc2ccc(Cn3cccn3)cc2)cccc1[N+](=O)[O-] ZINC000917134662 1319762212 /nfs/dbraw/zinc/76/22/12/1319762212.db2.gz IQHYTCXWZWNZAQ-UHFFFAOYSA-N 0 3 336.395 3.438 20 5 EGBDHN COc1cccc(C(=O)OC[C@H]2CCCCN2C(C)C)c1[N+](=O)[O-] ZINC000837674704 1320664594 /nfs/dbraw/zinc/66/45/94/1320664594.db2.gz ZTGUUBAVDCRYJU-CYBMUJFWSA-N 0 3 336.388 3.023 20 5 EGBDHN CC([C@H](OC(=O)CC[C@H]1CC[C@@H](C)O1)c1ccccc1F)[N+](=O)[O-] ZINC000845873204 1321747113 /nfs/dbraw/zinc/74/71/13/1321747113.db2.gz BYHJCMGLXXCCAT-ZHRONYKTSA-N 0 3 339.363 3.423 20 5 EGBDHN CC(C)CO[C@H](C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873354 1321747732 /nfs/dbraw/zinc/74/77/32/1321747732.db2.gz CUHRMMVZZKWYDG-JMSVASOKSA-N 0 3 327.352 3.136 20 5 EGBDHN CCc1cncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845877053 1321749394 /nfs/dbraw/zinc/74/93/94/1321749394.db2.gz DPQVMIICGFYRKU-ZBEGNZNMSA-N 0 3 332.331 3.346 20 5 EGBDHN CC([C@@H](OC(=O)[C@H]1CCC(=O)C[C@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000845877320 1321749597 /nfs/dbraw/zinc/74/95/97/1321749597.db2.gz PAVGLYWYZKTOTI-KTSGXFQWSA-N 0 3 337.347 3.081 20 5 EGBDHN CC(C)Cn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845878838 1321749654 /nfs/dbraw/zinc/74/96/54/1321749654.db2.gz SYOALJPHODDLHQ-BLLLJJGKSA-N 0 3 349.362 3.242 20 5 EGBDHN CC([C@H](OC(=O)[C@H]1CCC(=O)C[C@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000845877315 1321749795 /nfs/dbraw/zinc/74/97/95/1321749795.db2.gz PAVGLYWYZKTOTI-BQNAKDMGSA-N 0 3 337.347 3.081 20 5 EGBDHN CC[C@H](C)[C@H](OC)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883514 1321750020 /nfs/dbraw/zinc/75/00/20/1321750020.db2.gz UFJLYPLWOQXADN-GVARAGBVSA-N 0 3 327.352 3.136 20 5 EGBDHN CO[C@@H]1CCC[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845882221 1321750093 /nfs/dbraw/zinc/75/00/93/1321750093.db2.gz NYNDEIKJFPNGFY-OQMKEHIESA-N 0 3 339.363 3.280 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000850437275 1322249688 /nfs/dbraw/zinc/24/96/88/1322249688.db2.gz KGOUOUKLBJAREE-LBPRGKRZSA-N 0 3 345.355 3.405 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](O)c1cccc(C)c1 ZINC000850445875 1322250628 /nfs/dbraw/zinc/25/06/28/1322250628.db2.gz JQKJMIJITCGHSN-DYVFJYSZSA-N 0 3 330.384 3.296 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000932212996 1329796597 /nfs/dbraw/zinc/79/65/97/1329796597.db2.gz MLNXHHUERZUVNE-OAHLLOKOSA-N 0 3 342.399 3.136 20 5 EGBDHN CC(C)(C)OC(=O)NCC[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000932699688 1329835291 /nfs/dbraw/zinc/83/52/91/1329835291.db2.gz LYVMDBKGAUIBNA-CQSZACIVSA-N 0 3 349.431 3.332 20 5 EGBDHN O=C(N[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CC1)c1ccco1 ZINC001034580687 1342626377 /nfs/dbraw/zinc/62/63/77/1342626377.db2.gz JODBSGVJJWBYJU-JOCQHMNTSA-N 0 3 349.412 3.080 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@@H]3CCc4c3cccc4F)C2)nc1 ZINC001324296408 1387586164 /nfs/dbraw/zinc/58/61/64/1387586164.db2.gz CRSYNPUORGCEQD-SJKOYZFVSA-N 0 3 342.374 3.303 20 5 EGBDHN C/C=C(/C)C(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001115473018 1370478862 /nfs/dbraw/zinc/47/88/62/1370478862.db2.gz KPZWUOGOZBYLDK-CQPUUCJISA-N 0 3 345.443 3.470 20 5 EGBDHN CSc1ccc([C@@H](CNc2c(C)cncc2[N+](=O)[O-])N(C)C)cc1 ZINC001117742586 1371072314 /nfs/dbraw/zinc/07/23/14/1371072314.db2.gz URTIYYFJLXNMEC-OAHLLOKOSA-N 0 3 346.456 3.157 20 5 EGBDHN COc1c(O)ccc(CN(C)[C@H]2CC[C@@H](SC)C2)c1[N+](=O)[O-] ZINC001120017905 1371457957 /nfs/dbraw/zinc/45/79/57/1371457957.db2.gz JDQQKZXUBDVQQO-NWDGAFQWSA-N 0 3 326.418 3.025 20 5 EGBDHN O=[N+]([O-])c1cc2[n-]c(O[C@H]3CCC34CC[NH2+]CC4)nc2cc1Cl ZINC001218079744 1373556465 /nfs/dbraw/zinc/55/64/65/1373556465.db2.gz IQELVPXSJKNMJY-ZDUSSCGKSA-N 0 3 336.779 3.036 20 5 EGBDHN CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@H]1CNCc2ccccc21 ZINC001218487216 1373623811 /nfs/dbraw/zinc/62/38/11/1373623811.db2.gz NJOMPSIONPDARG-KRWDZBQOSA-N 0 3 326.352 3.329 20 5 EGBDHN Nc1ccc2n(C(=O)[C@@H](N)C3CCCCC3)c3ccccc3cc-2c1=O ZINC001219254277 1373695871 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CCN1CCCN(c2nc3ccccc3c(Cl)c2[N+](=O)[O-])CC1 ZINC001163774658 1383121033 /nfs/dbraw/zinc/12/10/33/1383121033.db2.gz NNVAKMIEVCBHOM-UHFFFAOYSA-N 0 3 334.807 3.328 20 5 EGBDHN COc1c(F)cc(NCC2CN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001165455466 1383298299 /nfs/dbraw/zinc/29/82/99/1383298299.db2.gz WYHJIXXBJXJOBR-UHFFFAOYSA-N 0 3 345.374 3.286 20 5 EGBDHN CCCCC1(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC001165895196 1383359313 /nfs/dbraw/zinc/35/93/13/1383359313.db2.gz IBSNGEJEMWWYGR-UHFFFAOYSA-N 0 3 339.461 3.223 20 5 EGBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001168968377 1384073576 /nfs/dbraw/zinc/07/35/76/1384073576.db2.gz YILJRGVPBSEADO-PSASIEDQSA-N 0 3 337.729 3.289 20 5 EGBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2c(F)cc(Br)cc2F)C1 ZINC001168991329 1384081188 /nfs/dbraw/zinc/08/11/88/1384081188.db2.gz GIEBVPQQQCJOTC-WCBMZHEXSA-N 0 3 349.175 3.262 20 5 EGBDHN COc1ccc(C[C@@H](C)NCc2cccc(OC)c2F)c([N+](=O)[O-])c1 ZINC001170317284 1384289336 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C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175780884 278190238 /nfs/dbraw/zinc/19/02/38/278190238.db2.gz WTRIJCLYTHPGJN-VXGBXAGGSA-N 0 3 339.823 3.098 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000085635113 281009166 /nfs/dbraw/zinc/00/91/66/281009166.db2.gz DMIHZJSOUIVLMD-AWEZNQCLSA-N 0 3 334.420 3.017 20 5 EGBDHN COc1ccc([C@@H](CO)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000414189012 309065829 /nfs/dbraw/zinc/06/58/29/309065829.db2.gz QUOXKYFLHTYIAV-XJKSGUPXSA-N 0 3 330.384 3.030 20 5 EGBDHN COc1ccc([C@@H](CO)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000414196684 309066307 /nfs/dbraw/zinc/06/63/07/309066307.db2.gz VTKWHRUJRCAKKO-XJKSGUPXSA-N 0 3 330.384 3.030 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248412727 308002480 /nfs/dbraw/zinc/00/24/80/308002480.db2.gz FOTHYRCQJUFQOQ-JLJPHGGASA-N 0 3 331.416 3.352 20 5 EGBDHN O=[N+]([O-])c1cccc(CNCCc2cc(C(F)(F)F)ccn2)c1 ZINC000292890006 308076881 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330.384 3.448 20 5 EGBDHN C[C@H](N[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000297206146 308510053 /nfs/dbraw/zinc/51/00/53/308510053.db2.gz GHPVCLKAASEVKG-DANNLKNASA-N 0 3 347.415 3.111 20 5 EGBDHN CN(C)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000301727772 308712760 /nfs/dbraw/zinc/71/27/60/308712760.db2.gz BLFZTPXEWYAEER-AWEZNQCLSA-N 0 3 338.770 3.497 20 5 EGBDHN O=[N+]([O-])c1cc(F)c(N2CCC[C@H]2CN2CCCCC2)c(F)c1 ZINC000302406391 308736855 /nfs/dbraw/zinc/73/68/55/308736855.db2.gz GSFXLAOSQCLUEW-LBPRGKRZSA-N 0 3 325.359 3.328 20 5 EGBDHN Cc1ccc(OC[C@@H](O)CNCc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000327676009 308771573 /nfs/dbraw/zinc/77/15/73/308771573.db2.gz MQZWFILNSJPKME-KRWDZBQOSA-N 0 3 344.411 3.050 20 5 EGBDHN Cc1ccc([C@@H](C)NC(=O)[C@H](C)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000331954577 308822059 /nfs/dbraw/zinc/82/20/59/308822059.db2.gz JOYZAKTWIDDFIT-CABCVRRESA-N 0 3 333.432 3.345 20 5 EGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2COCc3ccccc32)n1 ZINC000417359265 309202854 /nfs/dbraw/zinc/20/28/54/309202854.db2.gz IJPHBZVIKBBZCC-GVDBMIGSSA-N 0 3 342.399 3.136 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCN(CC(F)F)C1)CCCC2 ZINC000417380681 309203699 /nfs/dbraw/zinc/20/36/99/309203699.db2.gz HRIMLPBWRNRTPV-BBRMVZONSA-N 0 3 339.386 3.291 20 5 EGBDHN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCCN1C ZINC000420997336 309306446 /nfs/dbraw/zinc/30/64/46/309306446.db2.gz LCHVBBXLSZKPKJ-ZDUSSCGKSA-N 0 3 331.338 3.140 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000421762691 309339058 /nfs/dbraw/zinc/33/90/58/309339058.db2.gz NTVNZKMKKQBYOU-MRXNPFEDSA-N 0 3 345.443 3.302 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000421886196 309345199 /nfs/dbraw/zinc/34/51/99/309345199.db2.gz GXFALWWUKSHLQS-ISTRZQFTSA-N 0 3 345.443 3.014 20 5 EGBDHN CCOc1ccc([C@H](C)NCc2ccc3c(c2)CNC3)cc1[N+](=O)[O-] ZINC000423395955 309398626 /nfs/dbraw/zinc/39/86/26/309398626.db2.gz SBAFGFPOFFVXHY-ZDUSSCGKSA-N 0 3 341.411 3.448 20 5 EGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2ccc(F)c(F)c2)n1 ZINC000447544495 309981666 /nfs/dbraw/zinc/98/16/66/309981666.db2.gz VSFJODHRVGIBOG-LSDHHAIUSA-N 0 3 336.342 3.343 20 5 EGBDHN CC[C@H](C)[C@@H](CNCc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000449403773 310059229 /nfs/dbraw/zinc/05/92/29/310059229.db2.gz XOOMWTGHGZKVQP-IINYFYTJSA-N 0 3 332.347 3.347 20 5 EGBDHN NC(=O)c1cccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449496870 310066886 /nfs/dbraw/zinc/06/68/86/310066886.db2.gz HWMXZFZMLDFXQF-KRWDZBQOSA-N 0 3 339.395 3.073 20 5 EGBDHN COc1cccnc1CN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000449745640 310083802 /nfs/dbraw/zinc/08/38/02/310083802.db2.gz CQHXDTMZZGMNGH-HOCLYGCPSA-N 0 3 341.411 3.499 20 5 EGBDHN Cc1nc(NC[C@@]2(C)CCCN2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450456591 310123764 /nfs/dbraw/zinc/12/37/64/310123764.db2.gz XXCNWTBANVVAKT-GOSISDBHSA-N 0 3 341.415 3.160 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(N2CCN(Cc3ccccc3)C[C@@H](C)C2)n1 ZINC000450811641 310143660 /nfs/dbraw/zinc/14/36/60/310143660.db2.gz OGSPYKCSAVBZLW-OAHLLOKOSA-N 0 3 340.427 3.257 20 5 EGBDHN Cc1cc(N2CCN(Cc3ccccc3)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450815609 310143873 /nfs/dbraw/zinc/14/38/73/310143873.db2.gz YVENEAKIDIHASQ-HNNXBMFYSA-N 0 3 340.427 3.257 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(CCc3ccc(Cl)cc3)CC2)n1 ZINC000450884736 310147695 /nfs/dbraw/zinc/14/76/95/310147695.db2.gz STNXZRCFPXVJLZ-UHFFFAOYSA-N 0 3 334.807 3.324 20 5 EGBDHN COc1cc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c([N+](=O)[O-])cc1F ZINC000451474835 310180145 /nfs/dbraw/zinc/18/01/45/310180145.db2.gz BMGBXGLVTRGKRT-LYRGGWFBSA-N 0 3 338.379 3.036 20 5 EGBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451771875 310196653 /nfs/dbraw/zinc/19/66/53/310196653.db2.gz ISXAHUREYHARRK-OLZOCXBDSA-N 0 3 326.780 3.070 20 5 EGBDHN Cc1c([C@@H](C)NC[C@@H](O)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000453229163 310265442 /nfs/dbraw/zinc/26/54/42/310265442.db2.gz CAVXMPKSKSHLPE-CJNGLKHVSA-N 0 3 332.375 3.297 20 5 EGBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456134484 310390001 /nfs/dbraw/zinc/39/00/01/310390001.db2.gz GRWHUFVQZINQBG-UXLLHSPISA-N 0 3 345.443 3.174 20 5 EGBDHN COc1cc(CNc2ccc(C[NH+](C)C)c(C)c2)c([N+](=O)[O-])cc1[O-] ZINC000459737219 310571870 /nfs/dbraw/zinc/57/18/70/310571870.db2.gz HVNQRTOCBLROJB-UHFFFAOYSA-N 0 3 345.399 3.291 20 5 EGBDHN CN(C)CCSc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000462491842 310600628 /nfs/dbraw/zinc/60/06/28/310600628.db2.gz SHDJHMZHCNTUBI-UHFFFAOYSA-N 0 3 333.413 3.223 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000463950027 310616506 /nfs/dbraw/zinc/61/65/06/310616506.db2.gz MSDPEXJZSPNERC-HNNXBMFYSA-N 0 3 348.447 3.454 20 5 EGBDHN COCCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000487950996 311044457 /nfs/dbraw/zinc/04/44/57/311044457.db2.gz BSHWAELUVTYRJB-DOMZBBRYSA-N 0 3 340.395 3.380 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000491291151 311172061 /nfs/dbraw/zinc/17/20/61/311172061.db2.gz MFPDQJANQUSVTO-CLFYSBASSA-N 0 3 343.358 3.447 20 5 EGBDHN O=[N+]([O-])c1cccc(F)c1CN1CCN(CC2CCCCC2)CC1 ZINC000505784482 312034251 /nfs/dbraw/zinc/03/42/51/312034251.db2.gz QFWMXXFWNBJEQS-UHFFFAOYSA-N 0 3 335.423 3.432 20 5 EGBDHN COc1ccc(OCCN2CCc3ccccc3CC2)c([N+](=O)[O-])c1 ZINC000524756142 312677136 /nfs/dbraw/zinc/67/71/36/312677136.db2.gz KDUBKWOMILWQIB-UHFFFAOYSA-N 0 3 342.395 3.083 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(NC[C@H](c2ccc(F)cc2)N(C)C)c1 ZINC000525193412 312703479 /nfs/dbraw/zinc/70/34/79/312703479.db2.gz NVEADXQVGQDNRB-QGZVFWFLSA-N 0 3 333.363 3.457 20 5 EGBDHN COc1cc(NC[C@@H](Cc2ccccc2)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000534917523 314006556 /nfs/dbraw/zinc/00/65/56/314006556.db2.gz WAZWLUQUKURRHX-CQSZACIVSA-N 0 3 347.390 3.327 20 5 EGBDHN CCOC(=O)[C@H](C)[C@@H](C)NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000549934139 315111402 /nfs/dbraw/zinc/11/14/02/315111402.db2.gz XYOLQQFJRFGUDD-NXEZZACHSA-N 0 3 348.321 3.291 20 5 EGBDHN CCCN(CCN1CCCCC1)C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000553150753 315247894 /nfs/dbraw/zinc/24/78/94/315247894.db2.gz CUCBSNBTFDDTOU-UHFFFAOYSA-N 0 3 347.459 3.495 20 5 EGBDHN COc1cccc(COCCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000563419762 316018632 /nfs/dbraw/zinc/01/86/32/316018632.db2.gz YXBBYBFUYYSGEZ-GOSISDBHSA-N 0 3 342.395 3.397 20 5 EGBDHN CCN(C[C@@H]1CCCN1CC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000564239357 316127690 /nfs/dbraw/zinc/12/76/90/316127690.db2.gz RJRJGUBRPBQKGW-AWEZNQCLSA-N 0 3 339.823 3.195 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CCN(C)C)C[C@H]1CCCO1 ZINC000564313561 316134735 /nfs/dbraw/zinc/13/47/35/316134735.db2.gz YPZYZVXGJKYFNL-APEZIOSESA-N 0 3 347.459 3.041 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@@H](CO)C2CC2)c2ccccc2)c1 ZINC000569534601 316926871 /nfs/dbraw/zinc/92/68/71/316926871.db2.gz LUIVUWFGCYIXRO-HKUYNNGSSA-N 0 3 326.396 3.292 20 5 EGBDHN CCN(CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])CCC(F)(F)F ZINC000570816103 317112415 /nfs/dbraw/zinc/11/24/15/317112415.db2.gz KTDNDNXLQZUOJT-CQSZACIVSA-N 0 3 345.365 3.446 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H](CO)C2CCCC2)o1 ZINC000574369381 317590132 /nfs/dbraw/zinc/59/01/32/317590132.db2.gz HMMSHKQQRQBFIM-INIZCTEOSA-N 0 3 330.384 3.496 20 5 EGBDHN COc1ccc(-c2ccc(CNCCCCCO)o2)c([N+](=O)[O-])c1 ZINC000576475247 324622499 /nfs/dbraw/zinc/62/24/99/324622499.db2.gz VUHNMPMXSRGXOZ-UHFFFAOYSA-N 0 3 334.372 3.116 20 5 EGBDHN C[C@](CO)(CN[C@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000581143182 325335144 /nfs/dbraw/zinc/33/51/44/325335144.db2.gz UMAFQHOUQUAIPN-AZUAARDMSA-N 0 3 340.423 3.413 20 5 EGBDHN CNc1ccc(C(=O)Nc2ccc(CN(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000583068938 325492548 /nfs/dbraw/zinc/49/25/48/325492548.db2.gz NLLZVXQCZJGSDD-UHFFFAOYSA-N 0 3 342.399 3.259 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN(C2CC2)[C@H]2CCCc3ccccc32)c1 ZINC000157772919 455230021 /nfs/dbraw/zinc/23/00/21/455230021.db2.gz SRDMDAPGGGFKSJ-SFHVURJKSA-N 0 3 326.400 3.333 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCCOC3)cs2)c1 ZINC000237996398 455242440 /nfs/dbraw/zinc/24/24/40/455242440.db2.gz FFXMUHWLTUNRJT-LBPRGKRZSA-N 0 3 333.413 3.235 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000612174568 460561418 /nfs/dbraw/zinc/56/14/18/460561418.db2.gz IBRMZWFAJOHQMY-SFHVURJKSA-N 0 3 330.359 3.430 20 5 EGBDHN COc1ccc(NC(=O)CN(C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000026468298 453800649 /nfs/dbraw/zinc/80/06/49/453800649.db2.gz NOZQAGBZMBJIOP-CHWSQXEVSA-N 0 3 335.404 3.052 20 5 EGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000055405402 453981980 /nfs/dbraw/zinc/98/19/80/453981980.db2.gz VPOIISNMCDCCAI-NWDGAFQWSA-N 0 3 339.823 3.098 20 5 EGBDHN Cc1ccc(NC(=O)NCc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000043147475 454044587 /nfs/dbraw/zinc/04/45/87/454044587.db2.gz ZQFZZWCEGVISPJ-UHFFFAOYSA-N 0 3 342.399 3.287 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000056520226 454064277 /nfs/dbraw/zinc/06/42/77/454064277.db2.gz MGLITSRLVFSGSK-GXTWGEPZSA-N 0 3 334.420 3.145 20 5 EGBDHN C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H](C)O ZINC000077428757 454105222 /nfs/dbraw/zinc/10/52/22/454105222.db2.gz WIWOHAHQUHFSEU-NEPJUHHUSA-N 0 3 335.429 3.215 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCCC[C@@H]1C ZINC000045951592 454200357 /nfs/dbraw/zinc/20/03/57/454200357.db2.gz BFHRVKZYOPYPAU-UONOGXRCSA-N 0 3 334.420 3.288 20 5 EGBDHN COc1cccc([C@H](CNc2ccc([N+](=O)[O-])cc2F)N(C)C)c1 ZINC000046072854 454214389 /nfs/dbraw/zinc/21/43/89/454214389.db2.gz PLYHHMNMSSALMC-KRWDZBQOSA-N 0 3 333.363 3.457 20 5 EGBDHN C[C@@H]1CCCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000046381678 454247953 /nfs/dbraw/zinc/24/79/53/454247953.db2.gz DNMYVJPITHOPGC-LLVKDONJSA-N 0 3 340.811 3.102 20 5 EGBDHN CN1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000090092119 454278011 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COc1cc(CN2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000153174929 454767256 /nfs/dbraw/zinc/76/72/56/454767256.db2.gz DDBFMVOTQGFEOV-QWRGUYRKSA-N 0 3 342.342 3.437 20 5 EGBDHN CCc1cc(NCCN(C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000138707204 454796275 /nfs/dbraw/zinc/79/62/75/454796275.db2.gz RPTMSYBZFQDIQU-UHFFFAOYSA-N 0 3 341.415 3.120 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)C1CCCC1 ZINC000163130774 454825473 /nfs/dbraw/zinc/82/54/73/454825473.db2.gz HZIDWKOSLLAXJH-UHFFFAOYSA-N 0 3 334.420 3.241 20 5 EGBDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000144760932 454850296 /nfs/dbraw/zinc/85/02/96/454850296.db2.gz MISMKMAVYPCVOG-HOCLYGCPSA-N 0 3 333.432 3.112 20 5 EGBDHN C[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](N)c1ccccc1 ZINC000163554152 454855017 /nfs/dbraw/zinc/85/50/17/454855017.db2.gz XPBFZXHHURJIQB-IGCXYCKISA-N 0 3 327.384 3.108 20 5 EGBDHN C[C@H](NC(=O)[C@@H](C)[C@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000163553950 454855071 /nfs/dbraw/zinc/85/50/71/454855071.db2.gz XPBFZXHHURJIQB-DCGLDWPTSA-N 0 3 327.384 3.108 20 5 EGBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151391854 454978789 /nfs/dbraw/zinc/97/87/89/454978789.db2.gz TVMQWSBJQQOWCP-ZFWWWQNUSA-N 0 3 342.848 3.393 20 5 EGBDHN CCN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccoc1 ZINC000117338261 455083514 /nfs/dbraw/zinc/08/35/14/455083514.db2.gz QRYQWMFWFUZQDE-UHFFFAOYSA-N 0 3 345.355 3.008 20 5 EGBDHN CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1(c2ccccc2)CC1 ZINC000189318374 455176332 /nfs/dbraw/zinc/17/63/32/455176332.db2.gz UVHIRXZBEOJUFY-GOSISDBHSA-N 0 3 326.396 3.292 20 5 EGBDHN CCOc1ccc([C@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157456039 455196041 /nfs/dbraw/zinc/19/60/41/455196041.db2.gz LZOQQXICARZQEE-QGZVFWFLSA-N 0 3 330.388 3.027 20 5 EGBDHN COc1ccc(OCCN(C)Cc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000173490595 455292058 /nfs/dbraw/zinc/29/20/58/455292058.db2.gz BFTJECMTHZKOCJ-UHFFFAOYSA-N 0 3 334.347 3.253 20 5 EGBDHN O=[N+]([O-])c1ccc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)cc1 ZINC000265442935 455325279 /nfs/dbraw/zinc/32/52/79/455325279.db2.gz QQZWYOSOCONHDA-GOSISDBHSA-N 0 3 330.359 3.432 20 5 EGBDHN CC(C)OCCN1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267006725 455491365 /nfs/dbraw/zinc/49/13/65/455491365.db2.gz FIHZGEHLVWGHES-UHFFFAOYSA-N 0 3 325.384 3.035 20 5 EGBDHN C[C@H](NCc1ccc(Cn2cncn2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000192465005 455623873 /nfs/dbraw/zinc/62/38/73/455623873.db2.gz YWKMQVZTWSBBLW-AWEZNQCLSA-N 0 3 337.383 3.085 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCC2(CO)CCCC2)o1 ZINC000185807360 455624923 /nfs/dbraw/zinc/62/49/23/455624923.db2.gz SDDFGTIOMPVAAD-UHFFFAOYSA-N 0 3 330.384 3.497 20 5 EGBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])s1 ZINC000192472575 455626595 /nfs/dbraw/zinc/62/65/95/455626595.db2.gz PJSNUZWUCDBSLH-HNNXBMFYSA-N 0 3 346.456 3.400 20 5 EGBDHN Cc1ccc([C@@H](C)N[C@@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000271497630 455660392 /nfs/dbraw/zinc/66/03/92/455660392.db2.gz LRDLXAXCMDGEEE-CXAGYDPISA-N 0 3 332.375 3.297 20 5 EGBDHN CC[C@](C)(CCO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000268510698 455703476 /nfs/dbraw/zinc/70/34/76/455703476.db2.gz CLHQPRYJKDOVMV-MRXNPFEDSA-N 0 3 335.429 3.359 20 5 EGBDHN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCC[C@H](C)C1 ZINC000249717125 455769575 /nfs/dbraw/zinc/76/95/75/455769575.db2.gz JJRPWEGEHSJJEG-QWHCGFSZSA-N 0 3 346.431 3.012 20 5 EGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000272146511 455858329 /nfs/dbraw/zinc/85/83/29/455858329.db2.gz FNEASELJXJLAKR-NSHDSACASA-N 0 3 339.823 3.051 20 5 EGBDHN COC(=O)[C@H]1CC12CCN([C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000272273803 455897927 /nfs/dbraw/zinc/89/79/27/455897927.db2.gz DOLAUVNRHIGKEI-XJKSGUPXSA-N 0 3 332.400 3.239 20 5 EGBDHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000272373038 455929870 /nfs/dbraw/zinc/92/98/70/455929870.db2.gz AZEKULIIDQWXPM-DZGCQCFKSA-N 0 3 349.431 3.330 20 5 EGBDHN O=[N+]([O-])c1ccc(CNCCCOCCOCc2ccccc2)cc1 ZINC000272408570 455940567 /nfs/dbraw/zinc/94/05/67/455940567.db2.gz BQNNPYUCIMEOQM-UHFFFAOYSA-N 0 3 344.411 3.308 20 5 EGBDHN CC(C)c1ccc(C(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000188055056 455987510 /nfs/dbraw/zinc/98/75/10/455987510.db2.gz CGRUCOPKSBMIOI-RDJZCZTQSA-N 0 3 345.443 3.275 20 5 EGBDHN Cc1ccnc(NC2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301273935 456078392 /nfs/dbraw/zinc/07/83/92/456078392.db2.gz IFWUMLILLAQPBP-UHFFFAOYSA-N 0 3 326.400 3.375 20 5 EGBDHN C[C@H](NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000332636095 456103129 /nfs/dbraw/zinc/10/31/29/456103129.db2.gz YBVNPIAZJZLJAC-ILXRZTDVSA-N 0 3 348.447 3.075 20 5 EGBDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297359194 456198245 /nfs/dbraw/zinc/19/82/45/456198245.db2.gz BZAUWNGIKNKJBT-XJKSGUPXSA-N 0 3 341.415 3.016 20 5 EGBDHN CN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)[C@H]1CCCN(C)C1 ZINC000301853345 456232747 /nfs/dbraw/zinc/23/27/47/456232747.db2.gz GYPXOJIWXIUBJT-HNNXBMFYSA-N 0 3 326.400 3.187 20 5 EGBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)c1 ZINC000601135282 460724976 /nfs/dbraw/zinc/72/49/76/460724976.db2.gz DYDFERAFQIVLSM-SJORKVTESA-N 0 3 334.322 3.493 20 5 EGBDHN CC(=O)NCC[C@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000347666307 456291411 /nfs/dbraw/zinc/29/14/11/456291411.db2.gz RYCNZZSXBVMJIH-GDBMZVCRSA-N 0 3 333.432 3.202 20 5 EGBDHN CN1CCCC(C)(C)[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000343055247 456375144 /nfs/dbraw/zinc/37/51/44/456375144.db2.gz SJJQCTBAHSNTJI-NSHDSACASA-N 0 3 335.433 3.132 20 5 EGBDHN C[C@@](CO)(NC[C@@H]1C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000601150079 460732694 /nfs/dbraw/zinc/73/26/94/460732694.db2.gz UEVFJRCOEKPCNW-SNRMKQJTSA-N 0 3 326.396 3.196 20 5 EGBDHN COc1ccc(-c2ccc(CNC[C@@H]3CC[C@@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000353205226 456559016 /nfs/dbraw/zinc/55/90/16/456559016.db2.gz IAPVUFBMZPEQAD-CHWSQXEVSA-N 0 3 346.383 3.114 20 5 EGBDHN COc1cc2c(cc1CNCCc1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 ZINC000327388736 456706325 /nfs/dbraw/zinc/70/63/25/456706325.db2.gz QUTNSYHVWUANNU-CYBMUJFWSA-N 0 3 342.395 3.259 20 5 EGBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN(CCCCO)C2CC2)c1 ZINC000339005159 456895463 /nfs/dbraw/zinc/89/54/63/456895463.db2.gz NAXVYDOEKZSFSR-UHFFFAOYSA-N 0 3 332.322 3.351 20 5 EGBDHN C[C@@H]1[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCN1C ZINC000339064485 456923751 /nfs/dbraw/zinc/92/37/51/456923751.db2.gz HXXYWAKKHNGAPA-GHMZBOCLSA-N 0 3 331.338 3.138 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)c2ccccc2CN(C)C)cc1[N+](=O)[O-] ZINC000362876845 457138705 /nfs/dbraw/zinc/13/87/05/457138705.db2.gz RHWDJKWNVZSHQO-AWEZNQCLSA-N 0 3 341.411 3.456 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000331520172 457199181 /nfs/dbraw/zinc/19/91/81/457199181.db2.gz JMDCZISBZHZGAE-UONOGXRCSA-N 0 3 341.415 3.046 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C[C@@H]3CCCCC3(F)F)C2)nc1 ZINC000331581505 457211390 /nfs/dbraw/zinc/21/13/90/457211390.db2.gz XFFPEQWFVPNLJJ-QWHCGFSZSA-N 0 3 340.374 3.302 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](CN1CCCC1)c1ccccc1 ZINC000360880699 457403685 /nfs/dbraw/zinc/40/36/85/457403685.db2.gz AMVKXRSKAMNJGJ-MRXNPFEDSA-N 0 3 343.431 3.369 20 5 EGBDHN CCC[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000347509732 457475075 /nfs/dbraw/zinc/47/50/75/457475075.db2.gz AVKNACGQHWSWLW-MJGOQNOKSA-N 0 3 344.411 3.466 20 5 EGBDHN CCC[C@H](N[C@@H]1CCN(c2cnn(C)c2)C1)c1cccc([N+](=O)[O-])c1 ZINC000374576223 457664540 /nfs/dbraw/zinc/66/45/40/457664540.db2.gz OXSDKSHQSMYSLB-QAPCUYQASA-N 0 3 343.431 3.038 20 5 EGBDHN COc1ccc(-c2ccc(CN(C)CC3CC(O)C3)o2)c([N+](=O)[O-])c1 ZINC000443850551 457815742 /nfs/dbraw/zinc/81/57/42/457815742.db2.gz GNRASDMCNZHMSK-UHFFFAOYSA-N 0 3 346.383 3.066 20 5 EGBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000367934446 458000054 /nfs/dbraw/zinc/00/00/54/458000054.db2.gz IMZVBCRTIKKUNK-KDOFPFPSSA-N 0 3 343.427 3.251 20 5 EGBDHN Cn1cnc([N+](=O)[O-])c1CN1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411975339 458029109 /nfs/dbraw/zinc/02/91/09/458029109.db2.gz BNGNCFVMSFLCPG-HNNXBMFYSA-N 0 3 326.400 3.098 20 5 EGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000459669951 458442066 /nfs/dbraw/zinc/44/20/66/458442066.db2.gz GTVSPDSTHDRTDE-LBPRGKRZSA-N 0 3 331.420 3.121 20 5 EGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1nnc(C(C)(C)C)[nH]1 ZINC000459669951 458442069 /nfs/dbraw/zinc/44/20/69/458442069.db2.gz GTVSPDSTHDRTDE-LBPRGKRZSA-N 0 3 331.420 3.121 20 5 EGBDHN CCO[C@@H]1C[C@H](NC/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000468616166 458528397 /nfs/dbraw/zinc/52/83/97/458528397.db2.gz BDPBDJXTCZMQSW-ATCOBHSPSA-N 0 3 346.427 3.314 20 5 EGBDHN C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000439122017 458657581 /nfs/dbraw/zinc/65/75/81/458657581.db2.gz WMNSSFLUWOBDFG-DGCLKSJQSA-N 0 3 345.428 3.407 20 5 EGBDHN CS[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000432152390 458690912 /nfs/dbraw/zinc/69/09/12/458690912.db2.gz JMODQTPIYYKCHM-UONOGXRCSA-N 0 3 341.864 3.264 20 5 EGBDHN CCc1ccc(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000471821175 458738192 /nfs/dbraw/zinc/73/81/92/458738192.db2.gz JPGXUOMBBPUIBM-UONOGXRCSA-N 0 3 333.432 3.007 20 5 EGBDHN CC(C)c1ccc(CN(C)CCCNC(=O)C2CCC2)cc1[N+](=O)[O-] ZINC000432815365 458791668 /nfs/dbraw/zinc/79/16/68/458791668.db2.gz GBGCPJOWJVIMDQ-UHFFFAOYSA-N 0 3 347.459 3.456 20 5 EGBDHN COC(=O)[C@H]1CC[C@@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000432996752 458824244 /nfs/dbraw/zinc/82/42/44/458824244.db2.gz HXOCZERXPBNVTF-OZVIIMIRSA-N 0 3 332.400 3.249 20 5 EGBDHN COc1cc(C[NH2+]CCc2ccc3[nH]ccc3c2)c([N+](=O)[O-])cc1[O-] ZINC000441191147 458896624 /nfs/dbraw/zinc/89/66/24/458896624.db2.gz BBXTWVXIXYPHHF-UHFFFAOYSA-N 0 3 341.367 3.123 20 5 EGBDHN CC(C)C[C@@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000466664488 458911841 /nfs/dbraw/zinc/91/18/41/458911841.db2.gz LBEWBWVPAVBMOI-KRWDZBQOSA-N 0 3 333.432 3.458 20 5 EGBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000466818064 458924969 /nfs/dbraw/zinc/92/49/69/458924969.db2.gz XQWPVPGGYWBXCX-TVQRCGJNSA-N 0 3 340.221 3.252 20 5 EGBDHN C[C@H](CC(F)(F)F)N[C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000468053169 458999408 /nfs/dbraw/zinc/99/94/08/458999408.db2.gz WZTYZWSJPRQLEN-VHSXEESVSA-N 0 3 333.310 3.242 20 5 EGBDHN Cc1c([C@H](C)N[C@H](CO)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000557274361 459060108 /nfs/dbraw/zinc/06/01/08/459060108.db2.gz SFPOLJVIEZJILP-BBRMVZONSA-N 0 3 332.375 3.297 20 5 EGBDHN C[C@H](N[C@@H](COC(N)=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000496099007 459067208 /nfs/dbraw/zinc/06/72/08/459067208.db2.gz LBSCFUQQXXREEQ-XJKSGUPXSA-N 0 3 343.383 3.366 20 5 EGBDHN Cc1ccc(NC(=O)N2CCCN(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000520975108 459108980 /nfs/dbraw/zinc/10/89/80/459108980.db2.gz PABUZHWVUIWDED-UHFFFAOYSA-N 0 3 334.420 3.241 20 5 EGBDHN Cc1ccc([C@@H](C)NCC(C)(C)[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000595100010 459245543 /nfs/dbraw/zinc/24/55/43/459245543.db2.gz IBDGABBOGQYBGI-KDOFPFPSSA-N 0 3 336.432 3.122 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)C[C@H]2NCc3ccccc32)cc1[N+](=O)[O-] ZINC000595254984 459263154 /nfs/dbraw/zinc/26/31/54/459263154.db2.gz RENZUTPXMYXBSX-SUMWQHHRSA-N 0 3 339.395 3.315 20 5 EGBDHN CCCCN1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000522845831 459267486 /nfs/dbraw/zinc/26/74/86/459267486.db2.gz DFRSGZYRHOGUGX-HNNXBMFYSA-N 0 3 333.432 3.288 20 5 EGBDHN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000523527986 459312177 /nfs/dbraw/zinc/31/21/77/459312177.db2.gz CMCVBIYFOAWCTM-LSDHHAIUSA-N 0 3 347.459 3.109 20 5 EGBDHN C[C@@H](NC(=O)N[C@@H](C)CN1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595482650 459319650 /nfs/dbraw/zinc/31/96/50/459319650.db2.gz SYTBDKWRTKFIHY-LSDHHAIUSA-N 0 3 348.447 3.075 20 5 EGBDHN CCOc1ccc(NC(=O)CN(C)[C@@H]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000483117747 459340206 /nfs/dbraw/zinc/34/02/06/459340206.db2.gz YMVAMVVVOZBHBK-CYBMUJFWSA-N 0 3 349.431 3.443 20 5 EGBDHN COC[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000595684587 459395830 /nfs/dbraw/zinc/39/58/30/459395830.db2.gz PHDDISVWTKHMKK-SFHVURJKSA-N 0 3 330.384 3.123 20 5 EGBDHN C[C@@H]1CCN(CCNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000525288213 459441498 /nfs/dbraw/zinc/44/14/98/459441498.db2.gz FLOGRPXLOFEXSP-CQSZACIVSA-N 0 3 329.400 3.286 20 5 EGBDHN CCN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000591840784 459451868 /nfs/dbraw/zinc/45/18/68/459451868.db2.gz ONNWFUYGDDTWII-NSHDSACASA-N 0 3 343.221 3.216 20 5 EGBDHN CC(C)[C@@H](CO)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000583404412 459531758 /nfs/dbraw/zinc/53/17/58/459531758.db2.gz RXQNULYHGVOVHC-CYBMUJFWSA-N 0 3 335.429 3.072 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC2(C[C@@H]1C)CCOCC2 ZINC000592181057 459544870 /nfs/dbraw/zinc/54/48/70/459544870.db2.gz BCYUUVMKBXBTRC-AWEZNQCLSA-N 0 3 334.416 3.385 20 5 EGBDHN C[C@H]1Oc2ccccc2[C@H]1NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573083751 459622734 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3.346 20 5 EGBDHN CC([C@H](OC(=O)[C@@H]1CCCCS1)c1ccccc1F)[N+](=O)[O-] ZINC000845873300 1321747168 /nfs/dbraw/zinc/74/71/68/1321747168.db2.gz CHUMWORXIFOYJK-SWHYSGLUSA-N 0 3 327.377 3.361 20 5 EGBDHN CC([C@@H](OC(=O)[C@H]1CC1(Cl)Cl)c1ccccc1F)[N+](=O)[O-] ZINC000845874264 1321747972 /nfs/dbraw/zinc/74/79/72/1321747972.db2.gz YQGYSECEPHCVPE-BCMRRPTOSA-N 0 3 336.146 3.269 20 5 EGBDHN CO[C@H](CC(C)C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876437 1321748858 /nfs/dbraw/zinc/74/88/58/1321748858.db2.gz FORJXTOJYVLVGG-GLQYFDAESA-N 0 3 327.352 3.136 20 5 EGBDHN CC([C@H](OC(=O)C1CCSCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875538 1321748893 /nfs/dbraw/zinc/74/88/93/1321748893.db2.gz NHELCQDVNNRLPI-YGRLFVJLSA-N 0 3 327.377 3.218 20 5 EGBDHN COC(=O)Cc1ccccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000848574057 1321978790 /nfs/dbraw/zinc/97/87/90/1321978790.db2.gz OIRINPVEAWCFRF-AWEZNQCLSA-N 0 3 342.395 3.470 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cc(C2CC2)nn1C ZINC000922947862 1322656231 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Cc1c(CN2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cccc1[N+](=O)[O-] ZINC000179514826 233125839 /nfs/dbraw/zinc/12/58/39/233125839.db2.gz IBHJIJOFYMFAMH-OAHLLOKOSA-N 0 3 341.415 3.278 20 5 EGBDHN CCCN(CCN1CCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000353150654 283251109 /nfs/dbraw/zinc/25/11/09/283251109.db2.gz SJXVBTMLLNLZBN-UHFFFAOYSA-N 0 3 345.447 3.169 20 5 EGBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000023738315 212392688 /nfs/dbraw/zinc/39/26/88/212392688.db2.gz RFBNMOYBLTYIHA-GOSISDBHSA-N 0 3 339.395 3.162 20 5 EGBDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000236721971 242334893 /nfs/dbraw/zinc/33/48/93/242334893.db2.gz WUAQKMQYIKEOLS-CQSZACIVSA-N 0 3 335.404 3.084 20 5 EGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H]1CN1CCCC1 ZINC000263764047 284625671 /nfs/dbraw/zinc/62/56/71/284625671.db2.gz DDGNCLDHWQPDJR-HNNXBMFYSA-N 0 3 343.383 3.041 20 5 EGBDHN CCC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000091858087 218078420 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EGBDHN Cc1cc(NC(=O)NC[C@H](C)N2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000338357487 141106252 /nfs/dbraw/zinc/10/62/52/141106252.db2.gz OVLPWNJQDMVFEF-KGLIPLIRSA-N 0 3 334.420 3.288 20 5 EGBDHN C[C@@H](NCCNC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173412599 144041570 /nfs/dbraw/zinc/04/15/70/144041570.db2.gz KIFYPQVDHAXVFP-GFCCVEGCSA-N 0 3 347.802 3.329 20 5 EGBDHN C[C@@H](NCc1ccc(Cn2cncn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178641402 144073771 /nfs/dbraw/zinc/07/37/71/144073771.db2.gz KLKBMEQSZADJTN-CQSZACIVSA-N 0 3 337.383 3.085 20 5 EGBDHN COc1ccc(-c2ccc(CNCCC3(O)CCC3)o2)c([N+](=O)[O-])c1 ZINC000341337482 155239006 /nfs/dbraw/zinc/23/90/06/155239006.db2.gz XFWKNQYFUZLEQK-UHFFFAOYSA-N 0 3 346.383 3.258 20 5 EGBDHN C[S@](=O)CCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000116918281 152081383 /nfs/dbraw/zinc/08/13/83/152081383.db2.gz HDUMCIPTYTXYLG-JOCHJYFZSA-N 0 3 338.454 3.182 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)Cc1ccccc1)CCC2 ZINC000192833845 153261819 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347.459 3.012 20 5 EGBDHN C[C@@H](N[C@@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168111401 454925192 /nfs/dbraw/zinc/92/51/92/454925192.db2.gz KDMLMJUCCRBEKC-TZMCWYRMSA-N 0 3 330.363 3.058 20 5 EGBDHN COc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000168964175 454928676 /nfs/dbraw/zinc/92/86/76/454928676.db2.gz DCZGCSMRZLVQPY-XYPHTWIQSA-N 0 3 332.400 3.041 20 5 EGBDHN Cc1ccc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000182330431 455489903 /nfs/dbraw/zinc/48/99/03/455489903.db2.gz CRJARYUYVYYSLI-CQSZACIVSA-N 0 3 339.395 3.143 20 5 EGBDHN COC(=O)[C@@H](C)CN(C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000114063781 454944755 /nfs/dbraw/zinc/94/47/55/454944755.db2.gz MAVSTMBREPVBNI-ZDUSSCGKSA-N 0 3 339.391 3.187 20 5 EGBDHN CN(C)[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000128058050 455021818 /nfs/dbraw/zinc/02/18/18/455021818.db2.gz FYYLNJREMUDLHW-MRXNPFEDSA-N 0 3 347.802 3.281 20 5 EGBDHN CCN(CC)C(=O)C1(NCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000118847357 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EGBDHN Cc1cccc(C[C@H](CO)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000191599502 455502240 /nfs/dbraw/zinc/50/22/40/455502240.db2.gz SQIAVWQABOCPSN-MAUKXSAKSA-N 0 3 328.412 3.466 20 5 EGBDHN COC(=O)c1ccccc1OCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182428398 455512121 /nfs/dbraw/zinc/51/21/21/455512121.db2.gz JTWBUKRRBAIIMF-CYBMUJFWSA-N 0 3 344.367 3.111 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](C)C1CCCCC1 ZINC000182691141 455569562 /nfs/dbraw/zinc/56/95/62/455569562.db2.gz YTSQNSLYVQDPRM-GFCCVEGCSA-N 0 3 335.404 3.100 20 5 EGBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000271796128 455763218 /nfs/dbraw/zinc/76/32/18/455763218.db2.gz KBGRGPAFSQNYFX-OZAJXLCCSA-N 0 3 348.424 3.062 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000249774071 455775410 /nfs/dbraw/zinc/77/54/10/455775410.db2.gz MGLITSRLVFSGSK-TZMCWYRMSA-N 0 3 334.420 3.145 20 5 EGBDHN Cc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000187251367 455888345 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EGBDHN COC[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)OC ZINC000272684735 456038825 /nfs/dbraw/zinc/03/88/25/456038825.db2.gz NYDYRAQBJXBPME-CQSZACIVSA-N 0 3 336.413 3.074 20 5 EGBDHN COc1ccccc1[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000221949122 456044957 /nfs/dbraw/zinc/04/49/57/456044957.db2.gz RGARDTOEAQGRNH-CRAIPNDOSA-N 0 3 342.395 3.126 20 5 EGBDHN Cc1cc(NCCNC(=O)C(C)(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000272880095 456098148 /nfs/dbraw/zinc/09/81/48/456098148.db2.gz VJQGVZKBRIRXLJ-UHFFFAOYSA-N 0 3 330.388 3.026 20 5 EGBDHN Cc1cc(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301424047 456112294 /nfs/dbraw/zinc/11/22/94/456112294.db2.gz GJHANTVZLCAGAZ-QGZVFWFLSA-N 0 3 340.427 3.399 20 5 EGBDHN C[C@@H]1CCCN(CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000301557605 456145786 /nfs/dbraw/zinc/14/57/86/456145786.db2.gz XCMMXFOIKIVVQY-LLVKDONJSA-N 0 3 329.347 3.340 20 5 EGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000301604569 456159764 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Cc1c(C(=O)N[C@H](CN(C)C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000290498868 456344870 /nfs/dbraw/zinc/34/48/70/456344870.db2.gz MVIRONKSEXZJPY-MRXNPFEDSA-N 0 3 345.374 3.075 20 5 EGBDHN C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000281913222 456359414 /nfs/dbraw/zinc/35/94/14/456359414.db2.gz NNOBBKLHYPDGIA-OCCSQVGLSA-N 0 3 332.429 3.374 20 5 EGBDHN O=[N+]([O-])c1ccc(NCC23CCCN2CCC3)c(Br)c1 ZINC000343056306 456376285 /nfs/dbraw/zinc/37/62/85/456376285.db2.gz WXSBDRXOCYPIHQ-UHFFFAOYSA-N 0 3 340.221 3.398 20 5 EGBDHN CCO[C@H]1COCC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353174062 456539079 /nfs/dbraw/zinc/53/90/79/456539079.db2.gz DSZUHKYTEHISHX-AEFFLSMTSA-N 0 3 346.383 3.138 20 5 EGBDHN CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H](C)OC ZINC000291286257 456591825 /nfs/dbraw/zinc/59/18/25/456591825.db2.gz QSGUPNDRYLUAFG-CYBMUJFWSA-N 0 3 333.388 3.149 20 5 EGBDHN CCN(Cc1ccc(CN(C)C)cc1)c1ccc([N+](=O)[O-])c(C)n1 ZINC000348351224 456641919 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O=C(CCN1CCC[C@@H]1c1ccc[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000283279115 456750521 /nfs/dbraw/zinc/75/05/21/456750521.db2.gz LXDRYZKTNDEXFZ-OAHLLOKOSA-N 0 3 328.372 3.089 20 5 EGBDHN CCN(Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@H](C)O ZINC000348710635 456824805 /nfs/dbraw/zinc/82/48/05/456824805.db2.gz PBACOOCCHACWAP-LBPRGKRZSA-N 0 3 334.372 3.066 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H](O)C(F)F)s1 ZINC000344777371 456858119 /nfs/dbraw/zinc/85/81/19/456858119.db2.gz QNFVOHUDFSYXPC-GFCCVEGCSA-N 0 3 328.340 3.039 20 5 EGBDHN COc1ccc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000339051106 456916908 /nfs/dbraw/zinc/91/69/08/456916908.db2.gz DCZGCSMRZLVQPY-IAOVAPTHSA-N 0 3 332.400 3.041 20 5 EGBDHN COc1ccc(-c2ccc(CN3CC[C@@H](C)[C@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000349407270 456962986 /nfs/dbraw/zinc/96/29/86/456962986.db2.gz NDLGYEWLDILTOZ-SJKOYZFVSA-N 0 3 346.383 3.066 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H]3CC[C@H](O)[C@@H]3C2)o1 ZINC000346323216 457033379 /nfs/dbraw/zinc/03/33/79/457033379.db2.gz FVBKYPAMNUAZEQ-MJEQTWJJSA-N 0 3 328.368 3.058 20 5 EGBDHN C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)N1C ZINC000354447442 457228401 /nfs/dbraw/zinc/22/84/01/457228401.db2.gz NUQWTMVRBMIZKU-KBPBESRZSA-N 0 3 329.400 3.379 20 5 EGBDHN CC[C@@H](NCCNC(=O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000360139406 457271163 /nfs/dbraw/zinc/27/11/63/457271163.db2.gz KYCRMCMHQSJOJS-GOSISDBHSA-N 0 3 341.411 3.374 20 5 EGBDHN CC(C)c1ccc(C(=O)NC[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000347363244 457376146 /nfs/dbraw/zinc/37/61/46/457376146.db2.gz RPWCTGDPFPTVOT-MRXNPFEDSA-N 0 3 345.443 3.465 20 5 EGBDHN Cc1cnc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000360864272 457390443 /nfs/dbraw/zinc/39/04/43/457390443.db2.gz LLEYOMRQDAVWOD-ZBFHGGJFSA-N 0 3 326.400 3.231 20 5 EGBDHN Cc1nc(S[C@@H]2CCCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000425280517 457480967 /nfs/dbraw/zinc/48/09/67/457480967.db2.gz KGRKWMCKFAASRE-OAHLLOKOSA-N 0 3 344.440 3.450 20 5 EGBDHN Cc1nn(C)c(S[C@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000425286763 457482884 /nfs/dbraw/zinc/48/28/84/457482884.db2.gz UYUZNHOOMJWBMN-HNNXBMFYSA-N 0 3 346.456 3.393 20 5 EGBDHN CCCCN(CCCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425457616 457561398 /nfs/dbraw/zinc/56/13/98/457561398.db2.gz LLAJDJSOWJJQCF-UHFFFAOYSA-N 0 3 345.237 3.342 20 5 EGBDHN C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H](C)C1 ZINC000357838495 457706972 /nfs/dbraw/zinc/70/69/72/457706972.db2.gz LEPKNJXWSRMYID-OLZOCXBDSA-N 0 3 345.399 3.191 20 5 EGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1)N(C)C ZINC000357875114 457720493 /nfs/dbraw/zinc/72/04/93/457720493.db2.gz RRJVPRKJONIGNJ-WBMJQRKESA-N 0 3 347.440 3.386 20 5 EGBDHN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1C ZINC000444660131 457929852 /nfs/dbraw/zinc/92/98/52/457929852.db2.gz RMMNXJWUWMBXRP-PBHICJAKSA-N 0 3 333.432 3.458 20 5 EGBDHN CCN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCC[C@H]1C ZINC000444674119 457935894 /nfs/dbraw/zinc/93/58/94/457935894.db2.gz JLLOPJXPRSFPLW-RHSMWYFYSA-N 0 3 345.443 3.385 20 5 EGBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000367934448 457999654 /nfs/dbraw/zinc/99/96/54/457999654.db2.gz IMZVBCRTIKKUNK-RDTXWAMCSA-N 0 3 343.427 3.251 20 5 EGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H](CO)CC(F)F ZINC000429461693 458335039 /nfs/dbraw/zinc/33/50/39/458335039.db2.gz LWDFJVMLOUSEOK-GHMZBOCLSA-N 0 3 334.388 3.071 20 5 EGBDHN COc1ccc(CN(C)C[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000459782042 458477602 /nfs/dbraw/zinc/47/76/02/458477602.db2.gz XDOCKKDRCABYHU-GFCCVEGCSA-N 0 3 338.404 3.013 20 5 EGBDHN COc1ccc(NC(=O)CN(C)C2CCC(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000438508021 458587623 /nfs/dbraw/zinc/58/76/23/458587623.db2.gz XIHGZXHVANSGSD-UHFFFAOYSA-N 0 3 349.431 3.443 20 5 EGBDHN Cc1c([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cnn1C(C)C ZINC000530330124 458749405 /nfs/dbraw/zinc/74/94/05/458749405.db2.gz HTVRDSISAWJNOV-ZDUSSCGKSA-N 0 3 332.404 3.410 20 5 EGBDHN CC(C)(O)CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000531415844 458915174 /nfs/dbraw/zinc/91/51/74/458915174.db2.gz SETGHRLALXZOHK-UHFFFAOYSA-N 0 3 342.823 3.000 20 5 EGBDHN CC[C@@H](CO)N(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000467187499 458955576 /nfs/dbraw/zinc/95/55/76/458955576.db2.gz RYYQAFOCOZYKPL-KRWDZBQOSA-N 0 3 344.411 3.247 20 5 EGBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1NC(=O)OC(C)(C)C ZINC000495904145 458999261 /nfs/dbraw/zinc/99/92/61/458999261.db2.gz OEZBXMXLVZYDAE-LLVKDONJSA-N 0 3 338.360 3.164 20 5 EGBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000556895590 459029975 /nfs/dbraw/zinc/02/99/75/459029975.db2.gz VAFSQTFJHAMVHW-VTSXBNNFSA-N 0 3 326.396 3.143 20 5 EGBDHN Cc1cccc(C(=O)NCCN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000532447797 459089690 /nfs/dbraw/zinc/08/96/90/459089690.db2.gz PIWAIMJQIZKOOA-HNNXBMFYSA-N 0 3 341.411 3.292 20 5 EGBDHN O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CCCN3CCCC[C@@H]23)s1 ZINC000594597610 459103341 /nfs/dbraw/zinc/10/33/41/459103341.db2.gz DDGKPOZNVXUDPZ-NEPJUHHUSA-N 0 3 333.417 3.028 20 5 EGBDHN Cc1c(NC(=O)N2CCCN(C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000557776398 459107310 /nfs/dbraw/zinc/10/73/10/459107310.db2.gz QHDIZARZPATCSH-UHFFFAOYSA-N 0 3 334.420 3.241 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000595037089 459224215 /nfs/dbraw/zinc/22/42/15/459224215.db2.gz BKUVUEGERZBYAE-IMSIIYSGSA-N 0 3 348.321 3.100 20 5 EGBDHN Cc1c([C@H](C)NCC(C)(C)[C@]2(O)CCCOC2)cccc1[N+](=O)[O-] ZINC000595099952 459246102 /nfs/dbraw/zinc/24/61/02/459246102.db2.gz HHKWPJGEXPMANA-KSSFIOAISA-N 0 3 336.432 3.122 20 5 EGBDHN Cc1ccccc1C(C)(C)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000559326166 459251770 /nfs/dbraw/zinc/25/17/70/459251770.db2.gz HSPBNVNQRMXZDZ-INIZCTEOSA-N 0 3 344.411 3.168 20 5 EGBDHN C[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(F)(F)F ZINC000591265412 459343491 /nfs/dbraw/zinc/34/34/91/459343491.db2.gz ZPZQLOHLZHCACB-SECBINFHSA-N 0 3 334.294 3.044 20 5 EGBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000541119981 459429639 /nfs/dbraw/zinc/42/96/39/459429639.db2.gz NILYQVHHRBYJTN-CZUORRHYSA-N 0 3 340.807 3.460 20 5 EGBDHN CC[C@H](NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000595766481 459432386 /nfs/dbraw/zinc/43/23/86/459432386.db2.gz WICHXYPTANATLX-NSHDSACASA-N 0 3 330.331 3.483 20 5 EGBDHN Cc1cc(NC[C@H](CCO)CC(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000541189980 459433499 /nfs/dbraw/zinc/43/34/99/459433499.db2.gz NCZOEZCSBNYQHW-CQSZACIVSA-N 0 3 331.416 3.330 20 5 EGBDHN CCN(Cc1ccc(C)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541282554 459439968 /nfs/dbraw/zinc/43/99/68/459439968.db2.gz NSLWHRIUGNVSID-KRWDZBQOSA-N 0 3 344.411 3.165 20 5 EGBDHN CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485416715 459453732 /nfs/dbraw/zinc/45/37/32/459453732.db2.gz OVSMUHVWIZYZDB-UHFFFAOYSA-N 0 3 344.390 3.326 20 5 EGBDHN COc1ccc(CNCCC(=O)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000569568162 459472787 /nfs/dbraw/zinc/47/27/87/459472787.db2.gz GDLCFRAPSAHELH-UHFFFAOYSA-N 0 3 343.383 3.030 20 5 EGBDHN CN1CCC[C@@H](CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596121241 459527602 /nfs/dbraw/zinc/52/76/02/459527602.db2.gz YIWWVWIHYCTJNM-JTQLQIEISA-N 0 3 328.210 3.111 20 5 EGBDHN CCN1CCC(Nc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596063092 459506201 /nfs/dbraw/zinc/50/62/01/459506201.db2.gz RBSDZMUIIXFMSZ-UHFFFAOYSA-N 0 3 328.210 3.254 20 5 EGBDHN CC1CC[NH+](C2CCC(Nc3cc[n-]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC000596173609 459548299 /nfs/dbraw/zinc/54/82/99/459548299.db2.gz YFKQFNXKDGWLDM-UHFFFAOYSA-N 0 3 334.420 3.150 20 5 EGBDHN C[C@H]1CN(CCCNc2ccc(C(F)F)cc2[N+](=O)[O-])CCCO1 ZINC000596207833 459560873 /nfs/dbraw/zinc/56/08/73/459560873.db2.gz GJDSGHPFWUWJQN-LBPRGKRZSA-N 0 3 343.374 3.445 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000584271578 459695347 /nfs/dbraw/zinc/69/53/47/459695347.db2.gz URAXVVSUQHQMTM-SWLSCSKDSA-N 0 3 343.349 3.198 20 5 EGBDHN COC(=O)c1ccc(OC[C@@H]2CCCCN2C(C)C)c([N+](=O)[O-])c1 ZINC000573666111 459713555 /nfs/dbraw/zinc/71/35/55/459713555.db2.gz WKAGFRZZTAEHKF-AWEZNQCLSA-N 0 3 336.388 3.023 20 5 EGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593014229 459739407 /nfs/dbraw/zinc/73/94/07/459739407.db2.gz XKHGQDLLSRLPDL-RYUDHWBXSA-N 0 3 332.278 3.281 20 5 EGBDHN CC[C@@H]1CO[C@@H](CC)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000593058822 459759589 /nfs/dbraw/zinc/75/95/89/459759589.db2.gz PBCDVKHDXLWWOQ-ZBFHGGJFSA-N 0 3 349.431 3.121 20 5 EGBDHN CC(C)CC(C)(C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566113404 459807668 /nfs/dbraw/zinc/80/76/68/459807668.db2.gz YYMDAOZZKGNDBJ-UHFFFAOYSA-N 0 3 342.461 3.030 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000598262887 459842932 /nfs/dbraw/zinc/84/29/32/459842932.db2.gz NHXAEQMJKDBDLF-OAHLLOKOSA-N 0 3 333.432 3.062 20 5 EGBDHN O=[N+]([O-])c1ncccc1N1CCCN(CCCc2ccccc2)CC1 ZINC000608779502 459881902 /nfs/dbraw/zinc/88/19/02/459881902.db2.gz WRWWAKWQZQLOGU-UHFFFAOYSA-N 0 3 340.427 3.135 20 5 EGBDHN O=[N+]([O-])c1ncccc1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000588072503 459908257 /nfs/dbraw/zinc/90/82/57/459908257.db2.gz UAXMVXJQVFZRQE-IBGZPJMESA-N 0 3 338.411 3.092 20 5 EGBDHN C[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)N(C)C1CC1 ZINC000593705130 459958352 /nfs/dbraw/zinc/95/83/52/459958352.db2.gz NPJCNNNHQBRXJG-QMTHXVAHSA-N 0 3 331.338 3.271 20 5 EGBDHN CN1CCC(N(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000609566648 459984227 /nfs/dbraw/zinc/98/42/27/459984227.db2.gz AEYWFNKTIIBBPP-UHFFFAOYSA-N 0 3 339.395 3.336 20 5 EGBDHN O=[N+]([O-])c1sc(CNCCc2cscn2)cc1Br ZINC000602556531 459995353 /nfs/dbraw/zinc/99/53/53/459995353.db2.gz RMNCAPUNEZCOBC-UHFFFAOYSA-N 0 3 348.247 3.208 20 5 EGBDHN COCCC1(CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602569183 460001311 /nfs/dbraw/zinc/00/13/11/460001311.db2.gz OTPSLPFVPONKHL-UHFFFAOYSA-N 0 3 349.250 3.325 20 5 EGBDHN O=[N+]([O-])c1sc(CNCCCOC(F)F)cc1Br ZINC000602658057 460046785 /nfs/dbraw/zinc/04/67/85/460046785.db2.gz HYUAYPJLZPTASF-UHFFFAOYSA-N 0 3 345.165 3.138 20 5 EGBDHN CN(C)[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000602586661 460012180 /nfs/dbraw/zinc/01/21/80/460012180.db2.gz LZAUWECSNBJQQI-MRXNPFEDSA-N 0 3 340.383 3.129 20 5 EGBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000609877658 460032609 /nfs/dbraw/zinc/03/26/09/460032609.db2.gz OETMHFUGTIEEKI-HNNXBMFYSA-N 0 3 347.459 3.497 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@]2(CCN(C)C2)C1 ZINC000597710113 460035026 /nfs/dbraw/zinc/03/50/26/460035026.db2.gz HAISDBBBHKSTHD-LJQANCHMSA-N 0 3 345.443 3.078 20 5 EGBDHN C[C@@H]1CCC[C@@]1(O)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602677083 460059960 /nfs/dbraw/zinc/05/99/60/460059960.db2.gz RXNOJFZIOZTVOE-PRHODGIISA-N 0 3 349.250 3.060 20 5 EGBDHN O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H]3[C@H]3CCCOC3)nc2c1 ZINC000602703022 460074653 /nfs/dbraw/zinc/07/46/53/460074653.db2.gz XHHMFHQXXNUAQG-SWLSCSKDSA-N 0 3 331.372 3.127 20 5 EGBDHN CCC[C@@H](NCc1ccc(CC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000589344902 460077048 /nfs/dbraw/zinc/07/70/48/460077048.db2.gz ZBSUYLSEXPUIHA-GOSISDBHSA-N 0 3 341.411 3.254 20 5 EGBDHN Cc1c(NC(=O)N[C@@H]2CCCN3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594056437 460077730 /nfs/dbraw/zinc/07/77/30/460077730.db2.gz CLPYKNLHVTVQJP-GDBMZVCRSA-N 0 3 332.404 3.042 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594075432 460089867 /nfs/dbraw/zinc/08/98/67/460089867.db2.gz XAAHTRKDOKCIAL-GDBMZVCRSA-N 0 3 346.431 3.350 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3C[C@@H](O)C3)o2)c(Cl)c1 ZINC000599008250 460125705 /nfs/dbraw/zinc/12/57/05/460125705.db2.gz XFJFQVXCCPELIC-KLPPZKSPSA-N 0 3 336.775 3.369 20 5 EGBDHN O=C(N[C@@H]1CCCN2CCCC[C@@H]12)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000594199301 460147044 /nfs/dbraw/zinc/14/70/44/460147044.db2.gz JKPJJDILEPNAPI-CABCVRRESA-N 0 3 343.383 3.088 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@H]2CCCN2CC(F)F)cc1[N+](=O)[O-] ZINC000599066128 460148625 /nfs/dbraw/zinc/14/86/25/460148625.db2.gz QPGPGGZYLLRMGA-TZMCWYRMSA-N 0 3 327.375 3.283 20 5 EGBDHN O=C1Nc2ccccc2[C@@]12CCN(C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000614660638 460196582 /nfs/dbraw/zinc/19/65/82/460196582.db2.gz YTJROTHCFOGJBW-BPJPHKDRSA-N 0 3 349.390 3.204 20 5 EGBDHN CC[C@@H](CN1CCCC1)NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000615243504 460298632 /nfs/dbraw/zinc/29/86/32/460298632.db2.gz YNJXUJQASOMHCK-HNNXBMFYSA-N 0 3 333.432 3.322 20 5 EGBDHN CC(C)[C@H]1c2ccccc2CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000611185350 460303647 /nfs/dbraw/zinc/30/36/47/460303647.db2.gz GBKIONSMVVAUOI-IBGZPJMESA-N 0 3 341.411 3.012 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000611350473 460342815 /nfs/dbraw/zinc/34/28/15/460342815.db2.gz NMLMXFBJMBKJQU-JKSUJKDBSA-N 0 3 334.416 3.112 20 5 EGBDHN CN(CCOc1ccc(F)cc1)CCOc1ccccc1[N+](=O)[O-] ZINC000603836701 460344933 /nfs/dbraw/zinc/34/49/33/460344933.db2.gz GFNZVHDOJXFQNC-UHFFFAOYSA-N 0 3 334.347 3.124 20 5 EGBDHN COc1ccc([C@H](CNc2cccnc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000603837347 460345881 /nfs/dbraw/zinc/34/58/81/460345881.db2.gz LCCTULJTLQNUSI-KRWDZBQOSA-N 0 3 342.399 3.247 20 5 EGBDHN Cc1ccccc1CN1CCCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603850471 460347597 /nfs/dbraw/zinc/34/75/97/460347597.db2.gz INZDBEGQJGRSMP-UHFFFAOYSA-N 0 3 326.400 3.011 20 5 EGBDHN Cc1c(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000603864379 460350641 /nfs/dbraw/zinc/35/06/41/460350641.db2.gz BPUIQROFXQYRKD-ROUUACIJSA-N 0 3 337.423 3.471 20 5 EGBDHN CC[C@H](CN1CCCC1)NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000616119280 460477170 /nfs/dbraw/zinc/47/71/70/460477170.db2.gz XTARVDYTTXZQAT-CQSZACIVSA-N 0 3 334.420 3.208 20 5 EGBDHN CCOc1cc(CN[C@H](CO)[C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000617221172 460778316 /nfs/dbraw/zinc/77/83/16/460778316.db2.gz CTFJNUTUZCASAQ-WMLDXEAASA-N 0 3 344.411 3.248 20 5 EGBDHN Cc1ncc([C@H](C)N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000601298351 460779643 /nfs/dbraw/zinc/77/96/43/460779643.db2.gz MWFASDHKVNOPOU-QWRGUYRKSA-N 0 3 348.428 3.428 20 5 EGBDHN C[C@H](C(=O)N1CCN(C2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617750215 460965554 /nfs/dbraw/zinc/96/55/54/460965554.db2.gz NIEOMSVITKCFKO-HNNXBMFYSA-N 0 3 345.443 3.175 20 5 EGBDHN C[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000067706686 524422130 /nfs/dbraw/zinc/42/21/30/524422130.db2.gz LYWQHKAOJNGJJO-CABCVRRESA-N 0 3 348.447 3.075 20 5 EGBDHN CCOc1ccc([C@@H](C)NC[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000153626203 528595862 /nfs/dbraw/zinc/59/58/62/528595862.db2.gz XJQCEHYOCDZTDA-RHSMWYFYSA-N 0 3 344.411 3.248 20 5 EGBDHN CCOc1ccc([C@H](C)NCC[S@@](=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000153845068 528606990 /nfs/dbraw/zinc/60/69/90/528606990.db2.gz MLLQDTPSRAMLPV-MYODQAERSA-N 0 3 342.461 3.191 20 5 EGBDHN CC(C)Oc1ccccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000731678060 575199450 /nfs/dbraw/zinc/19/94/50/575199450.db2.gz GAJVCZOOIZKCJG-QGZVFWFLSA-N 0 3 330.384 3.205 20 5 EGBDHN O=[N+]([O-])c1cc(CN[C@H](CO)C2CC2)ccc1Oc1ccc(F)cc1 ZINC000734160439 575449600 /nfs/dbraw/zinc/44/96/00/575449600.db2.gz AEFGGNCDFCUPDJ-MRXNPFEDSA-N 0 3 346.358 3.387 20 5 EGBDHN CC(=O)OC1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000127028411 1293550778 /nfs/dbraw/zinc/55/07/78/1293550778.db2.gz XUAAPTYIVDBNQD-UHFFFAOYSA-N 0 3 344.367 3.382 20 5 EGBDHN CCOC(=O)N[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000178643773 1294748856 /nfs/dbraw/zinc/74/88/56/1294748856.db2.gz MXJNERSYNMNZSF-ZFWWWQNUSA-N 0 3 337.420 3.406 20 5 EGBDHN CC[C@H](C)NC(=O)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872029650 1296676084 /nfs/dbraw/zinc/67/60/84/1296676084.db2.gz YXEOFYKJRITPKZ-RYUDHWBXSA-N 0 3 339.461 3.272 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOC[C@H]1CCOC1 ZINC000872036510 1296688006 /nfs/dbraw/zinc/68/80/06/1296688006.db2.gz SVQGORMUJUTASP-OLZOCXBDSA-N 0 3 340.445 3.020 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)[C@@H](CO)SC ZINC000872038457 1296690168 /nfs/dbraw/zinc/69/01/68/1296690168.db2.gz NUZMVSNHMUREPW-IMSIIYSGSA-N 0 3 330.475 3.080 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC(=O)NC(C)(C)C ZINC000872046913 1296696083 /nfs/dbraw/zinc/69/60/83/1296696083.db2.gz OAZWLFKVNLFQDW-LLVKDONJSA-N 0 3 339.461 3.272 20 5 EGBDHN CC(C)(C)OC(=O)NC[C@@](C)(NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000305217137 1296999526 /nfs/dbraw/zinc/99/95/26/1296999526.db2.gz SABGYXGRLIIQME-GOSISDBHSA-N 0 3 349.431 3.378 20 5 EGBDHN Cc1ccc([C@H](C)N[C@H](C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000310056289 1297085695 /nfs/dbraw/zinc/08/56/95/1297085695.db2.gz KMZNSIQUKDPWIC-OLZOCXBDSA-N 0 3 337.420 3.467 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000873077663 1297263262 /nfs/dbraw/zinc/26/32/62/1297263262.db2.gz CPIUFIRUEWQUQN-MRXNPFEDSA-N 0 3 345.443 3.092 20 5 EGBDHN Cc1nn(CN(C)C[C@H](C)c2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000749945289 1299309063 /nfs/dbraw/zinc/30/90/63/1299309063.db2.gz HDMVVFGLHDZVGU-ZDUSSCGKSA-N 0 3 339.399 3.341 20 5 EGBDHN COc1ccc2c(c1)CCCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000750054896 1299332439 /nfs/dbraw/zinc/33/24/39/1299332439.db2.gz YVYMINZRRDYDFU-LJQANCHMSA-N 0 3 342.395 3.085 20 5 EGBDHN CC[C@H](C)CN(CC)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000752792245 1299795540 /nfs/dbraw/zinc/79/55/40/1299795540.db2.gz LMETXPZHGKYMGH-AWEZNQCLSA-N 0 3 334.420 3.162 20 5 EGBDHN CC1C[C@H]2CC[C@@H](C1)N2Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000878991917 1300305755 /nfs/dbraw/zinc/30/57/55/1300305755.db2.gz GSVCHRIZVZVDKH-YHWZYXNKSA-N 0 3 328.372 3.408 20 5 EGBDHN Cc1c([C@@H](C)N[C@@H](C)CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000756076230 1300435232 /nfs/dbraw/zinc/43/52/32/1300435232.db2.gz FAYOYPMQSUNFGD-WCQYABFASA-N 0 3 337.420 3.467 20 5 EGBDHN Cc1c(NC(=O)[C@H](C)N2C[C@@H]3CC=CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000879529005 1300584319 /nfs/dbraw/zinc/58/43/19/1300584319.db2.gz GFAJDZAQJGYJCH-SOUVJXGZSA-N 0 3 329.400 3.128 20 5 EGBDHN C[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)N1[C@H](C)CC[C@@H]1C ZINC000757423423 1300670357 /nfs/dbraw/zinc/67/03/57/1300670357.db2.gz DJHCNPLUCLFVCI-TUAOUCFPSA-N 0 3 339.823 3.126 20 5 EGBDHN Cc1nnc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)[nH]1 ZINC000761532841 1301491744 /nfs/dbraw/zinc/49/17/44/1301491744.db2.gz HBFYMGDDMMMHFU-LBPRGKRZSA-N 0 3 335.795 3.054 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@H](CCO)Cc1ccccc1 ZINC000894254407 1306303596 /nfs/dbraw/zinc/30/35/96/1306303596.db2.gz HCKUIMYJBWPCFQ-MRXNPFEDSA-N 0 3 334.803 3.332 20 5 EGBDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895327068 1309285065 /nfs/dbraw/zinc/28/50/65/1309285065.db2.gz BPNGYDAIIOYQBG-QRQYBIJMSA-N 0 3 330.837 3.028 20 5 EGBDHN CN(CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)[C@@H]1CCC(C)(C)C1 ZINC000794686778 1309575024 /nfs/dbraw/zinc/57/50/24/1309575024.db2.gz QUNMQTSCOBWOQP-CQSZACIVSA-N 0 3 346.431 3.305 20 5 EGBDHN O=[N+]([O-])c1ccc(CN[C@H](CCO)Cc2ccccc2)c(Cl)c1 ZINC000799348992 1310533585 /nfs/dbraw/zinc/53/35/85/1310533585.db2.gz AWUUHJWSYPKUTR-OAHLLOKOSA-N 0 3 334.803 3.332 20 5 EGBDHN Cc1cc(C(F)(F)F)nn1CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000903163903 1317666333 /nfs/dbraw/zinc/66/63/33/1317666333.db2.gz JGFMQSYEEKFYTM-NSHDSACASA-N 0 3 342.321 3.469 20 5 EGBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1nc2c(s1)CCC2 ZINC000903191331 1317670404 /nfs/dbraw/zinc/67/04/04/1317670404.db2.gz TXUDQNMTFQMYSR-JTQLQIEISA-N 0 3 335.404 3.400 20 5 EGBDHN CC(COC(=O)c1csc(-c2cccc(Cl)c2)n1)[N+](=O)[O-] ZINC000813103567 1318498910 /nfs/dbraw/zinc/49/89/10/1318498910.db2.gz QNQVRDYHGKGMTA-QMMMGPOBSA-N 0 3 326.761 3.286 20 5 EGBDHN Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(C)[N+](=O)[O-])cc12 ZINC000813104845 1318500297 /nfs/dbraw/zinc/50/02/97/1318500297.db2.gz SILMHXANZQEBOY-SNVBAGLBSA-N 0 3 345.380 3.217 20 5 EGBDHN COc1ccccc1/C=C(/C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813115585 1318502088 /nfs/dbraw/zinc/50/20/88/1318502088.db2.gz VYGNCOXOKNVESU-RFRKOGIWSA-N 0 3 341.363 3.444 20 5 EGBDHN Cc1nc2cc(C(=O)OCC(C)[N+](=O)[O-])ccc2n1-c1ccccc1 ZINC000813115761 1318502411 /nfs/dbraw/zinc/50/24/11/1318502411.db2.gz ZGLSWAUNLBNRQP-GFCCVEGCSA-N 0 3 339.351 3.156 20 5 EGBDHN CCN1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000910284540 1318595649 /nfs/dbraw/zinc/59/56/49/1318595649.db2.gz QKIMMWOUQCVCRK-AWEZNQCLSA-N 0 3 333.432 3.076 20 5 EGBDHN O=C(CC1=CCCCC1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021902299 1318726378 /nfs/dbraw/zinc/72/63/78/1318726378.db2.gz RAIINHKSPUHHAO-CALCHBBNSA-N 0 3 343.427 3.222 20 5 EGBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1CCC=CCC1 ZINC001023099983 1319260647 /nfs/dbraw/zinc/26/06/47/1319260647.db2.gz AGJKMYVNRNFEFL-CALCHBBNSA-N 0 3 343.427 3.078 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000819215300 1319671128 /nfs/dbraw/zinc/67/11/28/1319671128.db2.gz XNXXDQMEQPRGBN-IAGOWNOFSA-N 0 3 346.358 3.271 20 5 EGBDHN Cc1c(CNCc2ccccc2Cn2cccn2)cccc1[N+](=O)[O-] ZINC000917134953 1319761935 /nfs/dbraw/zinc/76/19/35/1319761935.db2.gz LXMXQQBVPBLCCA-UHFFFAOYSA-N 0 3 336.395 3.438 20 5 EGBDHN CCC(C)(C)N1CCN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CC1 ZINC000824292124 1320245085 /nfs/dbraw/zinc/24/50/85/1320245085.db2.gz LUQBHIIPIVAFOX-SJORKVTESA-N 0 3 345.443 3.031 20 5 EGBDHN CN(Cc1cccc([N+](=O)[O-])c1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000824733827 1320281567 /nfs/dbraw/zinc/28/15/67/1320281567.db2.gz ZVLSWAIARONGBR-UHFFFAOYSA-N 0 3 335.404 3.082 20 5 EGBDHN CC(C)(C)[S@](=O)CCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841765216 1321308910 /nfs/dbraw/zinc/30/89/10/1321308910.db2.gz VKNVOHWAMVBPQP-QMHKHESXSA-N 0 3 338.473 3.499 20 5 EGBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000843766348 1321545422 /nfs/dbraw/zinc/54/54/22/1321545422.db2.gz OYHXCJPZCOFUJE-RYUDHWBXSA-N 0 3 337.395 3.035 20 5 EGBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000843766035 1321545475 /nfs/dbraw/zinc/54/54/75/1321545475.db2.gz OYHXCJPZCOFUJE-NEPJUHHUSA-N 0 3 337.395 3.035 20 5 EGBDHN CC([C@H](OC(=O)[C@H]1Cc2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC000845875016 1321748467 /nfs/dbraw/zinc/74/84/67/1321748467.db2.gz JNRIUFAVWTUNBC-PJQXDXOGSA-N 0 3 329.327 3.415 20 5 EGBDHN CCc1nc(C)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC000845875644 1321748931 /nfs/dbraw/zinc/74/89/31/1321748931.db2.gz AUVFMVYLJKDKKS-MEBBXXQBSA-N 0 3 336.319 3.248 20 5 EGBDHN CC([C@@H](OC(=O)CCc1nccs1)c1ccccc1F)[N+](=O)[O-] ZINC000845877424 1321749529 /nfs/dbraw/zinc/74/95/29/1321749529.db2.gz RPMKPOFDDRNAPG-MEBBXXQBSA-N 0 3 338.360 3.165 20 5 EGBDHN CC(C)Cn1nccc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883154 1321750636 /nfs/dbraw/zinc/75/06/36/1321750636.db2.gz YZKFIYNSTBSKQM-MLGOLLRUSA-N 0 3 349.362 3.242 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)[C@H](O)c1ccccc1 ZINC000850469533 1322254311 /nfs/dbraw/zinc/25/43/11/1322254311.db2.gz RXELHDFCMKFKMB-LXIYXOSZSA-N 0 3 330.384 3.376 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CCO)Cc1ccccc1 ZINC000850466064 1322254439 /nfs/dbraw/zinc/25/44/39/1322254439.db2.gz BZHBYNXDYUNTOH-GOEBONIOSA-N 0 3 344.411 3.248 20 5 EGBDHN CC([C@@H](OC(=O)CCCc1cccnc1)c1ccccc1F)[N+](=O)[O-] ZINC000851108027 1322335604 /nfs/dbraw/zinc/33/56/04/1322335604.db2.gz IATRNVVWYMRNQX-FZKQIMNGSA-N 0 3 346.358 3.493 20 5 EGBDHN C[C@@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926918676 1327776279 /nfs/dbraw/zinc/77/62/79/1327776279.db2.gz JBXJLUDXSNVLNH-NWDGAFQWSA-N 0 3 327.384 3.351 20 5 EGBDHN CN(C)[C@@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)c1cccs1 ZINC000865407502 1329692817 /nfs/dbraw/zinc/69/28/17/1329692817.db2.gz YEZRJLRUGWHECJ-AWEZNQCLSA-N 0 3 339.392 3.003 20 5 EGBDHN O=[N+]([O-])c1ccc(NC2CCN([C@H]3CCOC3)CC2)c(C(F)F)c1 ZINC000865624681 1329722051 /nfs/dbraw/zinc/72/20/51/1329722051.db2.gz OLPLDZJELGXTFQ-ZDUSSCGKSA-N 0 3 341.358 3.198 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(-c2nc([C@H]3CN4CCC3CC4)no2)c1C ZINC001119519642 1371361140 /nfs/dbraw/zinc/36/11/40/1371361140.db2.gz RGORGUQRBRDYES-ZDUSSCGKSA-N 0 3 328.372 3.071 20 5 EGBDHN CN1CCN(Cc2cccc(Nc3cccc([N+](=O)[O-])c3F)c2)CC1 ZINC001210384266 1372339167 /nfs/dbraw/zinc/33/91/67/1372339167.db2.gz JTQGIIHUETXHNR-UHFFFAOYSA-N 0 3 344.390 3.225 20 5 EGBDHN CN(C)Cc1ccc(-c2noc(-c3csc([N+](=O)[O-])c3)n2)cc1 ZINC001212970567 1372808059 /nfs/dbraw/zinc/80/80/59/1372808059.db2.gz WMAZZCJTPCXWTI-UHFFFAOYSA-N 0 3 330.369 3.435 20 5 EGBDHN CC(C)c1ccccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001128865153 1373317817 /nfs/dbraw/zinc/31/78/17/1373317817.db2.gz UMDRDAVOVQQCPK-UHFFFAOYSA-N 0 3 341.411 3.238 20 5 EGBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1cccnc1[N+](=O)[O-] ZINC001225628262 1375134711 /nfs/dbraw/zinc/13/47/11/1375134711.db2.gz GDZISIJOJZIDHK-PBHICJAKSA-N 0 3 327.384 3.279 20 5 EGBDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226752823 1375325744 /nfs/dbraw/zinc/32/57/44/1375325744.db2.gz BMFVQJGKWPEDGB-LRDDRELGSA-N 0 3 331.347 3.028 20 5 EGBDHN O=[N+]([O-])c1cccc2oc(O[C@H]3CCN(Cc4ccccc4)C3)nc21 ZINC001227237349 1375410459 /nfs/dbraw/zinc/41/04/59/1375410459.db2.gz TZXACNPAFFRQFC-AWEZNQCLSA-N 0 3 339.351 3.389 20 5 EGBDHN CC(C)N1CC[C@@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001227604900 1375451904 /nfs/dbraw/zinc/45/19/04/1375451904.db2.gz ZZLLRJJJNVBZKA-LLVKDONJSA-N 0 3 334.294 3.355 20 5 EGBDHN COC(=O)CCN(Cc1ccc2ccc3cccnc3c2n1)C1CC1 ZINC001232228982 1376419503 /nfs/dbraw/zinc/41/95/03/1376419503.db2.gz WQUXDBVKZBKRGK-UHFFFAOYSA-N 0 3 335.407 3.311 20 5 EGBDHN CCN1CC[C@@H](Oc2cc(C(=O)OC(C)(C)C)ccc2[N+](=O)[O-])C1 ZINC001233529440 1376661872 /nfs/dbraw/zinc/66/18/72/1376661872.db2.gz WNMXCKWHYHVIFH-CYBMUJFWSA-N 0 3 336.388 3.023 20 5 EGBDHN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC001253719487 1377098830 /nfs/dbraw/zinc/09/88/30/1377098830.db2.gz YEMGTGQFCVETFN-UHFFFAOYSA-N 0 3 342.399 3.259 20 5 EGBDHN O=C(CCCC1CCCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001152684388 1379970307 /nfs/dbraw/zinc/97/03/07/1379970307.db2.gz NKTIQTVBDOYHDL-UHFFFAOYSA-N 0 3 333.432 3.161 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331.416 3.211 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCc2ccsc2C1 ZINC000132718120 223356707 /nfs/dbraw/zinc/35/67/07/223356707.db2.gz XOMJTUUHSNKVHR-UHFFFAOYSA-N 0 3 345.424 3.352 20 5 EGBDHN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000187205632 296106357 /nfs/dbraw/zinc/10/63/57/296106357.db2.gz PVHWIAZKASNUCN-CXAGYDPISA-N 0 3 327.384 3.016 20 5 EGBDHN Cc1nccn1CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264999305 247124311 /nfs/dbraw/zinc/12/43/11/247124311.db2.gz YXSRCVHILAOROK-UHFFFAOYSA-N 0 3 343.412 3.013 20 5 EGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000266523863 248344743 /nfs/dbraw/zinc/34/47/43/248344743.db2.gz JKUNSTORXSQYPC-KBPBESRZSA-N 0 3 341.415 3.073 20 5 EGBDHN COCCOc1ccc(CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178644161 533244057 /nfs/dbraw/zinc/24/40/57/533244057.db2.gz OCHWDDUHEXGMFI-CQSZACIVSA-N 0 3 330.384 3.471 20 5 EGBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@@H](c1ccccc1)N(C)C ZINC000187194406 533292536 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COC(=O)[C@@]1(C)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093813715 162029893 /nfs/dbraw/zinc/02/98/93/162029893.db2.gz OSDYUMSXBFCLLY-SFHVURJKSA-N 0 3 344.367 3.240 20 5 EGBDHN Cc1c(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000110353460 162124716 /nfs/dbraw/zinc/12/47/16/162124716.db2.gz ADPJZFNCGJQPHA-AWEZNQCLSA-N 0 3 341.411 3.154 20 5 EGBDHN COc1cc(N(C)CCCN(C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000343808818 164039588 /nfs/dbraw/zinc/03/95/88/164039588.db2.gz NDWXBCBKAOFLKP-UHFFFAOYSA-N 0 3 333.388 3.155 20 5 EGBDHN CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N1CCC(C)CC1 ZINC000345828295 164274209 /nfs/dbraw/zinc/27/42/09/164274209.db2.gz JAPDMLZMMSFABP-CYBMUJFWSA-N 0 3 339.461 3.143 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H]4CC[C@H](O)[C@H]4C3)o2)cc1 ZINC000346334097 164370258 /nfs/dbraw/zinc/37/02/58/164370258.db2.gz NPOSDURZIQZIEJ-JQFCIGGWSA-N 0 3 328.368 3.058 20 5 EGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccco1 ZINC000359567019 167196545 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EGBDHN Cc1nc(C)c([C@@H](C)N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000269629443 266329866 /nfs/dbraw/zinc/32/98/66/266329866.db2.gz DZLPFPINDCLGKV-ABAIWWIYSA-N 0 3 335.429 3.395 20 5 EGBDHN COc1ccc([C@@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000269650271 266333231 /nfs/dbraw/zinc/33/32/31/266333231.db2.gz MBBKTRKGFNRQNY-APWZRJJASA-N 0 3 342.395 3.126 20 5 EGBDHN C[C@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000273522478 267053234 /nfs/dbraw/zinc/05/32/34/267053234.db2.gz YWTWCSWYRVERLD-KBPBESRZSA-N 0 3 348.447 3.028 20 5 EGBDHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342622970 274212882 /nfs/dbraw/zinc/21/28/82/274212882.db2.gz SXEGUVHEVXLFRM-AWEZNQCLSA-N 0 3 342.399 3.237 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc3c(c1)OCO3)CCC2 ZINC000192593401 275038455 /nfs/dbraw/zinc/03/84/55/275038455.db2.gz LBYVNMIVJDVPRU-MRXNPFEDSA-N 0 3 326.352 3.491 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CCN(c3ccccn3)C1)CCC2 ZINC000193048208 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20 5 EGBDHN CCS[C@@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284821326 275828863 /nfs/dbraw/zinc/82/88/63/275828863.db2.gz ABKIKSXWWJBBBB-TZMCWYRMSA-N 0 3 325.390 3.267 20 5 EGBDHN CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000287058868 276077564 /nfs/dbraw/zinc/07/75/64/276077564.db2.gz UVMDUZPONNZOAO-UHFFFAOYSA-N 0 3 327.331 3.043 20 5 EGBDHN COc1ccc(CN[C@H](C)[C@@H]2OCCc3sccc32)cc1[N+](=O)[O-] ZINC000291648488 276671360 /nfs/dbraw/zinc/67/13/60/276671360.db2.gz CMAQGNOFFXVJKB-DIFFPNOSSA-N 0 3 348.424 3.457 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN(Cc2cccc(F)c2)C2CCCC2)n1 ZINC000358281191 280376716 /nfs/dbraw/zinc/37/67/16/280376716.db2.gz ZTRGDFVVGFCATR-UHFFFAOYSA-N 0 3 332.379 3.375 20 5 EGBDHN CN(C)CCN(Cc1ccc(F)cc1F)Cc1ccccc1[N+](=O)[O-] ZINC000349062761 289145804 /nfs/dbraw/zinc/14/58/04/289145804.db2.gz NZOZSZOMAUVWDS-UHFFFAOYSA-N 0 3 349.381 3.437 20 5 EGBDHN C[C@H](N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000414197403 309066396 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3.126 20 5 EGBDHN COCC1(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000293093622 308098795 /nfs/dbraw/zinc/09/87/95/308098795.db2.gz XFFYZYWYQMPHET-UHFFFAOYSA-N 0 3 344.358 3.493 20 5 EGBDHN C[C@H](NCC1([C@H](O)c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294922655 308271890 /nfs/dbraw/zinc/27/18/90/308271890.db2.gz XCGFSTLKVAHVSQ-SCLBCKFNSA-N 0 3 341.411 3.341 20 5 EGBDHN C[C@H]1[C@H](CO)CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414587689 309090862 /nfs/dbraw/zinc/09/08/62/309090862.db2.gz VILSAIGSEKCNPK-KBPBESRZSA-N 0 3 330.384 3.448 20 5 EGBDHN Cc1nc(NC[C@H](c2cccs2)N2CCCC2)ncc1[N+](=O)[O-] ZINC000296193972 308402904 /nfs/dbraw/zinc/40/29/04/308402904.db2.gz BQHDDSCJAIHMLY-CYBMUJFWSA-N 0 3 333.417 3.004 20 5 EGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000330722181 308797916 /nfs/dbraw/zinc/79/79/16/308797916.db2.gz CHGRKALWHOGUQY-NSHDSACASA-N 0 3 339.823 3.051 20 5 EGBDHN Cc1cccc(CN(CCN(C)C)c2ncc([N+](=O)[O-])cc2F)c1 ZINC000413194752 309020756 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COc1cccc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449495120 310066614 /nfs/dbraw/zinc/06/66/14/310066614.db2.gz CEENCDQKEZCLCW-OAHLLOKOSA-N 0 3 327.384 3.378 20 5 EGBDHN CCCN(CCN(C)C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000449973343 310096905 /nfs/dbraw/zinc/09/69/05/310096905.db2.gz QOMIKLSQMGUQMM-UHFFFAOYSA-N 0 3 347.337 3.027 20 5 EGBDHN CCOc1cc(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000451418296 310177362 /nfs/dbraw/zinc/17/73/62/310177362.db2.gz IZVWDTVUGYCKER-INMHGKMJSA-N 0 3 334.416 3.119 20 5 EGBDHN CCO[C@H]1C[C@H](NCc2cc(OC)c(F)cc2[N+](=O)[O-])C12CCC2 ZINC000451474075 310180010 /nfs/dbraw/zinc/18/00/10/310180010.db2.gz ALTCLZJYFYNQSH-HOTGVXAUSA-N 0 3 338.379 3.180 20 5 EGBDHN CO[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H]1OC ZINC000488547955 311070854 /nfs/dbraw/zinc/07/08/54/311070854.db2.gz TVVABJAWFWLULS-HOTGVXAUSA-N 0 3 348.424 3.169 20 5 EGBDHN CN(C)C/C=C\C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000491887816 311195593 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O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2cc(F)ccc2F)n1 ZINC000564813369 316210308 /nfs/dbraw/zinc/21/03/08/316210308.db2.gz HXZKDLUCSRBLSC-HUUCEWRRSA-N 0 3 336.342 3.343 20 5 EGBDHN COC[C@H](Cc1ccccc1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570738879 317100158 /nfs/dbraw/zinc/10/01/58/317100158.db2.gz GNMRXRRYXUEUPB-MAUKXSAKSA-N 0 3 326.396 3.429 20 5 EGBDHN Cc1c(CNC[C@@H](O)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000571910319 317264607 /nfs/dbraw/zinc/26/46/07/317264607.db2.gz PZQKJJJESYSCNH-INIZCTEOSA-N 0 3 334.803 3.250 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOCC(F)(F)C(F)F ZINC000572588038 317360319 /nfs/dbraw/zinc/36/03/19/317360319.db2.gz NMBWHOWYMZUBBF-JTQLQIEISA-N 0 3 338.301 3.471 20 5 EGBDHN CN(C)CCN(Cc1ccccn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000573218063 317454238 /nfs/dbraw/zinc/45/42/38/317454238.db2.gz YUJSGKTUUVBTTA-UHFFFAOYSA-N 0 3 348.834 3.207 20 5 EGBDHN Cc1cccc(C)c1OC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173350403 323294898 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EGBDHN CCN(CC)Cc1ccc(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000771481680 1303410565 /nfs/dbraw/zinc/41/05/65/1303410565.db2.gz RUBVGAUXPZNXEW-UHFFFAOYSA-N 0 3 336.319 3.388 20 5 EGBDHN CC(C)(C)OC(=O)NCCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000774833226 1303865199 /nfs/dbraw/zinc/86/51/99/1303865199.db2.gz MIBNYBWMVOMGGF-UHFFFAOYSA-N 0 3 349.431 3.474 20 5 EGBDHN COC(=O)[C@@H]1CCCC[C@@]1(C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000775993259 1304076044 /nfs/dbraw/zinc/07/60/44/1304076044.db2.gz RXWGCCTVRGEAOK-XJKSGUPXSA-N 0 3 340.807 3.460 20 5 EGBDHN O=[N+]([O-])c1cnn(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)c1 ZINC000776770643 1304196167 /nfs/dbraw/zinc/19/61/67/1304196167.db2.gz BFABPYQXSVBBRL-KURKYZTESA-N 0 3 326.400 3.407 20 5 EGBDHN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)C1=CCN(C)CC1 ZINC000781441007 1304828474 /nfs/dbraw/zinc/82/84/74/1304828474.db2.gz OEZYFSOMCKLGBQ-JTQLQIEISA-N 0 3 338.795 3.020 20 5 EGBDHN COc1c([O-])ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000891629556 1305117651 /nfs/dbraw/zinc/11/76/51/1305117651.db2.gz GGZNIIQMZGSMQV-CQSZACIVSA-N 0 3 328.368 3.299 20 5 EGBDHN COc1c([O-])ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000891629556 1305117657 /nfs/dbraw/zinc/11/76/57/1305117657.db2.gz GGZNIIQMZGSMQV-CQSZACIVSA-N 0 3 328.368 3.299 20 5 EGBDHN COc1c([O-])ccc(C[NH2+][C@H]2CCC[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000892951078 1305624022 /nfs/dbraw/zinc/62/40/22/1305624022.db2.gz RJFOAHFZVRNUIS-NWDGAFQWSA-N 0 3 326.418 3.073 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]C[C@@H](c2cccnc2)C(C)C)c1[N+](=O)[O-] ZINC000893102345 1305707950 /nfs/dbraw/zinc/70/79/50/1305707950.db2.gz RWDCVIZYCPKNKR-OAHLLOKOSA-N 0 3 345.399 3.233 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]CCc2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000893163489 1305739568 /nfs/dbraw/zinc/73/95/68/1305739568.db2.gz VHVYVJCCLMZUCB-UHFFFAOYSA-N 0 3 334.347 3.089 20 5 EGBDHN Cc1c(CNCc2ccc3c(c2)CCC(=O)N3C)cccc1[N+](=O)[O-] ZINC000791000012 1308906734 /nfs/dbraw/zinc/90/67/34/1308906734.db2.gz QVHYFLALCLYPKN-UHFFFAOYSA-N 0 3 339.395 3.102 20 5 EGBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CCc1ccccc1[N+](=O)[O-] ZINC000796114489 1309911660 /nfs/dbraw/zinc/91/16/60/1309911660.db2.gz SPGLFQBXFJJSNT-UHFFFAOYSA-N 0 3 345.355 3.056 20 5 EGBDHN CC(C)N1CCC[C@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000929601029 1328643381 /nfs/dbraw/zinc/64/33/81/1328643381.db2.gz LOJXDTGLUYLKAD-HNNXBMFYSA-N 0 3 339.823 3.079 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](NCC[C@@H](O)C2CC2)c2ccccc2)c1 ZINC000903407037 1317698111 /nfs/dbraw/zinc/69/81/11/1317698111.db2.gz MAHQZMHWKHDRAK-MOPGFXCFSA-N 0 3 326.396 3.435 20 5 EGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H]1CCc2n[nH]cc2C1 ZINC000811481100 1318181657 /nfs/dbraw/zinc/18/16/57/1318181657.db2.gz ODHMBKCICQEIRT-LLVKDONJSA-N 0 3 341.198 3.272 20 5 EGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H]1CCc2c[nH]nc2C1 ZINC000811483985 1318183256 /nfs/dbraw/zinc/18/32/56/1318183256.db2.gz SYCCHPLHAKSUSE-LLVKDONJSA-N 0 3 341.198 3.272 20 5 EGBDHN CC(COC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1)[N+](=O)[O-] ZINC000813111255 1318500281 /nfs/dbraw/zinc/50/02/81/1318500281.db2.gz FEIXYKWADGGDEV-LBPRGKRZSA-N 0 3 343.339 3.153 20 5 EGBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])cc(C)c1OCc1cccnc1 ZINC000813111206 1318501270 /nfs/dbraw/zinc/50/12/70/1318501270.db2.gz QJLBVKAXELWTCE-CQSZACIVSA-N 0 3 344.367 3.099 20 5 EGBDHN CCc1nc(C)c(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC000813887936 1318651588 /nfs/dbraw/zinc/65/15/88/1318651588.db2.gz WGKMQEWSKCJNKF-UHFFFAOYSA-N 0 3 344.415 3.212 20 5 EGBDHN COC(OC)c1ccc(F)c(CNCCc2ccccc2[N+](=O)[O-])c1 ZINC000818192571 1319515034 /nfs/dbraw/zinc/51/50/34/1319515034.db2.gz GJBCXALUFOFYBV-UHFFFAOYSA-N 0 3 348.374 3.358 20 5 EGBDHN CCOc1cc(C)ccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819149416 1319648968 /nfs/dbraw/zinc/64/89/68/1319648968.db2.gz JDABEFPAUXUJGQ-QGZVFWFLSA-N 0 3 330.384 3.125 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cc(Cl)cc3c2OCC3)c1 ZINC000819230450 1319675731 /nfs/dbraw/zinc/67/57/31/1319675731.db2.gz YMTJCDVQUNBDST-INIZCTEOSA-N 0 3 348.786 3.006 20 5 EGBDHN Cc1c(CNCc2ccc(N3CCCC3=O)cc2)cccc1[N+](=O)[O-] ZINC000917134035 1319761143 /nfs/dbraw/zinc/76/11/43/1319761143.db2.gz ICGPPIRQYQCRSU-UHFFFAOYSA-N 0 3 339.395 3.320 20 5 EGBDHN CC[C@@H]1OCC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000839192272 1320891324 /nfs/dbraw/zinc/89/13/24/1320891324.db2.gz NXQXBUKOMASQPX-YPMHNXCESA-N 0 3 329.194 3.014 20 5 EGBDHN Cc1nc(SC2CCCC2)sc1CC(=O)OCC(C)[N+](=O)[O-] ZINC000842363972 1321377872 /nfs/dbraw/zinc/37/78/72/1321377872.db2.gz QKEKKIVQTAKBNF-SECBINFHSA-N 0 3 344.458 3.237 20 5 EGBDHN Cc1cccc(OCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845872930 1321747152 /nfs/dbraw/zinc/74/71/52/1321747152.db2.gz QVXYGWJSLVKEOH-FZKQIMNGSA-N 0 3 347.342 3.463 20 5 EGBDHN Cc1nc(C)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845872991 1321747172 /nfs/dbraw/zinc/74/71/72/1321747172.db2.gz RDJFHQXEHGQQSV-NOZJJQNGSA-N 0 3 338.360 3.462 20 5 EGBDHN Cc1cccc(OCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845872928 1321747262 /nfs/dbraw/zinc/74/72/62/1321747262.db2.gz QVXYGWJSLVKEOH-ACJLOTCBSA-N 0 3 347.342 3.463 20 5 EGBDHN Cc1nc(C)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845872999 1321747270 /nfs/dbraw/zinc/74/72/70/1321747270.db2.gz RDJFHQXEHGQQSV-RNCFNFMXSA-N 0 3 338.360 3.462 20 5 EGBDHN Cc1ccccc1OCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845871898 1321747477 /nfs/dbraw/zinc/74/74/77/1321747477.db2.gz BLBOQDKXJSJQMG-ACJLOTCBSA-N 0 3 347.342 3.463 20 5 EGBDHN CC([C@@H](OC(=O)COCC1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845876314 1321748973 /nfs/dbraw/zinc/74/89/73/1321748973.db2.gz BYOXAXSDOSNTEC-YVEFUNNKSA-N 0 3 339.363 3.282 20 5 EGBDHN Cc1cc(C)nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845877644 1321749504 /nfs/dbraw/zinc/74/95/04/1321749504.db2.gz FUVBOSITTPNUBF-WBMJQRKESA-N 0 3 332.331 3.401 20 5 EGBDHN CCc1c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])ccn1C ZINC000845879334 1321749761 /nfs/dbraw/zinc/74/97/61/1321749761.db2.gz IQVRXTYTHMCNMB-MEDUHNTESA-N 0 3 334.347 3.290 20 5 EGBDHN Cc1ccc(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845881872 1321750240 /nfs/dbraw/zinc/75/02/40/1321750240.db2.gz MPMYHHWLIYZWSF-SJCJKPOMSA-N 0 3 332.331 3.021 20 5 EGBDHN CC([C@@H](OC(=O)c1ncoc1C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845883497 1321750378 /nfs/dbraw/zinc/75/03/78/1321750378.db2.gz UBOVEHGMLKYFTD-YMTOWFKASA-N 0 3 334.303 3.254 20 5 EGBDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000850357052 1322233427 /nfs/dbraw/zinc/23/34/27/1322233427.db2.gz XCFWDFDLZKHCRQ-BHVCSQLQSA-N 0 3 330.837 3.028 20 5 EGBDHN C[C@H](CN(C)C(=O)OC(C)(C)C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000850578474 1322272328 /nfs/dbraw/zinc/27/23/28/1322272328.db2.gz LMHGJVZHGYXWNV-IUODEOHRSA-N 0 3 349.431 3.427 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1cc(N(C)C)ccn1 ZINC000922482838 1322539326 /nfs/dbraw/zinc/53/93/26/1322539326.db2.gz NHPAIIMTPFMVKH-ZROIWOOFSA-N 0 3 326.400 3.249 20 5 EGBDHN C[C@@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@H]2CCCC[C@@H]12 ZINC000853506528 1325108868 /nfs/dbraw/zinc/10/88/68/1325108868.db2.gz NMRYBOAMJBGJJX-YCPHGPKFSA-N 0 3 341.415 3.321 20 5 EGBDHN Cc1ccc(-c2noc(-c3cc4c(s3)CCNC4)n2)cc1[N+](=O)[O-] ZINC000854137441 1325216943 /nfs/dbraw/zinc/21/69/43/1325216943.db2.gz WGAHWASWOVEHET-UHFFFAOYSA-N 0 3 342.380 3.327 20 5 EGBDHN CC([C@H](OC(=O)[C@H]1[C@@H](C)O[C@@H](C)[C@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000860855014 1329363557 /nfs/dbraw/zinc/36/35/57/1329363557.db2.gz PAGAUYZEHIJITP-WABDHJOZSA-N 0 3 339.363 3.135 20 5 EGBDHN Cc1nc(CC2CCN(Cc3cccc([N+](=O)[O-])c3C)CC2)no1 ZINC000932247513 1329800112 /nfs/dbraw/zinc/80/01/12/1329800112.db2.gz OOWORSRUOLDKNS-UHFFFAOYSA-N 0 3 330.388 3.049 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)cc(-c2nc([C@@H]3CN4CCC3CC4)no2)c1 ZINC001323913604 1387495074 /nfs/dbraw/zinc/49/50/74/1387495074.db2.gz BGGBQSSHNDFNNQ-CYBMUJFWSA-N 0 3 334.763 3.107 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1ccc(C(N)=O)cc1 ZINC001324014008 1387508896 /nfs/dbraw/zinc/50/88/96/1387508896.db2.gz GHPOSJDGDCJQLJ-GXDHUFHOSA-N 0 3 339.395 3.229 20 5 EGBDHN CC/C=C(\C)C(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001199575897 1369239206 /nfs/dbraw/zinc/23/92/06/1369239206.db2.gz BXRROZVRANYXFQ-UUILKARUSA-N 0 3 337.445 3.093 20 5 EGBDHN CCN1CCN(Cc2ccc(Nc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC001206164417 1370977074 /nfs/dbraw/zinc/97/70/74/1370977074.db2.gz KDQFVZLEZPXZEM-UHFFFAOYSA-N 0 3 340.427 3.476 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1ccc(Cl)c(F)c1 ZINC001119252740 1371290613 /nfs/dbraw/zinc/29/06/13/1371290613.db2.gz NXYIXJULAYLVPW-SECBINFHSA-N 0 3 326.759 3.243 20 5 EGBDHN Cc1nccc(-c2nc(-c3ccc(CN(C)C)cc3)no2)c1[N+](=O)[O-] ZINC001214099737 1373008836 /nfs/dbraw/zinc/00/88/36/1373008836.db2.gz UWPOPMCMCOJERU-UHFFFAOYSA-N 0 3 339.355 3.077 20 5 EGBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1ncccc1[N+](=O)[O-] ZINC001225589829 1375127561 /nfs/dbraw/zinc/12/75/61/1375127561.db2.gz FRAOKBPTNJVJSK-PBHICJAKSA-N 0 3 327.384 3.279 20 5 EGBDHN C[C@H](C[N+](C)(C)C)Oc1nc(=S)[n-]c2sc3c(c21)CCCC3 ZINC001229287210 1375801297 /nfs/dbraw/zinc/80/12/97/1375801297.db2.gz GRISGOWKSFJBDD-SNVBAGLBSA-O 0 3 338.522 3.332 20 5 EGBDHN C[C@@H](c1ccccn1)N1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395782 1375826645 /nfs/dbraw/zinc/82/66/45/1375826645.db2.gz LVUUBBBVFNYPGF-ZFWWWQNUSA-N 0 3 343.383 3.300 20 5 EGBDHN C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395782 1375826647 /nfs/dbraw/zinc/82/66/47/1375826647.db2.gz LVUUBBBVFNYPGF-ZFWWWQNUSA-N 0 3 343.383 3.300 20 5 EGBDHN C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395782 1375826651 /nfs/dbraw/zinc/82/66/51/1375826651.db2.gz LVUUBBBVFNYPGF-ZFWWWQNUSA-N 0 3 343.383 3.300 20 5 EGBDHN CCN1CCC[C@@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234368812 1376821342 /nfs/dbraw/zinc/82/13/42/1376821342.db2.gz OJIHMMCRLSQLJN-MRXNPFEDSA-N 0 3 333.432 3.448 20 5 EGBDHN CC(C)c1ccsc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001152127456 1379867630 /nfs/dbraw/zinc/86/76/30/1379867630.db2.gz XNBJDKYEIVFBJU-UHFFFAOYSA-N 0 3 347.440 3.299 20 5 EGBDHN CC(C)(C)C12CC(C(=O)NCCNCc3cccc([N+](=O)[O-])c3)(C1)C2 ZINC001152970027 1380000732 /nfs/dbraw/zinc/00/07/32/1380000732.db2.gz OYAXJFGXPXZPHJ-UHFFFAOYSA-N 0 3 345.443 3.017 20 5 EGBDHN Cc1cc(Cl)c([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)N)n1 ZINC001155247504 1380428818 /nfs/dbraw/zinc/42/88/18/1380428818.db2.gz JNEQPOXAZUERLJ-SECBINFHSA-N 0 3 331.763 3.310 20 5 EGBDHN COc1cc(C)c([N+](=O)[O-])cc1-n1c2ccccc2nc1[C@@H](C)N ZINC001162765759 1382865319 /nfs/dbraw/zinc/86/53/19/1382865319.db2.gz JFEUDIDBEYNOPI-LLVKDONJSA-N 0 3 326.356 3.270 20 5 EGBDHN Clc1ccc2ccc3ccc(-n4cnc5c4CNCC5)nc3c2n1 ZINC001164313269 1383176764 /nfs/dbraw/zinc/17/67/64/1383176764.db2.gz CYTXSAQXGQRQBF-UHFFFAOYSA-N 0 3 335.798 3.268 20 5 EGBDHN C=Cc1ccc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)cc1 ZINC001167223290 1383570188 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20 5 EGBDHN COc1ccc2c(c1)c(CN)nn2[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229192 1384941010 /nfs/dbraw/zinc/94/10/10/1384941010.db2.gz LVWNTGJACHLNIP-GFCCVEGCSA-N 0 3 340.383 3.216 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1nc([C@H]2CN3CCC2CC3)no1 ZINC001320496330 1386628070 /nfs/dbraw/zinc/62/80/70/1386628070.db2.gz AGMDAQNQVQVMTO-LBPRGKRZSA-N 0 3 334.763 3.107 20 5 EGBDHN COc1ccc(CCC[NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])cc1 ZINC001336707916 1389141887 /nfs/dbraw/zinc/14/18/87/1389141887.db2.gz WMYJIZVKBYDNEW-UHFFFAOYSA-N 0 3 346.383 3.040 20 5 EGBDHN CSC[C@@H](CCO)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC001332229963 1390058133 /nfs/dbraw/zinc/05/81/33/1390058133.db2.gz BIWCKKOOLXYKEH-GHMZBOCLSA-N 0 3 330.475 3.081 20 5 EGBDHN Cc1ccc(CN2CCCN(Cc3cccnc3[N+](=O)[O-])CC2)cc1 ZINC001350084885 1391408565 /nfs/dbraw/zinc/40/85/65/1391408565.db2.gz HQLPLRWNMLXDKF-UHFFFAOYSA-N 0 3 340.427 3.006 20 5 EGBDHN O=[N+]([O-])c1ccc(CN[C@H](CO)Cc2ccc(F)cc2)cc1Cl ZINC000783648587 1126109648 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CC1(C)CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117341556 221054768 /nfs/dbraw/zinc/05/47/68/221054768.db2.gz ODWYAAAPOUWAPB-UHFFFAOYSA-N 0 3 333.388 3.015 20 5 EGBDHN COc1cccc([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000341219383 141140370 /nfs/dbraw/zinc/14/03/70/141140370.db2.gz LFHFLGXQFHLILG-CYBMUJFWSA-N 0 3 343.383 3.283 20 5 EGBDHN C[C@H](NCCCNC(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173405962 144041234 /nfs/dbraw/zinc/04/12/34/144041234.db2.gz NSPSWURDBDTZHP-ZDUSSCGKSA-N 0 3 345.374 3.205 20 5 EGBDHN CCC1(CC)[C@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000178365611 144069867 /nfs/dbraw/zinc/06/98/67/144069867.db2.gz FQEPVUSABIZGML-MAZHCROVSA-N 0 3 349.431 3.105 20 5 EGBDHN Cc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1 ZINC000187199542 144154434 /nfs/dbraw/zinc/15/44/34/144154434.db2.gz FBIWZJDBRVVLOD-KBXCAEBGSA-N 0 3 341.411 3.324 20 5 EGBDHN CN(C)CC1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000341464037 155306558 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O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc4ncccc4c3)C2)nc1 ZINC000128904763 162340584 /nfs/dbraw/zinc/34/05/84/162340584.db2.gz FPZUFTRUKHEEQL-MRXNPFEDSA-N 0 3 349.394 3.224 20 5 EGBDHN CCO[C@H]1C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(CC)CC ZINC000344109514 164104749 /nfs/dbraw/zinc/10/47/49/164104749.db2.gz SKPYEWDTAAKLNO-HOTGVXAUSA-N 0 3 349.431 3.107 20 5 EGBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCOC3(CCOCC3)C2)c(Cl)c1 ZINC000344298470 164149913 /nfs/dbraw/zinc/14/99/13/164149913.db2.gz DUVGWCQWAMVPBU-ZDUSSCGKSA-N 0 3 340.807 3.066 20 5 EGBDHN CN(c1ccccc1)c1ccc(CNCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000344372777 164166290 /nfs/dbraw/zinc/16/62/90/164166290.db2.gz GKDXBSUISBERMM-UHFFFAOYSA-N 0 3 341.411 3.367 20 5 EGBDHN C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000346181925 164358334 /nfs/dbraw/zinc/35/83/34/164358334.db2.gz VSLNPRZINNKIEU-LBPRGKRZSA-N 0 3 339.823 3.098 20 5 EGBDHN CN(Cc1csc([N+](=O)[O-])c1)CC1CCN(c2ccncc2)CC1 ZINC000354894980 166058414 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EGBDHN C[C@@H](NC(=O)[C@@H]1CCCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000269741431 266352237 /nfs/dbraw/zinc/35/22/37/266352237.db2.gz XCYBKFXIDGCKPK-DYVFJYSZSA-N 0 3 331.416 3.179 20 5 EGBDHN C[C@H](NC(=O)c1ccc(F)cc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000274570789 267255593 /nfs/dbraw/zinc/25/55/93/267255593.db2.gz ATEXCLLASSSJSA-YVEFUNNKSA-N 0 3 345.374 3.155 20 5 EGBDHN Cc1cc(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000274813399 267291871 /nfs/dbraw/zinc/29/18/71/267291871.db2.gz NFUCMYQLMDGFQT-ZDUSSCGKSA-N 0 3 334.420 3.097 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000275528054 267375262 /nfs/dbraw/zinc/37/52/62/267375262.db2.gz MBMFVLYAYVRDTQ-ZDUSSCGKSA-N 0 3 334.420 3.097 20 5 EGBDHN CC[C@H](C)[C@H](C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000106439639 275168644 /nfs/dbraw/zinc/16/86/44/275168644.db2.gz XWDGGERPWHHFAX-STQMWFEESA-N 0 3 349.431 3.441 20 5 EGBDHN CCOc1ccc([C@H](C)NCC2([C@@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271919224 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Cc1ccc([C@H](C)N[C@@H]2COc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000290211335 276464381 /nfs/dbraw/zinc/46/43/81/276464381.db2.gz HHEGBGGCVXQLEG-WBHUJUFNSA-N 0 3 328.368 3.048 20 5 EGBDHN CC(C)c1ccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000363878712 278023542 /nfs/dbraw/zinc/02/35/42/278023542.db2.gz ARLZQCIAVVECDO-MRXNPFEDSA-N 0 3 345.443 3.419 20 5 EGBDHN CC(C)(C)CC(C)(C)NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053123715 307334747 /nfs/dbraw/zinc/33/47/47/307334747.db2.gz FFUNNHQEIHXUIA-UHFFFAOYSA-N 0 3 333.432 3.288 20 5 EGBDHN C[C@H](NC[C@H](Cc1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000132967525 307665318 /nfs/dbraw/zinc/66/53/18/307665318.db2.gz DTTHRPZFFBVBFP-KXBFYZLASA-N 0 3 327.428 3.418 20 5 EGBDHN Cc1ccc([C@H](C)NC[C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414312656 309072336 /nfs/dbraw/zinc/07/23/36/309072336.db2.gz NXVLVOSWWHPYQX-BBRMVZONSA-N 0 3 332.375 3.469 20 5 EGBDHN Cc1nccnc1CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000293712329 308155267 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CC[C@H](C)[C@@H](C)N(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000532963209 459166685 /nfs/dbraw/zinc/16/66/85/459166685.db2.gz VTSLOFAXYNMRGL-UONOGXRCSA-N 0 3 345.443 3.383 20 5 EGBDHN CCc1nn(C)cc1CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590659607 459173917 /nfs/dbraw/zinc/17/39/17/459173917.db2.gz WOZAVLSYDHVPEY-HNNXBMFYSA-N 0 3 328.416 3.270 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1CCNCc1ccnn1CC1CC1 ZINC000594944739 459188138 /nfs/dbraw/zinc/18/81/38/459188138.db2.gz VUSMRRMHUFYGGX-UHFFFAOYSA-N 0 3 334.807 3.187 20 5 EGBDHN Cc1cc(N2CC[S@](=O)C(C)(C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000590724621 459194754 /nfs/dbraw/zinc/19/47/54/459194754.db2.gz GSLQGOXOCILFEP-DEOSSOPVSA-N 0 3 347.440 3.189 20 5 EGBDHN CN(CCC(=O)NCC1CCCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000558742206 459205915 /nfs/dbraw/zinc/20/59/15/459205915.db2.gz XPVJPSNSVXSMGL-UHFFFAOYSA-N 0 3 347.459 3.156 20 5 EGBDHN CCCN1CC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000594991849 459206057 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CSc1cccc(C(=O)N[C@H]2CCCN3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594197469 460146004 /nfs/dbraw/zinc/14/60/04/460146004.db2.gz OJZHCFFCHMSDMX-UONOGXRCSA-N 0 3 349.456 3.063 20 5 EGBDHN Cc1ccc([C@H](C)NC[C@H]2CCCN2CC(F)F)cc1[N+](=O)[O-] ZINC000599066125 460148925 /nfs/dbraw/zinc/14/89/25/460148925.db2.gz QPGPGGZYLLRMGA-GXTWGEPZSA-N 0 3 327.375 3.283 20 5 EGBDHN CCN(CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1ccoc1 ZINC000610944026 460264518 /nfs/dbraw/zinc/26/45/18/460264518.db2.gz XEPBIDWNBWZOPK-UHFFFAOYSA-N 0 3 347.371 3.047 20 5 EGBDHN C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1(F)F ZINC000599514139 460265486 /nfs/dbraw/zinc/26/54/86/460265486.db2.gz UQUDYFPYSDXNQW-VXGBXAGGSA-N 0 3 341.358 3.147 20 5 EGBDHN CCN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H]1C ZINC000611182405 460303611 /nfs/dbraw/zinc/30/36/11/460303611.db2.gz ABHQHFYUGNQUKR-AWEZNQCLSA-N 0 3 326.400 3.187 20 5 EGBDHN CCN(C[C@@H]1CCOC1)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611204925 460307989 /nfs/dbraw/zinc/30/79/89/460307989.db2.gz AXXNXFBCELXFQL-OLZOCXBDSA-N 0 3 346.387 3.064 20 5 EGBDHN Cc1nccc([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000603834359 460344896 /nfs/dbraw/zinc/34/48/96/460344896.db2.gz SATYLJLHLCYJHK-INIZCTEOSA-N 0 3 326.400 3.381 20 5 EGBDHN CCOC(=O)CCN(C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000615836077 460403559 /nfs/dbraw/zinc/40/35/59/460403559.db2.gz OPUZKRUMTGBPAR-KAMYIIQDSA-N 0 3 332.400 3.416 20 5 EGBDHN C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@@H]2CCCC[C@@H]21 ZINC000611983687 460500529 /nfs/dbraw/zinc/50/05/29/460500529.db2.gz AGWNVXIWHRTSRW-BPLDGKMQSA-N 0 3 332.400 3.377 20 5 EGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cccc(F)c2F)n1 ZINC000601302094 460781763 /nfs/dbraw/zinc/78/17/63/460781763.db2.gz GCWICUDBXMWARZ-KBPBESRZSA-N 0 3 336.342 3.343 20 5 EGBDHN C[C@H](N[C@@H]1COCC[C@H]1O)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000601303377 460782360 /nfs/dbraw/zinc/78/23/60/460782360.db2.gz CAGDWSILIIYREE-NJZAAPMLSA-N 0 3 348.424 3.124 20 5 EGBDHN COc1cc(CN(C)C)ccc1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000601620751 460849000 /nfs/dbraw/zinc/84/90/00/460849000.db2.gz KLFMYGHIFTZWGB-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN Cc1nc2c(s1)[C@@H](N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1)CCC2 ZINC000154536952 534634156 /nfs/dbraw/zinc/63/41/56/534634156.db2.gz QYSYWMRKZZADGF-HOTGVXAUSA-N 0 3 347.440 3.403 20 5 EGBDHN CC(C)[C@@H](CCO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000266124353 535182785 /nfs/dbraw/zinc/18/27/85/535182785.db2.gz BCHOFUMSQHRMOL-OAHLLOKOSA-N 0 3 335.429 3.215 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](O)CNCc2ccccc2N2CCCC2)cc1 ZINC000731678169 575199261 /nfs/dbraw/zinc/19/92/61/575199261.db2.gz HNMQRXQFIVFNIQ-LJQANCHMSA-N 0 3 341.411 3.018 20 5 EGBDHN O=[N+]([O-])c1cc(CN[C@@H](CO)C2CC2)ccc1Oc1ccc(F)cc1 ZINC000734160438 575449693 /nfs/dbraw/zinc/44/96/93/575449693.db2.gz AEFGGNCDFCUPDJ-INIZCTEOSA-N 0 3 346.358 3.387 20 5 EGBDHN O=C(CN(CC1CC1)CC1CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000734487158 575493487 /nfs/dbraw/zinc/49/34/87/575493487.db2.gz GFNFLWIKKVNAOG-UHFFFAOYSA-N 0 3 337.807 3.309 20 5 EGBDHN CCN1CC[C@@H](N(C)C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000740631652 576609161 /nfs/dbraw/zinc/60/91/61/576609161.db2.gz FDFCDRMQBLXFIB-SWLSCSKDSA-N 0 3 336.461 3.096 20 5 EGBDHN C[C@@H]1CCCN1CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000742387697 576777893 /nfs/dbraw/zinc/77/78/93/576777893.db2.gz UKBRYGYJPUFFMC-CYBMUJFWSA-N 0 3 346.456 3.292 20 5 EGBDHN O=C1O[C@@H](CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC12CCC2 ZINC000831538787 1292881675 /nfs/dbraw/zinc/88/16/75/1292881675.db2.gz ISECBOAQAXWCAO-NVXWUHKLSA-N 0 3 344.411 3.260 20 5 EGBDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000176542683 1294613696 /nfs/dbraw/zinc/61/36/96/1294613696.db2.gz OZZOSLJMXOSRQU-UHFFFAOYSA-N 0 3 342.827 3.300 20 5 EGBDHN C[C@H]1OCC[C@@]1(C)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000230155756 1296160894 /nfs/dbraw/zinc/16/08/94/1296160894.db2.gz TYZGUNGTUSLNMZ-NOZJJQNGSA-N 0 3 329.194 3.014 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCN(C)CC(F)F ZINC000872090860 1296728355 /nfs/dbraw/zinc/72/83/55/1296728355.db2.gz UHEIRDCAYJHKKZ-JTQLQIEISA-N 0 3 333.404 3.164 20 5 EGBDHN Cn1ccnc1C[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000588458036 1298067548 /nfs/dbraw/zinc/06/75/48/1298067548.db2.gz UOZGWCGUFRWUIU-KQQSKNTNSA-N 0 3 340.427 3.296 20 5 EGBDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000746108232 1298534160 /nfs/dbraw/zinc/53/41/60/1298534160.db2.gz JSZMDRPDXMNLFS-TXEJJXNPSA-N 0 3 339.823 3.079 20 5 EGBDHN CCS[C@@H]1CC[C@H](N(C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749962531 1299315452 /nfs/dbraw/zinc/31/54/52/1299315452.db2.gz XNJIUENSTLUARV-GXTWGEPZSA-N 0 3 349.460 3.211 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2noc(CN3C[C@@H]4CC=CC[C@@H]4C3)n2)c1 ZINC000879528304 1300582858 /nfs/dbraw/zinc/58/28/58/1300582858.db2.gz SOLDOUCZDBWPKA-OKILXGFUSA-N 0 3 326.356 3.043 20 5 EGBDHN Cc1cccc(C(=O)NCCNCc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000761524213 1301490269 /nfs/dbraw/zinc/49/02/69/1301490269.db2.gz YTPYUPXJYJJFIC-UHFFFAOYSA-N 0 3 347.802 3.076 20 5 EGBDHN Cc1c([C@@H](C)N[C@H](C)CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000769413754 1303109269 /nfs/dbraw/zinc/10/92/69/1303109269.db2.gz FAYOYPMQSUNFGD-DGCLKSJQSA-N 0 3 337.420 3.467 20 5 EGBDHN CNC(=O)N1CCN(Cc2c3ccccc3cc3ccccc32)CC1 ZINC000769499970 1303128138 /nfs/dbraw/zinc/12/81/38/1303128138.db2.gz YJLOKCCBQGOFGR-UHFFFAOYSA-N 0 3 333.435 3.450 20 5 EGBDHN Cc1nc(C)c([C@H](C)N(C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000776583206 1304175292 /nfs/dbraw/zinc/17/52/92/1304175292.db2.gz ZBHZPLLHBOIUMW-XHDPSFHLSA-N 0 3 335.429 3.395 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000776591901 1304177630 /nfs/dbraw/zinc/17/76/30/1304177630.db2.gz RAHPWAPLZOXFFS-IEBWSBKVSA-N 0 3 341.411 3.205 20 5 EGBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000776591902 1304177718 /nfs/dbraw/zinc/17/77/18/1304177718.db2.gz RAHPWAPLZOXFFS-MJGOQNOKSA-N 0 3 341.411 3.205 20 5 EGBDHN C[C@](O)(CNCc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000892992881 1305644358 /nfs/dbraw/zinc/64/43/58/1305644358.db2.gz MHRJYZPWTBMTPW-AWEZNQCLSA-N 0 3 326.805 3.307 20 5 EGBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](C)N2CCCC[C@H]2C)c1F ZINC000790247568 1306281341 /nfs/dbraw/zinc/28/13/41/1306281341.db2.gz TTWRXVZHLPSHCA-OLZOCXBDSA-N 0 3 337.395 3.035 20 5 EGBDHN CC(C)(CNCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCOCC1 ZINC000897442057 1310338319 /nfs/dbraw/zinc/33/83/19/1310338319.db2.gz PMPBMFBCIKKWCR-UHFFFAOYSA-N 0 3 333.388 3.278 20 5 EGBDHN O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000806146553 1317465454 /nfs/dbraw/zinc/46/54/54/1317465454.db2.gz BYYOSMCYJOUKLN-CABZTGNLSA-N 0 3 338.713 3.448 20 5 EGBDHN CCCC(=O)N1CCC(CN(CC)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000957665019 1317536115 /nfs/dbraw/zinc/53/61/15/1317536115.db2.gz ZYKLWKHVMJXCQL-UHFFFAOYSA-N 0 3 347.459 3.455 20 5 EGBDHN CC1(C)CC(CC(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)C1 ZINC001020503442 1317731961 /nfs/dbraw/zinc/73/19/61/1317731961.db2.gz FFHXKSOOUWUTLF-WKILWMFISA-N 0 3 345.443 3.158 20 5 EGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@H]1CCc2n[nH]cc2C1 ZINC000811481101 1318181704 /nfs/dbraw/zinc/18/17/04/1318181704.db2.gz ODHMBKCICQEIRT-NSHDSACASA-N 0 3 341.198 3.272 20 5 EGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@@H]1CCn2ccnc2C1 ZINC000811492233 1318185069 /nfs/dbraw/zinc/18/50/69/1318185069.db2.gz YTESBRFGVPNPEW-LLVKDONJSA-N 0 3 341.198 3.203 20 5 EGBDHN CC(COC(=O)c1csc(-c2ccccc2Cl)n1)[N+](=O)[O-] ZINC000813103655 1318499281 /nfs/dbraw/zinc/49/92/81/1318499281.db2.gz DHUTZGVILYDAMF-MRVPVSSYSA-N 0 3 326.761 3.286 20 5 EGBDHN CC(COC(=O)COc1ccc(Oc2ccccc2)cc1)[N+](=O)[O-] ZINC000813112558 1318501746 /nfs/dbraw/zinc/50/17/46/1318501746.db2.gz IFLUJBVHTDRHDY-ZDUSSCGKSA-N 0 3 331.324 3.066 20 5 EGBDHN CC(COC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)[N+](=O)[O-] ZINC000813112826 1318501972 /nfs/dbraw/zinc/50/19/72/1318501972.db2.gz UFWNVYRHMMXLCQ-MRVPVSSYSA-N 0 3 344.154 3.001 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC2(CC1)OCCCO2 ZINC000816644961 1319199951 /nfs/dbraw/zinc/19/99/51/1319199951.db2.gz AZJNFDVGCZQUAU-QINSGFPZSA-N 0 3 332.400 3.227 20 5 EGBDHN CCOc1cc(CN(C)C[C@@](C)(O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000823607118 1320192079 /nfs/dbraw/zinc/19/20/79/1320192079.db2.gz YVPJUOIKXNGFHE-LJQANCHMSA-N 0 3 344.411 3.333 20 5 EGBDHN Cc1ccc(OCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845872740 1321747356 /nfs/dbraw/zinc/74/73/56/1321747356.db2.gz NBGOSWRWONWRSQ-FZKQIMNGSA-N 0 3 347.342 3.463 20 5 EGBDHN CC([C@H](OC(=O)c1ccc2c(c1)CCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845874340 1321748055 /nfs/dbraw/zinc/74/80/55/1321748055.db2.gz HQCQPGJDIPZSJS-GTNSWQLSSA-N 0 3 345.326 3.324 20 5 EGBDHN CC([C@H](OC(=O)c1ccc2c(c1)COC2)c1ccccc1F)[N+](=O)[O-] ZINC000845873454 1321748155 /nfs/dbraw/zinc/74/81/55/1321748155.db2.gz DHIIFLRMGWFFRT-DIFFPNOSSA-N 0 3 345.326 3.419 20 5 EGBDHN CC([C@H](OC(=O)CN(C)c1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845876642 1321749235 /nfs/dbraw/zinc/74/92/35/1321749235.db2.gz NEZPOVNMAGAAHJ-UGSOOPFHSA-N 0 3 346.358 3.212 20 5 EGBDHN CC([C@H](OC(=O)/C=C\C1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877361 1321749491 /nfs/dbraw/zinc/74/94/91/1321749491.db2.gz RFPSIUAHRRWPDK-QYYZMTSQSA-N 0 3 337.347 3.058 20 5 EGBDHN COC1(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CCC1 ZINC000845877731 1321749548 /nfs/dbraw/zinc/74/95/48/1321749548.db2.gz GLZVVJHITPQDRD-NHYWBVRUSA-N 0 3 325.336 3.034 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)c1c(F)cccc1F ZINC000848532502 1321970832 /nfs/dbraw/zinc/97/08/32/1321970832.db2.gz AWWBFCOKFDRCID-GDBMZVCRSA-N 0 3 334.322 3.184 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@](C)(O)c1ccsc1 ZINC000850437429 1322249402 /nfs/dbraw/zinc/24/94/02/1322249402.db2.gz PBNRXMIXZNYYGU-ZBEGNZNMSA-N 0 3 336.413 3.223 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)C[C@H](O)c1ccco1 ZINC000850443436 1322250644 /nfs/dbraw/zinc/25/06/44/1322250644.db2.gz SFZROOMXNPYBEZ-HUBLWGQQSA-N 0 3 334.372 3.359 20 5 EGBDHN C[C@@H](NC[C@H](O)c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000850581494 1322273078 /nfs/dbraw/zinc/27/30/78/1322273078.db2.gz FSGXVLSEWGJIMN-PSLIRLAXSA-N 0 3 340.301 3.396 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3C[C@H](CO)C3)o2)c(Cl)c1 ZINC000923006859 1322672967 /nfs/dbraw/zinc/67/29/67/1322672967.db2.gz GRQOSEUQOGHKKV-XYPYZODXSA-N 0 3 336.775 3.369 20 5 EGBDHN C[C@@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@@H]2CCCC[C@H]21 ZINC000853506527 1325109495 /nfs/dbraw/zinc/10/94/95/1325109495.db2.gz NMRYBOAMJBGJJX-IJEWVQPXSA-N 0 3 341.415 3.321 20 5 EGBDHN CC(C)n1cc([C@H](C)NCCCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000925468006 1325164341 /nfs/dbraw/zinc/16/43/41/1325164341.db2.gz XZHSAVNAMIZORD-AWEZNQCLSA-N 0 3 331.420 3.441 20 5 EGBDHN Cc1ccc(NC(=O)Cc2cccc(F)c2[N+](=O)[O-])c(CN(C)C)c1 ZINC000865865411 1329746828 /nfs/dbraw/zinc/74/68/28/1329746828.db2.gz ZNNZDCLQYMBXKF-UHFFFAOYSA-N 0 3 345.374 3.285 20 5 EGBDHN CC(C)C(=O)N1CCC2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001035159116 1342975787 /nfs/dbraw/zinc/97/57/87/1342975787.db2.gz ZSYQGEMXSDXYLL-UHFFFAOYSA-N 0 3 345.443 3.065 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@@H]4CCCC[C@@H]4C3)n2)cc1 ZINC001116018008 1370820978 /nfs/dbraw/zinc/82/09/78/1370820978.db2.gz SWYKMCQDAJFJNK-GOEBONIOSA-N 0 3 341.415 3.323 20 5 EGBDHN O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1CC[C@@H]2NCCO[C@H]21 ZINC001218150869 1373570693 /nfs/dbraw/zinc/57/06/93/1373570693.db2.gz YUCYNSBWNBZPBP-ZYSHUDEJSA-N 0 3 340.379 3.160 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)c(O[C@H]2CNCCC2(F)F)c(Cl)c1 ZINC001218446247 1373614124 /nfs/dbraw/zinc/61/41/24/1373614124.db2.gz CCYWMFWCYNXULJ-VIFPVBQESA-N 0 3 327.114 3.278 20 5 EGBDHN Cc1cc(Cl)cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001131363203 1373683934 /nfs/dbraw/zinc/68/39/34/1373683934.db2.gz ZIYXQUMEJNVQCI-UHFFFAOYSA-N 0 3 347.802 3.076 20 5 EGBDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226755949 1375325631 /nfs/dbraw/zinc/32/56/31/1375325631.db2.gz 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ZINC001158494088 1381267321 /nfs/dbraw/zinc/26/73/21/1381267321.db2.gz ANKDFVJAIRSWPW-NSHDSACASA-N 0 3 349.822 3.110 20 5 EGBDHN NCc1ccc2c(n1)N(c1nc3ccccc3cc1[N+](=O)[O-])CCC2 ZINC001158651490 1381337090 /nfs/dbraw/zinc/33/70/90/1381337090.db2.gz CCTNFYLNCVBESJ-UHFFFAOYSA-N 0 3 335.367 3.081 20 5 EGBDHN Cc1c(C)c(-n2c(-c3ccccc3)cnc2[C@H](C)N)ncc1[N+](=O)[O-] ZINC001159594855 1381841356 /nfs/dbraw/zinc/84/13/56/1381841356.db2.gz HLKKTWQMLJMSOU-ZDUSSCGKSA-N 0 3 337.383 3.479 20 5 EGBDHN NCc1ccc(Nc2cc3ccc(Cl)nc3cc2[N+](=O)[O-])cn1 ZINC001160405762 1382095762 /nfs/dbraw/zinc/09/57/62/1382095762.db2.gz MLEIGFWMLDPPDQ-UHFFFAOYSA-N 0 3 329.747 3.394 20 5 EGBDHN Cc1nc(NCC2CCN(Cc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC001161241131 1382351693 /nfs/dbraw/zinc/35/16/93/1382351693.db2.gz USNUGRRADQQONP-UHFFFAOYSA-N 0 3 341.415 3.017 20 5 EGBDHN COc1ccc(C[C@H](C)NCc2cn(CC(C)C)cn2)c([N+](=O)[O-])c1 ZINC001170323392 1384290748 /nfs/dbraw/zinc/29/07/48/1384290748.db2.gz JIZBDAVSGQVVSK-AWEZNQCLSA-N 0 3 346.431 3.177 20 5 EGBDHN COc1cccc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c1[N+](=O)[O-] ZINC001170681455 1384364412 /nfs/dbraw/zinc/36/44/12/1384364412.db2.gz GCGHCBLCCOYHON-LBPRGKRZSA-N 0 3 338.367 3.476 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(Br)no1 ZINC001173213279 1384937280 /nfs/dbraw/zinc/93/72/80/1384937280.db2.gz HNODZAKCBIOEAH-SECBINFHSA-N 0 3 340.177 3.066 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001173238973 1384942567 /nfs/dbraw/zinc/94/25/67/1384942567.db2.gz YWTKNEICWFYSQY-SNRMKQJTSA-N 0 3 349.450 3.424 20 5 EGBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C12CCC(CC1)CC2 ZINC001176698458 1385663004 /nfs/dbraw/zinc/66/30/04/1385663004.db2.gz RDYLMTRKWBRGDZ-UHFFFAOYSA-N 0 3 345.443 3.161 20 5 EGBDHN C/C=C(\C)C(=O)NCCCCCCNCc1csc([N+](=O)[O-])c1 ZINC001178144948 1386142357 /nfs/dbraw/zinc/14/23/57/1386142357.db2.gz ZUYZSXPCGMWRKI-QLKAYGNNSA-N 0 3 339.461 3.389 20 5 EGBDHN CC([C@@H](OC(=O)c1cnn(C2CCC2)c1)c1ccccc1F)[N+](=O)[O-] ZINC001346535737 1390950828 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EGBDHN CCN1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000035014098 213003235 /nfs/dbraw/zinc/00/32/35/213003235.db2.gz LBPMOIDITJVMIT-UHFFFAOYSA-N 0 3 328.210 3.254 20 5 EGBDHN C[C@H]1CCSCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000191813652 239313541 /nfs/dbraw/zinc/31/35/41/239313541.db2.gz DEOAYDFRFQSEAZ-ZDUSSCGKSA-N 0 3 346.456 3.323 20 5 EGBDHN CC(C)c1ccc([C@@H](N)CNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000236721070 242333797 /nfs/dbraw/zinc/33/37/97/242333797.db2.gz TYEXJALRPTZAQH-KRWDZBQOSA-N 0 3 341.411 3.077 20 5 EGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H](N)c1ccccc1 ZINC000236797074 242359386 /nfs/dbraw/zinc/35/93/86/242359386.db2.gz NZFWVEUPVADMLC-SFHVURJKSA-N 0 3 341.411 3.422 20 5 EGBDHN COc1ccc(CN2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000378401833 169115140 /nfs/dbraw/zinc/11/51/40/169115140.db2.gz LDZNQGBJBHABIU-HOCLYGCPSA-N 0 3 334.416 3.242 20 5 EGBDHN Cc1c(CN2CCC[C@H](CNC(=O)C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000112700707 220377367 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CC[C@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000341226925 155213902 /nfs/dbraw/zinc/21/39/02/155213902.db2.gz IBDHSGYIRCRQSX-ROUUACIJSA-N 0 3 339.395 3.441 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@]3(C)CCOC3)o2)c([N+](=O)[O-])c1 ZINC000120207532 152260069 /nfs/dbraw/zinc/26/00/69/152260069.db2.gz GNLMXGAIKQEODI-QGZVFWFLSA-N 0 3 332.356 3.132 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)CN(C)Cc1ccccc1 ZINC000310423408 154141395 /nfs/dbraw/zinc/14/13/95/154141395.db2.gz LKLJDIQPQRJWHN-CYBMUJFWSA-N 0 3 331.420 3.052 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](c2nccn2C)C1 ZINC000349155595 156370287 /nfs/dbraw/zinc/37/02/87/156370287.db2.gz WBVXVLYRAKDHSO-DKGMDFAASA-N 0 3 326.400 3.221 20 5 EGBDHN C[C@@H](N[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000109146841 162095274 /nfs/dbraw/zinc/09/52/74/162095274.db2.gz VTMKLSHDCXEGRS-CXAGYDPISA-N 0 3 325.368 3.051 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@H]3CCCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000114215877 162224857 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O=[N+]([O-])c1cccc(OC[C@@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000351904912 165143854 /nfs/dbraw/zinc/14/38/54/165143854.db2.gz RCYPPMKILQKWNZ-IBGZPJMESA-N 0 3 342.395 3.265 20 5 EGBDHN CCN(CCC1CC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000355063355 166098056 /nfs/dbraw/zinc/09/80/56/166098056.db2.gz RCHFXZWAKJPHBN-LBPRGKRZSA-N 0 3 335.404 3.052 20 5 EGBDHN CC(C)(C)[C@H]1NC(=O)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000353145707 165647055 /nfs/dbraw/zinc/64/70/55/165647055.db2.gz XJNOSIQDQXTVKZ-HIFRSBDPSA-N 0 3 339.823 3.031 20 5 EGBDHN COc1ccc(-c2ccc(CN(C)CC3(O)CCC3)o2)c([N+](=O)[O-])c1 ZINC000355360869 166174863 /nfs/dbraw/zinc/17/48/63/166174863.db2.gz GFYNUVMXQARGNL-UHFFFAOYSA-N 0 3 346.383 3.210 20 5 EGBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1CC(O)C1 ZINC000355369414 166176875 /nfs/dbraw/zinc/17/68/75/166176875.db2.gz QTTJTLKKTZWJLK-UHFFFAOYSA-N 0 3 336.775 3.463 20 5 EGBDHN CC[C@H](C)N[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccco1 ZINC000359567022 167197013 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CN1CCC[C@]2(CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)C1 ZINC000292881450 308076028 /nfs/dbraw/zinc/07/60/28/308076028.db2.gz UVHTZAOKHACVMU-SFHVURJKSA-N 0 3 326.400 3.065 20 5 EGBDHN C[C@H](N[C@@H](C)[C@@H](O)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293611490 308146228 /nfs/dbraw/zinc/14/62/28/308146228.db2.gz GOQOVWHYMXTBPW-PSVSLLHZSA-N 0 3 333.363 3.089 20 5 EGBDHN Cc1nnsc1CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000293896279 308171997 /nfs/dbraw/zinc/17/19/97/308171997.db2.gz ZIVYGJAPESUMQA-OCCSQVGLSA-N 0 3 332.429 3.256 20 5 EGBDHN C[C@H](NC(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccccc1 ZINC000294721936 308249858 /nfs/dbraw/zinc/24/98/58/308249858.db2.gz WQQVISZXFJHENS-AWEZNQCLSA-N 0 3 335.448 3.068 20 5 EGBDHN C[C@H]1[C@@H](CO)CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414579768 309090327 /nfs/dbraw/zinc/09/03/27/309090327.db2.gz QAKQAHJRNWSLOO-DZGCQCFKSA-N 0 3 330.384 3.448 20 5 EGBDHN CC[C@](CNCc1ccc([N+](=O)[O-])cc1)(C(=O)OC)c1ccccc1 ZINC000414594546 309091123 /nfs/dbraw/zinc/09/11/23/309091123.db2.gz YLYDSQGFWZWZTP-LJQANCHMSA-N 0 3 342.395 3.205 20 5 EGBDHN CC[C@@H](COCC(F)(F)F)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297181306 308507375 /nfs/dbraw/zinc/50/73/75/308507375.db2.gz DXLVXCHJBAYPCN-KOLCDFICSA-N 0 3 335.326 3.185 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CC3)CC2)c(C(F)(F)F)c1 ZINC000301064101 308686846 /nfs/dbraw/zinc/68/68/46/308686846.db2.gz CVYZPMLRGSMODB-UHFFFAOYSA-N 0 3 329.322 3.146 20 5 EGBDHN C[C@H]1CN(CCC2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000301596325 308706736 /nfs/dbraw/zinc/70/67/36/308706736.db2.gz ZILRADMKSXZNMB-HOTGVXAUSA-N 0 3 347.459 3.311 20 5 EGBDHN Cc1cccc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000302519036 308738683 /nfs/dbraw/zinc/73/86/83/308738683.db2.gz WNXWYZJEMAARAY-HOTGVXAUSA-N 0 3 347.459 3.229 20 5 EGBDHN Cc1c(CN[C@H](C)CC(=O)N2CCCCCC2)cccc1[N+](=O)[O-] ZINC000331526687 308809547 /nfs/dbraw/zinc/80/95/47/308809547.db2.gz OIJXAGKEBYSSAJ-CQSZACIVSA-N 0 3 333.432 3.174 20 5 EGBDHN C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000413172738 309019718 /nfs/dbraw/zinc/01/97/18/309019718.db2.gz PZCXALIKHKICTC-AWEZNQCLSA-N 0 3 344.390 3.230 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCNc1ccccn1)CCCC2 ZINC000417317664 309201478 /nfs/dbraw/zinc/20/14/78/309201478.db2.gz XEIOAIVVPMLAGT-QGZVFWFLSA-N 0 3 326.400 3.459 20 5 EGBDHN O=C(CCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)N1CCCCC1 ZINC000417320902 309201516 /nfs/dbraw/zinc/20/15/16/309201516.db2.gz KLBBBCLJUJFSIB-SFHVURJKSA-N 0 3 345.443 3.355 20 5 EGBDHN Cc1nnc(CCN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000417352200 309202798 /nfs/dbraw/zinc/20/27/98/309202798.db2.gz UTVAQUQNQRSLRZ-OAHLLOKOSA-N 0 3 332.429 3.355 20 5 EGBDHN CC[C@H](C)CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000421392627 309322444 /nfs/dbraw/zinc/32/24/44/309322444.db2.gz XVGQNMIFCKDFID-JTQLQIEISA-N 0 3 332.347 3.383 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCN(C)C)Cc1ccco1 ZINC000421514645 309327912 /nfs/dbraw/zinc/32/79/12/309327912.db2.gz FXJAWSKZZZBJIT-UHFFFAOYSA-N 0 3 345.399 3.009 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000422841910 309371592 /nfs/dbraw/zinc/37/15/92/309371592.db2.gz XEPDIJATKANPQC-UHFFFAOYSA-N 0 3 339.395 3.418 20 5 EGBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H](N)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000423270153 309393379 /nfs/dbraw/zinc/39/33/79/309393379.db2.gz GFKKMASBANABLN-CJNGLKHVSA-N 0 3 333.432 3.378 20 5 EGBDHN COc1ccc(NC(=O)C(C)(C)[C@@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000423723278 309410817 /nfs/dbraw/zinc/41/08/17/309410817.db2.gz LJLKXWRWJAONFD-INIZCTEOSA-N 0 3 343.383 3.268 20 5 EGBDHN CC(C)(NCCc1ccc2c(c1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000429247414 309575170 /nfs/dbraw/zinc/57/51/70/309575170.db2.gz JJANYPLENSYKLC-UHFFFAOYSA-N 0 3 342.395 3.433 20 5 EGBDHN CCOC(=O)C[C@@](C)(NCc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000430206449 309601374 /nfs/dbraw/zinc/60/13/74/309601374.db2.gz WANPSHUTYLCQQW-QGZVFWFLSA-N 0 3 338.404 3.061 20 5 EGBDHN CC(C)(C[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000449410587 310059800 /nfs/dbraw/zinc/05/98/00/310059800.db2.gz XXXCRILBWDBRBC-AJHXJQRKSA-N 0 3 345.443 3.222 20 5 EGBDHN CCO[C@@H]1C[C@H](NCc2cc(OC)c(F)cc2[N+](=O)[O-])C12CCC2 ZINC000451474079 310180015 /nfs/dbraw/zinc/18/00/15/310180015.db2.gz ALTCLZJYFYNQSH-JKSUJKDBSA-N 0 3 338.379 3.180 20 5 EGBDHN CCOc1cc(CN[C@@H]2C[C@@H](OCC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451483371 310180683 /nfs/dbraw/zinc/18/06/83/310180683.db2.gz VNGUVXLRTUTUJD-IAGOWNOFSA-N 0 3 334.416 3.431 20 5 EGBDHN Cc1cc(C)c(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000453345707 310272256 /nfs/dbraw/zinc/27/22/56/310272256.db2.gz FMRFCIYTLBMNPJ-HOTGVXAUSA-N 0 3 329.404 3.077 20 5 EGBDHN C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C)C1 ZINC000454513795 310314080 /nfs/dbraw/zinc/31/40/80/310314080.db2.gz RGXSHEPNIGDOPA-KFWWJZLASA-N 0 3 348.447 3.075 20 5 EGBDHN COC(=O)CC1(NCc2cc([N+](=O)[O-])ccc2C(F)(F)F)CCC1 ZINC000459387408 310549296 /nfs/dbraw/zinc/54/92/96/310549296.db2.gz JIUIYXZVTDHKGB-UHFFFAOYSA-N 0 3 346.305 3.189 20 5 EGBDHN Cc1cc(NC[C@]2(C)CCO[C@@H]2C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000466640531 310656131 /nfs/dbraw/zinc/65/61/31/310656131.db2.gz QEIXRWGMWALERP-MOPGFXCFSA-N 0 3 341.411 3.490 20 5 EGBDHN Cc1cccc(C[C@@H](CO)NC/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000466891652 310662513 /nfs/dbraw/zinc/66/25/13/310662513.db2.gz SRXLCANGVVZNQP-ZETNRXDVSA-N 0 3 326.396 3.110 20 5 EGBDHN Cc1ccc([C@H](NCCn2ccc([N+](=O)[O-])n2)c2ccccc2)cc1 ZINC000478424705 310858924 /nfs/dbraw/zinc/85/89/24/310858924.db2.gz DZINQFYIPUTBCG-LJQANCHMSA-N 0 3 336.395 3.479 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cc4ccccc4o3)CC2)n1 ZINC000489013325 311089440 /nfs/dbraw/zinc/08/94/40/311089440.db2.gz NUFRPRBCTBTYPZ-UHFFFAOYSA-N 0 3 326.356 3.375 20 5 EGBDHN CN(C)Cc1ccccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492836658 311297301 /nfs/dbraw/zinc/29/73/01/311297301.db2.gz KCQWCEQOHJSTKR-KHPPLWFESA-N 0 3 325.368 3.308 20 5 EGBDHN C[C@@H](C[C@H](C)NC(=O)OC(C)(C)C)NCc1csc([N+](=O)[O-])c1 ZINC000496201188 311677475 /nfs/dbraw/zinc/67/74/75/311677475.db2.gz SWYNIPPEABOFCE-QWRGUYRKSA-N 0 3 343.449 3.438 20 5 EGBDHN C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000511370654 312159127 /nfs/dbraw/zinc/15/91/27/312159127.db2.gz UVHQFZJYZIJNJA-JTQLQIEISA-N 0 3 340.221 3.420 20 5 EGBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000520163242 312493731 /nfs/dbraw/zinc/49/37/31/312493731.db2.gz DVISKYFIGNNCAH-UHFFFAOYSA-N 0 3 347.802 3.457 20 5 EGBDHN CN1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000536452550 314114746 /nfs/dbraw/zinc/11/47/46/314114746.db2.gz FAUHMIQVYJUKSE-LJQANCHMSA-N 0 3 325.412 3.126 20 5 EGBDHN C[C@H](O)CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000536649126 314134149 /nfs/dbraw/zinc/13/41/49/314134149.db2.gz GAQVOVMPAVOBKV-BPLPYTOXSA-N 0 3 326.396 3.491 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1ccc(-n2cncn2)cc1 ZINC000539088881 314295720 /nfs/dbraw/zinc/29/57/20/314295720.db2.gz CAWBUXUKHPSARK-CQSZACIVSA-N 0 3 337.383 3.335 20 5 EGBDHN CC(C)c1ccc(CNC[C@@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000540619477 314392906 /nfs/dbraw/zinc/39/29/06/314392906.db2.gz ALABSEZBZMAXKM-HNNXBMFYSA-N 0 3 332.400 3.252 20 5 EGBDHN COc1cc(CNC2(C3CC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000541595612 314472896 /nfs/dbraw/zinc/47/28/96/314472896.db2.gz VFIPYLNTTKALBJ-UHFFFAOYSA-N 0 3 328.315 3.237 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000553398579 315261557 /nfs/dbraw/zinc/26/15/57/315261557.db2.gz HAJOBJCZHYMEKW-HNNXBMFYSA-N 0 3 333.432 3.033 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000562477681 315839308 /nfs/dbraw/zinc/83/93/08/315839308.db2.gz NFQSMPZVTFZHQX-SUMWQHHRSA-N 0 3 345.443 3.201 20 5 EGBDHN COCC[C@@H](Cc1ccco1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564226492 316126037 /nfs/dbraw/zinc/12/60/37/316126037.db2.gz YSZDAUFTFBHHMK-GUYCJALGSA-N 0 3 330.384 3.413 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H]2CCCc3sccc32)c1 ZINC000572632785 317367214 /nfs/dbraw/zinc/36/72/14/317367214.db2.gz SEULDGPWYJZGKZ-CJNGLKHVSA-N 0 3 348.424 3.063 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H](CO)C2CCCC2)o1 ZINC000574369382 317590246 /nfs/dbraw/zinc/59/02/46/317590246.db2.gz HMMSHKQQRQBFIM-MRXNPFEDSA-N 0 3 330.384 3.496 20 5 EGBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000577480523 324813774 /nfs/dbraw/zinc/81/37/74/324813774.db2.gz UQBNTNIQAJNQJS-AWEZNQCLSA-N 0 3 338.770 3.497 20 5 EGBDHN CCN(CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000010448393 453291147 /nfs/dbraw/zinc/29/11/47/453291147.db2.gz CORDFWYIXMLBRO-GOSISDBHSA-N 0 3 341.411 3.408 20 5 EGBDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081533652 453883598 /nfs/dbraw/zinc/88/35/98/453883598.db2.gz MXVMJFXCKMPBPP-LJQANCHMSA-N 0 3 325.412 3.301 20 5 EGBDHN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3CN3CCCCC3)nc2c1 ZINC000083170545 453941672 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CC(=O)c1ccc(N2CC[C@H](CN3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000078424938 454251064 /nfs/dbraw/zinc/25/10/64/454251064.db2.gz JMINOVRSMRHXQS-OAHLLOKOSA-N 0 3 331.416 3.110 20 5 EGBDHN COc1cccc([C@H](CNc2ccc([N+](=O)[O-])cn2)N2CCCC2)c1 ZINC000072672742 454325889 /nfs/dbraw/zinc/32/58/89/454325889.db2.gz AXJHFKWIUQVXSM-KRWDZBQOSA-N 0 3 342.399 3.247 20 5 EGBDHN COc1ccc(-c2ccc(CN3CCC[C@@H](OC)C3)o2)c([N+](=O)[O-])c1 ZINC000091772581 454469392 /nfs/dbraw/zinc/46/93/92/454469392.db2.gz DKQJLZXMBJIAKN-CQSZACIVSA-N 0 3 346.383 3.474 20 5 EGBDHN COC(=O)[C@H](C)[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000079937828 454501657 /nfs/dbraw/zinc/50/16/57/454501657.db2.gz CZKWYUUEUYKFKB-RDTXWAMCSA-N 0 3 342.395 3.277 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](Nc3ccccc3)C2)c1 ZINC000102845861 454523140 /nfs/dbraw/zinc/52/31/40/454523140.db2.gz SKFWVRNDMMNZFT-INIZCTEOSA-N 0 3 327.384 3.160 20 5 EGBDHN C[C@@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1 ZINC000092540260 454583098 /nfs/dbraw/zinc/58/30/98/454583098.db2.gz XFQKNZYEBCBNOM-CHWSQXEVSA-N 0 3 346.456 3.321 20 5 EGBDHN COc1ccc(-c2ccc(CNC[C@H](C)C[C@@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000123459541 454640393 /nfs/dbraw/zinc/64/03/93/454640393.db2.gz YVHULZMMHLDCJX-CHWSQXEVSA-N 0 3 348.399 3.360 20 5 EGBDHN COCCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[C@@H](C)C1 ZINC000616873169 460650539 /nfs/dbraw/zinc/65/05/39/460650539.db2.gz WUDXPUQMMPYHKC-OLZOCXBDSA-N 0 3 333.388 3.373 20 5 EGBDHN Cc1cccc(C(=O)NC[C@@H]2CCCCN2CC(C)C)c1[N+](=O)[O-] ZINC000154229670 454875886 /nfs/dbraw/zinc/87/58/86/454875886.db2.gz AJBIZAHJCZHDCK-HNNXBMFYSA-N 0 3 333.432 3.144 20 5 EGBDHN Cc1c([C@H](C)NCCc2nnc3n2CCCCC3)cccc1[N+](=O)[O-] ZINC000126628747 454906436 /nfs/dbraw/zinc/90/64/36/454906436.db2.gz DXMOLSLIOAMNPT-AWEZNQCLSA-N 0 3 343.431 3.114 20 5 EGBDHN CC[C@@H](NCc1cccnc1-n1cccn1)c1cccc([N+](=O)[O-])c1 ZINC000177905467 454918279 /nfs/dbraw/zinc/91/82/79/454918279.db2.gz TVVBXUDBVMYPLU-QGZVFWFLSA-N 0 3 337.383 3.416 20 5 EGBDHN Cc1ccc([C@@H](C)N[C@@H]2CCN(c3ncccc3F)C2)cc1[N+](=O)[O-] ZINC000168158126 454925280 /nfs/dbraw/zinc/92/52/80/454925280.db2.gz NHUZSKJEXPVZMX-UKRRQHHQSA-N 0 3 344.390 3.367 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000128294810 455043339 /nfs/dbraw/zinc/04/33/39/455043339.db2.gz PWTGSLJBZLIXIJ-UHFFFAOYSA-N 0 3 346.387 3.092 20 5 EGBDHN C[C@@H](c1ccncc1)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129528216 455115441 /nfs/dbraw/zinc/11/54/41/455115441.db2.gz VLBJQQJVHXYNET-LBPRGKRZSA-N 0 3 346.362 3.151 20 5 EGBDHN COC(=O)[C@@]1(C)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180080003 455128953 /nfs/dbraw/zinc/12/89/53/455128953.db2.gz UPWGLXONLLIBKW-SFHVURJKSA-N 0 3 344.367 3.240 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCCC(F)(F)F)C2)nc1 ZINC000157467685 455197007 /nfs/dbraw/zinc/19/70/07/455197007.db2.gz VTYNEMNZLWTFAC-NSHDSACASA-N 0 3 332.326 3.209 20 5 EGBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCC[C@H]1O ZINC000245744784 455370754 /nfs/dbraw/zinc/37/07/54/455370754.db2.gz GOPHDWWIMWALMF-RHSMWYFYSA-N 0 3 330.384 3.448 20 5 EGBDHN C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000181771370 455381316 /nfs/dbraw/zinc/38/13/16/455381316.db2.gz NFVKXLOQWKKGNM-ZDUSSCGKSA-N 0 3 341.411 3.150 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000159689281 455396713 /nfs/dbraw/zinc/39/67/13/455396713.db2.gz ODDRSQWGVGCLJW-WFASDCNBSA-N 0 3 328.372 3.409 20 5 EGBDHN CC[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000182177634 455453811 /nfs/dbraw/zinc/45/38/11/455453811.db2.gz HGEHSZMUGAIOTH-DLBZAZTESA-N 0 3 344.411 3.384 20 5 EGBDHN Cc1cccc(C[C@H](CO)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000191599531 455502052 /nfs/dbraw/zinc/50/20/52/455502052.db2.gz SQIAVWQABOCPSN-CRAIPNDOSA-N 0 3 328.412 3.466 20 5 EGBDHN Cc1ccc([C@H](C)NCCCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247890573 455652053 /nfs/dbraw/zinc/65/20/53/455652053.db2.gz FFNHNMHOSCKPIV-JYJNAYRXSA-N 0 3 335.448 3.053 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCCCN(C)Cc1ccccc1 ZINC000192930671 455720578 /nfs/dbraw/zinc/72/05/78/455720578.db2.gz AIKNDNDBZJIEML-UHFFFAOYSA-N 0 3 341.411 3.155 20 5 EGBDHN C[C@@]1(CCCO)CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272020756 455823147 /nfs/dbraw/zinc/82/31/47/455823147.db2.gz MUIDUFSSTZCDJB-SFHVURJKSA-N 0 3 345.399 3.377 20 5 EGBDHN Cc1cc(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000187251346 455886979 /nfs/dbraw/zinc/88/69/79/455886979.db2.gz GPBSARQUYKPDHM-KBXCAEBGSA-N 0 3 341.411 3.324 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000187249938 455887256 /nfs/dbraw/zinc/88/72/56/455887256.db2.gz NKXJYLUMLZFURD-KSSFIOAISA-N 0 3 341.411 3.324 20 5 EGBDHN Cc1sc(C(=O)Nc2ccc3c(c2F)CCNC3)cc1[N+](=O)[O-] ZINC000261820088 455953989 /nfs/dbraw/zinc/95/39/89/455953989.db2.gz XUNOBITYLPIQGT-UHFFFAOYSA-N 0 3 335.360 3.002 20 5 EGBDHN COc1cc(CNCC2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272504511 455973930 /nfs/dbraw/zinc/97/39/30/455973930.db2.gz WBKFUNYASIPUTJ-UHFFFAOYSA-N 0 3 330.331 3.137 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000272633336 456020647 /nfs/dbraw/zinc/02/06/47/456020647.db2.gz XHOCLMOGGPVKHQ-AWEZNQCLSA-N 0 3 348.447 3.406 20 5 EGBDHN Cc1cc(NCCCOC2CCOCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272817768 456078116 /nfs/dbraw/zinc/07/81/16/456078116.db2.gz IHSDDFPGKCNQHQ-UHFFFAOYSA-N 0 3 345.399 3.449 20 5 EGBDHN COc1cc(NC[C@@H](C)N2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301359521 456098890 /nfs/dbraw/zinc/09/88/90/456098890.db2.gz LMADBUPOAXVXKE-CQSZACIVSA-N 0 3 341.411 3.462 20 5 EGBDHN COCc1cc([N+](=O)[O-])ccc1NCCN1CCc2ccccc2C1 ZINC000301445342 456118235 /nfs/dbraw/zinc/11/82/35/456118235.db2.gz PNIYDWXHUIXKNE-UHFFFAOYSA-N 0 3 341.411 3.211 20 5 EGBDHN C[C@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272955017 456123689 /nfs/dbraw/zinc/12/36/89/456123689.db2.gz NATPUZVKVRYPHG-JTQLQIEISA-N 0 3 338.795 3.020 20 5 EGBDHN Cc1nc(N2CCCN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301648917 456173223 /nfs/dbraw/zinc/17/32/23/456173223.db2.gz IVZDMXFPOOAUSD-OAHLLOKOSA-N 0 3 340.427 3.399 20 5 EGBDHN Cc1nc(NCCCN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301663624 456178604 /nfs/dbraw/zinc/17/86/04/456178604.db2.gz VOSXQDHWFRBDIS-UHFFFAOYSA-N 0 3 326.400 3.159 20 5 EGBDHN COc1cc(CNCC2CCC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000237135291 456237415 /nfs/dbraw/zinc/23/74/15/456237415.db2.gz COPPCFSPVJVUBZ-UHFFFAOYSA-N 0 3 348.321 3.434 20 5 EGBDHN O=[N+]([O-])c1cccc(F)c1NCC1CCN(c2ccncc2)CC1 ZINC000342917347 456312610 /nfs/dbraw/zinc/31/26/10/456312610.db2.gz MYVNDQGEBBIPRY-UHFFFAOYSA-N 0 3 330.363 3.457 20 5 EGBDHN Cc1cc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000302191811 456313058 /nfs/dbraw/zinc/31/30/58/456313058.db2.gz ZLTOPNMQJZXANL-GDBMZVCRSA-N 0 3 326.400 3.231 20 5 EGBDHN CC[C@H]1CCCN(C(C)(C)CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000347829762 456389840 /nfs/dbraw/zinc/38/98/40/456389840.db2.gz ZGENEKWZBBPMAV-LBPRGKRZSA-N 0 3 339.461 3.287 20 5 EGBDHN O=C(CN1CCC[C@@H]2CCCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000302914131 456436208 /nfs/dbraw/zinc/43/62/08/456436208.db2.gz UVFZYYROAAFLMJ-YOEHRIQHSA-N 0 3 343.427 3.139 20 5 EGBDHN COc1ccncc1CN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000340402409 456439087 /nfs/dbraw/zinc/43/90/87/456439087.db2.gz FSDLVVFEIVUEAF-PBHICJAKSA-N 0 3 341.411 3.499 20 5 EGBDHN CCO[C@H]1COCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353158547 456530374 /nfs/dbraw/zinc/53/03/74/456530374.db2.gz WKFFIMSRNCDYJL-AEFFLSMTSA-N 0 3 346.383 3.138 20 5 EGBDHN C[C@H](Cn1cccn1)NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000337900585 456592347 /nfs/dbraw/zinc/59/23/47/456592347.db2.gz PTDMCEACOSYMDT-CYBMUJFWSA-N 0 3 326.356 3.230 20 5 EGBDHN C[C@@H]1CCN(C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353433298 456695277 /nfs/dbraw/zinc/69/52/77/456695277.db2.gz FNAUVHSPWPYMFR-CQSZACIVSA-N 0 3 329.400 3.381 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1NCC1(N2CCSCC2)CCCC1 ZINC000301165897 456811742 /nfs/dbraw/zinc/81/17/42/456811742.db2.gz CANUFBATYMXUGM-UHFFFAOYSA-N 0 3 336.461 3.072 20 5 EGBDHN Cc1c(CC(=O)Nc2ccccc2CCN(C)C)cccc1[N+](=O)[O-] ZINC000354212163 457134583 /nfs/dbraw/zinc/13/45/83/457134583.db2.gz PLMBWHXOPURGKN-UHFFFAOYSA-N 0 3 341.411 3.189 20 5 EGBDHN C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCN1C ZINC000356788838 457167409 /nfs/dbraw/zinc/16/74/09/457167409.db2.gz DRJWKAGBMQCNMU-KGLIPLIRSA-N 0 3 326.400 3.186 20 5 EGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CCC[C@@H](CO)C2)c1 ZINC000342239839 457186480 /nfs/dbraw/zinc/18/64/80/457186480.db2.gz GPKLQJUSTZETBP-NWDGAFQWSA-N 0 3 344.358 3.085 20 5 EGBDHN CCN1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000354417749 457209515 /nfs/dbraw/zinc/20/95/15/457209515.db2.gz CNWIWCXNZKZFOU-AAEUAGOBSA-N 0 3 339.823 3.193 20 5 EGBDHN CN(C)Cc1cccc(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000347296663 457338662 /nfs/dbraw/zinc/33/86/62/457338662.db2.gz FZWINCSCXKLLGY-UHFFFAOYSA-N 0 3 346.362 3.117 20 5 EGBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000347350408 457368301 /nfs/dbraw/zinc/36/83/01/457368301.db2.gz AVVQNCATRHUUMH-LRFDDAOPSA-N 0 3 341.415 3.304 20 5 EGBDHN CC(=Cc1cccc([N+](=O)[O-])c1)CN1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000347350408 457368305 /nfs/dbraw/zinc/36/83/05/457368305.db2.gz AVVQNCATRHUUMH-LRFDDAOPSA-N 0 3 341.415 3.304 20 5 EGBDHN O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CCN(Cc4ccccc4)C3)c21 ZINC000347404494 457404551 /nfs/dbraw/zinc/40/45/51/457404551.db2.gz XGDXUIVDRXAASO-OAHLLOKOSA-N 0 3 349.394 3.224 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425272542 457477244 /nfs/dbraw/zinc/47/72/44/457477244.db2.gz GNPFVJVNFHMYCK-FUHWJXTLSA-N 0 3 338.411 3.009 20 5 EGBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCN(C)CC ZINC000347580702 457523745 /nfs/dbraw/zinc/52/37/45/457523745.db2.gz AMUUPGKINMVXMK-UHFFFAOYSA-N 0 3 339.461 3.169 20 5 EGBDHN C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)CN1C ZINC000361170276 457627098 /nfs/dbraw/zinc/62/70/98/457627098.db2.gz YHHWCGFXTPYFLE-KBPBESRZSA-N 0 3 329.400 3.379 20 5 EGBDHN CCO[C@@H]1C[C@H](N(C)CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000357802031 457695168 /nfs/dbraw/zinc/69/51/68/457695168.db2.gz LDOFTRZKEZPOOX-DLBZAZTESA-N 0 3 334.416 3.253 20 5 EGBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCc2ccccc2C1 ZINC000444646469 457927794 /nfs/dbraw/zinc/92/77/94/457927794.db2.gz BHEXFEPVBPLUCO-HNNXBMFYSA-N 0 3 336.395 3.460 20 5 EGBDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444667063 457932856 /nfs/dbraw/zinc/93/28/56/457932856.db2.gz XZGQXMMNWITMFA-XJKSGUPXSA-N 0 3 349.431 3.443 20 5 EGBDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000444667061 457933724 /nfs/dbraw/zinc/93/37/24/457933724.db2.gz XZGQXMMNWITMFA-CJNGLKHVSA-N 0 3 349.431 3.443 20 5 EGBDHN CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCC[C@@H]1C ZINC000444671257 457933940 /nfs/dbraw/zinc/93/39/40/457933940.db2.gz ZONOPGVSKVOBOE-BBRMVZONSA-N 0 3 349.431 3.443 20 5 EGBDHN CC[C@@H]1CCCC[C@@H]1N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000444675657 457934910 /nfs/dbraw/zinc/93/49/10/457934910.db2.gz MIEQCYLPDPPYCL-PBHICJAKSA-N 0 3 345.443 3.385 20 5 EGBDHN COCCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[C@@H]1C ZINC000444696185 457943837 /nfs/dbraw/zinc/94/38/37/457943837.db2.gz VDOCKFBYLIFLPW-BLLLJJGKSA-N 0 3 332.404 3.108 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412054413 458071063 /nfs/dbraw/zinc/07/10/63/458071063.db2.gz IIECMCJKCBBNCE-HZPDHXFCSA-N 0 3 345.443 3.441 20 5 EGBDHN COc1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000447559873 458311338 /nfs/dbraw/zinc/31/13/38/458311338.db2.gz BKRQQBJMKHVTII-CABCVRRESA-N 0 3 348.378 3.213 20 5 EGBDHN CCOc1cccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369683168 458315093 /nfs/dbraw/zinc/31/50/93/458315093.db2.gz JQGFUPAYNKBRRC-UHFFFAOYSA-N 0 3 330.388 3.027 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H]1NCCc3ccccc31)CCC2 ZINC000423445534 458434787 /nfs/dbraw/zinc/43/47/87/458434787.db2.gz YJCSXJBVPPFVPE-UXHICEINSA-N 0 3 337.423 3.449 20 5 EGBDHN C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1Cc1cccc([N+](=O)[O-])c1 ZINC000493990069 458612280 /nfs/dbraw/zinc/61/22/80/458612280.db2.gz XCGMPFQFNDCHIR-DZGCQCFKSA-N 0 3 349.431 3.330 20 5 EGBDHN CS[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1N1CCCC1 ZINC000432152389 458690923 /nfs/dbraw/zinc/69/09/23/458690923.db2.gz JMODQTPIYYKCHM-KGLIPLIRSA-N 0 3 341.864 3.264 20 5 EGBDHN C[C@H]1C[C@H](O)CN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000471809590 458734167 /nfs/dbraw/zinc/73/41/67/458734167.db2.gz IMYJPALCMIOGMG-JQWIXIFHSA-N 0 3 336.775 3.463 20 5 EGBDHN CCC[C@H]1[C@H](C)CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000464734929 458766373 /nfs/dbraw/zinc/76/63/73/458766373.db2.gz KTHJOKQELQTZKG-PBHICJAKSA-N 0 3 333.432 3.458 20 5 EGBDHN COC(=O)COc1ccc(CN(C)[C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000530553333 458790238 /nfs/dbraw/zinc/79/02/38/458790238.db2.gz MIZCRPYSPCWCHK-GFCCVEGCSA-N 0 3 338.404 3.013 20 5 EGBDHN COC(=O)N1CCC[C@H]([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000495555445 458881681 /nfs/dbraw/zinc/88/16/81/458881681.db2.gz FZHPTBDZDOPETD-IHRRRGAJSA-N 0 3 335.404 3.112 20 5 EGBDHN Cc1ccccc1C[C@@H](CO)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000466900038 458929779 /nfs/dbraw/zinc/92/97/79/458929779.db2.gz OSRAWIGZPOXSKB-TWVNLXSWSA-N 0 3 326.396 3.110 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589949553 459056429 /nfs/dbraw/zinc/05/64/29/459056429.db2.gz CADYCUFYORZALK-MISXGVKJSA-N 0 3 332.322 3.400 20 5 EGBDHN Cc1c([C@@H](C)N[C@H](CO)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000557274362 459060530 /nfs/dbraw/zinc/06/05/30/459060530.db2.gz SFPOLJVIEZJILP-CJNGLKHVSA-N 0 3 332.375 3.297 20 5 EGBDHN CCN(CCN1CCCCCC1)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000558051940 459129180 /nfs/dbraw/zinc/12/91/80/459129180.db2.gz IRDLEPRCAWCEIU-INIZCTEOSA-N 0 3 347.459 3.423 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1(SC)CCOCC1 ZINC000595030267 459221816 /nfs/dbraw/zinc/22/18/16/459221816.db2.gz ZVTCGNQCNPSKSZ-GFCCVEGCSA-N 0 3 340.445 3.166 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](CO)Cc1ccc(C)cc1 ZINC000595041343 459225503 /nfs/dbraw/zinc/22/55/03/459225503.db2.gz PEKWYHBIGWZACV-ZBFHGGJFSA-N 0 3 344.411 3.166 20 5 EGBDHN CC[C@H](C)[C@H](C)N(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000533422405 459231432 /nfs/dbraw/zinc/23/14/32/459231432.db2.gz KFZQLSBWGFWBTJ-STQMWFEESA-N 0 3 349.431 3.441 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CNCCCc1ccc2c(c1)CCO2 ZINC000482240565 459298322 /nfs/dbraw/zinc/29/83/22/459298322.db2.gz GXHRBEUQPOATSG-UHFFFAOYSA-N 0 3 342.395 3.261 20 5 EGBDHN COc1ccc([C@@H](CO)CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000591245109 459339937 /nfs/dbraw/zinc/33/99/37/459339937.db2.gz KAXBNLPTCFYRDJ-GDBMZVCRSA-N 0 3 344.411 3.339 20 5 EGBDHN CN(CCOc1ccccc1C(C)(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000483318669 459359489 /nfs/dbraw/zinc/35/94/89/459359489.db2.gz YZTSAEKPVKKFTC-UHFFFAOYSA-N 0 3 346.431 3.100 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)C[C@@H](N)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000569109859 459397355 /nfs/dbraw/zinc/39/73/55/459397355.db2.gz RWUKSDBSBMTYTO-YOEHRIQHSA-N 0 3 341.411 3.041 20 5 EGBDHN COCCN1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596090704 459515727 /nfs/dbraw/zinc/51/57/27/459515727.db2.gz TVEAEBDYQDQHLZ-UHFFFAOYSA-N 0 3 329.347 3.055 20 5 EGBDHN O=c1[n-]ccc(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596091808 459517715 /nfs/dbraw/zinc/51/77/15/459517715.db2.gz DDYXFYYRVZEUDS-HNNXBMFYSA-N 0 3 342.399 3.020 20 5 EGBDHN O=c1[n-]ccc(NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000596091808 459517721 /nfs/dbraw/zinc/51/77/21/459517721.db2.gz DDYXFYYRVZEUDS-HNNXBMFYSA-N 0 3 342.399 3.020 20 5 EGBDHN C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc[n-]c(=O)c2[N+](=O)[O-])CC1 ZINC000596132418 459531575 /nfs/dbraw/zinc/53/15/75/459531575.db2.gz KOLHPPMTNYDDFH-CYBMUJFWSA-N 0 3 342.399 3.333 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CC(C)(CNCc1nc2cc([N+](=O)[O-])ccc2o1)N1CCCCC1 ZINC000602501128 459971245 /nfs/dbraw/zinc/97/12/45/459971245.db2.gz ALTLCEBLAVIRRS-UHFFFAOYSA-N 0 3 332.404 3.090 20 5 EGBDHN CCOCCCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602519713 459980264 /nfs/dbraw/zinc/98/02/64/459980264.db2.gz INHBOVJCTAFHRN-UHFFFAOYSA-N 0 3 337.239 3.325 20 5 EGBDHN Cc1c(NC(=O)CCN2CC(C)(C)OCC2(C)C)cccc1[N+](=O)[O-] ZINC000609672081 460006147 /nfs/dbraw/zinc/00/61/47/460006147.db2.gz YAOMMIXSUPJOKM-UHFFFAOYSA-N 0 3 349.431 3.121 20 5 EGBDHN Cc1nccnc1CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602673988 460058511 /nfs/dbraw/zinc/05/85/11/460058511.db2.gz BCUBNQFVLHANQK-UHFFFAOYSA-N 0 3 340.305 3.044 20 5 EGBDHN C[C@H]1CCC[C@@]1(O)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602677085 460060295 /nfs/dbraw/zinc/06/02/95/460060295.db2.gz RXNOJFZIOZTVOE-QPUJVOFHSA-N 0 3 349.250 3.060 20 5 EGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC[C@@H](CO)CC1CC1 ZINC000602715364 460082488 /nfs/dbraw/zinc/08/24/88/460082488.db2.gz GFQHAIFKVYHTBX-NSHDSACASA-N 0 3 332.322 3.112 20 5 EGBDHN Cn1cc(CN2CCC(C)(F)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000602741188 460101543 /nfs/dbraw/zinc/10/15/43/460101543.db2.gz DZLBXJXPQSLLHE-UHFFFAOYSA-N 0 3 332.379 3.319 20 5 EGBDHN CN(Cc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000610281729 460105926 /nfs/dbraw/zinc/10/59/26/460105926.db2.gz CITMQWMKTVWBBU-AWEZNQCLSA-N 0 3 346.818 3.354 20 5 EGBDHN CC(C)c1ccc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597921912 460112700 /nfs/dbraw/zinc/11/27/00/460112700.db2.gz HTCKQCALGSKYNP-CQSZACIVSA-N 0 3 333.432 3.321 20 5 EGBDHN CC(C)(C)N1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000597922995 460114395 /nfs/dbraw/zinc/11/43/95/460114395.db2.gz ICXBGQAMDRHHPC-GFCCVEGCSA-N 0 3 347.440 3.412 20 5 EGBDHN CCOc1ccccc1[C@@H](CC)NCCn1c(C)ncc1[N+](=O)[O-] ZINC000602796707 460131684 /nfs/dbraw/zinc/13/16/84/460131684.db2.gz CHOUTVDIWCHBTB-OAHLLOKOSA-N 0 3 332.404 3.239 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCNC(C)(C)c1cccc(Cl)c1F ZINC000602812880 460142106 /nfs/dbraw/zinc/14/21/06/460142106.db2.gz SDPBCUOATWTSKI-UHFFFAOYSA-N 0 3 340.786 3.417 20 5 EGBDHN C[S@](=O)c1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000610575191 460187357 /nfs/dbraw/zinc/18/73/57/460187357.db2.gz MOLMZIKRWOCZJM-DOHLAZSCSA-N 0 3 330.409 3.135 20 5 EGBDHN C[C@@H]1CC(F)(F)CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599624748 460289931 /nfs/dbraw/zinc/28/99/31/460289931.db2.gz XGVYDFSLQUDZHS-LLVKDONJSA-N 0 3 327.331 3.043 20 5 EGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000611209198 460308190 /nfs/dbraw/zinc/30/81/90/460308190.db2.gz NBMXEDFGBJAMLJ-KEYYUXOJSA-N 0 3 343.427 3.131 20 5 EGBDHN O=[N+]([O-])c1cc(CNc2ccc(CN3CCC(O)CC3)cc2)cs1 ZINC000611287944 460330338 /nfs/dbraw/zinc/33/03/38/460330338.db2.gz RACNWSPCZHURET-UHFFFAOYSA-N 0 3 347.440 3.225 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000611350104 460343302 /nfs/dbraw/zinc/34/33/02/460343302.db2.gz BGZRVSUULOUWTO-HZPDHXFCSA-N 0 3 334.416 3.112 20 5 EGBDHN Cc1cc(NCCN2Cc3ccccc3C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611921921 460489972 /nfs/dbraw/zinc/48/99/72/460489972.db2.gz MUOGGQFLPKDKOF-UHFFFAOYSA-N 0 3 348.406 3.301 20 5 EGBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H](CCO)C3CCCCC3)nc2c1 ZINC000612824268 460742301 /nfs/dbraw/zinc/74/23/01/460742301.db2.gz LWFYTMJXQUBSCM-AWEZNQCLSA-N 0 3 333.388 3.157 20 5 EGBDHN C[C@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459792965 518183656 /nfs/dbraw/zinc/18/36/56/518183656.db2.gz VCPDUWYFIPRQHL-FDEJFUCISA-N 0 3 328.372 3.484 20 5 EGBDHN CCOc1ccc([C@@H](C)N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000154189050 528596325 /nfs/dbraw/zinc/59/63/25/528596325.db2.gz IDYUZBQOMZKJQI-GZBFAFLISA-N 0 3 333.432 3.269 20 5 EGBDHN CCOc1ccc([C@@H](C)NC[C@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000154181754 528597351 /nfs/dbraw/zinc/59/73/51/528597351.db2.gz KEMKEFSLVCWPOA-YPMHNXCESA-N 0 3 342.486 3.493 20 5 EGBDHN CC[C@H](C)N[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000353348553 536173342 /nfs/dbraw/zinc/17/33/42/536173342.db2.gz HPCBQDZCBUFPHX-WFASDCNBSA-N 0 3 346.387 3.439 20 5 EGBDHN CCN(CC)C(=O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000726607461 574563553 /nfs/dbraw/zinc/56/35/53/574563553.db2.gz WMJFPSGYRZCGSR-UHFFFAOYSA-N 0 3 347.440 3.281 20 5 EGBDHN CC(C)CN1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000727438111 574667429 /nfs/dbraw/zinc/66/74/29/574667429.db2.gz PIBIFAOLAAFNHO-UHFFFAOYSA-N 0 3 331.338 3.392 20 5 EGBDHN CCCCN(C)CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000732891692 575294931 /nfs/dbraw/zinc/29/49/31/575294931.db2.gz DQAAJPNCMOLWNO-UHFFFAOYSA-N 0 3 328.800 3.102 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNCc1ccc(C[S@@](C)=O)cc1 ZINC000873126695 1297284314 /nfs/dbraw/zinc/28/43/14/1297284314.db2.gz JVLXKXSEBKBKDV-XMMPIXPASA-N 0 3 346.452 3.380 20 5 EGBDHN Cn1ccnc1C[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000588458037 1298067332 /nfs/dbraw/zinc/06/73/32/1298067332.db2.gz UOZGWCGUFRWUIU-SBSDFTTDSA-N 0 3 340.427 3.296 20 5 EGBDHN CCCC(=O)NC[C@@H]1CCCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876655474 1298900217 /nfs/dbraw/zinc/90/02/17/1298900217.db2.gz LECWCGRFPBDMIO-INIZCTEOSA-N 0 3 347.459 3.340 20 5 EGBDHN COCCCOC1CCN(Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876754446 1298962827 /nfs/dbraw/zinc/96/28/27/1298962827.db2.gz CVTNWXSIZCXTDZ-UHFFFAOYSA-N 0 3 336.432 3.229 20 5 EGBDHN O=[N+]([O-])c1cccc(CNC[C@@H](O)c2ccccc2C(F)(F)F)c1 ZINC000748819589 1299086795 /nfs/dbraw/zinc/08/67/95/1299086795.db2.gz IYHHYFDQLPMRBQ-OAHLLOKOSA-N 0 3 340.301 3.437 20 5 EGBDHN CCCN1CCC[C@@H]1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000749564567 1299238185 /nfs/dbraw/zinc/23/81/85/1299238185.db2.gz FOASZSCTVBNZED-OAHLLOKOSA-N 0 3 339.823 3.081 20 5 EGBDHN CCS[C@@H]1CC[C@@H](N(C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749962535 1299315378 /nfs/dbraw/zinc/31/53/78/1299315378.db2.gz XNJIUENSTLUARV-TZMCWYRMSA-N 0 3 349.460 3.211 20 5 EGBDHN Cc1nn(CN2CCc3ccccc3CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765013996 1302185052 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/nfs/dbraw/zinc/91/08/63/1309910863.db2.gz FNMQZUAOBCYQIY-QGZVFWFLSA-N 0 3 336.338 3.081 20 5 EGBDHN CN(CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])Cc1ccccc1 ZINC000804373282 1317224286 /nfs/dbraw/zinc/22/42/86/1317224286.db2.gz XBQRHMKAFZIINK-UHFFFAOYSA-N 0 3 330.344 3.047 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNc1nc2ccccn2c1[N+](=O)[O-])c1ccco1 ZINC000804780446 1317280407 /nfs/dbraw/zinc/28/04/07/1317280407.db2.gz BVYMBAKYMALZOY-OLZOCXBDSA-N 0 3 343.387 3.377 20 5 EGBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C(F)=C1CCCC1 ZINC001020071849 1317532798 /nfs/dbraw/zinc/53/27/98/1317532798.db2.gz XUDLGMYWPLEQFH-SHTZXODSSA-N 0 3 347.390 3.129 20 5 EGBDHN Cc1csc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)c1 ZINC001020131379 1317554180 /nfs/dbraw/zinc/55/41/80/1317554180.db2.gz FDCLDYUZBIUPPP-HDJSIYSDSA-N 0 3 345.424 3.015 20 5 EGBDHN CC(COC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1)[N+](=O)[O-] ZINC000813099861 1318499324 /nfs/dbraw/zinc/49/93/24/1318499324.db2.gz FPAZJKNPAORLIL-LBPRGKRZSA-N 0 3 331.372 3.127 20 5 EGBDHN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110187 1318500052 /nfs/dbraw/zinc/50/00/52/1318500052.db2.gz UNLLNMLFDWTORL-SSDOTTSWSA-N 0 3 342.323 3.219 20 5 EGBDHN CC(COC(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1)[N+](=O)[O-] ZINC000813107384 1318500313 /nfs/dbraw/zinc/50/03/13/1318500313.db2.gz MTJDJHLBQJGFMV-NSHDSACASA-N 0 3 347.371 3.147 20 5 EGBDHN CC(COC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)[N+](=O)[O-] ZINC000813115187 1318501809 /nfs/dbraw/zinc/50/18/09/1318501809.db2.gz MIUDPTYAAQLEFR-MRVPVSSYSA-N 0 3 344.154 3.001 20 5 EGBDHN CC(COC(=O)c1cn(-c2ccc(Cl)c(Cl)c2)cn1)[N+](=O)[O-] ZINC000813112924 1318502960 /nfs/dbraw/zinc/50/29/60/1318502960.db2.gz MFLPOQQHJRVKED-MRVPVSSYSA-N 0 3 344.154 3.001 20 5 EGBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1NC(=O)c1cccs1 ZINC000813115077 1318503014 /nfs/dbraw/zinc/50/30/14/1318503014.db2.gz ZZVAKVAKBHLIPD-NSHDSACASA-N 0 3 348.380 3.131 20 5 EGBDHN CC(C)[C@H](NC/C=C/c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000813328767 1318535321 /nfs/dbraw/zinc/53/53/21/1318535321.db2.gz URZUWASIHGVACS-MPCGPATOSA-N 0 3 332.322 3.145 20 5 EGBDHN CC1(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)CCCCC1 ZINC001022644633 1319037746 /nfs/dbraw/zinc/03/77/46/1319037746.db2.gz TVJONBNQJAXRLR-IYBDPMFKSA-N 0 3 345.443 3.302 20 5 EGBDHN Cc1cc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)cs1 ZINC001022853932 1319137339 /nfs/dbraw/zinc/13/73/39/1319137339.db2.gz UYIXYTGFKBQJDA-GASCZTMLSA-N 0 3 345.424 3.015 20 5 EGBDHN C[C@H](NCc1c(Br)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000930226370 1328816270 /nfs/dbraw/zinc/81/62/70/1328816270.db2.gz UDAWZTWHHIYTSK-JTQLQIEISA-N 0 3 343.221 3.262 20 5 EGBDHN C[C@H](NCc1cccc2c1CCCN2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817974575 1319483007 /nfs/dbraw/zinc/48/30/07/1319483007.db2.gz DVBFCHGMHXGRIN-LBPRGKRZSA-N 0 3 326.400 3.386 20 5 EGBDHN COc1ccc(CNC[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000819172627 1319656041 /nfs/dbraw/zinc/65/60/41/1319656041.db2.gz DBDNXBPEZDLBAV-OAHLLOKOSA-N 0 3 336.775 3.080 20 5 EGBDHN C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000838963880 1320843700 /nfs/dbraw/zinc/84/37/00/1320843700.db2.gz DOCICWLSZMKMFB-UJICNMFASA-N 0 3 333.262 3.197 20 5 EGBDHN CC[C@@H]1C[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CCO1 ZINC000845876611 1321748535 /nfs/dbraw/zinc/74/85/35/1321748535.db2.gz NETSMUWSNCWNBT-BRXULGCHSA-N 0 3 339.363 3.280 20 5 EGBDHN CC([C@@H](OC(=O)COCC1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845876312 1321748747 /nfs/dbraw/zinc/74/87/47/1321748747.db2.gz BYOXAXSDOSNTEC-SJKOYZFVSA-N 0 3 339.363 3.282 20 5 EGBDHN CC([C@@H](OC(=O)[C@@H]1COc2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC000845877543 1321749144 /nfs/dbraw/zinc/74/91/44/1321749144.db2.gz SLWRVWGYQHHCTF-JDSLSITLSA-N 0 3 345.326 3.251 20 5 EGBDHN CC([C@@H](OC(=O)/C=C/C1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877355 1321749158 /nfs/dbraw/zinc/74/91/58/1321749158.db2.gz RFPSIUAHRRWPDK-GLNQTNNCSA-N 0 3 337.347 3.058 20 5 EGBDHN CC([C@@H](OC(=O)C1SCCCS1)c1ccccc1F)[N+](=O)[O-] ZINC000845882556 1321750469 /nfs/dbraw/zinc/75/04/69/1321750469.db2.gz VQMXIPYIODPNSB-BXKDBHETSA-N 0 3 345.417 3.271 20 5 EGBDHN CC([C@@H](OC(=O)CCc1cncs1)c1ccccc1F)[N+](=O)[O-] ZINC000845883800 1321751121 /nfs/dbraw/zinc/75/11/21/1321751121.db2.gz WCKPODVXBIYLAH-ZUZCIYMTSA-N 0 3 338.360 3.165 20 5 EGBDHN Cc1nc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])sc1C ZINC000845883787 1321751404 /nfs/dbraw/zinc/75/14/04/1321751404.db2.gz VZAQALNTQRZLSE-TVQRCGJNSA-N 0 3 338.360 3.462 20 5 EGBDHN C[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000848549853 1321974670 /nfs/dbraw/zinc/97/46/70/1321974670.db2.gz WATFITWPHWXTBH-BXUZGUMPSA-N 0 3 335.404 3.085 20 5 EGBDHN COC(=O)Cc1ccccc1CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848573116 1321978754 /nfs/dbraw/zinc/97/87/54/1321978754.db2.gz QGWHVSDBCYSKPP-KRWDZBQOSA-N 0 3 340.379 3.087 20 5 EGBDHN COC(=O)/C=C/c1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000848909158 1322041070 /nfs/dbraw/zinc/04/10/70/1322041070.db2.gz MFDCTROCFARDFC-CMDGGOBGSA-N 0 3 344.367 3.049 20 5 EGBDHN CC(C)N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC000920406011 1322173695 /nfs/dbraw/zinc/17/36/95/1322173695.db2.gz HPNVYHVGCOLXQS-UHFFFAOYSA-N 0 3 325.796 3.307 20 5 EGBDHN C[S@](=O)[C@H]1CCC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000850357053 1322233896 /nfs/dbraw/zinc/23/38/96/1322233896.db2.gz XCFWDFDLZKHCRQ-BYVOGVQKSA-N 0 3 330.837 3.028 20 5 EGBDHN CC(C)(C)C(=O)N[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CC1 ZINC001034782616 1342758285 /nfs/dbraw/zinc/75/82/85/1342758285.db2.gz OLCGPXIGAJZTCJ-JOCQHMNTSA-N 0 3 339.461 3.219 20 5 EGBDHN CN1CCN(Cc2cccc(Nc3ccc(F)c([N+](=O)[O-])c3)c2)CC1 ZINC001211192065 1372497115 /nfs/dbraw/zinc/49/71/15/1372497115.db2.gz CGNJCTAQIWLJIH-UHFFFAOYSA-N 0 3 344.390 3.225 20 5 EGBDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1ncccc1[N+](=O)[O-] ZINC001225589833 1375127322 /nfs/dbraw/zinc/12/73/22/1375127322.db2.gz FRAOKBPTNJVJSK-YOEHRIQHSA-N 0 3 327.384 3.279 20 5 EGBDHN O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001225664335 1375140591 /nfs/dbraw/zinc/14/05/91/1375140591.db2.gz NFQNEXWHHHYOKG-ZDUSSCGKSA-N 0 3 349.774 3.002 20 5 EGBDHN O=[N+]([O-])c1c([O-])ccnc1O[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001225664335 1375140592 /nfs/dbraw/zinc/14/05/92/1375140592.db2.gz NFQNEXWHHHYOKG-ZDUSSCGKSA-N 0 3 349.774 3.002 20 5 EGBDHN O=[N+]([O-])c1cnc(OC2CCN(C3CC3)CC2)c(C(F)(F)F)c1 ZINC001225893535 1375170360 /nfs/dbraw/zinc/17/03/60/1375170360.db2.gz UBANSNDNBXKCNV-UHFFFAOYSA-N 0 3 331.294 3.014 20 5 EGBDHN O=C(CC1CCCCCC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001134410455 1376515682 /nfs/dbraw/zinc/51/56/82/1376515682.db2.gz QWXJSLRLSMWFFU-UHFFFAOYSA-N 0 3 333.432 3.161 20 5 EGBDHN NCc1ccc(Nc2nc3ccccc3c(Cl)c2[N+](=O)[O-])cn1 ZINC001160401983 1382094726 /nfs/dbraw/zinc/09/47/26/1382094726.db2.gz HCVNYJYWRJZNBL-UHFFFAOYSA-N 0 3 329.747 3.394 20 5 EGBDHN C[C@H](N)c1nc2ccccc2n1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001162762470 1382863070 /nfs/dbraw/zinc/86/30/70/1382863070.db2.gz HZHNZQFNBMVNNV-NSHDSACASA-N 0 3 337.383 3.227 20 5 EGBDHN Cc1c(-n2c3ccccc3nc2[C@H](C)N)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162766350 1382865737 /nfs/dbraw/zinc/86/57/37/1382865737.db2.gz MXSYFBSDCFBFLE-JTQLQIEISA-N 0 3 341.327 3.170 20 5 EGBDHN c1cnc2c(c1)cc(N[C@H]1CCCC[C@@]13CNCCO3)c1cccnc12 ZINC001163650174 1383096151 /nfs/dbraw/zinc/09/61/51/1383096151.db2.gz LSKINUOBPNWZFE-GHTZIAJQSA-N 0 3 348.450 3.496 20 5 EGBDHN CC/C=C(/C)C(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001163676919 1383103610 /nfs/dbraw/zinc/10/36/10/1383103610.db2.gz ONYGMOARBDFWAZ-UUASQNMZSA-N 0 3 345.443 3.327 20 5 EGBDHN CC(C)CCCCC(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001168715035 1383978722 /nfs/dbraw/zinc/97/87/22/1383978722.db2.gz BTMRYLAYZHBHQD-UHFFFAOYSA-N 0 3 335.448 3.407 20 5 EGBDHN C[C@H](Nc1nc2c(ccc3ccccc32)nc1Cl)[C@@H]1CNCCO1 ZINC001170568449 1384343967 /nfs/dbraw/zinc/34/39/67/1384343967.db2.gz HYYQKTBXKMWUEI-NHYWBVRUSA-N 0 3 342.830 3.225 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[C@@H]3CCCO[C@@H]3C1)CC2 ZINC001172905606 1384875350 /nfs/dbraw/zinc/87/53/50/1384875350.db2.gz SRFMRDDWQVUZLV-KVSKMBFKSA-N 0 3 330.428 3.343 20 5 EGBDHN CC(C)COc1cc(CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)ncn1 ZINC001173218129 1384937720 /nfs/dbraw/zinc/93/77/20/1384937720.db2.gz BHLCJLAXSDCGIC-CQSZACIVSA-N 0 3 344.415 3.140 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(Oc2ccccn2)CC1 ZINC001173228129 1384940270 /nfs/dbraw/zinc/94/02/70/1384940270.db2.gz TZQXQMCAAJNKAG-HNNXBMFYSA-N 0 3 341.411 3.464 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001173232486 1384941203 /nfs/dbraw/zinc/94/12/03/1384941203.db2.gz HDKCPVFUXCCSDR-WFASDCNBSA-N 0 3 326.343 3.026 20 5 EGBDHN COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC001329583006 1389166528 /nfs/dbraw/zinc/16/65/28/1389166528.db2.gz LJLFRSZAOVASQK-ZFWWWQNUSA-N 0 3 332.400 3.394 20 5 EGBDHN CC(C)n1ccc(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC001348738927 1391259630 /nfs/dbraw/zinc/25/96/30/1391259630.db2.gz XDTYCRLITBNYON-PXAZEXFGSA-N 0 3 349.362 3.095 20 5 EGBDHN CN(CCCN(C)C(=O)CC1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001755037355 1440735262 /nfs/dbraw/zinc/73/52/62/1440735262.db2.gz PLJZVDHPDHHTEN-UHFFFAOYSA-N 0 3 333.432 3.065 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000111176503 220105305 /nfs/dbraw/zinc/10/53/05/220105305.db2.gz UPQBXQLHXGYSLK-MRXNPFEDSA-N 0 3 326.400 3.375 20 5 EGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H](N2CCCC2)C1 ZINC000072089525 285085932 /nfs/dbraw/zinc/08/59/32/285085932.db2.gz NHEQGYIONVCBRR-LBPRGKRZSA-N 0 3 329.322 3.288 20 5 EGBDHN COc1ccc([C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178569337 533133712 /nfs/dbraw/zinc/13/37/12/533133712.db2.gz LZNVPGSDKUHGGR-OALUTQOASA-N 0 3 342.395 3.378 20 5 EGBDHN Cc1cc(NC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000338352298 142624015 /nfs/dbraw/zinc/62/40/15/142624015.db2.gz GMQUZKCKSIUPDJ-GXTWGEPZSA-N 0 3 334.420 3.145 20 5 EGBDHN C[C@@H](NC(=O)c1cccc(CN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000172616576 144024291 /nfs/dbraw/zinc/02/42/91/144024291.db2.gz YLQTWZKUCGOJBY-CYBMUJFWSA-N 0 3 327.384 3.147 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccc(C)cc1)N(C)C ZINC000192539328 144176366 /nfs/dbraw/zinc/17/63/66/144176366.db2.gz DUXYJGAUPYWADP-OAHLLOKOSA-N 0 3 331.420 3.143 20 5 EGBDHN CCO[C@H]1C[C@@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C12CCCC2 ZINC000344625677 144201335 /nfs/dbraw/zinc/20/13/35/144201335.db2.gz JOFYQUSSWJFABH-SJORKVTESA-N 0 3 334.416 3.431 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H](O)C(F)F)s2)cc1 ZINC000344765343 144221690 /nfs/dbraw/zinc/22/16/90/144221690.db2.gz WLCLAIXBLDNRDB-LBPRGKRZSA-N 0 3 328.340 3.039 20 5 EGBDHN COc1ccc(-c2ccc(CN3CC[C@H]([C@@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000305840311 154134734 /nfs/dbraw/zinc/13/47/34/154134734.db2.gz GXZODDNJABITKX-OLZOCXBDSA-N 0 3 346.383 3.066 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000310285046 154141105 /nfs/dbraw/zinc/14/11/05/154141105.db2.gz LZCIYLVQUPLRLO-WMLDXEAASA-N 0 3 326.400 3.373 20 5 EGBDHN Cc1ccc(NC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000337364804 154310728 /nfs/dbraw/zinc/31/07/28/154310728.db2.gz KLYUHVPFVWGIFY-OCCSQVGLSA-N 0 3 334.420 3.145 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000337385545 154325133 /nfs/dbraw/zinc/32/51/33/154325133.db2.gz WYSBWADOVCXLRP-OCCSQVGLSA-N 0 3 334.420 3.145 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CN1CCCCC1 ZINC000093961371 162033600 /nfs/dbraw/zinc/03/36/00/162033600.db2.gz KKUSZPUZCDHAAQ-AWEZNQCLSA-N 0 3 333.432 3.124 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@@H]3CCCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000114215874 162225207 /nfs/dbraw/zinc/22/52/07/162225207.db2.gz RYWZTGWWBFOXPS-WBVHZDCISA-N 0 3 346.383 3.257 20 5 EGBDHN C[C@H](N[C@@H]1CCN(c2ncccc2F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000126253008 162298026 /nfs/dbraw/zinc/29/80/26/162298026.db2.gz ZUFXGPGIZSAMOU-GXTWGEPZSA-N 0 3 330.363 3.058 20 5 EGBDHN CN(C)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000338764005 163342081 /nfs/dbraw/zinc/34/20/81/163342081.db2.gz XNBHFCISUFRVIS-MRXNPFEDSA-N 0 3 347.802 3.281 20 5 EGBDHN CN(C)c1ccccc1CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000344101525 164103013 /nfs/dbraw/zinc/10/30/13/164103013.db2.gz FFOIOOWLEKEMGT-UHFFFAOYSA-N 0 3 329.400 3.172 20 5 EGBDHN CC[C@@H]1CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@H]1O ZINC000355194233 166128700 /nfs/dbraw/zinc/12/87/00/166128700.db2.gz GKCIJXKHUNOPTL-SJKOYZFVSA-N 0 3 346.383 3.066 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCN(C(C)C)CC1 ZINC000355370441 166177274 /nfs/dbraw/zinc/17/72/74/166177274.db2.gz ZEVJSWTVYAPHBM-UHFFFAOYSA-N 0 3 335.448 3.298 20 5 EGBDHN Cc1c(NC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000358984371 167026954 /nfs/dbraw/zinc/02/69/54/167026954.db2.gz TWPLLDHTDAOPTH-CHWSQXEVSA-N 0 3 334.420 3.145 20 5 EGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000359555659 167191612 /nfs/dbraw/zinc/19/16/12/167191612.db2.gz KYGWIXAGXKKYEI-CZUORRHYSA-N 0 3 345.399 3.355 20 5 EGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccco1 ZINC000359565400 167195478 /nfs/dbraw/zinc/19/54/78/167195478.db2.gz USEFLCQNTOIHNU-GHMZBOCLSA-N 0 3 337.401 3.109 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(NCCCN2CCc3ccccc3C2)n1 ZINC000360662133 167381493 /nfs/dbraw/zinc/38/14/93/167381493.db2.gz FCGHCMGAVARMBC-UHFFFAOYSA-N 0 3 326.400 3.159 20 5 EGBDHN C[C@H]1C[C@@H](c2ccccc2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000366868049 168150209 /nfs/dbraw/zinc/15/02/09/168150209.db2.gz LKQZFFHHVLWWDO-RDJZCZTQSA-N 0 3 341.411 3.025 20 5 EGBDHN C[C@@H]1C[C@@H](c2ccccc2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000366868050 168150298 /nfs/dbraw/zinc/15/02/98/168150298.db2.gz LKQZFFHHVLWWDO-WBVHZDCISA-N 0 3 341.411 3.025 20 5 EGBDHN Cn1nccc1[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367467853 168230938 /nfs/dbraw/zinc/23/09/38/168230938.db2.gz XPZBIRDHBCQEET-IEXSPKMKSA-N 0 3 326.400 3.221 20 5 EGBDHN Cn1cnc([N+](=O)[O-])c1CN1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000367540321 168239015 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CC[C@H](COCC(F)(F)F)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000295195949 308301818 /nfs/dbraw/zinc/30/18/18/308301818.db2.gz XZLMKXXSPDHFEY-LLVKDONJSA-N 0 3 336.310 3.051 20 5 EGBDHN CC[C@](CNCc1ccccc1[N+](=O)[O-])(C(=O)OC)c1ccccc1 ZINC000414595278 309091206 /nfs/dbraw/zinc/09/12/06/309091206.db2.gz ZFTVNSFVZLYTAS-LJQANCHMSA-N 0 3 342.395 3.205 20 5 EGBDHN CCCN(CCN1CCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000298483363 308618385 /nfs/dbraw/zinc/61/83/85/308618385.db2.gz JGSFZMLGJMWJPL-UHFFFAOYSA-N 0 3 332.404 3.044 20 5 EGBDHN O=C(CCNC1(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000299532154 308678189 /nfs/dbraw/zinc/67/81/89/308678189.db2.gz DSVQOFAIWCWPAO-UHFFFAOYSA-N 0 3 325.368 3.202 20 5 EGBDHN CC(C)N1CCN(c2cccc(Nc3ccc([N+](=O)[O-])cn3)c2)CC1 ZINC000301977861 308723818 /nfs/dbraw/zinc/72/38/18/308723818.db2.gz WQPIIAWCXYZFRH-UHFFFAOYSA-N 0 3 341.415 3.264 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@H](CC(C)C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000327296906 308771294 /nfs/dbraw/zinc/77/12/94/308771294.db2.gz LRGBLUCOMITATL-AEFFLSMTSA-N 0 3 349.475 3.301 20 5 EGBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1F ZINC000413180218 309019976 /nfs/dbraw/zinc/01/99/76/309019976.db2.gz YVFUQGXXNISVMC-HNNXBMFYSA-N 0 3 344.390 3.087 20 5 EGBDHN CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)CN1CCCC1 ZINC000416334923 309169173 /nfs/dbraw/zinc/16/91/73/309169173.db2.gz SNOGSFLLHITNKQ-UHFFFAOYSA-N 0 3 339.823 3.195 20 5 EGBDHN C[C@@H]1C[C@H](CO)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000421363510 309320411 /nfs/dbraw/zinc/32/04/11/309320411.db2.gz PROIHXHNIVYBQR-KGLIPLIRSA-N 0 3 330.384 3.305 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 ZINC000421746952 309338162 /nfs/dbraw/zinc/33/81/62/309338162.db2.gz ASMKAPKLBSLHSS-DOMZBBRYSA-N 0 3 333.432 3.062 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000421746955 309338181 /nfs/dbraw/zinc/33/81/81/309338181.db2.gz ASMKAPKLBSLHSS-WFASDCNBSA-N 0 3 333.432 3.062 20 5 EGBDHN 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O=[N+]([O-])c1ccc(NC2CCN(CCc3ccccc3)CC2)cn1 ZINC000075669874 453915686 /nfs/dbraw/zinc/91/56/86/453915686.db2.gz YLLNBYAWEGAUDX-UHFFFAOYSA-N 0 3 326.400 3.109 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1cccs1 ZINC000041887674 453982830 /nfs/dbraw/zinc/98/28/30/453982830.db2.gz BXPJOHNPZIMRFA-UHFFFAOYSA-N 0 3 333.413 3.425 20 5 EGBDHN O=C(Nc1cccc(CN2CCCCC2)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000042057741 453991914 /nfs/dbraw/zinc/99/19/14/453991914.db2.gz BLBXREDDTZXBOG-UHFFFAOYSA-N 0 3 328.372 3.161 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000085620990 454035664 /nfs/dbraw/zinc/03/56/64/454035664.db2.gz SNILZQSYRSPTOJ-AWEZNQCLSA-N 0 3 348.447 3.454 20 5 EGBDHN Cc1c(NC(=O)NC[C@H](C)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000043346167 454057498 /nfs/dbraw/zinc/05/74/98/454057498.db2.gz TWPLLDHTDAOPTH-STQMWFEESA-N 0 3 334.420 3.145 20 5 EGBDHN C[C@@H](O)C[C@H](C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077428735 454105733 /nfs/dbraw/zinc/10/57/33/454105733.db2.gz WIWOHAHQUHFSEU-NWDGAFQWSA-N 0 3 335.429 3.215 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000088718411 454117275 /nfs/dbraw/zinc/11/72/75/454117275.db2.gz OAQDHRIXBKGXQC-HOTGVXAUSA-N 0 3 347.459 3.229 20 5 EGBDHN Cc1nc2c(s1)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000089580699 454163466 /nfs/dbraw/zinc/16/34/66/454163466.db2.gz NTRZUZPWZNZZEI-AWEZNQCLSA-N 0 3 333.413 3.406 20 5 EGBDHN CC(C)(C)N1CCCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000058272766 454177125 /nfs/dbraw/zinc/17/71/25/454177125.db2.gz SKNGYBJBAPNLNZ-SOFGYWHQSA-N 0 3 349.406 3.080 20 5 EGBDHN Cc1ccccc1OCCN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000058932495 454245673 /nfs/dbraw/zinc/24/56/73/454245673.db2.gz QTISJSUERCEQPX-UHFFFAOYSA-N 0 3 330.384 3.293 20 5 EGBDHN Cc1ccnc(N2CC[C@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000078506566 454266660 /nfs/dbraw/zinc/26/66/60/454266660.db2.gz SQWZSEDQTGMWHG-INIZCTEOSA-N 0 3 326.400 3.009 20 5 EGBDHN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(CN2CCCC2)c1 ZINC000060551348 454300179 /nfs/dbraw/zinc/30/01/79/454300179.db2.gz KLGASZFWSQPPLM-UHFFFAOYSA-N 0 3 325.368 3.443 20 5 EGBDHN Cc1ccc(C)c([C@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000090552447 454320965 /nfs/dbraw/zinc/32/09/65/454320965.db2.gz HESUYMZYGFPLFH-GOSISDBHSA-N 0 3 341.411 3.210 20 5 EGBDHN CC(C)(C)CNC(=O)C(C)(C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000121109042 454393168 /nfs/dbraw/zinc/39/31/68/454393168.db2.gz MFTASPFBQGUQEZ-CSKARUKUSA-N 0 3 333.432 3.139 20 5 EGBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCC[C@@H]1O ZINC000091899288 454486909 /nfs/dbraw/zinc/48/69/09/454486909.db2.gz PTZXWSPVZCAHHW-GUYCJALGSA-N 0 3 330.384 3.448 20 5 EGBDHN C[C@@H]1CC[C@H](C)N1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000064726133 454501030 /nfs/dbraw/zinc/50/10/30/454501030.db2.gz ONXGOHMXZHOMBC-XQQFMLRXSA-N 0 3 337.445 3.134 20 5 EGBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134229105 454518733 /nfs/dbraw/zinc/51/87/33/454518733.db2.gz ZAIXFSZHVHPWMB-CQSZACIVSA-N 0 3 337.395 3.118 20 5 EGBDHN O=[N+]([O-])c1cccc(CNCCOc2ncccc2C(F)(F)F)c1 ZINC000122886716 454578645 /nfs/dbraw/zinc/57/86/45/454578645.db2.gz VUQUMSQIEGQEHU-UHFFFAOYSA-N 0 3 341.289 3.177 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C/CN(CCCO)Cc1ccccc1 ZINC000093102056 454681579 /nfs/dbraw/zinc/68/15/79/454681579.db2.gz KTOBZBACBXONTJ-IZZDOVSWSA-N 0 3 326.396 3.493 20 5 EGBDHN CC[C@@H](NC[C@H](O)COc1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000152921689 454741713 /nfs/dbraw/zinc/74/17/13/454741713.db2.gz OEBGUSBLUJVGAL-PKOBYXMFSA-N 0 3 344.411 3.384 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN(CCO)C3CC3)o2)c(Cl)c1 ZINC000153590068 454810260 /nfs/dbraw/zinc/81/02/60/454810260.db2.gz XGKMPWYAYCLEPV-UHFFFAOYSA-N 0 3 336.775 3.465 20 5 EGBDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000177055439 454816498 /nfs/dbraw/zinc/81/64/98/454816498.db2.gz QYKCGLHHTFZBHP-RISCZKNCSA-N 0 3 347.440 3.268 20 5 EGBDHN CCOc1ccc([C@@H](C)NCCc2c(C)noc2C)cc1[N+](=O)[O-] ZINC000153679890 454820378 /nfs/dbraw/zinc/82/03/78/454820378.db2.gz FUNUYRISWSZIBZ-LLVKDONJSA-N 0 3 333.388 3.492 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000177581622 454880426 /nfs/dbraw/zinc/88/04/26/454880426.db2.gz NXLMHXDZDIBVCS-LJQANCHMSA-N 0 3 348.443 3.187 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc4cccnc43)C2)nc1 ZINC000112655292 454894600 /nfs/dbraw/zinc/89/46/00/454894600.db2.gz DBXOIJAZNSMRGO-INIZCTEOSA-N 0 3 349.394 3.224 20 5 EGBDHN CC[C@H](NC(=O)[C@H](C)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000177813980 454909559 /nfs/dbraw/zinc/90/95/59/454909559.db2.gz PFNPICJVPOIOCL-YOEHRIQHSA-N 0 3 333.432 3.427 20 5 EGBDHN CCOc1ncccc1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151176779 454947549 /nfs/dbraw/zinc/94/75/49/454947549.db2.gz UFLHKKZEGMVPFE-KRWDZBQOSA-N 0 3 341.411 3.499 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CNC2(c3ccccc3)CCC2)c1 ZINC000170907241 454997608 /nfs/dbraw/zinc/99/76/08/454997608.db2.gz IEHXFIVISYJGPB-QGZVFWFLSA-N 0 3 342.395 3.004 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1ccccn1 ZINC000127914375 455009318 /nfs/dbraw/zinc/00/93/18/455009318.db2.gz JBIRVKLFPNAVDC-AWEZNQCLSA-N 0 3 342.399 3.320 20 5 EGBDHN CCOc1ccc(NC(=O)CN(CC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000115565027 455021410 /nfs/dbraw/zinc/02/14/10/455021410.db2.gz XRWPYNILXBVFFM-UHFFFAOYSA-N 0 3 347.415 3.054 20 5 EGBDHN C[C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cn1ccnc1 ZINC000171051844 455021920 /nfs/dbraw/zinc/02/19/20/455021920.db2.gz DWRIKVJSAJFTER-AWEZNQCLSA-N 0 3 340.383 3.477 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000151927086 455049806 /nfs/dbraw/zinc/04/98/06/455049806.db2.gz QJVHCBQIECMJTM-WBVHZDCISA-N 0 3 346.383 3.155 20 5 EGBDHN COCc1cc([N+](=O)[O-])ccc1N1CCN(C2CCCCC2)CC1 ZINC000152435350 455118823 /nfs/dbraw/zinc/11/88/23/455118823.db2.gz FECAUBOSDOMQOP-UHFFFAOYSA-N 0 3 333.432 3.196 20 5 EGBDHN COc1ccc(OCCN(C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000190196688 455287806 /nfs/dbraw/zinc/28/78/06/455287806.db2.gz YMWLSMFZJATTIQ-UHFFFAOYSA-N 0 3 334.347 3.253 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@](C)(O)c1cccs1 ZINC000265757759 455375143 /nfs/dbraw/zinc/37/51/43/455375143.db2.gz JGHGNCQTZDLKTO-MRXNPFEDSA-N 0 3 336.413 3.052 20 5 EGBDHN CN1CCC(Oc2ccc(NCc3csc([N+](=O)[O-])c3)cn2)CC1 ZINC000160079669 455425766 /nfs/dbraw/zinc/42/57/66/455425766.db2.gz NVUPEHWZJMCGSU-UHFFFAOYSA-N 0 3 348.428 3.136 20 5 EGBDHN Cc1c(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000182089071 455432543 /nfs/dbraw/zinc/43/25/43/455432543.db2.gz QHJNNWLANJMNFH-AWEZNQCLSA-N 0 3 341.411 3.154 20 5 EGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1CN(C)C ZINC000184756758 455442869 /nfs/dbraw/zinc/44/28/69/455442869.db2.gz NHZWUVIORSEYOT-WMZOPIPTSA-N 0 3 347.459 3.106 20 5 EGBDHN CCCC[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(OC)cc1 ZINC000182139336 455444885 /nfs/dbraw/zinc/44/48/85/455444885.db2.gz JFHJNFQMIRDCFU-QGZVFWFLSA-N 0 3 332.404 3.321 20 5 EGBDHN C[C@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000266758025 455448653 /nfs/dbraw/zinc/44/86/53/455448653.db2.gz FMOWRKBARZWZAX-XJKSGUPXSA-N 0 3 339.395 3.330 20 5 EGBDHN C[C@@H](c1ccc(F)cc1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182199261 455459798 /nfs/dbraw/zinc/45/97/98/455459798.db2.gz KMVAIAXBMYNGEP-BBRMVZONSA-N 0 3 348.374 3.167 20 5 EGBDHN Cc1cccc([C@@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000182425964 455511617 /nfs/dbraw/zinc/51/16/17/455511617.db2.gz BANCHPRQEWRSOB-CVEARBPZSA-N 0 3 344.411 3.302 20 5 EGBDHN CCCC[C@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000191828764 455523991 /nfs/dbraw/zinc/52/39/91/455523991.db2.gz CAWMPQYYTLRYOG-DZGCQCFKSA-N 0 3 349.431 3.490 20 5 EGBDHN O=[N+]([O-])c1ccccc1CCN[C@H](c1nc[nH]n1)C1CCCCC1 ZINC000292281584 455618104 /nfs/dbraw/zinc/61/81/04/455618104.db2.gz UTYPMNSJTYCUAA-INIZCTEOSA-N 0 3 329.404 3.167 20 5 EGBDHN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NCc1ccccc1[N+](=O)[O-] ZINC000271424916 455631756 /nfs/dbraw/zinc/63/17/56/455631756.db2.gz CKFWBYKXJJAVQH-OLZOCXBDSA-N 0 3 337.420 3.376 20 5 EGBDHN CN(C(=O)CN[C@H](c1ccccc1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000192513392 455634627 /nfs/dbraw/zinc/63/46/27/455634627.db2.gz HHYWLUSLUSSGIK-LJQANCHMSA-N 0 3 339.395 3.299 20 5 EGBDHN CN(C)[C@@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000192598435 455649817 /nfs/dbraw/zinc/64/98/17/455649817.db2.gz LXBHLIPRZZDOJU-SJORKVTESA-N 0 3 329.400 3.458 20 5 EGBDHN COc1ccc(NC(=O)CN(C)[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000192622810 455656130 /nfs/dbraw/zinc/65/61/30/455656130.db2.gz PLQGTCRBDGPDKG-WFASDCNBSA-N 0 3 335.404 3.052 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](O)c1ccc(F)cc1)CCC2 ZINC000192637325 455658458 /nfs/dbraw/zinc/65/84/58/455658458.db2.gz BBMOUNRPOLVFEP-MSOLQXFVSA-N 0 3 330.359 3.435 20 5 EGBDHN COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)n2)N(C)C)c1 ZINC000268507054 455701971 /nfs/dbraw/zinc/70/19/71/455701971.db2.gz RHEOODQLRIRXKD-MRXNPFEDSA-N 0 3 330.388 3.022 20 5 EGBDHN C[C@H](c1ccccc1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374729 455708525 /nfs/dbraw/zinc/70/85/25/455708525.db2.gz SVDMQRWWHJYDCT-GDBMZVCRSA-N 0 3 330.384 3.028 20 5 EGBDHN C[C@@H](c1cccs1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374289 455708847 /nfs/dbraw/zinc/70/88/47/455708847.db2.gz PDMGTAMGFGKNCL-QWHCGFSZSA-N 0 3 336.413 3.089 20 5 EGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCOC3(CCC3)C2)c1 ZINC000268951954 455741715 /nfs/dbraw/zinc/74/17/15/455741715.db2.gz DQUBQZYYQLLJKV-LBPRGKRZSA-N 0 3 342.342 3.388 20 5 EGBDHN CCS[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284821318 455747341 /nfs/dbraw/zinc/74/73/41/455747341.db2.gz ABKIKSXWWJBBBB-GXTWGEPZSA-N 0 3 325.390 3.267 20 5 EGBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1F ZINC000285242347 455811644 /nfs/dbraw/zinc/81/16/44/455811644.db2.gz GRBKBXYBYKUDDD-QGZVFWFLSA-N 0 3 336.338 3.081 20 5 EGBDHN C[C@@H]1COCC[C@@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000285462387 455850049 /nfs/dbraw/zinc/85/00/49/455850049.db2.gz JWSRNYANPNBRIJ-TZMCWYRMSA-N 0 3 347.440 3.481 20 5 EGBDHN CC1(C)CC[C@@H](CN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000187097517 455869947 /nfs/dbraw/zinc/86/99/47/455869947.db2.gz AWVXTMDVXJEHSI-KRWDZBQOSA-N 0 3 334.416 3.396 20 5 EGBDHN O=[N+]([O-])c1cc(CN(CC2CC2)CC2CCC2)c2c(c1)COCO2 ZINC000280408253 455965815 /nfs/dbraw/zinc/96/58/15/455965815.db2.gz YJMYOQFMRWBHLM-UHFFFAOYSA-N 0 3 332.400 3.473 20 5 EGBDHN C[C@@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000301563178 456148072 /nfs/dbraw/zinc/14/80/72/456148072.db2.gz VJSYADNDOLDQGS-GDBMZVCRSA-N 0 3 326.400 3.455 20 5 EGBDHN Cc1cc(N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301610523 456160756 /nfs/dbraw/zinc/16/07/56/456160756.db2.gz CPCCRNVZMMUGBK-GOEBONIOSA-N 0 3 326.400 3.373 20 5 EGBDHN CC(C)(NC(=O)C[C@@H](N)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000236662448 456166147 /nfs/dbraw/zinc/16/61/47/456166147.db2.gz CIXMFYNTPKYSGF-MRXNPFEDSA-N 0 3 327.384 3.036 20 5 EGBDHN Cc1nc(N2CC[C@H](C)N(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301647456 456173661 /nfs/dbraw/zinc/17/36/61/456173661.db2.gz IJUYVYUFUHWMBO-HNNXBMFYSA-N 0 3 340.427 3.399 20 5 EGBDHN O=C(CCN1CCC[C@H]1c1ccc[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000273215089 456217247 /nfs/dbraw/zinc/21/72/47/456217247.db2.gz XIBATVLXYFJBLF-INIZCTEOSA-N 0 3 346.362 3.228 20 5 EGBDHN COc1cc(CN[C@@H]2CSC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000352795762 456316618 /nfs/dbraw/zinc/31/66/18/456316618.db2.gz FFPZPKFLVQNURH-PSASIEDQSA-N 0 3 348.371 3.046 20 5 EGBDHN O=C(CCN1CCS[C@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000281861673 456342106 /nfs/dbraw/zinc/34/21/06/456342106.db2.gz AORRVSSTXGWZQP-CVEARBPZSA-N 0 3 349.456 3.283 20 5 EGBDHN CN(C[C@H]1CCN(C)[C@H]1c1cccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000343015479 456356856 /nfs/dbraw/zinc/35/68/56/456356856.db2.gz MPDOHQZBEFHGSR-PBHICJAKSA-N 0 3 344.390 3.258 20 5 EGBDHN CCOC(CCNCc1cc([N+](=O)[O-])ccc1OC(F)F)OCC ZINC000276254893 456426034 /nfs/dbraw/zinc/42/60/34/456426034.db2.gz SOXQHGLOGSKJDN-UHFFFAOYSA-N 0 3 348.346 3.075 20 5 EGBDHN CN1CC[C@H]2[C@@H](CCCN2c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276546970 456512526 /nfs/dbraw/zinc/51/25/26/456512526.db2.gz DVZIVVXPMJNVMA-HOCLYGCPSA-N 0 3 326.400 3.064 20 5 EGBDHN COc1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000282569420 456556427 /nfs/dbraw/zinc/55/64/27/456556427.db2.gz ZINRKGCNSFIJRR-UHFFFAOYSA-N 0 3 345.355 3.186 20 5 EGBDHN CCN(CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000291606083 456693527 /nfs/dbraw/zinc/69/35/27/456693527.db2.gz XRHCWKXCZXKAGP-UHFFFAOYSA-N 0 3 346.214 3.116 20 5 EGBDHN O=C(CCN1CCC[C@@H]1c1ccncc1)Nc1ccccc1[N+](=O)[O-] ZINC000299565801 456730357 /nfs/dbraw/zinc/73/03/57/456730357.db2.gz GYDRMICZYOJGAZ-MRXNPFEDSA-N 0 3 340.383 3.156 20 5 EGBDHN CNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000291861750 456781325 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COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(C)cc1CN(C)C ZINC000427596795 458006659 /nfs/dbraw/zinc/00/66/59/458006659.db2.gz NTKQEPFUZAEMNO-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN CC[C@]1(O)CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000428450217 458145618 /nfs/dbraw/zinc/14/56/18/458145618.db2.gz WSKVCNIKTMUJGG-SFHVURJKSA-N 0 3 346.383 3.210 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000376079142 458187733 /nfs/dbraw/zinc/18/77/33/458187733.db2.gz HAEHBUJXDSQKMI-HIFRSBDPSA-N 0 3 344.415 3.153 20 5 EGBDHN CCC1(CC)[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@@H]1OC ZINC000429288517 458308969 /nfs/dbraw/zinc/30/89/69/458308969.db2.gz WJAWVXFSPQNOHE-CABCVRRESA-N 0 3 349.431 3.025 20 5 EGBDHN CCO[C@@H]1C[C@H](N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@]12CCCO2 ZINC000447595393 458319509 /nfs/dbraw/zinc/31/95/09/458319509.db2.gz NGCXTNNFNABKDB-INDMIFKZSA-N 0 3 346.427 3.288 20 5 EGBDHN Cc1ccc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1C ZINC000459655695 458438144 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CCC[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000591734559 459426866 /nfs/dbraw/zinc/42/68/66/459426866.db2.gz OTVPMMKCEGGFOA-CQSZACIVSA-N 0 3 342.399 3.449 20 5 EGBDHN CC[C@@H](NCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000595766480 459432401 /nfs/dbraw/zinc/43/24/01/459432401.db2.gz WICHXYPTANATLX-LLVKDONJSA-N 0 3 330.331 3.483 20 5 EGBDHN CCN(C[C@H]1CCCN1CC)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000569553717 459470333 /nfs/dbraw/zinc/47/03/33/459470333.db2.gz POLIKUUSHZCJRM-FGTMMUONSA-N 0 3 345.443 3.031 20 5 EGBDHN CCCN(C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1 ZINC000591976848 459501816 /nfs/dbraw/zinc/50/18/16/459501816.db2.gz SMPUUJCMWFTJMG-GDBMZVCRSA-N 0 3 348.447 3.090 20 5 EGBDHN CCC[C@H](C)[C@@H]1CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000486789487 459519594 /nfs/dbraw/zinc/51/95/94/459519594.db2.gz SPYYRWFNWBEWRO-YOEHRIQHSA-N 0 3 333.432 3.458 20 5 EGBDHN Cc1cc(NCC2(N3CCCC3)CCOCC2)c([N+](=O)[O-])s1 ZINC000596115838 459527018 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COc1ccc([N+](=O)[O-])c(OCCN(C)Cc2ccc(F)cc2)c1 ZINC000592361235 459579958 /nfs/dbraw/zinc/57/99/58/459579958.db2.gz UZAPLVIWAZAGGT-UHFFFAOYSA-N 0 3 334.347 3.253 20 5 EGBDHN COC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C ZINC000592515608 459620948 /nfs/dbraw/zinc/62/09/48/459620948.db2.gz KNAQZUAKJFKCDQ-IUODEOHRSA-N 0 3 344.367 3.096 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000596787083 459762710 /nfs/dbraw/zinc/76/27/10/459762710.db2.gz CZEYBAGEOWHADJ-CQSZACIVSA-N 0 3 348.447 3.454 20 5 EGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000598266489 459844341 /nfs/dbraw/zinc/84/43/41/459844341.db2.gz YRNAFXUKRCWCFG-CYBMUJFWSA-N 0 3 345.399 3.191 20 5 EGBDHN CN(Cc1ccccc1)[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000587987449 459898268 /nfs/dbraw/zinc/89/82/68/459898268.db2.gz VEKUHDBIXJIVNW-OAHLLOKOSA-N 0 3 329.375 3.445 20 5 EGBDHN COc1ccc2c(c1)CCCN(CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000609133943 459908040 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O=[N+]([O-])c1sc(CN[C@H](CO)CC2CCC2)cc1Br ZINC000602639175 460036207 /nfs/dbraw/zinc/03/62/07/460036207.db2.gz VMZPXQAZJPGBNY-VIFPVBQESA-N 0 3 349.250 3.060 20 5 EGBDHN C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCC(C)CC1 ZINC000610062135 460057312 /nfs/dbraw/zinc/05/73/12/460057312.db2.gz PZPKNZRXSWNCDU-HNNXBMFYSA-N 0 3 347.459 3.109 20 5 EGBDHN CC(C)c1ccc(C(=O)N2[C@@H]3CC[C@H]2CCN(C)C3)cc1[N+](=O)[O-] ZINC000576148637 460079362 /nfs/dbraw/zinc/07/93/62/460079362.db2.gz ONJNNCHTIGDRRR-LSDHHAIUSA-N 0 3 331.416 3.027 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594098249 460101125 /nfs/dbraw/zinc/10/11/25/460101125.db2.gz RYQDLPAKUPMHMV-ZBFHGGJFSA-N 0 3 346.431 3.350 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(C)(c2ccccc2)CC1 ZINC000602796828 460131672 /nfs/dbraw/zinc/13/16/72/460131672.db2.gz AGWXRDHPDULATF-UHFFFAOYSA-N 0 3 328.416 3.153 20 5 EGBDHN CCc1nc2c(s1)[C@H](N(C)CCn1c(C)ncc1[N+](=O)[O-])CCC2 ZINC000602797959 460131881 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Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc(CCN2CCCCC2)nn1 ZINC000603250950 460272925 /nfs/dbraw/zinc/27/29/25/460272925.db2.gz MXDWWZXDXLKVBU-HNNXBMFYSA-N 0 3 343.431 3.132 20 5 EGBDHN Cc1nccc([C@H]2CCCN(CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000603834317 460344729 /nfs/dbraw/zinc/34/47/29/460344729.db2.gz QAWRGYCKFARDGQ-INIZCTEOSA-N 0 3 326.400 3.115 20 5 EGBDHN CCN(CCOc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2 ZINC000603846530 460346891 /nfs/dbraw/zinc/34/68/91/460346891.db2.gz ISWHNAUMWVXLPJ-UHFFFAOYSA-N 0 3 344.367 3.224 20 5 EGBDHN O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3C3CCOCC3)nc2c1 ZINC000611483734 460374091 /nfs/dbraw/zinc/37/40/91/460374091.db2.gz PUTSTUPLOFXXEN-HNNXBMFYSA-N 0 3 331.372 3.127 20 5 EGBDHN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000601456731 460815310 /nfs/dbraw/zinc/81/53/10/460815310.db2.gz VPMQNQABLXISMF-YVEFUNNKSA-N 0 3 345.374 3.155 20 5 EGBDHN CC(C)CC[C@@H]1CCC[C@H]1NCc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351492415 534929310 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EGBDHN CN(CCCOc1ccc(F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136931849 1293824623 /nfs/dbraw/zinc/82/46/23/1293824623.db2.gz ZJZIPAMZPIQWMX-GOSISDBHSA-N 0 3 348.374 3.168 20 5 EGBDHN C[C@](O)(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccco1 ZINC000174529594 1294506913 /nfs/dbraw/zinc/50/69/13/1294506913.db2.gz OTPHMPVENJPHOM-SFHVURJKSA-N 0 3 342.351 3.445 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC(=O)NC(C)(C)C ZINC000872046914 1296697273 /nfs/dbraw/zinc/69/72/73/1296697273.db2.gz OAZWLFKVNLFQDW-NSHDSACASA-N 0 3 339.461 3.272 20 5 EGBDHN CCO[C@@H]1C[C@H](NCc2c(C)ccc([N+](=O)[O-])c2C)[C@@]12CCCO2 ZINC000873105064 1297274784 /nfs/dbraw/zinc/27/47/84/1297274784.db2.gz SJJPVMBHLGQJGM-KSZLIROESA-N 0 3 334.416 3.028 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(OC[C@@H]2CCCO2)CC1 ZINC000876650799 1298899054 /nfs/dbraw/zinc/89/90/54/1298899054.db2.gz XSKMDVHUUDOQIF-KRWDZBQOSA-N 0 3 348.443 3.372 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCO[C@H](c3ccccc3)C2)c1 ZINC000749681861 1299253879 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1310369506 /nfs/dbraw/zinc/36/95/06/1310369506.db2.gz NAJCTYAMWHRAFA-BXUZGUMPSA-N 0 3 344.358 3.227 20 5 EGBDHN Cc1ccncc1CCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000809538251 1317827475 /nfs/dbraw/zinc/82/74/75/1317827475.db2.gz LOFIWUNAWFRWDR-UHFFFAOYSA-N 0 3 340.427 3.053 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCNC2(CCCCC2)C1 ZINC000906635363 1318130965 /nfs/dbraw/zinc/13/09/65/1318130965.db2.gz XWIZTGAUGWNUCO-UHFFFAOYSA-N 0 3 349.456 3.065 20 5 EGBDHN CC(COC(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1)[N+](=O)[O-] ZINC000813111252 1318500367 /nfs/dbraw/zinc/50/03/67/1318500367.db2.gz FEBNUGIJVNCIPG-JTQLQIEISA-N 0 3 349.364 3.008 20 5 EGBDHN Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813105614 1318500775 /nfs/dbraw/zinc/50/07/75/1318500775.db2.gz QCQURSRMKARZAN-AWEZNQCLSA-N 0 3 341.363 3.356 20 5 EGBDHN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813111954 1318500857 /nfs/dbraw/zinc/50/08/57/1318500857.db2.gz YEZUYCHMTOBDJV-CYBMUJFWSA-N 0 3 327.336 3.048 20 5 EGBDHN Cc1ccccc1-n1ncc(C(=O)OCC(C)[N+](=O)[O-])c1C(C)C ZINC000813109001 1318500969 /nfs/dbraw/zinc/50/09/69/1318500969.db2.gz NJTWGSLBCKLNMC-CYBMUJFWSA-N 0 3 331.372 3.126 20 5 EGBDHN CC(COC(=O)c1cc(-c2ccccn2)nc2ccccc21)[N+](=O)[O-] ZINC000813104825 1318501227 /nfs/dbraw/zinc/50/12/27/1318501227.db2.gz RYXXSQUAHGQZJB-GFCCVEGCSA-N 0 3 337.335 3.119 20 5 EGBDHN O=[N+]([O-])CCN[C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000930372189 1328843971 /nfs/dbraw/zinc/84/39/71/1328843971.db2.gz HIVSUWOKPYIVMW-AWEZNQCLSA-N 0 3 332.322 3.039 20 5 EGBDHN C[C@@H](c1ccncc1)N1CCC(Nc2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000819922294 1319802667 /nfs/dbraw/zinc/80/26/67/1319802667.db2.gz AJOBPWPUJYVMBM-ZDUSSCGKSA-N 0 3 341.415 3.210 20 5 EGBDHN Cc1cc(Cl)c(C(=O)N(CCN(C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000827063893 1320424586 /nfs/dbraw/zinc/42/45/86/1320424586.db2.gz LPLNIPGPAFZSGD-UHFFFAOYSA-N 0 3 341.839 3.216 20 5 EGBDHN Cc1cc(Cl)c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000839440451 1320921052 /nfs/dbraw/zinc/92/10/52/1320921052.db2.gz TXOYMKUMXCSOAE-GFCCVEGCSA-N 0 3 339.823 3.111 20 5 EGBDHN CC([C@H](OC(=O)CCc1ccccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845873610 1321747814 /nfs/dbraw/zinc/74/78/14/1321747814.db2.gz DIBLSHDBNVVVKY-SJCJKPOMSA-N 0 3 332.331 3.103 20 5 EGBDHN CC([C@@H](OC(=O)CCc1cscn1)c1ccccc1F)[N+](=O)[O-] ZINC000845874817 1321748905 /nfs/dbraw/zinc/74/89/05/1321748905.db2.gz ISGKMWKQPMZJJZ-ZUZCIYMTSA-N 0 3 338.360 3.165 20 5 EGBDHN CCc1ncsc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845877528 1321749279 /nfs/dbraw/zinc/74/92/79/1321749279.db2.gz QFFVUTZLFSFLIG-TVQRCGJNSA-N 0 3 338.360 3.408 20 5 EGBDHN CC([C@H](OC(=O)c1coc(C2CC2)n1)c1ccccc1F)[N+](=O)[O-] ZINC000845883776 1321751176 /nfs/dbraw/zinc/75/11/76/1321751176.db2.gz VXHXMZYNHCNLFT-XPTSAGLGSA-N 0 3 334.303 3.254 20 5 EGBDHN COC(=O)Cc1ccccc1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000848571287 1321977972 /nfs/dbraw/zinc/97/79/72/1321977972.db2.gz FHCRKDSBHXAVAK-AWEZNQCLSA-N 0 3 342.395 3.470 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@](C)(O)c1ccccc1 ZINC000850436165 1322248655 /nfs/dbraw/zinc/24/86/55/1322248655.db2.gz SSBOISINMDMLHH-ACJLOTCBSA-N 0 3 330.384 3.162 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@]1(O)CCc2ccccc21 ZINC000850449240 1322251178 /nfs/dbraw/zinc/25/11/78/1322251178.db2.gz XSPKQGMGSUIZPQ-BFUOFWGJSA-N 0 3 342.395 3.088 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@]1(O)CCc2ccccc21 ZINC000850449243 1322251765 /nfs/dbraw/zinc/25/17/65/1322251765.db2.gz XSPKQGMGSUIZPQ-YJYMSZOUSA-N 0 3 342.395 3.088 20 5 EGBDHN C[C@H]1CCC[C@@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853489123 1325102279 /nfs/dbraw/zinc/10/22/79/1325102279.db2.gz GSEHAUJSHWIQGW-UONOGXRCSA-N 0 3 329.404 3.321 20 5 EGBDHN C[C@@H]1CCC[C@H](N(C)Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853489122 1325102622 /nfs/dbraw/zinc/10/26/22/1325102622.db2.gz GSEHAUJSHWIQGW-KGLIPLIRSA-N 0 3 329.404 3.321 20 5 EGBDHN CCC(CC)N(Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)C1CC1 ZINC000853490752 1325103914 /nfs/dbraw/zinc/10/39/14/1325103914.db2.gz HENUOCNNAMNCQS-UHFFFAOYSA-N 0 3 329.404 3.464 20 5 EGBDHN CC(=O)N[C@H](c1ccccc1F)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000925307928 1325120076 /nfs/dbraw/zinc/12/00/76/1325120076.db2.gz OWQVLLMGJPWLDK-XIKOKIGWSA-N 0 3 345.374 3.089 20 5 EGBDHN CCCN1CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000856073375 1325445501 /nfs/dbraw/zinc/44/55/01/1325445501.db2.gz OICBYKOFDYHIPA-JTQLQIEISA-N 0 3 346.214 3.116 20 5 EGBDHN Cn1nc(CN[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C1CC1 ZINC000927113099 1327872115 /nfs/dbraw/zinc/87/21/15/1327872115.db2.gz WHUZSFHHXPUOPS-QGZVFWFLSA-N 0 3 340.427 3.317 20 5 EGBDHN CC(C)n1ncc2c1[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC001325844159 1388054667 /nfs/dbraw/zinc/05/46/67/1388054667.db2.gz OOYOFHFXZYRHKY-IAGOWNOFSA-N 0 3 344.415 3.073 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@@H]4CCCC[C@H]4C3)n2)cc1 ZINC001116018009 1370820624 /nfs/dbraw/zinc/82/06/24/1370820624.db2.gz SWYKMCQDAJFJNK-HOCLYGCPSA-N 0 3 341.415 3.323 20 5 EGBDHN CC(C)[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001120467320 1371585974 /nfs/dbraw/zinc/58/59/74/1371585974.db2.gz JKOQQYKKHFHUNI-GOSISDBHSA-N 0 3 342.399 3.305 20 5 EGBDHN CC([C@H](OC(=O)c1cnc(C2CC2)o1)c1ccccc1F)[N+](=O)[O-] ZINC001123018791 1372363377 /nfs/dbraw/zinc/36/33/77/1372363377.db2.gz NLLUQVVUVNYRBI-OTYXRUKQSA-N 0 3 334.303 3.254 20 5 EGBDHN O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1CC[C@@H]2NCCO[C@@H]21 ZINC001218117538 1373564507 /nfs/dbraw/zinc/56/45/07/1373564507.db2.gz YUCYNSBWNBZPBP-SNRMKQJTSA-N 0 3 340.379 3.160 20 5 EGBDHN O=c1oc2cc(O[C@H]3CNCCC3(F)F)ccc2c2ccccc12 ZINC001218448097 1373614700 /nfs/dbraw/zinc/61/47/00/1373614700.db2.gz LFMLRJCJIDUIIK-INIZCTEOSA-N 0 3 331.318 3.322 20 5 EGBDHN O=[N+]([O-])c1cccc([O-])c1OC1CC[NH+](CCc2ccccc2)CC1 ZINC001226334913 1375242112 /nfs/dbraw/zinc/24/21/12/1375242112.db2.gz AKZCTPVYAPAGCN-UHFFFAOYSA-N 0 3 342.395 3.386 20 5 EGBDHN C[C@H](c1ccccn1)N1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395780 1375826693 /nfs/dbraw/zinc/82/66/93/1375826693.db2.gz LVUUBBBVFNYPGF-HIFRSBDPSA-N 0 3 343.383 3.300 20 5 EGBDHN C[C@H](c1ccccn1)[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395780 1375826698 /nfs/dbraw/zinc/82/66/98/1375826698.db2.gz LVUUBBBVFNYPGF-HIFRSBDPSA-N 0 3 343.383 3.300 20 5 EGBDHN C[C@H](c1ccccn1)[N@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395780 1375826701 /nfs/dbraw/zinc/82/67/01/1375826701.db2.gz LVUUBBBVFNYPGF-HIFRSBDPSA-N 0 3 343.383 3.300 20 5 EGBDHN Cc1cccc(Cl)c1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001133314399 1375916936 /nfs/dbraw/zinc/91/69/36/1375916936.db2.gz JXSYVFZPVCQJFN-UHFFFAOYSA-N 0 3 347.802 3.076 20 5 EGBDHN CCN1CCC(N(C)C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1 ZINC001165068908 1383221727 /nfs/dbraw/zinc/22/17/27/1383221727.db2.gz YQWGJTIFSSOREH-UHFFFAOYSA-N 0 3 348.781 3.109 20 5 EGBDHN CCCCC1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001165895858 1383359997 /nfs/dbraw/zinc/35/99/97/1383359997.db2.gz UOFMLBNOCJJHDN-UHFFFAOYSA-N 0 3 333.432 3.161 20 5 EGBDHN NCc1nn(-c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)c2ccccc12 ZINC001167697499 1383714605 /nfs/dbraw/zinc/71/46/05/1383714605.db2.gz CKSUQLHWYFVNEZ-UHFFFAOYSA-N 0 3 336.273 3.411 20 5 EGBDHN CC1(C)CC(Nc2cc3c(cc2[N+](=O)[O-])CNC3)CC(C)(C)N1O ZINC001167717874 1383721084 /nfs/dbraw/zinc/72/10/84/1383721084.db2.gz GACCYQOUNNJKKK-UHFFFAOYSA-N 0 3 334.420 3.021 20 5 EGBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N[C@H](CO)c2ccc(Cl)cc2Cl)C1 ZINC001168976751 1384076726 /nfs/dbraw/zinc/07/67/26/1384076726.db2.gz GBLLWJJFJCANIC-OLUVUFQESA-N 0 3 333.215 3.062 20 5 EGBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2csc(-c3cccc(F)c3)n2)C1 ZINC001169003591 1384084877 /nfs/dbraw/zinc/08/48/77/1384084877.db2.gz OMRQVGAUNQYDFR-BXUZGUMPSA-N 0 3 335.404 3.484 20 5 EGBDHN C[C@@H](Nc1nc2c(ccc3ccccc32)nc1Cl)[C@H]1CNCCO1 ZINC001170568448 1384344236 /nfs/dbraw/zinc/34/42/36/1384344236.db2.gz HYYQKTBXKMWUEI-IAQYHMDHSA-N 0 3 342.830 3.225 20 5 EGBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc2c(n1)[nH]cc2[N+](=O)[O-] ZINC001170679118 1384363266 /nfs/dbraw/zinc/36/32/66/1384363266.db2.gz OZXDUUFNECOREH-NSHDSACASA-N 0 3 348.366 3.344 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cn(CC2CCC2)cn1 ZINC001173224776 1384939189 /nfs/dbraw/zinc/93/91/89/1384939189.db2.gz OWAOSPZQOFTLIB-AWEZNQCLSA-N 0 3 328.416 3.312 20 5 EGBDHN COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(C(C)(C)C)CC1 ZINC001330591748 1389463540 /nfs/dbraw/zinc/46/35/40/1389463540.db2.gz WKONWAUASHXYAP-UHFFFAOYSA-N 0 3 344.415 3.072 20 5 EGBDHN CC(C)n1ccc(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC001348738933 1391259562 /nfs/dbraw/zinc/25/95/62/1391259562.db2.gz XDTYCRLITBNYON-YVEFUNNKSA-N 0 3 349.362 3.095 20 5 EGBDHN CCCC1(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001753220204 1440340148 /nfs/dbraw/zinc/34/01/48/1440340148.db2.gz POLFYSFPYDBNQP-UHFFFAOYSA-N 0 3 333.432 3.113 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN[C@H](CCCO)c2ccccc2)cc1 ZINC000179727126 233376772 /nfs/dbraw/zinc/37/67/72/233376772.db2.gz FAUZLJBIGBWSDR-GOSISDBHSA-N 0 3 330.384 3.077 20 5 EGBDHN Cc1c([C@H](C)NCCNC(=O)c2ccccc2F)cccc1[N+](=O)[O-] ZINC000130919915 223188106 /nfs/dbraw/zinc/18/81/06/223188106.db2.gz ICXYEDYOAWJHHM-ZDUSSCGKSA-N 0 3 345.374 3.123 20 5 EGBDHN CCCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000072950246 216330831 /nfs/dbraw/zinc/33/08/31/216330831.db2.gz JSNYMLDBPUPVGW-UHFFFAOYSA-N 0 3 325.796 3.309 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCS[C@@H](C)[C@H]1C ZINC000246469493 243257899 /nfs/dbraw/zinc/25/78/99/243257899.db2.gz XIFFKVSOWDWCHY-OLZOCXBDSA-N 0 3 337.445 3.058 20 5 EGBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](C)C1 ZINC000264941991 247069263 /nfs/dbraw/zinc/06/92/63/247069263.db2.gz SBUDBRQMKUZFCE-RYUDHWBXSA-N 0 3 339.823 3.098 20 5 EGBDHN O=[N+]([O-])c1ccccc1NCc1ccccc1CN1CCC(O)CC1 ZINC000266221331 248184231 /nfs/dbraw/zinc/18/42/31/248184231.db2.gz HXPILHUXZZHYRE-UHFFFAOYSA-N 0 3 341.411 3.164 20 5 EGBDHN CCC[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCN1CCOC ZINC000091858090 218078194 /nfs/dbraw/zinc/07/81/94/218078194.db2.gz DELODEDGWIPXGY-YOCVDRLZSA-N 0 3 347.459 3.041 20 5 EGBDHN COc1ccccc1[C@@H](CC(C)C)NCCn1ccc([N+](=O)[O-])n1 ZINC000181697725 532969237 /nfs/dbraw/zinc/96/92/37/532969237.db2.gz XUCANEBAAKMMBE-OAHLLOKOSA-N 0 3 332.404 3.177 20 5 EGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H](N2CCCC2)C1 ZINC000072089526 285085944 /nfs/dbraw/zinc/08/59/44/285085944.db2.gz NHEQGYIONVCBRR-GFCCVEGCSA-N 0 3 329.322 3.288 20 5 EGBDHN O=[N+]([O-])c1ccccc1CNCCc1nc(-c2ccncc2)cs1 ZINC000344553476 141172746 /nfs/dbraw/zinc/17/27/46/141172746.db2.gz ORQALVZXHMVKCH-UHFFFAOYSA-N 0 3 340.408 3.446 20 5 EGBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN(C)C ZINC000346266369 141188850 /nfs/dbraw/zinc/18/88/50/141188850.db2.gz OWLGTXSVGJOGPZ-GFCCVEGCSA-N 0 3 339.461 3.167 20 5 EGBDHN O=[N+]([O-])c1cnn(CCNC2(c3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000350724236 141262784 /nfs/dbraw/zinc/26/27/84/141262784.db2.gz IZTIZXBFXZPBSJ-UHFFFAOYSA-N 0 3 341.198 3.377 20 5 EGBDHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000172112360 144015441 /nfs/dbraw/zinc/01/54/41/144015441.db2.gz XNDRWKFXNYGURL-HNNXBMFYSA-N 0 3 345.424 3.051 20 5 EGBDHN CCC1(CC)[C@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000178365635 144069981 /nfs/dbraw/zinc/06/99/81/144069981.db2.gz FQEPVUSABIZGML-APHBMKBZSA-N 0 3 349.431 3.105 20 5 EGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186742477 144142407 /nfs/dbraw/zinc/14/24/07/144142407.db2.gz XQYMIEMPLFTIHY-OLZOCXBDSA-N 0 3 349.456 3.016 20 5 EGBDHN CN(c1ccccc1)c1ccc(CNCCN2CCC2)cc1[N+](=O)[O-] ZINC000344845431 144229927 /nfs/dbraw/zinc/22/99/27/144229927.db2.gz JOXUKOGMLORLQI-UHFFFAOYSA-N 0 3 340.427 3.158 20 5 EGBDHN COC[C@H](C)N(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000352285015 144322632 /nfs/dbraw/zinc/32/26/32/144322632.db2.gz CYTKNBFDVQVGTF-LBPRGKRZSA-N 0 3 334.372 3.330 20 5 EGBDHN CC(=O)c1cc(NC[C@H](Cc2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000341336980 155239201 /nfs/dbraw/zinc/23/92/01/155239201.db2.gz DEKSRSCUAZQKBM-KRWDZBQOSA-N 0 3 341.411 3.382 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CCCC[C@]32c2ccccc2)c1 ZINC000120157901 152256547 /nfs/dbraw/zinc/25/65/47/152256547.db2.gz COGHCDYWGFRRIQ-WMZOPIPTSA-N 0 3 326.400 3.193 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN2C[C@H]3CCCC[C@]32c2ccccc2)c1 ZINC000120157599 152256713 /nfs/dbraw/zinc/25/67/13/152256713.db2.gz COGHCDYWGFRRIQ-AEFFLSMTSA-N 0 3 326.400 3.193 20 5 EGBDHN CCO[C@H]1C[C@@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCC2 ZINC000120811579 152301427 /nfs/dbraw/zinc/30/14/27/152301427.db2.gz YZSXXQCLPUQXMM-SJORKVTESA-N 0 3 334.416 3.383 20 5 EGBDHN Cc1cnc(N[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000309935136 154139407 /nfs/dbraw/zinc/13/94/07/154139407.db2.gz ALVIZNCDSJRLTJ-MRXNPFEDSA-N 0 3 326.400 3.375 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)n1 ZINC000336703971 154209521 /nfs/dbraw/zinc/20/95/21/154209521.db2.gz LSAIKVXXTQFRIF-GOEBONIOSA-N 0 3 326.400 3.373 20 5 EGBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H]2CCO[C@H]2C2CC2)c1 ZINC000339125418 154709208 /nfs/dbraw/zinc/70/92/08/154709208.db2.gz VNDFKAJMWBRGFM-KGLIPLIRSA-N 0 3 330.306 3.271 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(C)CCO[C@H]1C1CC1 ZINC000368765535 157284905 /nfs/dbraw/zinc/28/49/05/157284905.db2.gz PNNJTWGSGXDOKN-ROUUACIJSA-N 0 3 334.416 3.288 20 5 EGBDHN CC[C@@H](C)[C@](C)(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000112380184 162174238 /nfs/dbraw/zinc/17/42/38/162174238.db2.gz UCENCFKNLNNIOW-MEBBXXQBSA-N 0 3 332.347 3.083 20 5 EGBDHN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](C2CC2)C1 ZINC000343954217 164072547 /nfs/dbraw/zinc/07/25/47/164072547.db2.gz MMHVWNTZSAYNPU-SMDDNHRTSA-N 0 3 328.372 3.438 20 5 EGBDHN C[C@H]1[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCN1C ZINC000344370703 164165686 /nfs/dbraw/zinc/16/56/86/164165686.db2.gz YEMXDUUQXLNJIL-SUMWQHHRSA-N 0 3 329.400 3.427 20 5 EGBDHN C[C@@]1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1 ZINC000344381896 164167606 /nfs/dbraw/zinc/16/76/06/164167606.db2.gz NEOKIMAVVUZZRH-INIZCTEOSA-N 0 3 333.413 3.235 20 5 EGBDHN C[C@@H]1CCCC[C@H]1OCCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345633634 164231356 /nfs/dbraw/zinc/23/13/56/164231356.db2.gz KPTVGKJURMWPMM-BFYDXBDKSA-N 0 3 348.447 3.071 20 5 EGBDHN CC(C)c1ccc(CN(CCO)[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000355486941 166218192 /nfs/dbraw/zinc/21/81/92/166218192.db2.gz PRFXDJKKHZIQAD-HNNXBMFYSA-N 0 3 338.473 3.408 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@H](CO)CC3CCC3)o2)cc1 ZINC000355533117 166234816 /nfs/dbraw/zinc/23/48/16/166234816.db2.gz OXQHKFHEFHAZBU-HNNXBMFYSA-N 0 3 330.384 3.496 20 5 EGBDHN Cn1cc2c(n1)CCC[C@@H]2NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000359003949 167034847 /nfs/dbraw/zinc/03/48/47/167034847.db2.gz OYUCXQOEYMSBKX-AWEZNQCLSA-N 0 3 334.807 3.191 20 5 EGBDHN CC[C@H](C)N[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1C)c1ccco1 ZINC000359555660 167192456 /nfs/dbraw/zinc/19/24/56/167192456.db2.gz KYGWIXAGXKKYEI-XJKSGUPXSA-N 0 3 345.399 3.355 20 5 EGBDHN CC[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N(CC)CC ZINC000359671998 167206837 /nfs/dbraw/zinc/20/68/37/167206837.db2.gz CVPKTWFYOYGNMB-QGZVFWFLSA-N 0 3 333.432 3.206 20 5 EGBDHN CCN(C)c1ccc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000359696847 167211843 /nfs/dbraw/zinc/21/18/43/167211843.db2.gz QBAZDOIAQGQJDM-UHFFFAOYSA-N 0 3 348.834 3.432 20 5 EGBDHN CC(C)(C)n1cc(CNCCCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000359716646 167212404 /nfs/dbraw/zinc/21/24/04/167212404.db2.gz HRJAYLHDWZJOTQ-UHFFFAOYSA-N 0 3 331.420 3.054 20 5 EGBDHN CCc1oc2ccccc2c1CN(C)CCn1cc([N+](=O)[O-])cn1 ZINC000174812365 265073793 /nfs/dbraw/zinc/07/37/93/265073793.db2.gz HQSBRDHNYUOXTP-UHFFFAOYSA-N 0 3 328.372 3.232 20 5 EGBDHN COc1cc(CN(C)CCCOc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000177053294 265225827 /nfs/dbraw/zinc/22/58/27/265225827.db2.gz RHNCPMIZHQTSOO-UHFFFAOYSA-N 0 3 346.383 3.210 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000192952693 265999497 /nfs/dbraw/zinc/99/94/97/265999497.db2.gz CAFWYYLJPAWHAX-INIZCTEOSA-N 0 3 326.400 3.232 20 5 EGBDHN O=C1NCCCC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000238089014 266254508 /nfs/dbraw/zinc/25/45/08/266254508.db2.gz GLXSQSPNYUBKPI-CQSZACIVSA-N 0 3 345.424 3.082 20 5 EGBDHN Cc1cccc(NCc2ccccc2CN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000275475542 267367025 /nfs/dbraw/zinc/36/70/25/267367025.db2.gz OQGCXEOXZMNECY-QGZVFWFLSA-N 0 3 341.411 3.082 20 5 EGBDHN O=[N+]([O-])c1ccccc1CN1CCC[C@]1(CO)Cc1ccccc1 ZINC000355729519 275039844 /nfs/dbraw/zinc/03/98/44/275039844.db2.gz LWAMKJBVBCXQSD-LJQANCHMSA-N 0 3 326.396 3.164 20 5 EGBDHN C[C@@H]1C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000090795080 275153552 /nfs/dbraw/zinc/15/35/52/275153552.db2.gz KDRAIFBAPATJII-KOLCDFICSA-N 0 3 328.210 3.252 20 5 EGBDHN CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000106439630 275168670 /nfs/dbraw/zinc/16/86/70/275168670.db2.gz XWDGGERPWHHFAX-CHWSQXEVSA-N 0 3 349.431 3.441 20 5 EGBDHN O=[N+]([O-])c1cccc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c1 ZINC000189611153 275219994 /nfs/dbraw/zinc/21/99/94/275219994.db2.gz UNTZUCMVNAUESH-TZMCWYRMSA-N 0 3 332.322 3.168 20 5 EGBDHN CCNC(=O)C(C)(C)CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279007619 275295598 /nfs/dbraw/zinc/29/55/98/275295598.db2.gz GPHOIQSTTSLFSQ-OAHLLOKOSA-N 0 3 333.432 3.069 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNC(=O)c1cccs1 ZINC000344916894 275398487 /nfs/dbraw/zinc/39/84/87/275398487.db2.gz VWTUMJZXTUVNHK-RAXLEYEMSA-N 0 3 345.424 3.079 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000287099658 276083354 /nfs/dbraw/zinc/08/33/54/276083354.db2.gz WRSHDTQMMUPPIW-UHFFFAOYSA-N 0 3 334.420 3.243 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000289559326 276357821 /nfs/dbraw/zinc/35/78/21/276357821.db2.gz GDCPTRNNPXWLCC-UHFFFAOYSA-N 0 3 339.823 3.196 20 5 EGBDHN C[C@H](NC[C@]1(CO)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000289661728 276374165 /nfs/dbraw/zinc/37/41/65/276374165.db2.gz GTNQRKSFZYVZQG-KYNGSXCRSA-N 0 3 326.396 3.412 20 5 EGBDHN COC(=O)C(C)(C)CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290933317 276562457 /nfs/dbraw/zinc/56/24/57/276562457.db2.gz SGSSDYUIZOLSGQ-UHFFFAOYSA-N 0 3 335.187 3.190 20 5 EGBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)[C@H]1OCCc2sccc21 ZINC000292275264 276761091 /nfs/dbraw/zinc/76/10/91/276761091.db2.gz BJSZAOLUAYFRDQ-YVEFUNNKSA-N 0 3 348.424 3.327 20 5 EGBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC000352085014 277146706 /nfs/dbraw/zinc/14/67/06/277146706.db2.gz XABUGXFFBHBGPN-YGRLFVJLSA-N 0 3 329.322 3.144 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C ZINC000376397352 301202401 /nfs/dbraw/zinc/20/24/01/301202401.db2.gz RESBUESZTWFZMW-ZBFHGGJFSA-N 0 3 345.443 3.219 20 5 EGBDHN Cc1ccc(C(=O)NCCN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000131856608 307650571 /nfs/dbraw/zinc/65/05/71/307650571.db2.gz XYZZOHIEEBYNFG-OAHLLOKOSA-N 0 3 341.411 3.292 20 5 EGBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H]2CCC[C@H]2CCO)c1 ZINC000294174370 308197052 /nfs/dbraw/zinc/19/70/52/308197052.db2.gz QCYCLAHDLMSQBY-IINYFYTJSA-N 0 3 332.322 3.254 20 5 EGBDHN Cc1ccc([C@H](C)NC[C@@H](O)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000294394629 308217460 /nfs/dbraw/zinc/21/74/60/308217460.db2.gz CEBKPTHRHGUKRW-GUYCJALGSA-N 0 3 332.375 3.297 20 5 EGBDHN Cc1ccc(CN2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1[N+](=O)[O-] ZINC000294688009 308246076 /nfs/dbraw/zinc/24/60/76/308246076.db2.gz CCUNLZAFWGYJII-OAHLLOKOSA-N 0 3 333.432 3.017 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCc1ncccc1C ZINC000294702384 308247734 /nfs/dbraw/zinc/24/77/34/308247734.db2.gz BHEGVQFLRNMWLR-UHFFFAOYSA-N 0 3 329.400 3.419 20 5 EGBDHN C[C@H](NCC1([C@@H](O)c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294922658 308271754 /nfs/dbraw/zinc/27/17/54/308271754.db2.gz XCGFSTLKVAHVSQ-UGSOOPFHSA-N 0 3 341.411 3.341 20 5 EGBDHN CC[C@@](CNCc1ccc([N+](=O)[O-])cc1)(C(=O)OC)c1ccccc1 ZINC000414594545 309091143 /nfs/dbraw/zinc/09/11/43/309091143.db2.gz YLYDSQGFWZWZTP-IBGZPJMESA-N 0 3 342.395 3.205 20 5 EGBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295491692 308332317 /nfs/dbraw/zinc/33/23/17/308332317.db2.gz QEXKDYYNNWZCGE-UHFFFAOYSA-N 0 3 333.432 3.365 20 5 EGBDHN CC[C@@H](C)N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000296007419 308384094 /nfs/dbraw/zinc/38/40/94/308384094.db2.gz LBIDADACDZJYBI-CQSZACIVSA-N 0 3 344.415 3.166 20 5 EGBDHN COc1cc(N[C@@H](C)CN2CCCCCC2)c(F)cc1[N+](=O)[O-] ZINC000302452750 308737506 /nfs/dbraw/zinc/73/75/06/308737506.db2.gz UAEXUGRFAVMVEM-LBPRGKRZSA-N 0 3 325.384 3.419 20 5 EGBDHN O=[N+]([O-])c1cnc(NC[C@@H](c2ccccc2)N2CCCC2)c(F)c1 ZINC000413028142 309012375 /nfs/dbraw/zinc/01/23/75/309012375.db2.gz OLPKVJPDBPDGJE-INIZCTEOSA-N 0 3 330.363 3.378 20 5 EGBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000413260408 309024035 /nfs/dbraw/zinc/02/40/35/309024035.db2.gz FFXQYXLFZWUYEU-AWEZNQCLSA-N 0 3 330.363 3.063 20 5 EGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413278135 309024731 /nfs/dbraw/zinc/02/47/31/309024731.db2.gz FYSOKSTUEVRQNG-PWSUYJOCSA-N 0 3 344.337 3.072 20 5 EGBDHN C[C@@](O)(CN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000417313421 309201284 /nfs/dbraw/zinc/20/12/84/309201284.db2.gz VYAQVDBJVPIKPU-ZIAGYGMSSA-N 0 3 332.322 3.265 20 5 EGBDHN COC(=O)[C@H]1CC[C@@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417325887 309201684 /nfs/dbraw/zinc/20/16/84/309201684.db2.gz FSXRCCRVHGVUPN-JJRVBVJISA-N 0 3 332.400 3.294 20 5 EGBDHN CCC[C@H](N[C@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417381048 309203653 /nfs/dbraw/zinc/20/36/53/309203653.db2.gz HYRDLSOCJBXPCA-ZFWWWQNUSA-N 0 3 327.375 3.365 20 5 EGBDHN O=[N+]([O-])c1cc(CN2CC[C@H](C3CCCC3)C2)c2c(c1)COCO2 ZINC000420961070 309304599 /nfs/dbraw/zinc/30/45/99/309304599.db2.gz HVRLZAUCKRKVRY-AWEZNQCLSA-N 0 3 332.400 3.473 20 5 EGBDHN CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccsc1 ZINC000421012840 309307305 /nfs/dbraw/zinc/30/73/05/309307305.db2.gz QTGKYTGWGYOSCW-ZDUSSCGKSA-N 0 3 335.429 3.290 20 5 EGBDHN CC(C)(NC[C@H](O)CCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429236078 309574441 /nfs/dbraw/zinc/57/44/41/309574441.db2.gz LBHDAUOUNQRSDK-MRXNPFEDSA-N 0 3 328.412 3.413 20 5 EGBDHN CN(C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000455098812 310344569 /nfs/dbraw/zinc/34/45/69/310344569.db2.gz MBLBYHPOFIFIMM-UHFFFAOYSA-N 0 3 348.325 3.075 20 5 EGBDHN COCCN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000448375625 310003425 /nfs/dbraw/zinc/00/34/25/310003425.db2.gz UTVOLTYUQHLXCE-HQQUCIOCSA-N 0 3 336.457 3.452 20 5 EGBDHN CCN1C[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1=O ZINC000449518038 310068783 /nfs/dbraw/zinc/06/87/83/310068783.db2.gz MGICWHOEWYDJII-LBPRGKRZSA-N 0 3 345.424 3.034 20 5 EGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCCC[C@@H]2CCOC2)c1 ZINC000449684773 310080789 /nfs/dbraw/zinc/08/07/89/310080789.db2.gz QDKBWWODKSAPEY-LLVKDONJSA-N 0 3 330.331 3.103 20 5 EGBDHN Cc1cc(C)c(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000449733762 310083159 /nfs/dbraw/zinc/08/31/59/310083159.db2.gz JRQCCQQHKFEPOP-AWEZNQCLSA-N 0 3 342.399 3.114 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000451508480 310181848 /nfs/dbraw/zinc/18/18/48/310181848.db2.gz XHSJWYODXDNAHB-HZPDHXFCSA-N 0 3 349.431 3.023 20 5 EGBDHN Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1CN(C)C ZINC000458319251 310498013 /nfs/dbraw/zinc/49/80/13/310498013.db2.gz OWVDCUPKJHUSSR-UHFFFAOYSA-N 0 3 327.384 3.146 20 5 EGBDHN CO[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCC2 ZINC000459724321 310570876 /nfs/dbraw/zinc/57/08/76/310570876.db2.gz ANIHQMCSIFSNPD-UONOGXRCSA-N 0 3 342.342 3.243 20 5 EGBDHN Cc1c(CN[C@@H](C)CC(=O)N(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000478509005 310860039 /nfs/dbraw/zinc/86/00/39/310860039.db2.gz XRPYJFVOFQPGFD-AWEZNQCLSA-N 0 3 341.411 3.434 20 5 EGBDHN Cc1cc(N2CCN(C)[C@@H](C(C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000487082248 311010160 /nfs/dbraw/zinc/01/01/60/311010160.db2.gz GFGBQUFAGBWKJB-QGZVFWFLSA-N 0 3 328.416 3.228 20 5 EGBDHN CCCC[C@@H]1CCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000492846899 311298675 /nfs/dbraw/zinc/29/86/75/311298675.db2.gz KNNXMUPNCFIAQH-RHSMWYFYSA-N 0 3 345.443 3.432 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCN(CC4CC4)CC3)o2)cc1 ZINC000509390180 312115658 /nfs/dbraw/zinc/11/56/58/312115658.db2.gz UKYSFKHYZGWAIK-UHFFFAOYSA-N 0 3 341.411 3.382 20 5 EGBDHN Cc1cc(NCCc2ccc(OCCN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000511398027 312159409 /nfs/dbraw/zinc/15/94/09/312159409.db2.gz YRQQCUBEWPOMEU-UHFFFAOYSA-N 0 3 343.427 3.498 20 5 EGBDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000511621487 312164528 /nfs/dbraw/zinc/16/45/28/312164528.db2.gz DYEDKFXPTAKWPY-LMCVGUAFSA-N 0 3 346.427 3.237 20 5 EGBDHN C[C@H](NC(=O)Nc1cccc2c1CCNC2)c1ccc([N+](=O)[O-])cc1 ZINC000516426662 312323535 /nfs/dbraw/zinc/32/35/35/312323535.db2.gz FHUXERHNLYNILD-LBPRGKRZSA-N 0 3 340.383 3.123 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](CO)Cc1ccco1)CCC2 ZINC000520332985 312501526 /nfs/dbraw/zinc/50/15/26/312501526.db2.gz WNGOOULJFZHMQZ-SCLBCKFNSA-N 0 3 330.384 3.006 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000537641124 314199506 /nfs/dbraw/zinc/19/95/06/314199506.db2.gz OBGAVVSEBNZVKN-SWLSCSKDSA-N 0 3 347.459 3.370 20 5 EGBDHN C[C@@]1(NCC(=O)Nc2ccccc2[N+](=O)[O-])CCCc2ccccc21 ZINC000538708035 314267832 /nfs/dbraw/zinc/26/78/32/314267832.db2.gz IYZQMGHOCOAZKU-LJQANCHMSA-N 0 3 339.395 3.375 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1ccc(-n2cncn2)cc1 ZINC000539088880 314295872 /nfs/dbraw/zinc/29/58/72/314295872.db2.gz CAWBUXUKHPSARK-AWEZNQCLSA-N 0 3 337.383 3.335 20 5 EGBDHN CCC[C@H](C)C(=O)NCCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000552072111 315195415 /nfs/dbraw/zinc/19/54/15/315195415.db2.gz VVRFGGXBWFTOMQ-SZGZABIGSA-N 0 3 333.432 3.140 20 5 EGBDHN C[C@H](N[C@@H]1CCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000554406664 315316429 /nfs/dbraw/zinc/31/64/29/315316429.db2.gz DRUACKLAMMNCMZ-TVQRCGJNSA-N 0 3 325.796 3.353 20 5 EGBDHN COc1cc2c(cc1CNCCc1ccccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000564654368 316183204 /nfs/dbraw/zinc/18/32/04/316183204.db2.gz QKNHKERTMRNGBQ-CYBMUJFWSA-N 0 3 342.395 3.259 20 5 EGBDHN CC(C)(C)C(C)(C)CNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569596149 316937623 /nfs/dbraw/zinc/93/76/23/316937623.db2.gz WWYJYZXBXJWZHS-UHFFFAOYSA-N 0 3 342.461 3.030 20 5 EGBDHN CN(CCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000572135394 317296865 /nfs/dbraw/zinc/29/68/65/317296865.db2.gz XIELZVYIOPEZCT-CYBMUJFWSA-N 0 3 331.338 3.056 20 5 EGBDHN Cc1cc(NCCN(C)C2CC2)c(Br)cc1[N+](=O)[O-] ZINC000234273349 456147685 /nfs/dbraw/zinc/14/76/85/456147685.db2.gz XUIHSLPCXDWEEF-UHFFFAOYSA-N 0 3 328.210 3.172 20 5 EGBDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173350418 323294725 /nfs/dbraw/zinc/29/47/25/323294725.db2.gz YYSXYMWYDNKIRR-QAPCUYQASA-N 0 3 344.411 3.302 20 5 EGBDHN Cc1cccc(C(C)(C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000179590593 323395327 /nfs/dbraw/zinc/39/53/27/323395327.db2.gz JBEVPBOYAXDVTA-QGZVFWFLSA-N 0 3 344.411 3.168 20 5 EGBDHN Cc1ccc(C)c(OC[C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180414280 323438898 /nfs/dbraw/zinc/43/88/98/323438898.db2.gz FPTASTZIBVFGET-MAUKXSAKSA-N 0 3 344.411 3.302 20 5 EGBDHN C[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cc2ccccc2s1 ZINC000184384360 323656492 /nfs/dbraw/zinc/65/64/92/323656492.db2.gz YEKLSZJHRYYYTO-GFCCVEGCSA-N 0 3 343.408 3.322 20 5 EGBDHN CCOc1ccc(NC(=O)CN[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000194005464 323848005 /nfs/dbraw/zinc/84/80/05/323848005.db2.gz UMIXXSCWLAELLE-OCCSQVGLSA-N 0 3 335.404 3.100 20 5 EGBDHN C[C@@H](CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000579196043 325074298 /nfs/dbraw/zinc/07/42/98/325074298.db2.gz XTDIWLQWBHGGCS-INIZCTEOSA-N 0 3 340.427 3.306 20 5 EGBDHN CCN1CCC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291489491 456658651 /nfs/dbraw/zinc/65/86/51/456658651.db2.gz SKSWNRNZFQCMDR-JTQLQIEISA-N 0 3 346.214 3.116 20 5 EGBDHN O=[N+]([O-])c1ccc(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000189617956 455223552 /nfs/dbraw/zinc/22/35/52/455223552.db2.gz WADHRADEPLHEQY-OCCSQVGLSA-N 0 3 332.322 3.168 20 5 EGBDHN C[C@H](NCCc1cc(F)cc2c1OCOC2)c1cccc([N+](=O)[O-])c1 ZINC000173384394 455276205 /nfs/dbraw/zinc/27/62/05/455276205.db2.gz ASBHQKDDYXSHDD-LBPRGKRZSA-N 0 3 346.358 3.494 20 5 EGBDHN C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CCCCCC1 ZINC000183742656 455324634 /nfs/dbraw/zinc/32/46/34/455324634.db2.gz DNFMTYWJSIVDTL-GFCCVEGCSA-N 0 3 339.823 3.129 20 5 EGBDHN CN(C)CCN(Cc1cccs1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000084070406 453966724 /nfs/dbraw/zinc/96/67/24/453966724.db2.gz SRGXPHZASCUUHR-UHFFFAOYSA-N 0 3 348.428 3.252 20 5 EGBDHN O=[N+]([O-])c1cccc(CNCCc2nc(-c3ccccn3)cs2)c1 ZINC000076894629 454046054 /nfs/dbraw/zinc/04/60/54/454046054.db2.gz YZGXFKMMLTUPPF-UHFFFAOYSA-N 0 3 340.408 3.446 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1 ZINC000056951602 454091846 /nfs/dbraw/zinc/09/18/46/454091846.db2.gz QGNMJUMJYVXAQG-UHFFFAOYSA-N 0 3 338.367 3.390 20 5 EGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000089580819 454163002 /nfs/dbraw/zinc/16/30/02/454163002.db2.gz UELUQLPZQRUDTC-CYBMUJFWSA-N 0 3 344.367 3.096 20 5 EGBDHN CC(C)(CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCCC1 ZINC000058841154 454236214 /nfs/dbraw/zinc/23/62/14/454236214.db2.gz NYPXSBYSKNVKLY-UHFFFAOYSA-N 0 3 344.415 3.070 20 5 EGBDHN COc1cc(OC)cc(OCCN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090453150 454307113 /nfs/dbraw/zinc/30/71/13/454307113.db2.gz BPDYMEYTGXYTAV-ZDUSSCGKSA-N 0 3 346.383 3.342 20 5 EGBDHN CCN1CCC(N(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000120566797 454319866 /nfs/dbraw/zinc/31/98/66/454319866.db2.gz NNUCGAIJGZPMSC-UHFFFAOYSA-N 0 3 347.459 3.449 20 5 EGBDHN COc1cc(CNC2CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061003413 454323715 /nfs/dbraw/zinc/32/37/15/454323715.db2.gz DAOZUPYFYQGDGB-UHFFFAOYSA-N 0 3 328.368 3.434 20 5 EGBDHN Cc1ccc([C@@H](C)N[C@@H]2CCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000090801433 454341444 /nfs/dbraw/zinc/34/14/44/454341444.db2.gz CEYSAFANZWLPEO-GDBMZVCRSA-N 0 3 326.400 3.228 20 5 EGBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])cn1)c1cccc(OC)c1 ZINC000073109525 454396501 /nfs/dbraw/zinc/39/65/01/454396501.db2.gz FZGSYYFFUJFQMT-QGZVFWFLSA-N 0 3 344.415 3.493 20 5 EGBDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000123079682 454599545 /nfs/dbraw/zinc/59/95/45/454599545.db2.gz IJPUPTMXAOTCAI-NWDGAFQWSA-N 0 3 340.383 3.485 20 5 EGBDHN CCCNC(=O)[C@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000092734129 454619238 /nfs/dbraw/zinc/61/92/38/454619238.db2.gz CXKAPYIPOUIWSR-INIZCTEOSA-N 0 3 347.459 3.456 20 5 EGBDHN Cc1ccccc1CN1CCC(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000052406902 454670681 /nfs/dbraw/zinc/67/06/81/454670681.db2.gz WJUGAAGSHYTTLQ-UHFFFAOYSA-N 0 3 326.400 3.375 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCNC(=O)CC1CCCC1 ZINC000153658841 454817813 /nfs/dbraw/zinc/81/78/13/454817813.db2.gz HWNPYFMSSDLBGO-CQSZACIVSA-N 0 3 333.432 3.250 20 5 EGBDHN Cc1ccc(CN(C)C)cc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000177338439 454853351 /nfs/dbraw/zinc/85/33/51/454853351.db2.gz RCAQBENMGDFCQI-UHFFFAOYSA-N 0 3 327.384 3.146 20 5 EGBDHN Cc1cc(C(=O)N(CC(C)C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000114143071 454945899 /nfs/dbraw/zinc/94/58/99/454945899.db2.gz QJUXVDNSGBXIPA-UHFFFAOYSA-N 0 3 333.432 3.096 20 5 EGBDHN COc1ccc2cc(CN(C)CCn3ccc([N+](=O)[O-])n3)ccc2c1 ZINC000267116483 455504152 /nfs/dbraw/zinc/50/41/52/455504152.db2.gz ZEQJDGMQCIIAEV-UHFFFAOYSA-N 0 3 340.383 3.085 20 5 EGBDHN O=[N+]([O-])c1cc(F)ccc1NCC1CCN(c2ccncc2)CC1 ZINC000180045217 455121826 /nfs/dbraw/zinc/12/18/26/455121826.db2.gz HCCYHMYZDIVREV-UHFFFAOYSA-N 0 3 330.363 3.457 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2cnc(CCN(CCCCO)C3CC3)o2)c1 ZINC000152512552 455129818 /nfs/dbraw/zinc/12/98/18/455129818.db2.gz AKYAYMCJXSFGCO-UHFFFAOYSA-N 0 3 345.399 3.029 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@]4(CCOC4)C3)o2)c1 ZINC000180137395 455138245 /nfs/dbraw/zinc/13/82/45/455138245.db2.gz GORGOLXKIVAFLI-GOSISDBHSA-N 0 3 328.368 3.467 20 5 EGBDHN C[C@@H](CN1CCC[C@H](C)C1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000245198013 455278942 /nfs/dbraw/zinc/27/89/42/455278942.db2.gz RRKJDIMMJSDFBO-STQMWFEESA-N 0 3 346.431 3.012 20 5 EGBDHN Cc1cccc(C[C@@H](CO)N[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000191603008 455502374 /nfs/dbraw/zinc/50/23/74/455502374.db2.gz CCSCMEXRDQVASI-WBVHZDCISA-N 0 3 328.412 3.466 20 5 EGBDHN CCN(CC)C(=O)CCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182544531 455537794 /nfs/dbraw/zinc/53/77/94/455537794.db2.gz BAKWOHVTTDOSBR-UHFFFAOYSA-N 0 3 347.459 3.455 20 5 EGBDHN CCC[C@@]1(CO)CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277751263 455654904 /nfs/dbraw/zinc/65/49/04/455654904.db2.gz LMTNSOMKCWQKLQ-SFHVURJKSA-N 0 3 345.399 3.377 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@H]1CCO[C@@H]1c1ccnn1C(C)C ZINC000284826942 455748772 /nfs/dbraw/zinc/74/87/72/455748772.db2.gz VHEDPKWMZZAVNW-WMZOPIPTSA-N 0 3 344.415 3.300 20 5 EGBDHN CC(=O)Nc1cccc(CN(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285255915 455814049 /nfs/dbraw/zinc/81/40/49/455814049.db2.gz HMXAZUVBUOXVOC-UHFFFAOYSA-N 0 3 327.384 3.228 20 5 EGBDHN Cc1c(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000187248704 455887002 /nfs/dbraw/zinc/88/70/02/455887002.db2.gz JTDUXLLYKYAOMM-KSSFIOAISA-N 0 3 341.411 3.324 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000296262784 455895266 /nfs/dbraw/zinc/89/52/66/455895266.db2.gz OEGOIOCSLSKWGO-UAGQMJEPSA-N 0 3 334.416 3.285 20 5 EGBDHN CCOc1cc(NC[C@H]2NCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000261626412 455915739 /nfs/dbraw/zinc/91/57/39/455915739.db2.gz GVKKLKKXYWMEQG-MRXNPFEDSA-N 0 3 327.384 3.292 20 5 EGBDHN Cc1cc(CN(C)C)cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000270400849 455946615 /nfs/dbraw/zinc/94/66/15/455946615.db2.gz WBVNNLAFPAZMGM-UHFFFAOYSA-N 0 3 327.384 3.146 20 5 EGBDHN CC(C)c1ccc(C(=O)N(C)[C@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000187768520 455949821 /nfs/dbraw/zinc/94/98/21/455949821.db2.gz UEDLWKPBLBSIJO-CJNGLKHVSA-N 0 3 333.432 3.130 20 5 EGBDHN Cc1ccnc(NC[C@H]2CCCN2Cc2ccccc2)c1[N+](=O)[O-] ZINC000301276731 456078081 /nfs/dbraw/zinc/07/80/81/456078081.db2.gz JBEQEDIGRSLIOR-MRXNPFEDSA-N 0 3 326.400 3.375 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000301445090 456118265 /nfs/dbraw/zinc/11/82/65/456118265.db2.gz QJTYKBDHXUSOSJ-KRWDZBQOSA-N 0 3 340.427 3.399 20 5 EGBDHN CCOc1ccc([C@@H](C)NC[C@H](O)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000271133995 456136547 /nfs/dbraw/zinc/13/65/47/456136547.db2.gz MMIUMVTXEAUMIJ-DOMZBBRYSA-N 0 3 334.372 3.279 20 5 EGBDHN CC(C)NC(=O)c1ccc(N[C@@H](C)CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000301530158 456139603 /nfs/dbraw/zinc/13/96/03/456139603.db2.gz PAKFYAPQVHYZIH-AWEZNQCLSA-N 0 3 348.447 3.019 20 5 EGBDHN C[C@@H]1CN(CCCCNc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301543644 456142405 /nfs/dbraw/zinc/14/24/05/456142405.db2.gz DESXHXNAMREPKY-BETUJISGSA-N 0 3 325.384 3.035 20 5 EGBDHN CC(C)(COCc1ccccc1)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281236779 456174824 /nfs/dbraw/zinc/17/48/24/456174824.db2.gz CSBBLZPHCTYHDR-GOSISDBHSA-N 0 3 344.411 3.213 20 5 EGBDHN C[C@H](N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N(C)C ZINC000188992425 456192238 /nfs/dbraw/zinc/19/22/38/456192238.db2.gz HPFGQFMYNNIPGQ-RYUDHWBXSA-N 0 3 347.440 3.451 20 5 EGBDHN CC[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000273147485 456192966 /nfs/dbraw/zinc/19/29/66/456192966.db2.gz LFOXLOXDMNVHFY-CVEARBPZSA-N 0 3 330.384 3.075 20 5 EGBDHN C[C@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297590156 456259141 /nfs/dbraw/zinc/25/91/41/456259141.db2.gz MQDCEJFOUJUQAX-KBPBESRZSA-N 0 3 348.447 3.028 20 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O=[N+]([O-])c1ccccc1-c1nnc(CN(CC2CC2)CC2CC2)o1 ZINC000878249775 1299865572 /nfs/dbraw/zinc/86/55/72/1299865572.db2.gz WBFATEJHNWBDLW-UHFFFAOYSA-N 0 3 328.372 3.267 20 5 EGBDHN COc1cccc(C[C@@H]2CCCN2Cc2cccnc2[N+](=O)[O-])c1 ZINC000885960414 1303298531 /nfs/dbraw/zinc/29/85/31/1303298531.db2.gz KZMAHLJKTDNRCE-INIZCTEOSA-N 0 3 327.384 3.206 20 5 EGBDHN CC(C)(NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000886898289 1303624657 /nfs/dbraw/zinc/62/46/57/1303624657.db2.gz XMKUVHLKFOVXPU-MRXNPFEDSA-N 0 3 336.338 3.431 20 5 EGBDHN COc1ccc(CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000776574032 1304173439 /nfs/dbraw/zinc/17/34/39/1304173439.db2.gz AMYVVBJUKBCGSH-LJQANCHMSA-N 0 3 342.395 3.301 20 5 EGBDHN Cc1cccnc1[C@@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776592329 1304177611 /nfs/dbraw/zinc/17/76/11/1304177611.db2.gz LCODBRAAZWKSGD-SJORKVTESA-N 0 3 329.400 3.319 20 5 EGBDHN C[C@](O)(CNCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000893266471 1305794088 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O=[N+]([O-])c1cccc(CN(CCCO)[C@@H]2CCc3ccccc32)c1 ZINC000114469739 162233535 /nfs/dbraw/zinc/23/35/35/162233535.db2.gz KQNJYDGFZSXKSH-LJQANCHMSA-N 0 3 326.396 3.467 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3C[C@H]4OCCC[C@@H]34)cs2)c1 ZINC000249194433 163060802 /nfs/dbraw/zinc/06/08/02/163060802.db2.gz ASUQWYPUUDLFNU-ARFHVFGLSA-N 0 3 345.424 3.375 20 5 EGBDHN C[C@@H]1Cc2ccccc2CN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000337210735 163164169 /nfs/dbraw/zinc/16/41/69/163164169.db2.gz CVKZDRLGNORMCY-CQSZACIVSA-N 0 3 339.395 3.370 20 5 EGBDHN CCCN1CCC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000343916560 164064972 /nfs/dbraw/zinc/06/49/72/164064972.db2.gz QFAXGEACDZHCGU-NSHDSACASA-N 0 3 343.225 3.039 20 5 EGBDHN COc1ccc(-c2ccc(CNCC[C@@H](O)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000344451011 164181710 /nfs/dbraw/zinc/18/17/10/164181710.db2.gz BOGLXRPJZKZNSV-QGZVFWFLSA-N 0 3 348.399 3.360 20 5 EGBDHN C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@H]1C ZINC000345993691 164312585 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O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](c3ccccc3F)C2)c1 ZINC000269659418 266336448 /nfs/dbraw/zinc/33/64/48/266336448.db2.gz PQMXBTMMTSPYDB-KSSFIOAISA-N 0 3 330.359 3.257 20 5 EGBDHN COc1ccc(C)cc1[C@@H](C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269675838 266339029 /nfs/dbraw/zinc/33/90/29/266339029.db2.gz CCJPDZJAIZKFEP-DYVFJYSZSA-N 0 3 330.384 3.296 20 5 EGBDHN CC(C)[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271452774 266665087 /nfs/dbraw/zinc/66/50/87/266665087.db2.gz FBSIVBOQCGVVFL-SWLSCSKDSA-N 0 3 344.358 3.489 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C2(C)OCCO2)CC1 ZINC000272432203 266842081 /nfs/dbraw/zinc/84/20/81/266842081.db2.gz HTWBFNNGECUNQJ-AWEZNQCLSA-N 0 3 334.416 3.439 20 5 EGBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C)N1C ZINC000338793287 274363973 /nfs/dbraw/zinc/36/39/73/274363973.db2.gz KEINWAPMDQTVDO-OKILXGFUSA-N 0 3 326.400 3.186 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000172824226 275197633 /nfs/dbraw/zinc/19/76/33/275197633.db2.gz PEAWPKMBSIJWLS-MRXNPFEDSA-N 0 3 343.431 3.196 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1cccc(-n3cncn3)c1)CCC2 ZINC000278882052 275283949 /nfs/dbraw/zinc/28/39/49/275283949.db2.gz YAJSNFBZIYGVPM-LJQANCHMSA-N 0 3 349.394 3.343 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1cccc(-n3cncn3)c1)CCC2 ZINC000278882048 275283984 /nfs/dbraw/zinc/28/39/84/275283984.db2.gz YAJSNFBZIYGVPM-IBGZPJMESA-N 0 3 349.394 3.343 20 5 EGBDHN C[S@@](=O)C1(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000281194022 275529124 /nfs/dbraw/zinc/52/91/24/275529124.db2.gz XURCKFOQOZAYIJ-IQMFZBJNSA-N 0 3 336.457 3.208 20 5 EGBDHN CCOc1ccc([C@H](C)NCCc2cccnc2OC)cc1[N+](=O)[O-] ZINC000290043350 276439000 /nfs/dbraw/zinc/43/90/00/276439000.db2.gz DQKZGJRFJQDHLY-ZDUSSCGKSA-N 0 3 345.399 3.290 20 5 EGBDHN C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178654976 279511306 /nfs/dbraw/zinc/51/13/06/279511306.db2.gz DHPLYQBJXKDEON-GXTWGEPZSA-N 0 3 335.404 3.255 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000055308534 307340157 /nfs/dbraw/zinc/34/01/57/307340157.db2.gz JKFFZUTVRCBVDJ-UHFFFAOYSA-N 0 3 343.383 3.064 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@@H](O)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000294394613 308217338 /nfs/dbraw/zinc/21/73/38/308217338.db2.gz CEBKPTHRHGUKRW-DYVFJYSZSA-N 0 3 332.375 3.297 20 5 EGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295079371 308289022 /nfs/dbraw/zinc/28/90/22/308289022.db2.gz BAFMRXGOAFGZJI-KBPBESRZSA-N 0 3 333.432 3.269 20 5 EGBDHN O=C1CCCN1[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000414551601 309088339 /nfs/dbraw/zinc/08/83/39/309088339.db2.gz OSBBMJXDRYTQAZ-KNYPUDEUSA-N 0 3 343.427 3.085 20 5 EGBDHN CC[C@@H](C)NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000296102292 308393714 /nfs/dbraw/zinc/39/37/14/308393714.db2.gz UIIOBHUPDOMMHI-SECBINFHSA-N 0 3 336.310 3.433 20 5 EGBDHN CCN(CC)[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)c1ccsc1 ZINC000296655177 308452535 /nfs/dbraw/zinc/45/25/35/308452535.db2.gz XUDQXSCIUOAYOO-CQSZACIVSA-N 0 3 335.433 3.250 20 5 EGBDHN C[C@H](NCCC(=O)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000296723910 308459990 /nfs/dbraw/zinc/45/99/90/308459990.db2.gz NGUFFSLXATVHDY-AWEZNQCLSA-N 0 3 339.395 3.225 20 5 EGBDHN CN(C)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000301745720 308713694 /nfs/dbraw/zinc/71/36/94/308713694.db2.gz ONPLVBXVFURYHB-AWEZNQCLSA-N 0 3 334.807 3.228 20 5 EGBDHN CC(C)(C)Oc1cc(N2CC[C@H](N3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000301891292 308720278 /nfs/dbraw/zinc/72/02/78/308720278.db2.gz LYHOQFBYYSQUDV-HNNXBMFYSA-N 0 3 331.416 3.223 20 5 EGBDHN CCN1CCN(c2cccc(Nc3cc(C)c([N+](=O)[O-])cn3)c2)CC1 ZINC000302231968 308734460 /nfs/dbraw/zinc/73/44/60/308734460.db2.gz CHOFHWFVYKKOIE-UHFFFAOYSA-N 0 3 341.415 3.184 20 5 EGBDHN Cc1cc(NCC2(N(C)C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000397951811 308904941 /nfs/dbraw/zinc/90/49/41/308904941.db2.gz AQIZCUTVAVFJIP-UHFFFAOYSA-N 0 3 328.210 3.172 20 5 EGBDHN C[C@@H](c1ccccc1)N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413064236 309014196 /nfs/dbraw/zinc/01/41/96/309014196.db2.gz BTJXNAYJMFEKKE-JSGCOSHPSA-N 0 3 330.363 3.376 20 5 EGBDHN O=[N+]([O-])c1cnc(N2CC[C@@H](N3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000413145303 309018047 /nfs/dbraw/zinc/01/80/47/309018047.db2.gz ZLSOBRSXZNEBGX-LLVKDONJSA-N 0 3 344.337 3.073 20 5 EGBDHN COc1ccc(NC(=O)C[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000416204051 309163600 /nfs/dbraw/zinc/16/36/00/309163600.db2.gz MXVJYGFADZWFRX-HNNXBMFYSA-N 0 3 343.383 3.235 20 5 EGBDHN Cc1c([C@H](C)NCC(C)(C)C2(O)CCOCC2)cccc1[N+](=O)[O-] ZINC000417384953 309203898 /nfs/dbraw/zinc/20/38/98/309203898.db2.gz QREAJHIOABFUPF-AWEZNQCLSA-N 0 3 336.432 3.122 20 5 EGBDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(CN)nc2C)cc1[N+](=O)[O-] ZINC000422923737 309376478 /nfs/dbraw/zinc/37/64/78/309376478.db2.gz WWAAXYUPHALIHW-CHWSQXEVSA-N 0 3 328.416 3.477 20 5 EGBDHN Cc1ccc([C@@H](C)NC(=O)[C@H](N)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000423270154 309393405 /nfs/dbraw/zinc/39/34/05/309393405.db2.gz GFKKMASBANABLN-CZUORRHYSA-N 0 3 333.432 3.378 20 5 EGBDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000428898583 309563866 /nfs/dbraw/zinc/56/38/66/309563866.db2.gz VQZGQVHLAXKYBL-KRWDZBQOSA-N 0 3 345.374 3.287 20 5 EGBDHN C[C@@H](N[C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000433037423 309676261 /nfs/dbraw/zinc/67/62/61/309676261.db2.gz FEJJGCUQHSYUCS-QWHCGFSZSA-N 0 3 343.383 3.368 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@H]3CC[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000449425076 310060879 /nfs/dbraw/zinc/06/08/79/310060879.db2.gz GPZSWNHATXJMCE-OLZOCXBDSA-N 0 3 346.383 3.114 20 5 EGBDHN COc1cc(CNC[C@H]2CCCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000449499036 310067019 /nfs/dbraw/zinc/06/70/19/310067019.db2.gz SMTMJIQHNKHXGW-LLVKDONJSA-N 0 3 330.331 3.137 20 5 EGBDHN COc1cc(CNC[C@@H]2CCCC2(F)F)c([N+](=O)[O-])cc1OC ZINC000449499037 310067047 /nfs/dbraw/zinc/06/70/47/310067047.db2.gz SMTMJIQHNKHXGW-NSHDSACASA-N 0 3 330.331 3.137 20 5 EGBDHN CCN1C[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1=O ZINC000449515872 310068630 /nfs/dbraw/zinc/06/86/30/310068630.db2.gz BZKAPEHYGTYXQD-CYBMUJFWSA-N 0 3 345.424 3.034 20 5 EGBDHN C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CCN(C2CC2)C1 ZINC000450548788 310129556 /nfs/dbraw/zinc/12/95/56/310129556.db2.gz UJRITPNOUFIDQD-ZDUSSCGKSA-N 0 3 326.400 3.064 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451505208 310181589 /nfs/dbraw/zinc/18/15/89/310181589.db2.gz SPFBPVFUBKZQJD-KBAYOESNSA-N 0 3 346.427 3.429 20 5 EGBDHN COc1cc(CN[C@H](C(C)C)[C@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000451591426 310188195 /nfs/dbraw/zinc/18/81/95/310188195.db2.gz DPGKITKGFJXKPZ-CXAGYDPISA-N 0 3 342.411 3.121 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451698553 310193106 /nfs/dbraw/zinc/19/31/06/310193106.db2.gz CSZFIBGYGQWYFD-IIDMSEBBSA-N 0 3 348.443 3.365 20 5 EGBDHN CCOc1cccc(CN(CCO)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000452049628 310209425 /nfs/dbraw/zinc/20/94/25/310209425.db2.gz SPDUJBPZSOCIFP-UHFFFAOYSA-N 0 3 344.411 3.031 20 5 EGBDHN COc1ccc2c(c1)C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CO2 ZINC000453235571 310265835 /nfs/dbraw/zinc/26/58/35/310265835.db2.gz XZDLODTZIFFZBJ-SWLSCSKDSA-N 0 3 328.368 3.258 20 5 EGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000453295242 310269447 /nfs/dbraw/zinc/26/94/47/310269447.db2.gz XUUJPLVKSZVAOW-CABCVRRESA-N 0 3 347.459 3.139 20 5 EGBDHN C[C@H](NC(=O)NCCN1[C@@H](C)CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454473403 310311605 /nfs/dbraw/zinc/31/16/05/310311605.db2.gz CHOGUEDWKSVKSI-KKUMJFAQSA-N 0 3 348.447 3.218 20 5 EGBDHN C[C@H](NC(=O)C1CN(C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000457810924 310473497 /nfs/dbraw/zinc/47/34/97/310473497.db2.gz HVLVTEKIHOTDKA-ZDUSSCGKSA-N 0 3 331.416 3.037 20 5 EGBDHN Cc1cc(NC2CCN(CCOC(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000461967287 310594099 /nfs/dbraw/zinc/59/40/99/310594099.db2.gz QLGHMHBCSKNIEL-UHFFFAOYSA-N 0 3 339.411 3.344 20 5 EGBDHN Cc1ccc(CCC2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000478426602 310858900 /nfs/dbraw/zinc/85/89/00/310858900.db2.gz FOTXHCQEZLCRCC-UHFFFAOYSA-N 0 3 342.443 3.445 20 5 EGBDHN CSc1ccccc1CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488710588 311075798 /nfs/dbraw/zinc/07/57/98/311075798.db2.gz FVMAVWPFDNLDNI-UHFFFAOYSA-N 0 3 332.429 3.350 20 5 EGBDHN C[C@H](CNC(=O)OC(C)(C)C)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000495424373 311562552 /nfs/dbraw/zinc/56/25/52/311562552.db2.gz LMOGNHQXCQZWED-FNOHHLHBSA-N 0 3 335.404 3.111 20 5 EGBDHN COC(=O)[C@]1(C)CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000504559718 312008262 /nfs/dbraw/zinc/00/82/62/312008262.db2.gz BRJBJXSSGDFGRA-FZKQIMNGSA-N 0 3 334.416 3.349 20 5 EGBDHN Cc1ccc(C[C@H](CO)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1C ZINC000514799736 312246428 /nfs/dbraw/zinc/24/64/28/312246428.db2.gz XRUKPYTXYOPADS-VQIMIIECSA-N 0 3 340.423 3.392 20 5 EGBDHN C[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1[C@H](C)CC[C@H]1C ZINC000515430653 312282551 /nfs/dbraw/zinc/28/25/51/312282551.db2.gz GGJFLAQTCXWUNY-KFWWJZLASA-N 0 3 345.443 3.347 20 5 EGBDHN COc1cc(CN[C@@H]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519669763 312469397 /nfs/dbraw/zinc/46/93/97/312469397.db2.gz MDLDRFALFZDXNR-GHMZBOCLSA-N 0 3 348.321 3.228 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@@H](O)COc1ccccc1 ZINC000527038636 312820212 /nfs/dbraw/zinc/82/02/12/312820212.db2.gz LFUNKOMXAOOPII-QWSHFYNQSA-N 0 3 342.395 3.028 20 5 EGBDHN COc1nc2ccccc2cc1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000535721469 314063286 /nfs/dbraw/zinc/06/32/86/314063286.db2.gz VQXKHISZJSGMRX-UHFFFAOYSA-N 0 3 337.379 3.484 20 5 EGBDHN C[C@@H](NCCCn1c2ccccc2[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000538179344 314230998 /nfs/dbraw/zinc/23/09/98/314230998.db2.gz GQHXSEWWVOEATA-CYBMUJFWSA-N 0 3 340.383 3.391 20 5 EGBDHN Cc1cccc(C)c1[C@@H](C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546932995 314866711 /nfs/dbraw/zinc/86/67/11/314866711.db2.gz WETNYSQXMXGPPS-CVEARBPZSA-N 0 3 344.411 3.302 20 5 EGBDHN COCCN1CC[C@@H](Nc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000549489484 315094234 /nfs/dbraw/zinc/09/42/34/315094234.db2.gz ASOFNADZJWSMLB-LLVKDONJSA-N 0 3 347.337 3.055 20 5 EGBDHN C[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cn1cccn1 ZINC000549550478 315096324 /nfs/dbraw/zinc/09/63/24/315096324.db2.gz IQFNDWGFXAMPFC-CQSZACIVSA-N 0 3 340.383 3.477 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCN1CCc2ccccc2C1 ZINC000563417948 316018547 /nfs/dbraw/zinc/01/85/47/316018547.db2.gz NCIZPVUAHKQUDN-LJQANCHMSA-N 0 3 337.423 3.230 20 5 EGBDHN Cc1ccccc1C[C@@H](CO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000570744653 317101140 /nfs/dbraw/zinc/10/11/40/317101140.db2.gz NTDIFHUYFBUITE-RDJZCZTQSA-N 0 3 328.412 3.466 20 5 EGBDHN Cc1c([C@@H](C)NCCCN(C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000156383801 455111879 /nfs/dbraw/zinc/11/18/79/455111879.db2.gz RMNOIQKLCZJZEA-GFCCVEGCSA-N 0 3 333.354 3.438 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](CC(C)C)N(C)C ZINC000179566287 323392849 /nfs/dbraw/zinc/39/28/49/323392849.db2.gz XWPGILHQOCXBLL-OAHLLOKOSA-N 0 3 335.448 3.226 20 5 EGBDHN CC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000182177617 323530789 /nfs/dbraw/zinc/53/07/89/323530789.db2.gz HGEHSZMUGAIOTH-IRXDYDNUSA-N 0 3 344.411 3.384 20 5 EGBDHN CCC(CC)Nc1ccncc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000578100252 324916923 /nfs/dbraw/zinc/91/69/23/324916923.db2.gz DTHBCZRIPGUXEX-UHFFFAOYSA-N 0 3 342.399 3.193 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCC[C@@H]2CCO)o1 ZINC000189941284 455257466 /nfs/dbraw/zinc/25/74/66/455257466.db2.gz AMTQOOAEOLSWJW-CJNGLKHVSA-N 0 3 330.384 3.496 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCCN(Cc2ccccn2)C2CC2)cc1 ZINC000180873945 455259565 /nfs/dbraw/zinc/25/95/65/455259565.db2.gz ZYNBZOIBRCLTFW-UHFFFAOYSA-N 0 3 327.384 3.423 20 5 EGBDHN CC(=O)Nc1cccc(OCCN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173383292 455276336 /nfs/dbraw/zinc/27/63/36/455276336.db2.gz RHVAAZMDUMMNQF-CYBMUJFWSA-N 0 3 343.383 3.283 20 5 EGBDHN COc1ccc([C@H](CNc2ncccc2[N+](=O)[O-])N2CCCC2)cc1 ZINC000015168829 453560876 /nfs/dbraw/zinc/56/08/76/453560876.db2.gz CDKLFXWDWWPSEN-KRWDZBQOSA-N 0 3 342.399 3.247 20 5 EGBDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000023738335 453716548 /nfs/dbraw/zinc/71/65/48/453716548.db2.gz JRQBGIGUAGWAJJ-SFHVURJKSA-N 0 3 339.395 3.162 20 5 EGBDHN C[C@@H](C1CC1)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000031654245 453851011 /nfs/dbraw/zinc/85/10/11/453851011.db2.gz RMIKUEWVSIPDSP-JTQLQIEISA-N 0 3 337.807 3.450 20 5 EGBDHN Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2C)N(C)C)cc1 ZINC000067266893 453915848 /nfs/dbraw/zinc/91/58/48/453915848.db2.gz BUEPQWBXGHXNKZ-SFHVURJKSA-N 0 3 341.411 3.244 20 5 EGBDHN CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000075899694 453937385 /nfs/dbraw/zinc/93/73/85/453937385.db2.gz RQYFVUYPYKKUAY-SFHVURJKSA-N 0 3 330.384 3.029 20 5 EGBDHN O=C(Cc1ccccc1[N+](=O)[O-])Nc1cccc(CN2CCCC2)c1 ZINC000040512032 453951515 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COc1ccc(C[C@H](C)NCc2ccccc2[N+](=O)[O-])cc1OC ZINC000120078763 454256019 /nfs/dbraw/zinc/25/60/19/454256019.db2.gz DRVOWOGNJPEFLW-ZDUSSCGKSA-N 0 3 330.384 3.333 20 5 EGBDHN Cc1cccc(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000182086101 455432280 /nfs/dbraw/zinc/43/22/80/455432280.db2.gz NTDQHGYGZDFXRO-HNNXBMFYSA-N 0 3 341.411 3.154 20 5 EGBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccsc1 ZINC000046940395 454304844 /nfs/dbraw/zinc/30/48/44/454304844.db2.gz CQZPWCYEBXTSHG-GFCCVEGCSA-N 0 3 337.401 3.062 20 5 EGBDHN COc1ccc(CNC2CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000061003414 454324007 /nfs/dbraw/zinc/32/40/07/454324007.db2.gz JYIBZYGYIWCXNT-UHFFFAOYSA-N 0 3 328.368 3.434 20 5 EGBDHN COc1cccc([C@H](CNc2cc(C)c([N+](=O)[O-])cn2)N(C)C)c1 ZINC000073000201 454379673 /nfs/dbraw/zinc/37/96/73/454379673.db2.gz LUJLZOLYKBPIMR-INIZCTEOSA-N 0 3 330.388 3.022 20 5 EGBDHN CCN(CC)[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)c1ccsc1 ZINC000079900297 454496059 /nfs/dbraw/zinc/49/60/59/454496059.db2.gz GYQQKLAIFQTBTQ-ZDUSSCGKSA-N 0 3 337.449 3.193 20 5 EGBDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092730684 454617391 /nfs/dbraw/zinc/61/73/91/454617391.db2.gz OGVNOEVOAWXODF-NVXWUHKLSA-N 0 3 347.459 3.420 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000162471838 454778004 /nfs/dbraw/zinc/77/80/04/454778004.db2.gz MOLARRSVJLJTSM-QGZVFWFLSA-N 0 3 342.399 3.328 20 5 EGBDHN CCC[C@@H](NCCN1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000163692985 454861255 /nfs/dbraw/zinc/86/12/55/454861255.db2.gz XBRVWDNTNPZFTD-GOSISDBHSA-N 0 3 335.448 3.136 20 5 EGBDHN Cc1c(CN2CCC(OC[C@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000177581658 454880175 /nfs/dbraw/zinc/88/01/75/454880175.db2.gz JNKNLRSQTXXTJQ-GOSISDBHSA-N 0 3 348.443 3.453 20 5 EGBDHN Cc1c(CN2CCC(OC[C@@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000177581642 454880206 /nfs/dbraw/zinc/88/02/06/454880206.db2.gz JNKNLRSQTXXTJQ-SFHVURJKSA-N 0 3 348.443 3.453 20 5 EGBDHN CCC1(CC)[C@@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1OC ZINC000191384440 455482293 /nfs/dbraw/zinc/48/22/93/455482293.db2.gz JAJVAXFTYAHNCW-HOTGVXAUSA-N 0 3 349.431 3.025 20 5 EGBDHN C[C@@H]1C[C@@H](N(C)c2ncccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000150875418 454906271 /nfs/dbraw/zinc/90/62/71/454906271.db2.gz JEGNWJXQZKLCSR-WBVHZDCISA-N 0 3 340.427 3.479 20 5 EGBDHN C[C@H](N[C@@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168111292 454925239 /nfs/dbraw/zinc/92/52/39/454925239.db2.gz KDMLMJUCCRBEKC-GXTWGEPZSA-N 0 3 330.363 3.058 20 5 EGBDHN CC[C@H](N[C@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168198539 454925991 /nfs/dbraw/zinc/92/59/91/454925991.db2.gz KHKDWWCGXWFYAF-YOEHRIQHSA-N 0 3 344.390 3.449 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000127872639 455005494 /nfs/dbraw/zinc/00/54/94/455005494.db2.gz FNSUUDFJHAMQKN-GXTWGEPZSA-N 0 3 348.447 3.454 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000128106785 455026289 /nfs/dbraw/zinc/02/62/89/455026289.db2.gz RQLRDSRZOVDWBH-KRWDZBQOSA-N 0 3 340.427 3.257 20 5 EGBDHN Cc1cc(NCC2CCN(c3ccncc3)CC2)ncc1[N+](=O)[O-] ZINC000180043749 455121862 /nfs/dbraw/zinc/12/18/62/455121862.db2.gz ZNXGWVPUPXJXII-UHFFFAOYSA-N 0 3 327.388 3.022 20 5 EGBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCC[C@@H]1O ZINC000180530731 455190385 /nfs/dbraw/zinc/19/03/85/455190385.db2.gz GOPHDWWIMWALMF-YOEHRIQHSA-N 0 3 330.384 3.448 20 5 EGBDHN Cn1cc(CNCc2ccsc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237667715 455205599 /nfs/dbraw/zinc/20/55/99/455205599.db2.gz ADTVUGHQIVRKCV-UHFFFAOYSA-N 0 3 328.397 3.347 20 5 EGBDHN CCC[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000182178055 455453440 /nfs/dbraw/zinc/45/34/40/455453440.db2.gz KRXORWYVDMDTML-IAGOWNOFSA-N 0 3 344.411 3.466 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCC3(CO)CCCC3)o2)cc1 ZINC000185803631 455625298 /nfs/dbraw/zinc/62/52/98/455625298.db2.gz LWLACPDYXDETOJ-UHFFFAOYSA-N 0 3 330.384 3.497 20 5 EGBDHN CN(C)C(=O)C1(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000192861350 455708345 /nfs/dbraw/zinc/70/83/45/455708345.db2.gz LXLAUKJOHISUKI-KRWDZBQOSA-N 0 3 345.443 3.210 20 5 EGBDHN Cc1cccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000187185733 455878853 /nfs/dbraw/zinc/87/88/53/455878853.db2.gz BVGUPXZKDJLUFQ-KSSFIOAISA-N 0 3 341.411 3.324 20 5 EGBDHN O=[N+]([O-])c1cc2c(ncnc2N2CCN(C3CCCCC3)CC2)s1 ZINC000286052082 455967914 /nfs/dbraw/zinc/96/79/14/455967914.db2.gz AYFKXLQIYMCZEF-UHFFFAOYSA-N 0 3 347.444 3.054 20 5 EGBDHN COc1ccc([C@H](CN2CCCC2)Nc2ncccc2[N+](=O)[O-])cc1 ZINC000272721061 456052172 /nfs/dbraw/zinc/05/21/72/456052172.db2.gz FFGZAGOQVCRYRH-INIZCTEOSA-N 0 3 342.399 3.247 20 5 EGBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000301268216 456077037 /nfs/dbraw/zinc/07/70/37/456077037.db2.gz IRFGRSQIPQXMRX-ZDUSSCGKSA-N 0 3 334.807 3.228 20 5 EGBDHN COc1cc(C(=O)Nc2cccc(CN(C)C)c2)cc([N+](=O)[O-])c1C ZINC000188530683 456080409 /nfs/dbraw/zinc/08/04/09/456080409.db2.gz ZJWQGTNJYPUEMB-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN Cc1cc(N2CCN(Cc3ccccc3)C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000301428419 456113502 /nfs/dbraw/zinc/11/35/02/456113502.db2.gz IMQJXDSYZMUFSV-UHFFFAOYSA-N 0 3 340.427 3.399 20 5 EGBDHN C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCC1(F)F ZINC000289899492 456173440 /nfs/dbraw/zinc/17/34/40/456173440.db2.gz SIUZISGRUWUQIA-SNVBAGLBSA-N 0 3 345.321 3.040 20 5 EGBDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297359189 456197836 /nfs/dbraw/zinc/19/78/36/456197836.db2.gz BZAUWNGIKNKJBT-BBRMVZONSA-N 0 3 341.415 3.016 20 5 EGBDHN C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCC[C@@H]1C ZINC000343068189 456385268 /nfs/dbraw/zinc/38/52/68/456385268.db2.gz QUSGQHXIIDOIQX-QWHCGFSZSA-N 0 3 344.415 3.069 20 5 EGBDHN C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000298535086 456483765 /nfs/dbraw/zinc/48/37/65/456483765.db2.gz ZOUBVIRYNKDYMW-NWDGAFQWSA-N 0 3 339.823 3.098 20 5 EGBDHN C[C@]1(CO)CCC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304316162 456505499 /nfs/dbraw/zinc/50/54/99/456505499.db2.gz LFIKBDAGTGHGRB-NVXWUHKLSA-N 0 3 347.440 3.359 20 5 EGBDHN CC(=O)Nc1cccc(CN(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282474482 456526211 /nfs/dbraw/zinc/52/62/11/456526211.db2.gz OEKITAQRCMPHLM-UHFFFAOYSA-N 0 3 327.384 3.228 20 5 EGBDHN CC(C)N1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000340725882 456651836 /nfs/dbraw/zinc/65/18/36/456651836.db2.gz QSQWVTGOCJEPPD-UHFFFAOYSA-N 0 3 347.459 3.449 20 5 EGBDHN CC[C@@H](c1ccncc1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299501908 456713020 /nfs/dbraw/zinc/71/30/20/456713020.db2.gz BPQLBTHMGULANY-INIZCTEOSA-N 0 3 342.399 3.402 20 5 EGBDHN CO[C@]1(C)C[C@H](N[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000340855435 456722407 /nfs/dbraw/zinc/72/24/07/456722407.db2.gz XOWPAPBBZQRSEM-HNJNHCNJSA-N 0 3 349.431 3.023 20 5 EGBDHN C[C@@H](c1ccncc1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299557367 456728687 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EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000347367881 457379149 /nfs/dbraw/zinc/37/91/49/457379149.db2.gz NDDGUVKKIQWJOK-ILCZHQDMSA-N 0 3 346.427 3.268 20 5 EGBDHN Cc1cnc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000360864266 457390976 /nfs/dbraw/zinc/39/09/76/457390976.db2.gz LLEYOMRQDAVWOD-GDBMZVCRSA-N 0 3 326.400 3.231 20 5 EGBDHN CCN(Cc1ccccc1C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000357325103 457447445 /nfs/dbraw/zinc/44/74/45/457447445.db2.gz SNANTHKITLUBLH-GOSISDBHSA-N 0 3 344.411 3.165 20 5 EGBDHN CC[C@@H]1CN(CCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000433064725 457657631 /nfs/dbraw/zinc/65/76/31/457657631.db2.gz CEZRCZIESHBPPY-CRAIPNDOSA-N 0 3 347.459 3.018 20 5 EGBDHN CCCOc1cccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000425966053 457749137 /nfs/dbraw/zinc/74/91/37/457749137.db2.gz KJZVZYWZXJCWQN-UHFFFAOYSA-N 0 3 344.415 3.417 20 5 EGBDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000444675659 457935112 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Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)NCC(C)C)CC1 ZINC000778931824 1304510406 /nfs/dbraw/zinc/51/04/06/1304510406.db2.gz FHZQTLAKOXARQI-HNNXBMFYSA-N 0 3 347.459 3.448 20 5 EGBDHN O=C(CCN1CCc2ccsc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782523636 1304985536 /nfs/dbraw/zinc/98/55/36/1304985536.db2.gz CPTYBPTUESYNCR-UHFFFAOYSA-N 0 3 349.387 3.182 20 5 EGBDHN Cc1cc(NCC[C@@H](O)c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000782956514 1305030430 /nfs/dbraw/zinc/03/04/30/1305030430.db2.gz RJLCSXPAUARWQQ-LJQANCHMSA-N 0 3 337.379 3.409 20 5 EGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000790582240 1306356387 /nfs/dbraw/zinc/35/63/87/1306356387.db2.gz FRRCSOIXVFXZKC-AWEZNQCLSA-N 0 3 339.823 3.098 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCO[C@@H]3CCCCO3)o2)cc1 ZINC000894799618 1309078819 /nfs/dbraw/zinc/07/88/19/1309078819.db2.gz OLNABOLQHSNSCP-GOSISDBHSA-N 0 3 346.383 3.488 20 5 EGBDHN COCc1cc([N+](=O)[O-])ccc1N(C)CCCN(C)Cc1ccco1 ZINC000804841715 1317292333 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EGBDHN CC(COC(=O)c1cnn(C2CCCC2)c1-c1ccccc1)[N+](=O)[O-] ZINC000817739375 1319432748 /nfs/dbraw/zinc/43/27/48/1319432748.db2.gz LSIOHIAKIUCEHA-ZDUSSCGKSA-N 0 3 343.383 3.487 20 5 EGBDHN C[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000915600691 1319505573 /nfs/dbraw/zinc/50/55/73/1319505573.db2.gz WAUIGFAGDYEBLD-NWDGAFQWSA-N 0 3 339.823 3.241 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CC[C@H]3CC3(Cl)Cl)C2)nc1 ZINC000822750998 1320120728 /nfs/dbraw/zinc/12/07/28/1320120728.db2.gz SNMROAAYNQWQMW-QWRGUYRKSA-N 0 3 345.230 3.060 20 5 EGBDHN Cc1nn(CN2CC3(C[C@H]2C)CCOCC3)c2cc([N+](=O)[O-])ccc12 ZINC000842638605 1321411002 /nfs/dbraw/zinc/41/10/02/1321411002.db2.gz MSFYEAIVKAXOOY-CYBMUJFWSA-N 0 3 344.415 3.101 20 5 EGBDHN CC(C)c1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C ZINC000845872946 1321747038 /nfs/dbraw/zinc/74/70/38/1321747038.db2.gz AXLOTRVKXSMSGL-BZNIZROVSA-N 0 3 349.362 3.246 20 5 EGBDHN CC([C@H](OC(=O)COC1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845874958 1321748507 /nfs/dbraw/zinc/74/85/07/1321748507.db2.gz KJTKJMYYIHOOJK-ZBEGNZNMSA-N 0 3 325.336 3.034 20 5 EGBDHN CC([C@H](OC(=O)CCCC(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845882213 1321750323 /nfs/dbraw/zinc/75/03/23/1321750323.db2.gz NYKTXHCREGRXAH-GTNSWQLSSA-N 0 3 337.347 3.225 20 5 EGBDHN CC(COC(=O)C1(c2cccc(OC(F)(F)F)c2)CCC1)[N+](=O)[O-] ZINC000847714701 1321896084 /nfs/dbraw/zinc/89/60/84/1321896084.db2.gz YXPAUDJBTYLSFV-SNVBAGLBSA-N 0 3 347.289 3.215 20 5 EGBDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850354881 1322232017 /nfs/dbraw/zinc/23/20/17/1322232017.db2.gz BVSSMXILIFXDGX-FTFVXWMISA-N 0 3 330.837 3.028 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@](C)(O)c1cccs1 ZINC000850438772 1322249668 /nfs/dbraw/zinc/24/96/68/1322249668.db2.gz ZHWRTWKHIGRYBD-MEDUHNTESA-N 0 3 336.413 3.223 20 5 EGBDHN CC(COC(=O)c1ccccc1COCc1ccccc1)[N+](=O)[O-] ZINC000860776247 1329354250 /nfs/dbraw/zinc/35/42/50/1329354250.db2.gz CTZHICNNUTUBDA-AWEZNQCLSA-N 0 3 329.352 3.225 20 5 EGBDHN Cc1ccc(CN2CCC[C@](O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000862482509 1329490103 /nfs/dbraw/zinc/49/01/03/1329490103.db2.gz JBZVOVJHFWPFKT-LJQANCHMSA-N 0 3 326.396 3.387 20 5 EGBDHN COc1ccc(OCCN2CCC(CSC)CC2)c([N+](=O)[O-])c1 ZINC000932592340 1329825759 /nfs/dbraw/zinc/82/57/59/1329825759.db2.gz VJNQOACCFVRSLF-UHFFFAOYSA-N 0 3 340.445 3.057 20 5 EGBDHN O=C(CCN(Cc1ccoc1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000934004125 1329939788 /nfs/dbraw/zinc/93/97/88/1329939788.db2.gz JZPSZCNKXHIYOH-UHFFFAOYSA-N 0 3 329.356 3.181 20 5 EGBDHN O=C(N[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CC1)C1CC=CC1 ZINC001034612100 1342647803 /nfs/dbraw/zinc/64/78/03/1342647803.db2.gz IECXWDBDGQHJDL-SHTZXODSSA-N 0 3 349.456 3.140 20 5 EGBDHN CC(C)C(=O)N1CCC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001040612791 1345555537 /nfs/dbraw/zinc/55/55/37/1345555537.db2.gz JKSXEWUTDFNDQK-UHFFFAOYSA-N 0 3 345.443 3.065 20 5 EGBDHN CC/C=C(/C)C(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001199575896 1369239110 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O=[N+]([O-])c1ccc(C(F)(F)F)nc1OC1CCN(C2CC2)CC1 ZINC001227244405 1375412109 /nfs/dbraw/zinc/41/21/09/1375412109.db2.gz ZFBOARYTAAJRKT-UHFFFAOYSA-N 0 3 331.294 3.014 20 5 EGBDHN O=C1CC[C@@]2(CCCN(Cc3ccc4ccc5cccnc5c4n3)C2)O1 ZINC001232225843 1376419086 /nfs/dbraw/zinc/41/90/86/1376419086.db2.gz QEBZPSIRZGYQLQ-OAQYLSRUSA-N 0 3 347.418 3.455 20 5 EGBDHN CCN(CC)CCNC(=O)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153415680 1380073773 /nfs/dbraw/zinc/07/37/73/1380073773.db2.gz LTDXACOTLXEHII-UHFFFAOYSA-N 0 3 338.407 3.018 20 5 EGBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC001155572291 1380469902 /nfs/dbraw/zinc/46/99/02/1380469902.db2.gz CQTKMTMBHGNJBY-UHFFFAOYSA-N 0 3 333.432 3.161 20 5 EGBDHN CC(C)(CC(=O)NCCCNCc1csc([N+](=O)[O-])c1)C1CC1 ZINC001157525558 1380955747 /nfs/dbraw/zinc/95/57/47/1380955747.db2.gz HICVERCAHBSPSK-UHFFFAOYSA-N 0 3 339.461 3.079 20 5 EGBDHN COc1nc(C)c([N+](=O)[O-])c(NCCP(C(C)C)C(C)C)n1 ZINC001162358798 1382739825 /nfs/dbraw/zinc/73/98/25/1382739825.db2.gz TYHYLSWBCQWILO-UHFFFAOYSA-N 0 3 328.353 3.412 20 5 EGBDHN O=[N+]([O-])c1ccc2nc(N[C@H]3CNCc4ccsc43)ccc2c1 ZINC001163219619 1382995752 /nfs/dbraw/zinc/99/57/52/1382995752.db2.gz CFNUVZBBDLNWQT-AWEZNQCLSA-N 0 3 326.381 3.461 20 5 EGBDHN O=[N+]([O-])c1c(N[C@@H]2CNCc3ccsc32)ccc2ncccc21 ZINC001163228592 1382999244 /nfs/dbraw/zinc/99/92/44/1382999244.db2.gz LDQFMHNTGUUCPP-CQSZACIVSA-N 0 3 326.381 3.461 20 5 EGBDHN NCc1nn(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccccc12 ZINC001167698361 1383714636 /nfs/dbraw/zinc/71/46/36/1383714636.db2.gz ZGUVQQRJXHEFFT-UHFFFAOYSA-N 0 3 336.273 3.411 20 5 EGBDHN Cc1ccc(Cl)cc1N1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169007393 1384086201 /nfs/dbraw/zinc/08/62/01/1384086201.db2.gz NDHHDELWDRPJLH-GDBMZVCRSA-N 0 3 337.851 3.216 20 5 EGBDHN CN(Cc1ccccc1Br)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009097 1384087828 /nfs/dbraw/zinc/08/78/28/1384087828.db2.gz VLJVPYVPUCXBSR-YPMHNXCESA-N 0 3 327.222 3.326 20 5 EGBDHN COc1ccc(C[C@H](C)N(C)Cc2ccc(C)nc2)c([N+](=O)[O-])c1 ZINC001170351508 1384298095 /nfs/dbraw/zinc/29/80/95/1384298095.db2.gz CUZAPKYHFNOKCZ-AWEZNQCLSA-N 0 3 329.400 3.370 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccn(CC(F)(F)F)n1 ZINC001173223245 1384938925 /nfs/dbraw/zinc/93/89/25/1384938925.db2.gz HIMRCRPRLLXKDB-NSHDSACASA-N 0 3 342.321 3.074 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccccc2)CC1 ZINC001173222439 1384939051 /nfs/dbraw/zinc/93/90/51/1384939051.db2.gz RRGRCGCHSXPKOP-KRWDZBQOSA-N 0 3 339.439 3.344 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(Oc2cccnc2)CC1 ZINC001173227331 1384940226 /nfs/dbraw/zinc/94/02/26/1384940226.db2.gz PYELTPIFKOPNLN-HNNXBMFYSA-N 0 3 341.411 3.464 20 5 EGBDHN COc1ccccc1C1(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC001319927530 1386396641 /nfs/dbraw/zinc/39/66/41/1386396641.db2.gz ZRWWQVLNXCOLKV-QGZVFWFLSA-N 0 3 342.395 3.306 20 5 EGBDHN C[C@@]1(O)CCN(Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001320835751 1386732945 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EGBDHN CC[C@@H](NCCNC(=O)c1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000193911331 153313745 /nfs/dbraw/zinc/31/37/45/153313745.db2.gz USCOMIOTUQHDGE-GOSISDBHSA-N 0 3 341.411 3.374 20 5 EGBDHN COc1ccc(CN[C@@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000311011059 154145364 /nfs/dbraw/zinc/14/53/64/154145364.db2.gz LUNLYLZHFFQGIW-HNNXBMFYSA-N 0 3 343.427 3.214 20 5 EGBDHN C[C@@H]1[C@@H](NCc2csc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000336718282 154212271 /nfs/dbraw/zinc/21/22/71/154212271.db2.gz RKUQHGKJGJGGTA-CJNGLKHVSA-N 0 3 331.441 3.409 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000336787068 154212295 /nfs/dbraw/zinc/21/22/95/154212295.db2.gz DGIAGLZRZAQSAD-ZBFHGGJFSA-N 0 3 343.431 3.195 20 5 EGBDHN CN(C)CCN(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000349070288 156342827 /nfs/dbraw/zinc/34/28/27/156342827.db2.gz BGJSMRYFORTNKB-UHFFFAOYSA-N 0 3 331.391 3.298 20 5 EGBDHN COc1cc(NCCN(C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000362130615 157034664 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CCc1ccc([C@@H](CNc2c([N+](=O)[O-])c(C)nn2CC)N(C)C)cc1 ZINC000359375357 167139950 /nfs/dbraw/zinc/13/99/50/167139950.db2.gz ZJJTZJMGMKKLRV-MRXNPFEDSA-N 0 3 345.447 3.397 20 5 EGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccco1 ZINC000359569453 167196236 /nfs/dbraw/zinc/19/62/36/167196236.db2.gz YOSMXXPZSKQFSD-UKRRQHHQSA-N 0 3 345.399 3.355 20 5 EGBDHN CC[C@H](NCc1cccc(-n2cncn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000366218726 168095776 /nfs/dbraw/zinc/09/57/76/168095776.db2.gz MJXHSTWUMLNSMP-SFHVURJKSA-N 0 3 337.383 3.416 20 5 EGBDHN Cc1cc(C(=O)Nc2ccc(OCCN(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000122084007 222011815 /nfs/dbraw/zinc/01/18/15/222011815.db2.gz WNBYBFNDTJWHML-UHFFFAOYSA-N 0 3 343.383 3.096 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C2CCCCC2)CC1 ZINC000151528127 264778379 /nfs/dbraw/zinc/77/83/79/264778379.db2.gz PPXUQTFNXIVERL-UHFFFAOYSA-N 0 3 346.431 3.385 20 5 EGBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H](N2CCCCC2)C1 ZINC000278461737 268018469 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EGBDHN O=[N+]([O-])c1cnn(CCN[C@H](c2ccc(F)cc2)C2CCCC2)c1 ZINC000091399920 307463141 /nfs/dbraw/zinc/46/31/41/307463141.db2.gz YTOCQLNQQIFMFU-KRWDZBQOSA-N 0 3 332.379 3.452 20 5 EGBDHN Cc1ccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nc1C ZINC000414161582 309064203 /nfs/dbraw/zinc/06/42/03/309064203.db2.gz FRWAANCTQDLPCF-CVEARBPZSA-N 0 3 329.404 3.077 20 5 EGBDHN CCOc1ncccc1CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151176840 307729332 /nfs/dbraw/zinc/72/93/32/307729332.db2.gz UFLHKKZEGMVPFE-QGZVFWFLSA-N 0 3 341.411 3.499 20 5 EGBDHN COc1cccc(COCCN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000152080673 307745470 /nfs/dbraw/zinc/74/54/70/307745470.db2.gz VCZOAROZGQGXLU-CQSZACIVSA-N 0 3 330.384 3.471 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCCN(C)CC(F)(F)F ZINC000156383362 307832054 /nfs/dbraw/zinc/83/20/54/307832054.db2.gz SVDMQWXMNVJKLH-LBPRGKRZSA-N 0 3 333.354 3.438 20 5 EGBDHN CC(C)CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000255864103 308060743 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EGBDHN Cc1cc(Cl)c(C(=O)NCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000294908314 308270561 /nfs/dbraw/zinc/27/05/61/308270561.db2.gz SCPSTAZZEHZSDX-UHFFFAOYSA-N 0 3 339.823 3.018 20 5 EGBDHN C[C@H]1CC(C)(C)C[C@@](CO)(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332235627 308831331 /nfs/dbraw/zinc/83/13/31/308831331.db2.gz PXTMFFBJSSMGIA-SGTLLEGYSA-N 0 3 346.431 3.138 20 5 EGBDHN O=[N+]([O-])c1cnc(NC2CCN(C3CC3)CC2)c(C(F)(F)F)c1 ZINC000413040984 309013059 /nfs/dbraw/zinc/01/30/59/309013059.db2.gz KGOPKUQWIDDXBL-UHFFFAOYSA-N 0 3 330.310 3.047 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000413154278 309018588 /nfs/dbraw/zinc/01/85/88/309018588.db2.gz NHAOHVKHDMQFQN-CQSZACIVSA-N 0 3 344.390 3.230 20 5 EGBDHN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C(C)(C)CN1CCCC1 ZINC000416112384 309159092 /nfs/dbraw/zinc/15/90/92/309159092.db2.gz WUDGCVFOZRGIFY-UHFFFAOYSA-N 0 3 339.823 3.195 20 5 EGBDHN CCC[C@H](N[C@@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417381045 309203762 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EGBDHN O=[N+]([O-])c1ccc(-c2csc(NC3CCN(C4CC4)CC3)n2)cc1 ZINC000450227960 310109666 /nfs/dbraw/zinc/10/96/66/310109666.db2.gz ANHXQWGJMFCQFE-UHFFFAOYSA-N 0 3 344.440 3.179 20 5 EGBDHN CCOc1cc(CN[C@H]2C[C@H](OCC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451483372 310180675 /nfs/dbraw/zinc/18/06/75/310180675.db2.gz VNGUVXLRTUTUJD-IRXDYDNUSA-N 0 3 334.416 3.431 20 5 EGBDHN C[C@@H]1C[C@@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2nccn21 ZINC000453335970 310271639 /nfs/dbraw/zinc/27/16/39/310271639.db2.gz FEVCNOSZGIXPQE-DAXOMENPSA-N 0 3 326.400 3.408 20 5 EGBDHN CCO[C@@H]1C[C@H](NC/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000468616172 310691170 /nfs/dbraw/zinc/69/11/70/310691170.db2.gz BDPBDJXTCZMQSW-JRXSBMDESA-N 0 3 346.427 3.314 20 5 EGBDHN Cc1nc(N(CCCc2ccccc2)CCN(C)C)ccc1[N+](=O)[O-] ZINC000471056288 310733445 /nfs/dbraw/zinc/73/34/45/310733445.db2.gz NWNWZAZARCKTPS-UHFFFAOYSA-N 0 3 342.443 3.299 20 5 EGBDHN COC(=O)N1CCC([C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000492200791 311225870 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CCCN(CCN1CCCCC1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000568494674 316782179 /nfs/dbraw/zinc/78/21/79/316782179.db2.gz YIUJLXBCXPUATA-MRXNPFEDSA-N 0 3 347.459 3.423 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H]2CCCc3sccc32)c1 ZINC000572632784 317367160 /nfs/dbraw/zinc/36/71/60/317367160.db2.gz SEULDGPWYJZGKZ-BBRMVZONSA-N 0 3 348.424 3.063 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@@H]2CCCc3sccc32)c1 ZINC000572632786 317367500 /nfs/dbraw/zinc/36/75/00/317367500.db2.gz SEULDGPWYJZGKZ-CZUORRHYSA-N 0 3 348.424 3.063 20 5 EGBDHN Cc1c(CN[C@H](C)c2ccc(-n3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000181901748 323512073 /nfs/dbraw/zinc/51/20/73/323512073.db2.gz GOHRZBSKSWFBDR-CQSZACIVSA-N 0 3 337.383 3.335 20 5 EGBDHN CO[C@H](c1ccccc1)[C@@H](C)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000579065587 325054965 /nfs/dbraw/zinc/05/49/65/325054965.db2.gz AEMVOCYNXLSVJF-KDOFPFPSSA-N 0 3 330.384 3.339 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1[C@H]1CCCOC1 ZINC000579118574 325065747 /nfs/dbraw/zinc/06/57/47/325065747.db2.gz CYLPPULIODJJBT-WMLDXEAASA-N 0 3 334.416 3.385 20 5 EGBDHN COc1ccc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c(F)c1 ZINC000581290193 325348975 /nfs/dbraw/zinc/34/89/75/325348975.db2.gz KMIOEBAMLZUJDL-HZPDHXFCSA-N 0 3 348.378 3.213 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000581914021 325398058 /nfs/dbraw/zinc/39/80/58/325398058.db2.gz KTEZSKIVXOKWHW-ZIAGYGMSSA-N 0 3 348.447 3.399 20 5 EGBDHN O=[N+]([O-])c1cccc(CN2CCCN(Cc3ccccc3)CC2)c1 ZINC000009987159 453269764 /nfs/dbraw/zinc/26/97/64/453269764.db2.gz GDPXLLFWBDISDC-UHFFFAOYSA-N 0 3 325.412 3.303 20 5 EGBDHN CCn1ccc(CN(C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)c1 ZINC000616786388 460619206 /nfs/dbraw/zinc/61/92/06/460619206.db2.gz XVOLKPJOZUJTRO-UHFFFAOYSA-N 0 3 344.415 3.185 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccccc1 ZINC000026157332 453793198 /nfs/dbraw/zinc/79/31/98/453793198.db2.gz GJXPBAPBASSHNE-UHFFFAOYSA-N 0 3 327.384 3.364 20 5 EGBDHN C[C@@H](c1cccs1)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000032490225 453876112 /nfs/dbraw/zinc/87/61/12/453876112.db2.gz TXVQEPYFUUUSDU-GXTWGEPZSA-N 0 3 336.413 3.089 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000043148819 454045462 /nfs/dbraw/zinc/04/54/62/454045462.db2.gz WYSBWADOVCXLRP-GXTWGEPZSA-N 0 3 334.420 3.145 20 5 EGBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCCO2 ZINC000089580817 454163343 /nfs/dbraw/zinc/16/33/43/454163343.db2.gz UELUQLPZQRUDTC-ZDUSSCGKSA-N 0 3 344.367 3.096 20 5 EGBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccccc1C(F)(F)F ZINC000090538114 454318546 /nfs/dbraw/zinc/31/85/46/454318546.db2.gz IKPLNRAHXWHOLI-JTQLQIEISA-N 0 3 328.294 3.161 20 5 EGBDHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072663403 454324201 /nfs/dbraw/zinc/32/42/01/454324201.db2.gz HJWZCWFSNRFEAJ-KEYYUXOJSA-N 0 3 343.427 3.137 20 5 EGBDHN Cc1cc(NC(=O)C(C)C(F)(F)F)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000079944059 454502699 /nfs/dbraw/zinc/50/26/99/454502699.db2.gz TYFJOWYWGYNZJR-VIFPVBQESA-N 0 3 342.277 3.226 20 5 EGBDHN CCCCNC(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000051058447 454607280 /nfs/dbraw/zinc/60/72/80/454607280.db2.gz LUQKCRDLORPSEV-INIZCTEOSA-N 0 3 333.432 3.032 20 5 EGBDHN Cc1cccc(OC[C@@H](O)CN[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000152895178 454738122 /nfs/dbraw/zinc/73/81/22/454738122.db2.gz YSZQWFQHMPFQIQ-RDJZCZTQSA-N 0 3 344.411 3.302 20 5 EGBDHN CC[C@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126986615 454930816 /nfs/dbraw/zinc/93/08/16/454930816.db2.gz YEYMTOWGFGSACJ-WMZOPIPTSA-N 0 3 345.443 3.427 20 5 EGBDHN CC[C@H](NCCC(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000128734374 455080419 /nfs/dbraw/zinc/08/04/19/455080419.db2.gz HDRUNOXTJUZCQH-KRWDZBQOSA-N 0 3 333.432 3.475 20 5 EGBDHN Cc1ccc(C)c(OC[C@@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180414295 455165434 /nfs/dbraw/zinc/16/54/34/455165434.db2.gz FPTASTZIBVFGET-YJBOKZPZSA-N 0 3 344.411 3.302 20 5 EGBDHN Cc1cc(C)cc(OC[C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180428642 455167799 /nfs/dbraw/zinc/16/77/99/455167799.db2.gz RJTQHRLXWWUSTL-MAUKXSAKSA-N 0 3 344.411 3.302 20 5 EGBDHN COC(=O)c1cccc(OCCN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180429597 455167925 /nfs/dbraw/zinc/16/79/25/455167925.db2.gz ZTZNJTNMYKBLCL-ZDUSSCGKSA-N 0 3 344.367 3.111 20 5 EGBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCN(C2CCCC2)CC1 ZINC000172651956 455168425 /nfs/dbraw/zinc/16/84/25/455168425.db2.gz OVDZQBNSELJWAM-UHFFFAOYSA-N 0 3 332.404 3.077 20 5 EGBDHN Cc1cc(NCCCOC[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181434460 455334288 /nfs/dbraw/zinc/33/42/88/455334288.db2.gz VRAVXTKKMBNVKU-OAHLLOKOSA-N 0 3 345.399 3.449 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245898911 455394263 /nfs/dbraw/zinc/39/42/63/455394263.db2.gz NPKBURFQORNZGI-USXIJHARSA-N 0 3 332.400 3.041 20 5 EGBDHN CCN(Cc1ccccc1C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182208676 455461182 /nfs/dbraw/zinc/46/11/82/455461182.db2.gz IMGOFHJAEUDEHI-QGZVFWFLSA-N 0 3 344.411 3.165 20 5 EGBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000182307235 455485097 /nfs/dbraw/zinc/48/50/97/455485097.db2.gz BAAMAVDYAPOUEI-OAHLLOKOSA-N 0 3 335.791 3.151 20 5 EGBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(OC(F)(F)F)cc1 ZINC000182507577 455528541 /nfs/dbraw/zinc/52/85/41/455528541.db2.gz LICLSQQITJQCCK-JTQLQIEISA-N 0 3 344.293 3.041 20 5 EGBDHN CC(=O)Nc1cccc([C@H](C)NCCOc2ccccc2[N+](=O)[O-])c1 ZINC000182545260 455537422 /nfs/dbraw/zinc/53/74/22/455537422.db2.gz FTVWKFVIMIDELF-ZDUSSCGKSA-N 0 3 343.383 3.283 20 5 EGBDHN C[C@H]1CN(CCCNc2ccc3ncccc3c2[N+](=O)[O-])CCCO1 ZINC000277566383 455600709 /nfs/dbraw/zinc/60/07/09/455600709.db2.gz AUAVNMWVILFCPY-AWEZNQCLSA-N 0 3 344.415 3.056 20 5 EGBDHN CCc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000271471608 455649725 /nfs/dbraw/zinc/64/97/25/455649725.db2.gz IKISLYJNKYGYNK-KCQAQPDRSA-N 0 3 343.431 3.337 20 5 EGBDHN CCc1nnc([C@H](C)N[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000271471608 455649728 /nfs/dbraw/zinc/64/97/28/455649728.db2.gz IKISLYJNKYGYNK-KCQAQPDRSA-N 0 3 343.431 3.337 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)c1cccc(F)c1)CCC2 ZINC000192745073 455684642 /nfs/dbraw/zinc/68/46/42/455684642.db2.gz DQYSTEFIPDVDLF-QZTJIDSGSA-N 0 3 330.359 3.435 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H](CO)Cc1ccccc1)CCC2 ZINC000193302452 455751458 /nfs/dbraw/zinc/75/14/58/455751458.db2.gz IVLKWWPGQTTYRB-VQIMIIECSA-N 0 3 326.396 3.165 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCO[C@@H]1CC(C)C ZINC000186398499 455761282 /nfs/dbraw/zinc/76/12/82/455761282.db2.gz CFDMCXZOXCYZMF-IAGOWNOFSA-N 0 3 349.431 3.025 20 5 EGBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000271796131 455762753 /nfs/dbraw/zinc/76/27/53/455762753.db2.gz KBGRGPAFSQNYFX-YEBMWUKDSA-N 0 3 348.424 3.062 20 5 EGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000272146508 455858433 /nfs/dbraw/zinc/85/84/33/455858433.db2.gz FNEASELJXJLAKR-LLVKDONJSA-N 0 3 339.823 3.051 20 5 EGBDHN Cc1ccc(NC(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272392594 455936003 /nfs/dbraw/zinc/93/60/03/455936003.db2.gz WAHANSVIFTVDOB-CYBMUJFWSA-N 0 3 334.420 3.097 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccccc1)N1CCCC1 ZINC000195334585 455944976 /nfs/dbraw/zinc/94/49/76/455944976.db2.gz DHWWSPGRCVRFDA-INIZCTEOSA-N 0 3 343.431 3.369 20 5 EGBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000301293275 456083651 /nfs/dbraw/zinc/08/36/51/456083651.db2.gz VVWKCUFZVXSSLT-CQSZACIVSA-N 0 3 338.770 3.497 20 5 EGBDHN COc1cc(NCCCN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301335079 456093112 /nfs/dbraw/zinc/09/31/12/456093112.db2.gz CMTATASXXNZRRS-UHFFFAOYSA-N 0 3 341.411 3.464 20 5 EGBDHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccccc2[N+](=O)[O-])CC1 ZINC000272875599 456097672 /nfs/dbraw/zinc/09/76/72/456097672.db2.gz POLFLTCPQMUHFI-HNNXBMFYSA-N 0 3 349.431 3.474 20 5 EGBDHN Cc1cccc([C@H]2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000273039712 456156004 /nfs/dbraw/zinc/15/60/04/456156004.db2.gz DQIBNGPCXBVSMS-HKUYNNGSSA-N 0 3 326.396 3.426 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](N)c1ccc(C(C)C)cc1 ZINC000236775303 456182185 /nfs/dbraw/zinc/18/21/85/456182185.db2.gz PQFITCMASQWHFZ-GOSISDBHSA-N 0 3 341.411 3.456 20 5 EGBDHN O=[N+]([O-])c1ccc(Br)cc1N1CC[C@H](N2CCCC2)C1 ZINC000301690896 456188623 /nfs/dbraw/zinc/18/86/23/456188623.db2.gz WKLJWZZKXIJQRC-LBPRGKRZSA-N 0 3 340.221 3.032 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCCC3)CC2)c(OC(F)F)c1 ZINC000302030007 456271511 /nfs/dbraw/zinc/27/15/11/456271511.db2.gz BLEAVAFSUSMLDC-UHFFFAOYSA-N 0 3 341.358 3.261 20 5 EGBDHN CN(C)[C@H]1CCCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275829602 456326667 /nfs/dbraw/zinc/32/66/67/456326667.db2.gz OBQQUBAFHURMFE-HNNXBMFYSA-N 0 3 349.434 3.260 20 5 EGBDHN Cc1cc(N(CCN(C)C)Cc2ccccc2F)ncc1[N+](=O)[O-] ZINC000347740898 456342522 /nfs/dbraw/zinc/34/25/22/456342522.db2.gz PYQZELFPCOEBBT-UHFFFAOYSA-N 0 3 332.379 3.006 20 5 EGBDHN COc1ccc(CN[C@@H]2Cc3[nH]c4ccccc4c3C2)cc1[N+](=O)[O-] ZINC000281997197 456386639 /nfs/dbraw/zinc/38/66/39/456386639.db2.gz PZSOJVHEOFWXAS-ZDUSSCGKSA-N 0 3 337.379 3.342 20 5 EGBDHN CCCN(CCN1CCCC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352894354 456395520 /nfs/dbraw/zinc/39/55/20/456395520.db2.gz SJCSQSYWRAXZLG-UHFFFAOYSA-N 0 3 327.375 3.181 20 5 EGBDHN O=[N+]([O-])c1ccccc1NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000302800283 456405781 /nfs/dbraw/zinc/40/57/81/456405781.db2.gz SPVVKWOVJUGICV-KRWDZBQOSA-N 0 3 341.411 3.298 20 5 EGBDHN O=C(CCN1CC2(CCC2)[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000290766226 456424903 /nfs/dbraw/zinc/42/49/03/456424903.db2.gz KVAXMJNNPUKWRO-QGZVFWFLSA-N 0 3 329.400 3.188 20 5 EGBDHN O=C(CN1CCC[C@H]2CCCC[C@@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000302914125 456436595 /nfs/dbraw/zinc/43/65/95/456436595.db2.gz UVFZYYROAAFLMJ-PBHICJAKSA-N 0 3 343.427 3.139 20 5 EGBDHN CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000353145706 456521362 /nfs/dbraw/zinc/52/13/62/456521362.db2.gz XJNOSIQDQXTVKZ-DZGCQCFKSA-N 0 3 339.823 3.031 20 5 EGBDHN Cc1ccnc(N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000310157948 456580031 /nfs/dbraw/zinc/58/00/31/456580031.db2.gz HPYIZDINJBJXAS-GDBMZVCRSA-N 0 3 326.400 3.373 20 5 EGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](Cc2nccn2C)C1 ZINC000340892700 456744971 /nfs/dbraw/zinc/74/49/71/456744971.db2.gz BTNZOCGSVDROOV-CABCVRRESA-N 0 3 328.416 3.344 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1F ZINC000283311526 456756696 /nfs/dbraw/zinc/75/66/96/456756696.db2.gz ZAOMKWDAQBHOGE-WMLDXEAASA-N 0 3 333.407 3.183 20 5 EGBDHN CCc1nn(C)c(NC[C@@H](N[C@@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000340972272 456791627 /nfs/dbraw/zinc/79/16/27/456791627.db2.gz PVPYRKMCFHJQFZ-WCQYABFASA-N 0 3 335.408 3.025 20 5 EGBDHN COc1cc(CN[C@@H](C)[C@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000348771865 456849931 /nfs/dbraw/zinc/84/99/31/456849931.db2.gz HULCZJUMJNPVFB-SWLSCSKDSA-N 0 3 328.368 3.258 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc4c(c3)CCC4)C2)nc1 ZINC000353719346 456871627 /nfs/dbraw/zinc/87/16/27/456871627.db2.gz ZNYSOWQWIFMPLE-QGZVFWFLSA-N 0 3 338.411 3.165 20 5 EGBDHN C[C@@H](NCc1ccc(C[S@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000353809730 456916375 /nfs/dbraw/zinc/91/63/75/456916375.db2.gz BUCVFTFXAFGTMO-ZLOXQWCVSA-N 0 3 332.425 3.324 20 5 EGBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H]2CCO[C@H]2C2CC2)c1 ZINC000339125415 456951779 /nfs/dbraw/zinc/95/17/79/456951779.db2.gz VNDFKAJMWBRGFM-KBPBESRZSA-N 0 3 330.306 3.271 20 5 EGBDHN CN(CC1CCN(c2ccncc2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000342470364 457320836 /nfs/dbraw/zinc/32/08/36/457320836.db2.gz HNVZODARZIHTMH-UHFFFAOYSA-N 0 3 344.390 3.482 20 5 EGBDHN C[C@]1(NCc2cccc([N+](=O)[O-])c2)CCN(Cc2ccccc2)C1 ZINC000406031151 457555493 /nfs/dbraw/zinc/55/54/93/457555493.db2.gz NBHNKWMHTQXSKN-IBGZPJMESA-N 0 3 325.412 3.349 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1N(CCN(C)C)CC1CCCCC1 ZINC000361073273 457564604 /nfs/dbraw/zinc/56/46/04/457564604.db2.gz JRQPKGOGPAKGOO-UHFFFAOYSA-N 0 3 337.468 3.068 20 5 EGBDHN C[C@H](CCO)N(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000357552081 457592721 /nfs/dbraw/zinc/59/27/21/457592721.db2.gz KCEBMEHRTYTVME-MRXNPFEDSA-N 0 3 344.411 3.247 20 5 EGBDHN CSC1(CNc2ccc([N+](=O)[O-])c(C(C)=O)c2)CCN(C)CC1 ZINC000357582307 457605678 /nfs/dbraw/zinc/60/56/78/457605678.db2.gz OOXLNWPDGYHBKR-UHFFFAOYSA-N 0 3 337.445 3.037 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)C[C@H](O)Cc1ccccc1 ZINC000433045480 457652165 /nfs/dbraw/zinc/65/21/65/457652165.db2.gz MDMOFIAMBOXAJZ-MAUKXSAKSA-N 0 3 328.412 3.500 20 5 EGBDHN Cn1cccc1[C@@H]1CCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411328206 457857963 /nfs/dbraw/zinc/85/79/63/457857963.db2.gz SPWMUASWYOQEKH-KRWDZBQOSA-N 0 3 342.399 3.099 20 5 EGBDHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000411409825 457878739 /nfs/dbraw/zinc/87/87/39/457878739.db2.gz RIZKRVAWWYGXNC-DFEHZGFQSA-N 0 3 345.443 3.077 20 5 EGBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000371444047 457933907 /nfs/dbraw/zinc/93/39/07/457933907.db2.gz VKDKAEBXLMOIFG-JKSUJKDBSA-N 0 3 334.416 3.112 20 5 EGBDHN CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000444679076 457937349 /nfs/dbraw/zinc/93/73/49/457937349.db2.gz TUTPAHLVWDIUOM-CZUORRHYSA-N 0 3 349.431 3.443 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN2CCC(n3cc(Cl)cn3)CC2)cc1 ZINC000367852534 457986006 /nfs/dbraw/zinc/98/60/06/457986006.db2.gz FDRNGGSECDFKNG-UHFFFAOYSA-N 0 3 334.807 3.324 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000375817514 458080829 /nfs/dbraw/zinc/08/08/29/458080829.db2.gz UIEUDSGTVUSJKS-HUUCEWRRSA-N 0 3 328.416 3.262 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000376079143 458187923 /nfs/dbraw/zinc/18/79/23/458187923.db2.gz HAEHBUJXDSQKMI-UKRRQHHQSA-N 0 3 344.415 3.153 20 5 EGBDHN Cc1c(NC(=O)NC[C@@H]2N(C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000447912796 458364919 /nfs/dbraw/zinc/36/49/19/458364919.db2.gz KVKPNGCQDSMRCX-HNNXBMFYSA-N 0 3 334.420 3.145 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H]1NCCc3ccccc31)CCC2 ZINC000423445539 458434673 /nfs/dbraw/zinc/43/46/73/458434673.db2.gz YJCSXJBVPPFVPE-VQTJNVASSA-N 0 3 337.423 3.449 20 5 EGBDHN COc1ccc(OCCN2CC[C@H]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000437829319 458498189 /nfs/dbraw/zinc/49/81/89/458498189.db2.gz OSBLOTQNBSDYRI-INIZCTEOSA-N 0 3 342.395 3.299 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCn3ccnc3C2)o1 ZINC000494422191 458673635 /nfs/dbraw/zinc/67/36/35/458673635.db2.gz BKFPOXJRHBNGMA-ZDUSSCGKSA-N 0 3 338.367 3.156 20 5 EGBDHN CCc1ccc(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000471821176 458737742 /nfs/dbraw/zinc/73/77/42/458737742.db2.gz JPGXUOMBBPUIBM-ZIAGYGMSSA-N 0 3 333.432 3.007 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCOC3CCCCCC3)C2)nc1 ZINC000440493977 458819488 /nfs/dbraw/zinc/81/94/88/458819488.db2.gz ZBKQWDRUJCEJCZ-HNNXBMFYSA-N 0 3 348.447 3.215 20 5 EGBDHN COC(=O)COc1ccc(CNCCC2=CCCCC2)cc1[N+](=O)[O-] ZINC000474354021 458879320 /nfs/dbraw/zinc/87/93/20/458879320.db2.gz IUVHKVVKPSVGAD-UHFFFAOYSA-N 0 3 348.399 3.127 20 5 EGBDHN Cc1cc(NC[C@@]2(C)CCO[C@@H]2C2CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000466640534 458910555 /nfs/dbraw/zinc/91/05/55/458910555.db2.gz QEIXRWGMWALERP-RTBURBONSA-N 0 3 341.411 3.490 20 5 EGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(Cc2nccn2C)CC1 ZINC000441319361 458918324 /nfs/dbraw/zinc/91/83/24/458918324.db2.gz UTDFKSTYIJPPEC-AWEZNQCLSA-N 0 3 328.416 3.344 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000475571825 458953247 /nfs/dbraw/zinc/95/32/47/458953247.db2.gz NMBBBAUDPSSMDQ-OAHLLOKOSA-N 0 3 348.447 3.454 20 5 EGBDHN CC[C@@H](C)[C@@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000532586157 459113107 /nfs/dbraw/zinc/11/31/07/459113107.db2.gz UIGIZDJOJUKWQD-PBHICJAKSA-N 0 3 333.432 3.458 20 5 EGBDHN Cc1cccc(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000521653548 459171191 /nfs/dbraw/zinc/17/11/91/459171191.db2.gz URAREBYOLVIZIF-SFHVURJKSA-N 0 3 344.411 3.083 20 5 EGBDHN CC(C)c1ccc(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961950 459195660 /nfs/dbraw/zinc/19/56/60/459195660.db2.gz BLBJLWYNNQMMHT-HUYGQZFBSA-N 0 3 338.473 3.498 20 5 EGBDHN CCO[C@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCCC2 ZINC000590739051 459201345 /nfs/dbraw/zinc/20/13/45/459201345.db2.gz JPPJMBSFQITSST-HOTGVXAUSA-N 0 3 344.415 3.299 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](O)[C@@H](C)c1ccccc1 ZINC000594999505 459210286 /nfs/dbraw/zinc/21/02/86/459210286.db2.gz AJJDUFURVRCNGV-KSSFIOAISA-N 0 3 344.411 3.248 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1Cc2ccccc2C1 ZINC000595008724 459214316 /nfs/dbraw/zinc/21/43/16/459214316.db2.gz RSWYEJOYEOEEHK-AWEZNQCLSA-N 0 3 341.411 3.270 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000595037090 459223988 /nfs/dbraw/zinc/22/39/88/459223988.db2.gz BKUVUEGERZBYAE-PKFCDNJMSA-N 0 3 348.321 3.100 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](CO)Cc1ccccc1C ZINC000595039065 459226124 /nfs/dbraw/zinc/22/61/24/459226124.db2.gz BGIMXTOYCIRYPL-HOCLYGCPSA-N 0 3 344.411 3.166 20 5 EGBDHN COc1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000559071765 459235155 /nfs/dbraw/zinc/23/51/55/459235155.db2.gz HPNVZGVSORANQF-UHFFFAOYSA-N 0 3 330.384 3.287 20 5 EGBDHN CC[C@@H](CC(F)F)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595290580 459267810 /nfs/dbraw/zinc/26/78/10/459267810.db2.gz MEIMKEYRQNRNGP-ZDUSSCGKSA-N 0 3 327.375 3.398 20 5 EGBDHN CC[C@H](CC(F)F)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000595290577 459268125 /nfs/dbraw/zinc/26/81/25/459268125.db2.gz MEIMKEYRQNRNGP-CYBMUJFWSA-N 0 3 327.375 3.398 20 5 EGBDHN COC(=O)c1ccc(Cl)c(CNCCc2cccc([N+](=O)[O-])c2)c1 ZINC000482236854 459298266 /nfs/dbraw/zinc/29/82/66/459298266.db2.gz IOJYCJNSXFDBST-UHFFFAOYSA-N 0 3 348.786 3.367 20 5 EGBDHN CCN1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000595536127 459336891 /nfs/dbraw/zinc/33/68/91/459336891.db2.gz MRWRZVVSDGHNNX-AWEZNQCLSA-N 0 3 344.415 3.166 20 5 EGBDHN CC[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(F)(F)F ZINC000591265408 459343353 /nfs/dbraw/zinc/34/33/53/459343353.db2.gz VJCBYBZTQWTJMU-SNVBAGLBSA-N 0 3 348.321 3.434 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595791137 459442358 /nfs/dbraw/zinc/44/23/58/459442358.db2.gz ZSLVIZJYODSNAI-WMLDXEAASA-N 0 3 334.416 3.385 20 5 EGBDHN CC(C)(C)[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000541388848 459452955 /nfs/dbraw/zinc/45/29/55/459452955.db2.gz DDDXGTBTVNBWSV-CJNGLKHVSA-N 0 3 331.416 3.068 20 5 EGBDHN C[C@@H](C(=O)N1CCN(C2CCC2)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000561536149 459461763 /nfs/dbraw/zinc/46/17/63/459461763.db2.gz WYSYBFYBTZJSLA-LSDHHAIUSA-N 0 3 345.443 3.031 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](NC[C@H](CO)C2CC2)c2ccccc2)c1 ZINC000569534605 459465450 /nfs/dbraw/zinc/46/54/50/459465450.db2.gz LUIVUWFGCYIXRO-MJGOQNOKSA-N 0 3 326.396 3.292 20 5 EGBDHN O=C(c1cccc2c1CNC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595931609 459489194 /nfs/dbraw/zinc/48/91/94/459489194.db2.gz IAAHHJRQOLDNDT-UHFFFAOYSA-N 0 3 337.379 3.003 20 5 EGBDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596081649 459512782 /nfs/dbraw/zinc/51/27/82/459512782.db2.gz IRGMFIMFHCFZGW-FRRDWIJNSA-N 0 3 338.839 3.485 20 5 EGBDHN Cc1ccc([C@H](CNc2cc[n-]c(=O)c2[N+](=O)[O-])[NH+]2CCCC2)cc1 ZINC000596098019 459519748 /nfs/dbraw/zinc/51/97/48/459519748.db2.gz PXXYUDJVCCNQKS-INIZCTEOSA-N 0 3 342.399 3.253 20 5 EGBDHN Cc1c(CN2C[C@@H](c3cnn(C)c3)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000569890915 459524474 /nfs/dbraw/zinc/52/44/74/459524474.db2.gz GBCWELRONTWCNO-INIZCTEOSA-N 0 3 328.416 3.262 20 5 EGBDHN Cc1cc(NCC2([C@@H](C)CCO)CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000542119498 459527313 /nfs/dbraw/zinc/52/73/13/459527313.db2.gz FMHTZOMHSQDEBX-ZDUSSCGKSA-N 0 3 343.427 3.474 20 5 EGBDHN COC1CCN(CCNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000596158311 459542911 /nfs/dbraw/zinc/54/29/11/459542911.db2.gz CEBUVLOTZICVSA-UHFFFAOYSA-N 0 3 329.347 3.055 20 5 EGBDHN CC(C)(C)N1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000596336590 459600209 /nfs/dbraw/zinc/60/02/09/459600209.db2.gz QHXPGXKHULRTOK-JTQLQIEISA-N 0 3 343.225 3.037 20 5 EGBDHN COC(=O)COc1ccc(CN(C)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000592523639 459624461 /nfs/dbraw/zinc/62/44/61/459624461.db2.gz PKEGVVPEPANYPD-UHFFFAOYSA-N 0 3 338.404 3.015 20 5 EGBDHN Cc1cc(N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000499641269 459642826 /nfs/dbraw/zinc/64/28/26/459642826.db2.gz AZJURUPJHAIUBP-HZPDHXFCSA-N 0 3 340.427 3.397 20 5 EGBDHN Cc1cc(NCC2(CCO)CCCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543975635 459715430 /nfs/dbraw/zinc/71/54/30/459715430.db2.gz ZWKSGUWVVFJGEH-UHFFFAOYSA-N 0 3 329.400 3.228 20 5 EGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)oc2c1 ZINC000586790841 459873896 /nfs/dbraw/zinc/87/38/96/459873896.db2.gz MECDLVMQSWRWCV-LLVKDONJSA-N 0 3 343.339 3.171 20 5 EGBDHN CN(c1ccccc1)c1ccc(CN[C@H](CO)CCF)cc1[N+](=O)[O-] ZINC000593687476 459950753 /nfs/dbraw/zinc/95/07/53/459950753.db2.gz CWUWEKHWMCAEGB-HNNXBMFYSA-N 0 3 347.390 3.173 20 5 EGBDHN C[C@H](CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N(C)C1CC1 ZINC000602543016 459990442 /nfs/dbraw/zinc/99/04/42/459990442.db2.gz DPZKEZKULPHSSY-SNVBAGLBSA-N 0 3 331.338 3.186 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@@H](C)C(C)(C)O)o2)c([N+](=O)[O-])c1 ZINC000609707983 460009456 /nfs/dbraw/zinc/00/94/56/460009456.db2.gz TVSMHGWDHHUIRO-NSHDSACASA-N 0 3 334.372 3.112 20 5 EGBDHN O=[N+]([O-])c1sc(CNCC2(CO)CCCC2)cc1Br ZINC000602619375 460025474 /nfs/dbraw/zinc/02/54/74/460025474.db2.gz NADPJOZVXAXWKY-UHFFFAOYSA-N 0 3 349.250 3.061 20 5 EGBDHN CC(C)(C[C@@H]1CCCN([C@H]2CCc3c2cccc3[N+](=O)[O-])C1)C(N)=O ZINC000575880989 460025504 /nfs/dbraw/zinc/02/55/04/460025504.db2.gz CROPYKZBHMHTGI-BBRMVZONSA-N 0 3 345.443 3.196 20 5 EGBDHN Cc1cccnc1CCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602674133 460058170 /nfs/dbraw/zinc/05/81/70/460058170.db2.gz FEHNOTUXDULDHC-UHFFFAOYSA-N 0 3 326.356 3.162 20 5 EGBDHN COCC1(NCc2cc(Br)c([N+](=O)[O-])s2)CCCC1 ZINC000602706523 460076455 /nfs/dbraw/zinc/07/64/55/460076455.db2.gz PKKVUAQBSUZXCB-UHFFFAOYSA-N 0 3 349.250 3.468 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCNC1(c2ccc(F)cc2)CCCC1 ZINC000602792260 460127952 /nfs/dbraw/zinc/12/79/52/460127952.db2.gz NDGGWTIRLBPZMK-UHFFFAOYSA-N 0 3 332.379 3.298 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000602801268 460132948 /nfs/dbraw/zinc/13/29/48/460132948.db2.gz MPXJFEFUTAOEIZ-CYBMUJFWSA-N 0 3 332.404 3.238 20 5 EGBDHN CCc1ccc([C@H]2CCN(CCn3c(C)ncc3[N+](=O)[O-])C2)cc1 ZINC000602839432 460154181 /nfs/dbraw/zinc/15/41/81/460154181.db2.gz JBDAGRDBLNCLIS-KRWDZBQOSA-N 0 3 328.416 3.152 20 5 EGBDHN COc1cccc2c1OCC[C@H]2NCCc1ccc([N+](=O)[O-])cc1 ZINC000610811068 460241127 /nfs/dbraw/zinc/24/11/27/460241127.db2.gz INIVIXFCFRPLCE-MRXNPFEDSA-N 0 3 328.368 3.259 20 5 EGBDHN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)OC(C)(C)C ZINC000599589378 460282666 /nfs/dbraw/zinc/28/26/66/460282666.db2.gz SAUWXWCWCNCZIF-WMLDXEAASA-N 0 3 348.443 3.437 20 5 EGBDHN Cc1ccc(CN2CC[C@H](CN(C)c3ncccc3[N+](=O)[O-])C2)s1 ZINC000603404335 460298950 /nfs/dbraw/zinc/29/89/50/460298950.db2.gz ZDYNAFOVRFJRBA-CQSZACIVSA-N 0 3 346.456 3.318 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000611350470 460343347 /nfs/dbraw/zinc/34/33/47/460343347.db2.gz NMLMXFBJMBKJQU-CVEARBPZSA-N 0 3 334.416 3.112 20 5 EGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)c1ccccn1 ZINC000611469200 460371274 /nfs/dbraw/zinc/37/12/74/460371274.db2.gz VIEZEKIZKRBLOD-STQMWFEESA-N 0 3 328.372 3.058 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000611515186 460384086 /nfs/dbraw/zinc/38/40/86/460384086.db2.gz HHJYRMVHMWDSMJ-FUHWJXTLSA-N 0 3 347.459 3.151 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc4[nH]ccc4c3)C2)nc1 ZINC000600116156 460390046 /nfs/dbraw/zinc/39/00/46/460390046.db2.gz LGAMVFVRDGGOBV-HNNXBMFYSA-N 0 3 337.383 3.158 20 5 EGBDHN COc1ccc(-c2ccc(CN(C)CC3(C)COC3)o2)c([N+](=O)[O-])c1 ZINC000600190889 460429885 /nfs/dbraw/zinc/42/98/85/460429885.db2.gz NXWGNGILTILNLB-UHFFFAOYSA-N 0 3 346.383 3.332 20 5 EGBDHN CC(C)c1ccc(CNCCC(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000604532655 460442015 /nfs/dbraw/zinc/44/20/15/460442015.db2.gz KOYSNCOPVUPRSW-UHFFFAOYSA-N 0 3 342.399 3.232 20 5 EGBDHN CC(C)(CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1 ZINC000604532169 460442050 /nfs/dbraw/zinc/44/20/50/460442050.db2.gz DFVUBASZZFVZIS-UHFFFAOYSA-N 0 3 342.395 3.433 20 5 EGBDHN C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)[C@H]2CCCC[C@@H]12 ZINC000611983690 460501145 /nfs/dbraw/zinc/50/11/45/460501145.db2.gz AGWNVXIWHRTSRW-SNPRPXQTSA-N 0 3 332.400 3.377 20 5 EGBDHN C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCOCC1 ZINC000179871372 533939912 /nfs/dbraw/zinc/93/99/12/533939912.db2.gz OEWBNEZRKOUDSC-LBPRGKRZSA-N 0 3 331.372 3.155 20 5 EGBDHN N[C@@H](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)c1ccccc1 ZINC000423722110 518197677 /nfs/dbraw/zinc/19/76/77/518197677.db2.gz JVFLDQOIJHDMKI-SFHVURJKSA-N 0 3 339.395 3.176 20 5 EGBDHN CCN(CC)Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000178162861 528197481 /nfs/dbraw/zinc/19/74/81/528197481.db2.gz PWBRBQSWHMABDQ-UHFFFAOYSA-N 0 3 342.399 3.271 20 5 EGBDHN CC[C@@H](NCc1cccc([N+](=O)[O-])c1)[C@H](O)c1c(F)cccc1F ZINC000266274043 535806225 /nfs/dbraw/zinc/80/62/25/535806225.db2.gz CPIBKNIJZMBNCA-WBVHZDCISA-N 0 3 336.338 3.475 20 5 EGBDHN Cc1cc(C(=O)N(C)Cc2ccc(CN(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000738525120 576334671 /nfs/dbraw/zinc/33/46/71/576334671.db2.gz ZMUXTJGVFQOQHB-UHFFFAOYSA-N 0 3 341.411 3.237 20 5 EGBDHN COc1ccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000742369652 576774442 /nfs/dbraw/zinc/77/44/42/576774442.db2.gz BRMICFWFROQLLP-HNNXBMFYSA-N 0 3 336.775 3.080 20 5 EGBDHN C[C@H](NCCC(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000830167402 1292678791 /nfs/dbraw/zinc/67/87/91/1292678791.db2.gz LSAMIIGNPCVCOO-AWEZNQCLSA-N 0 3 328.368 3.379 20 5 EGBDHN CCCN(C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CCN(C)C1 ZINC000831786438 1292919097 /nfs/dbraw/zinc/91/90/97/1292919097.db2.gz CMFHKMBOWCTMKV-LLVKDONJSA-N 0 3 340.811 3.196 20 5 EGBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H](CO)C(C)(C)C ZINC000093821897 1292933087 /nfs/dbraw/zinc/93/30/87/1292933087.db2.gz QJGWHVCYNIFIKS-ZDUSSCGKSA-N 0 3 345.237 3.196 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@@H](c4ccccc4)C3)n2)c1 ZINC000120244891 1293312240 /nfs/dbraw/zinc/31/22/40/1293312240.db2.gz QWEAKTFKAXSERX-QGZVFWFLSA-N 0 3 349.394 3.300 20 5 EGBDHN CN(C)[C@H](CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000210295519 1296101286 /nfs/dbraw/zinc/10/12/86/1296101286.db2.gz GDAJGNUKHDWWCO-ADYSOMBNSA-N 0 3 339.395 3.027 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)[C@H](CO)SC ZINC000872038456 1296689865 /nfs/dbraw/zinc/68/98/65/1296689865.db2.gz NUZMVSNHMUREPW-BHDSKKPTSA-N 0 3 330.475 3.080 20 5 EGBDHN CC(C)CC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])c(Br)c1 ZINC000707715135 1298230977 /nfs/dbraw/zinc/23/09/77/1298230977.db2.gz LFEXJZYHEYZLPI-NSHDSACASA-N 0 3 344.209 3.059 20 5 EGBDHN CCS[C@H]1CC[C@H](N(C)Cn2nc(C)c3cc([N+](=O)[O-])cnc32)C1 ZINC000749962533 1299315505 /nfs/dbraw/zinc/31/55/05/1299315505.db2.gz XNJIUENSTLUARV-JSGCOSHPSA-N 0 3 349.460 3.211 20 5 EGBDHN Cc1ccc(CN2C[C@@H](c3cnn(C)c3)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000878658263 1300130876 /nfs/dbraw/zinc/13/08/76/1300130876.db2.gz XAIPHNPSBKBJSQ-INIZCTEOSA-N 0 3 328.416 3.262 20 5 EGBDHN COc1cc(NCCN2CCCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000767443395 1302679335 /nfs/dbraw/zinc/67/93/35/1302679335.db2.gz VEURZCJWZOBCQS-UHFFFAOYSA-N 0 3 337.420 3.146 20 5 EGBDHN CC1(C)CCCN(CCNCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000767736110 1302754139 /nfs/dbraw/zinc/75/41/39/1302754139.db2.gz BZJIWCMCYNVWFM-UHFFFAOYSA-N 0 3 325.840 3.460 20 5 EGBDHN CCN1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000888288667 1304104145 /nfs/dbraw/zinc/10/41/45/1304104145.db2.gz UWTFMOTYGOIFMQ-UHFFFAOYSA-N 0 3 340.811 3.116 20 5 EGBDHN Cc1ccccc1OCCCN(C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275933 1304126445 /nfs/dbraw/zinc/12/64/45/1304126445.db2.gz IRHLSHHLMNFIBB-SFHVURJKSA-N 0 3 344.411 3.338 20 5 EGBDHN O=[N+]([O-])c1ccc([C@@H](O)CN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000776280410 1304127303 /nfs/dbraw/zinc/12/73/03/1304127303.db2.gz ZHPNWFWRDHDBDC-SFHVURJKSA-N 0 3 330.359 3.432 20 5 EGBDHN COc1cc([N+](=O)[O-])cnc1NC1CCN(Cc2ccccc2)CC1 ZINC000891420134 1305046769 /nfs/dbraw/zinc/04/67/69/1305046769.db2.gz WLGNZJHNAJYNHC-UHFFFAOYSA-N 0 3 342.399 3.075 20 5 EGBDHN COc1c(O)ccc(CNC[C@@H](C)Oc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000893085871 1305698237 /nfs/dbraw/zinc/69/82/37/1305698237.db2.gz IERIXAWVMZCEPO-CYBMUJFWSA-N 0 3 346.383 3.175 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1cccc(C(N)=O)c1 ZINC000787407187 1305741266 /nfs/dbraw/zinc/74/12/66/1305741266.db2.gz SSDFTPODOJVZAR-NTEUORMPSA-N 0 3 339.395 3.229 20 5 EGBDHN COc1cc(NC[C@@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000790285011 1306290040 /nfs/dbraw/zinc/29/00/40/1306290040.db2.gz MGCXVBCPEHBBKP-INIZCTEOSA-N 0 3 337.420 3.144 20 5 EGBDHN COCCN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CC[C@@H](C)C1 ZINC000790482177 1306335142 /nfs/dbraw/zinc/33/51/42/1306335142.db2.gz ZMBZAEVLWSURAV-HIFRSBDPSA-N 0 3 332.404 3.039 20 5 EGBDHN COCCN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H]1CC[C@H](C)C1 ZINC000790482179 1306336023 /nfs/dbraw/zinc/33/60/23/1306336023.db2.gz ZMBZAEVLWSURAV-ZFWWWQNUSA-N 0 3 332.404 3.039 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1cnn(CC2CCC2)c1 ZINC000897433235 1310336257 /nfs/dbraw/zinc/33/62/57/1310336257.db2.gz SMRMIXBGVYBYLD-YWEYNIOJSA-N 0 3 326.400 3.394 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H](CCO)Cc1ccccc1 ZINC000799350060 1310533743 /nfs/dbraw/zinc/53/37/43/1310533743.db2.gz NWIFVFKDLRYTRM-QGZVFWFLSA-N 0 3 344.411 3.077 20 5 EGBDHN CC(C)NCc1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901397984 1317418196 /nfs/dbraw/zinc/41/81/96/1317418196.db2.gz IAVBAQNKMVJQQN-UHFFFAOYSA-N 0 3 330.388 3.348 20 5 EGBDHN C[C@@H]1C[C@H](Nc2cc(Br)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000811811897 1318271782 /nfs/dbraw/zinc/27/17/82/1318271782.db2.gz HWQUGPDZEGUUNJ-KOLCDFICSA-N 0 3 340.221 3.394 20 5 EGBDHN Cc1ccc(OCc2ccc(C(=O)OCC(C)[N+](=O)[O-])o2)c(C)c1 ZINC000813102126 1318498977 /nfs/dbraw/zinc/49/89/77/1318498977.db2.gz NWVYBCVMXSIDNH-ZDUSSCGKSA-N 0 3 333.340 3.297 20 5 EGBDHN CCN(CC)c1nc2sc(C(=O)OCC(C)[N+](=O)[O-])cc2s1 ZINC000813107661 1318499972 /nfs/dbraw/zinc/49/99/72/1318499972.db2.gz PYEHLIJTCFGARM-QMMMGPOBSA-N 0 3 343.430 3.026 20 5 EGBDHN CC(COC(=O)c1csc(-c2ccc(Cl)cc2)n1)[N+](=O)[O-] ZINC000813113070 1318502106 /nfs/dbraw/zinc/50/21/06/1318502106.db2.gz WYLVWDYVWFFINZ-QMMMGPOBSA-N 0 3 326.761 3.286 20 5 EGBDHN Cc1cc(Cl)c(C(=O)NCCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000825441101 1320338246 /nfs/dbraw/zinc/33/82/46/1320338246.db2.gz KPZPIWKYBBNYFD-UHFFFAOYSA-N 0 3 339.823 3.162 20 5 EGBDHN C[C@@H](CN1CCCC1)OC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000845672082 1321732336 /nfs/dbraw/zinc/73/23/36/1321732336.db2.gz MOPNKYSHOWUORS-STQMWFEESA-N 0 3 338.429 3.103 20 5 EGBDHN CC(C)(C)N1CC[C@H]1COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000845728561 1321737334 /nfs/dbraw/zinc/73/73/34/1321737334.db2.gz JMACBTPIOXJSRT-ZDUSSCGKSA-N 0 3 334.416 3.288 20 5 EGBDHN CC([C@@H](OC(=O)CC[C@H]1CC[C@@H](C)O1)c1ccccc1F)[N+](=O)[O-] ZINC000845873200 1321747206 /nfs/dbraw/zinc/74/72/06/1321747206.db2.gz BYHJCMGLXXCCAT-IPJQOSJUSA-N 0 3 339.363 3.423 20 5 EGBDHN CC(C)OCCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874205 1321747891 /nfs/dbraw/zinc/74/78/91/1321747891.db2.gz GBKFGOPJQLPNOG-MLGOLLRUSA-N 0 3 327.352 3.280 20 5 EGBDHN CC([C@@H](OC(=O)COC1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845874950 1321748631 /nfs/dbraw/zinc/74/86/31/1321748631.db2.gz KJTKJMYYIHOOJK-BDJLRTHQSA-N 0 3 325.336 3.034 20 5 EGBDHN CC([C@@H](OC(=O)[C@@H]1CCCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845879258 1321749224 /nfs/dbraw/zinc/74/92/24/1321749224.db2.gz IATYJLFZNIXUSA-JTNHKYCSSA-N 0 3 327.377 3.218 20 5 EGBDHN CC(C)n1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845876661 1321749372 /nfs/dbraw/zinc/74/93/72/1321749372.db2.gz PTJUICZWQJTLFL-NHYWBVRUSA-N 0 3 335.335 3.166 20 5 EGBDHN CC(=O)CC(C)(C)CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879347 1321750420 /nfs/dbraw/zinc/75/04/20/1321750420.db2.gz IYKCMRNUGNRQQW-WBMJQRKESA-N 0 3 339.363 3.471 20 5 EGBDHN COc1csc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845880692 1321750626 /nfs/dbraw/zinc/75/06/26/1321750626.db2.gz XVNLCVYOGFUTTE-OTYXRUKQSA-N 0 3 339.344 3.459 20 5 EGBDHN CC([C@H](OC(=O)C[C@H]1CCC(=O)[C@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000845883743 1321751065 /nfs/dbraw/zinc/75/10/65/1321751065.db2.gz VMIBJCLSKUUMHA-AEMSQSNESA-N 0 3 337.347 3.081 20 5 EGBDHN CC([C@@H](OC(=O)c1occ2c1CCOC2)c1ccccc1F)[N+](=O)[O-] ZINC000845884556 1321751358 /nfs/dbraw/zinc/75/13/58/1321751358.db2.gz ZMBYQEZALJYUBQ-ZUZCIYMTSA-N 0 3 349.314 3.055 20 5 EGBDHN C[C@@H](CNC(=O)OC(C)(C)C)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848546870 1321973192 /nfs/dbraw/zinc/97/31/92/1321973192.db2.gz HUBLMKUMJOSFDO-FZMZJTMJSA-N 0 3 335.404 3.085 20 5 EGBDHN COC(=O)Cc1ccccc1CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848573117 1321978825 /nfs/dbraw/zinc/97/88/25/1321978825.db2.gz QGWHVSDBCYSKPP-QGZVFWFLSA-N 0 3 340.379 3.087 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](O)c1ccccc1C ZINC000850434715 1322248559 /nfs/dbraw/zinc/24/85/59/1322248559.db2.gz WXWMSRCSUDNJBQ-DYVFJYSZSA-N 0 3 330.384 3.296 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@](C)(O)c1ccsc1 ZINC000850437425 1322249448 /nfs/dbraw/zinc/24/94/48/1322249448.db2.gz PBNRXMIXZNYYGU-BZNIZROVSA-N 0 3 336.413 3.223 20 5 EGBDHN CC(COC(=O)c1cc2cc(Br)ccc2s1)[N+](=O)[O-] ZINC000860777544 1329354563 /nfs/dbraw/zinc/35/45/63/1329354563.db2.gz QFOQEYUGKPFILL-SSDOTTSWSA-N 0 3 344.186 3.486 20 5 EGBDHN CN(C)c1ncccc1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001324378176 1387613703 /nfs/dbraw/zinc/61/37/03/1387613703.db2.gz KRAZUDIVWPPTJZ-MRXNPFEDSA-N 0 3 340.427 3.435 20 5 EGBDHN Cc1nn(CN2CC[C@H]3CCCC[C@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC001116207975 1370859501 /nfs/dbraw/zinc/85/95/01/1370859501.db2.gz HDWMBXHNYUZWGT-KGLIPLIRSA-N 0 3 329.404 3.118 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2CC[C@@H]3NCCO[C@H]32)cc1 ZINC001218151064 1373570851 /nfs/dbraw/zinc/57/08/51/1373570851.db2.gz ROVXJMOVPJMYFW-YTQUADARSA-N 0 3 340.379 3.160 20 5 EGBDHN O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@@H]1CCN(Cc2ccccc2)C1 ZINC001230595569 1376091065 /nfs/dbraw/zinc/09/10/65/1376091065.db2.gz KUVZUGXRQIPRQA-OAHLLOKOSA-N 0 3 338.367 3.124 20 5 EGBDHN O=[N+]([O-])c1nc(Cl)ccc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001230873229 1376172622 /nfs/dbraw/zinc/17/26/22/1376172622.db2.gz XCANYAFVROUYQI-ZDUSSCGKSA-N 0 3 333.775 3.297 20 5 EGBDHN CC(C)c1cccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC001146623803 1378880460 /nfs/dbraw/zinc/88/04/60/1378880460.db2.gz QPNRFHLGGGTDAT-UHFFFAOYSA-N 0 3 341.411 3.238 20 5 EGBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC001149710665 1379434014 /nfs/dbraw/zinc/43/40/14/1379434014.db2.gz BIDMWHCGVUNHGK-UHFFFAOYSA-N 0 3 349.390 3.268 20 5 EGBDHN c1cnc2c(c1)ccc1ccc(N[C@H]3CCCC[C@@]34CNCCO4)nc12 ZINC001155824311 1380495789 /nfs/dbraw/zinc/49/57/89/1380495789.db2.gz NTUMNQYWYVMAKP-LAUBAEHRSA-N 0 3 348.450 3.496 20 5 EGBDHN COc1cnc(NC[C@@H](c2ccccc2)N2CCCC2)c([N+](=O)[O-])c1 ZINC001156531637 1380589458 /nfs/dbraw/zinc/58/94/58/1380589458.db2.gz PJZFXTZADIEGNC-KRWDZBQOSA-N 0 3 342.399 3.247 20 5 EGBDHN CN1CCC[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001157266791 1380828179 /nfs/dbraw/zinc/82/81/79/1380828179.db2.gz XFKWZEZIMRACAU-FZMZJTMJSA-N 0 3 346.818 3.327 20 5 EGBDHN CCC(C)(C)CC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001158804945 1381406669 /nfs/dbraw/zinc/40/66/69/1381406669.db2.gz GETDNYIZJMNCPT-UHFFFAOYSA-N 0 3 327.450 3.079 20 5 EGBDHN CCOc1cc([N+](=O)[O-])ccc1-n1c2ccccc2nc1[C@H](C)N ZINC001162764984 1382864592 /nfs/dbraw/zinc/86/45/92/1382864592.db2.gz CEYWJNNOKBQUTF-NSHDSACASA-N 0 3 326.356 3.352 20 5 EGBDHN CC(C)(C)C(C)(C)C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001163977684 1383142485 /nfs/dbraw/zinc/14/24/85/1383142485.db2.gz PHTFDMUCMCSBBR-UHFFFAOYSA-N 0 3 341.477 3.325 20 5 EGBDHN COc1ccc(-c2nc(CN[C@@H]3CC[C@H](C[N+](=O)[O-])C3)cs2)cc1 ZINC001168970963 1384074444 /nfs/dbraw/zinc/07/44/44/1384074444.db2.gz JIXXRMIKPJOBTM-GXTWGEPZSA-N 0 3 347.440 3.354 20 5 EGBDHN CCC(CC)(CC)C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001169314474 1384135256 /nfs/dbraw/zinc/13/52/56/1384135256.db2.gz ZLXGDIBSYRJWMT-UHFFFAOYSA-N 0 3 341.477 3.469 20 5 EGBDHN COc1ccc(C[C@@H](C)N2C[C@H]3[C@H](CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC001170335926 1384294322 /nfs/dbraw/zinc/29/43/22/1384294322.db2.gz RFMSTJXFVLIXFR-QKCSRTOESA-N 0 3 326.343 3.121 20 5 EGBDHN CC[C@H](C)[C@@H](C(=O)OC)N(C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921869 1384879635 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20 5 EGBDHN Cc1ccc([C@@H](C)NCCNC(=O)c2ccccc2F)cc1[N+](=O)[O-] ZINC000130912500 223186659 /nfs/dbraw/zinc/18/66/59/223186659.db2.gz KOARKPSFIUMRDT-CYBMUJFWSA-N 0 3 345.374 3.123 20 5 EGBDHN Nc1ccc([N+](=O)[O-])c(NC2CCN(CCc3ccccc3)CC2)c1 ZINC000193384848 240140802 /nfs/dbraw/zinc/14/08/02/240140802.db2.gz RZWNERKLXZJDNJ-UHFFFAOYSA-N 0 3 340.427 3.296 20 5 EGBDHN CC(=O)Nc1cccc([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000193575834 240218254 /nfs/dbraw/zinc/21/82/54/240218254.db2.gz GSRQMVWFSSRGIK-CYBMUJFWSA-N 0 3 343.383 3.283 20 5 EGBDHN CC[C@H](NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000246723752 243301648 /nfs/dbraw/zinc/30/16/48/243301648.db2.gz WXKZYEWNLCYTFB-COXVUDFISA-N 0 3 348.447 3.028 20 5 EGBDHN O=[N+]([O-])c1ccc(Nc2cccc(CN3CCSCC3)c2)nc1 ZINC000078495511 217063731 /nfs/dbraw/zinc/06/37/31/217063731.db2.gz FCBRDHYWRGFXBF-UHFFFAOYSA-N 0 3 330.413 3.282 20 5 EGBDHN CCc1ccc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000266967997 248529804 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EGBDHN C[C@@H](N[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCOC1 ZINC000348146217 141238459 /nfs/dbraw/zinc/23/84/59/141238459.db2.gz ULMBODJWYOSGLM-MBNYWOFBSA-N 0 3 346.387 3.111 20 5 EGBDHN CCN(CCN1CCCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000348153438 141239607 /nfs/dbraw/zinc/23/96/07/141239607.db2.gz YJYJVBVYZSRTBW-UHFFFAOYSA-N 0 3 334.420 3.325 20 5 EGBDHN CCCN(CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1OC ZINC000350724280 141262782 /nfs/dbraw/zinc/26/27/82/141262782.db2.gz JRCNGQSRLSIWEW-CQSZACIVSA-N 0 3 332.404 3.273 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@@H]2Cc2ccccc2Cl)c1 ZINC000172722844 144026497 /nfs/dbraw/zinc/02/64/97/144026497.db2.gz GXHNZIZYMQHXQC-CQSZACIVSA-N 0 3 334.807 3.152 20 5 EGBDHN COc1cc(NCCN(C)Cc2ccccc2)c(F)cc1[N+](=O)[O-] ZINC000351477401 144266404 /nfs/dbraw/zinc/26/64/04/144266404.db2.gz QSDNRKYYORXPQH-UHFFFAOYSA-N 0 3 333.363 3.286 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000245528201 292295011 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COc1ccc(-c2ccc(CNCC[C@@H](C)OC)o2)c([N+](=O)[O-])c1 ZINC000338710131 163326952 /nfs/dbraw/zinc/32/69/52/163326952.db2.gz PBTZJLVZPOKXOM-GFCCVEGCSA-N 0 3 334.372 3.378 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1ccc(Cn2cncn2)cc1 ZINC000338711867 163328036 /nfs/dbraw/zinc/32/80/36/163328036.db2.gz CSILXOMXBNVAMF-HYXAFXHYSA-N 0 3 349.394 3.038 20 5 EGBDHN C[C@H]1[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCN1C ZINC000344318300 164155133 /nfs/dbraw/zinc/15/51/33/164155133.db2.gz AMCHKVKSDLLHSD-GUYCJALGSA-N 0 3 329.400 3.427 20 5 EGBDHN Cc1cc(C(=O)N[C@@H](CN(C)C)c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000359793641 167233813 /nfs/dbraw/zinc/23/38/13/167233813.db2.gz OFRSBWKIWSTQHS-KRWDZBQOSA-N 0 3 345.374 3.075 20 5 EGBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000123016279 222201417 /nfs/dbraw/zinc/20/14/17/222201417.db2.gz PXGRKDGRJVPKNH-LBPRGKRZSA-N 0 3 343.221 3.216 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CNCCCOC(F)F)cs2)c1 ZINC000193667772 266051448 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339.823 3.051 20 5 EGBDHN C[C@H]1C[C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271530226 266681162 /nfs/dbraw/zinc/68/11/62/266681162.db2.gz RGRXJENUZGHBOA-WDEREUQCSA-N 0 3 330.331 3.101 20 5 EGBDHN COc1cc(CN[C@@H]2CSC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000352795764 274094444 /nfs/dbraw/zinc/09/44/44/274094444.db2.gz FFPZPKFLVQNURH-WCBMZHEXSA-N 0 3 348.371 3.046 20 5 EGBDHN CCCNC(=O)CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102423859 275158763 /nfs/dbraw/zinc/15/87/63/275158763.db2.gz PGGBNMXQVUDRTA-UHFFFAOYSA-N 0 3 347.440 3.329 20 5 EGBDHN Nc1ccc(NC[C@H](c2cccs2)N2CCCC2)c([N+](=O)[O-])c1 ZINC000285788857 275912494 /nfs/dbraw/zinc/91/24/94/275912494.db2.gz XHPYIRDWDXRMFA-OAHLLOKOSA-N 0 3 332.429 3.488 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000287148818 276089387 /nfs/dbraw/zinc/08/93/87/276089387.db2.gz GDCQHKBMENVIHK-UHFFFAOYSA-N 0 3 344.415 3.024 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000287232498 276099044 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EGBDHN CC(C)c1ccc(C(=O)N2CC[C@@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000294180984 308197795 /nfs/dbraw/zinc/19/77/95/308197795.db2.gz PBLZDICBIUBJBT-IBGZPJMESA-N 0 3 345.443 3.276 20 5 EGBDHN COc1cc(CNCC(C)(C)c2ccccn2)c([N+](=O)[O-])cc1OC ZINC000294751315 308253078 /nfs/dbraw/zinc/25/30/78/308253078.db2.gz IFYDYFLPJSGNMB-UHFFFAOYSA-N 0 3 345.399 3.074 20 5 EGBDHN C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000295468566 308330026 /nfs/dbraw/zinc/33/00/26/308330026.db2.gz YCVZRUXQPNGNMJ-SUMWQHHRSA-N 0 3 331.416 3.179 20 5 EGBDHN CCOc1cc(CN[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1[N+](=O)[O-] ZINC000295844690 308366000 /nfs/dbraw/zinc/36/60/00/308366000.db2.gz DHVXUWBOIGDVRA-IAOVAPTHSA-N 0 3 332.400 3.041 20 5 EGBDHN C[C@@H]1CN(CCCCNc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000301793487 308715462 /nfs/dbraw/zinc/71/54/62/308715462.db2.gz PGQRNSRCQIZRPU-VXGBXAGGSA-N 0 3 343.374 3.174 20 5 EGBDHN CN(c1ncc([N+](=O)[O-])cc1F)C1CCN(Cc2ccccc2)CC1 ZINC000413140246 309017930 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O=C(Nc1ccc2c(c1)CNC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000449663498 310078570 /nfs/dbraw/zinc/07/85/70/310078570.db2.gz JNLBNJBJGWJZDJ-UHFFFAOYSA-N 0 3 338.367 3.025 20 5 EGBDHN CN1CC[C@@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)[C@@H]2C1 ZINC000450429510 310122053 /nfs/dbraw/zinc/12/20/53/310122053.db2.gz LOROMKAUYNTBTF-CZUORRHYSA-N 0 3 344.440 3.249 20 5 EGBDHN Cc1nc(N2CCN(Cc3ccccc3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450815415 310143773 /nfs/dbraw/zinc/14/37/73/310143773.db2.gz YFYYJQLLTXMEMQ-OAHLLOKOSA-N 0 3 340.427 3.257 20 5 EGBDHN C[C@H](c1ccccc1)[C@H](O)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000450975757 310153072 /nfs/dbraw/zinc/15/30/72/310153072.db2.gz PFRZEGPHQXAXMH-DNVCBOLYSA-N 0 3 328.412 3.234 20 5 EGBDHN O=C(CN[C@H]1CCC12CCCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000451455882 310179191 /nfs/dbraw/zinc/17/91/91/310179191.db2.gz KIXXNCYZCJYZOU-AWEZNQCLSA-N 0 3 337.807 3.499 20 5 EGBDHN Cc1ccc(C[C@@H](CO)N[C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000453451765 310277692 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CCCN(CCN1CCCCCC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000517779850 312393736 /nfs/dbraw/zinc/39/37/36/312393736.db2.gz JZUOIHKJECWHTG-UHFFFAOYSA-N 0 3 347.459 3.252 20 5 EGBDHN Cc1ccc(C[C@@H](CO)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000527505692 312871458 /nfs/dbraw/zinc/87/14/58/312871458.db2.gz DEPJJPFPVHIGQU-WBVHZDCISA-N 0 3 328.412 3.466 20 5 EGBDHN CC[C@H](CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)c1ccccc1 ZINC000536638564 314133387 /nfs/dbraw/zinc/13/33/87/314133387.db2.gz KLEKTLIKTZPUOV-MRXNPFEDSA-N 0 3 340.427 3.306 20 5 EGBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000538380773 314243239 /nfs/dbraw/zinc/24/32/39/314243239.db2.gz PYHQDMBDGKQELJ-CJNGLKHVSA-N 0 3 340.807 3.460 20 5 EGBDHN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000551721001 315165511 /nfs/dbraw/zinc/16/55/11/315165511.db2.gz KRPXZZUGNQNUAX-KBXCAEBGSA-N 0 3 342.395 3.105 20 5 EGBDHN CCC1CCC(N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000552235416 315208023 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Cc1noc(C)c1C(C)(C)NCCCOc1ccc([N+](=O)[O-])cc1 ZINC000285585760 455875836 /nfs/dbraw/zinc/87/58/36/455875836.db2.gz IXWWMZSEDAMLBX-UHFFFAOYSA-N 0 3 333.388 3.493 20 5 EGBDHN Cn1nc(CCNCc2ccc([N+](=O)[O-])cc2Cl)c2ccccc21 ZINC000187390242 455904561 /nfs/dbraw/zinc/90/45/61/455904561.db2.gz QKRQYGFXCJNIGM-UHFFFAOYSA-N 0 3 344.802 3.467 20 5 EGBDHN COc1cc(CN[C@H]2CC=CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272440161 455951949 /nfs/dbraw/zinc/95/19/49/455951949.db2.gz OMMJAWSZOPODMI-LBPRGKRZSA-N 0 3 342.342 3.446 20 5 EGBDHN Cc1cc(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000195694604 455994349 /nfs/dbraw/zinc/99/43/49/455994349.db2.gz BJLXDKIKXLSGIF-ZDUSSCGKSA-N 0 3 333.432 3.144 20 5 EGBDHN C[S@](=O)C1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000280712027 456036125 /nfs/dbraw/zinc/03/61/25/456036125.db2.gz UEKLDFUQDVNHSJ-DEOSSOPVSA-N 0 3 348.424 3.246 20 5 EGBDHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])CC1 ZINC000272875603 456097305 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EGBDHN COc1cc(NC[C@@H](c2ccccc2)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000301855975 456233337 /nfs/dbraw/zinc/23/33/37/456233337.db2.gz IKUYUQBUGDFQGQ-INIZCTEOSA-N 0 3 333.363 3.457 20 5 EGBDHN CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CCN1Cc1ccccc1 ZINC000302171409 456306566 /nfs/dbraw/zinc/30/65/66/456306566.db2.gz UWODFFXYLAHNJI-KRWDZBQOSA-N 0 3 340.427 3.399 20 5 EGBDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000340333163 456394698 /nfs/dbraw/zinc/39/46/98/456394698.db2.gz RYQDQOIYNGMJBB-UHFFFAOYSA-N 0 3 331.347 3.356 20 5 EGBDHN Cc1cc(CN(C)C)cc(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000340335324 456398332 /nfs/dbraw/zinc/39/83/32/456398332.db2.gz BCCNPHFOGURYPX-UHFFFAOYSA-N 0 3 331.347 3.356 20 5 EGBDHN CN(C)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)Cc1ccccc1 ZINC000302819997 456409808 /nfs/dbraw/zinc/40/98/08/456409808.db2.gz CWKKLVSWNTZQEJ-HNNXBMFYSA-N 0 3 340.427 3.148 20 5 EGBDHN C[C@H](N[C@H]1CCC[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000282178770 456434283 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CCOC(=O)N[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000125527841 1293510300 /nfs/dbraw/zinc/51/03/00/1293510300.db2.gz VHHUKLURHWQYFE-DZGCQCFKSA-N 0 3 337.420 3.406 20 5 EGBDHN Cc1cc(F)ncc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870455423 1295882065 /nfs/dbraw/zinc/88/20/65/1295882065.db2.gz ZJVJHMVBNJCEOZ-BONVTDFDSA-N 0 3 336.294 3.232 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCNc1ccccn1 ZINC000872039017 1296688985 /nfs/dbraw/zinc/68/89/85/1296688985.db2.gz QUSIDHGNVMIRDF-GFCCVEGCSA-N 0 3 332.429 3.474 20 5 EGBDHN COCCOC[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872049848 1296701203 /nfs/dbraw/zinc/70/12/03/1296701203.db2.gz VFPSKFBBGVRJGE-VXGBXAGGSA-N 0 3 328.434 3.019 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCc1nnc(C)s1 ZINC000872073872 1296719998 /nfs/dbraw/zinc/71/99/98/1296719998.db2.gz WGOXEXLJWCFXQW-VIFPVBQESA-N 0 3 338.458 3.370 20 5 EGBDHN CN(C)CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000746278669 1298562894 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CC(C)(C)Oc1cc(NC[C@H]2CN3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000785797032 1305436607 /nfs/dbraw/zinc/43/66/07/1305436607.db2.gz TZMWJQBCNXJCNM-GJZGRUSLSA-N 0 3 349.431 3.047 20 5 EGBDHN COc1c([O-])ccc(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)c1[N+](=O)[O-] ZINC000894258196 1306306172 /nfs/dbraw/zinc/30/61/72/1306306172.db2.gz LJWUWAAKLFDJES-CQSZACIVSA-N 0 3 348.786 3.219 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)c1[N+](=O)[O-] ZINC000895181475 1309226639 /nfs/dbraw/zinc/22/66/39/1309226639.db2.gz WZRAIGIVMQJPFB-SNVBAGLBSA-N 0 3 349.214 3.373 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC2(CC1)C[C@H](O)CCO2 ZINC000897260088 1310250739 /nfs/dbraw/zinc/25/07/39/1310250739.db2.gz XVXMHUUTVGBHSA-VHUCWBOISA-N 0 3 346.427 3.004 20 5 EGBDHN CCOc1cc(CN2CC[C@@H](c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC000799190315 1310502159 /nfs/dbraw/zinc/50/21/59/1310502159.db2.gz OPKYSAHYRURGTE-OAHLLOKOSA-N 0 3 327.384 3.378 20 5 EGBDHN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@H](Cc1ccccc1)N(C)C ZINC000807916721 1317601240 /nfs/dbraw/zinc/60/12/40/1317601240.db2.gz BAYMBRMTUWQEHF-KRWDZBQOSA-N 0 3 341.411 3.382 20 5 EGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CN[C@H]1CCc2c[nH]nc2C1 ZINC000811483986 1318183466 /nfs/dbraw/zinc/18/34/66/1318183466.db2.gz SYCCHPLHAKSUSE-NSHDSACASA-N 0 3 341.198 3.272 20 5 EGBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1NC(=O)c1ccccc1 ZINC000813105773 1318499866 /nfs/dbraw/zinc/49/98/66/1318499866.db2.gz UJQXWXTZGPSYMH-CYBMUJFWSA-N 0 3 342.351 3.069 20 5 EGBDHN CC(COC(=O)c1ccc(-c2nc3ccccc3s2)o1)[N+](=O)[O-] ZINC000813114247 1318502500 /nfs/dbraw/zinc/50/25/00/1318502500.db2.gz OHMJBLZEKNSQHZ-VIFPVBQESA-N 0 3 332.337 3.378 20 5 EGBDHN C[C@H](NCc1ccc(-n2cccn2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559324 1319014024 /nfs/dbraw/zinc/01/40/24/1319014024.db2.gz DOEHGVKJGOCXSP-ZDUSSCGKSA-N 0 3 337.383 3.214 20 5 EGBDHN CCCCCn1cc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000819201324 1319666466 /nfs/dbraw/zinc/66/64/66/1319666466.db2.gz NBRRXSREFYEGKY-GOSISDBHSA-N 0 3 346.431 3.113 20 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1321748591 /nfs/dbraw/zinc/74/85/91/1321748591.db2.gz OBEDGYSBJMXQLT-IIYDPXPESA-N 0 3 339.363 3.425 20 5 EGBDHN CC([C@H](OC(=O)[C@@H]1Cc2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC000845875012 1321748707 /nfs/dbraw/zinc/74/87/07/1321748707.db2.gz JNRIUFAVWTUNBC-JGFGOQIWSA-N 0 3 329.327 3.415 20 5 EGBDHN COC1(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CCC1 ZINC000845877729 1321749254 /nfs/dbraw/zinc/74/92/54/1321749254.db2.gz GLZVVJHITPQDRD-ABAIWWIYSA-N 0 3 325.336 3.034 20 5 EGBDHN CC[C@H](C)[C@H](OC)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883515 1321750056 /nfs/dbraw/zinc/75/00/56/1321750056.db2.gz UFJLYPLWOQXADN-IDTSFGKNSA-N 0 3 327.352 3.136 20 5 EGBDHN CC([C@H](OC(=O)C1Cc2ccccc2C1)c1ccccc1F)[N+](=O)[O-] ZINC000845884390 1321750799 /nfs/dbraw/zinc/75/07/99/1321750799.db2.gz YUHCJDWVIPMWMN-SGTLLEGYSA-N 0 3 343.354 3.490 20 5 EGBDHN C[C@@H](COC(=O)CSc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000847958297 1321915964 /nfs/dbraw/zinc/91/59/64/1321915964.db2.gz GZWAXQJFYLPSQL-ZDUSSCGKSA-N 0 3 338.429 3.105 20 5 EGBDHN CC([C@H](OC(=O)[C@@H]1C[C@H]1OC(C)(C)C)c1ccccc1F)[N+](=O)[O-] ZINC000851108994 1322335761 /nfs/dbraw/zinc/33/57/61/1322335761.db2.gz UGMJTLYTUKCMJF-BTQDYEIMSA-N 0 3 339.363 3.279 20 5 EGBDHN O=[N+]([O-])c1cc(C(F)(F)F)cnc1OC1CCN(C2CC2)CC1 ZINC001225845707 1375163373 /nfs/dbraw/zinc/16/33/73/1375163373.db2.gz GUWWDHDHFRZZAF-UHFFFAOYSA-N 0 3 331.294 3.014 20 5 EGBDHN C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395779 1375826747 /nfs/dbraw/zinc/82/67/47/1375826747.db2.gz LVUUBBBVFNYPGF-DZGCQCFKSA-N 0 3 343.383 3.300 20 5 EGBDHN C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395779 1375826751 /nfs/dbraw/zinc/82/67/51/1375826751.db2.gz LVUUBBBVFNYPGF-DZGCQCFKSA-N 0 3 343.383 3.300 20 5 EGBDHN C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229395779 1375826754 /nfs/dbraw/zinc/82/67/54/1375826754.db2.gz LVUUBBBVFNYPGF-DZGCQCFKSA-N 0 3 343.383 3.300 20 5 EGBDHN 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340.811 3.052 20 5 EGBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCCCO1 ZINC000264175520 246141026 /nfs/dbraw/zinc/14/10/26/246141026.db2.gz JAQIMHIXVPTNRW-MRXNPFEDSA-N 0 3 345.399 3.293 20 5 EGBDHN COc1ccc(OCCN(C)[C@@H](C)c2ccncc2)c([N+](=O)[O-])c1 ZINC000091989462 218100390 /nfs/dbraw/zinc/10/03/90/218100390.db2.gz HLPNIPHSRZTRKR-ZDUSSCGKSA-N 0 3 331.372 3.070 20 5 EGBDHN CC(C)n1cnnc1[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000118860855 221198982 /nfs/dbraw/zinc/19/89/82/221198982.db2.gz KIYKCCKIRDKIAH-INIZCTEOSA-N 0 3 343.431 3.189 20 5 EGBDHN C[C@H](CN1CCCCCC1)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356250071 141328366 /nfs/dbraw/zinc/32/83/66/141328366.db2.gz HTDHMQBTXQTGCS-CYBMUJFWSA-N 0 3 344.415 3.070 20 5 EGBDHN O=[N+]([O-])c1cc(CNCCN2CCC2)ccc1Oc1ccc(F)cc1 ZINC000344849462 144230843 /nfs/dbraw/zinc/23/08/43/144230843.db2.gz RCZOGSLGKJZHMJ-UHFFFAOYSA-N 0 3 345.374 3.322 20 5 EGBDHN CN(c1ccccc1)c1ccc(CN[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000344851402 144231489 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IMFIFZCZIVVUNG-UHFFFAOYSA-N 0 3 345.443 3.466 20 5 EGBDHN NC(=O)C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000158603944 225051610 /nfs/dbraw/zinc/05/16/10/225051610.db2.gz ANTQMWOQWMBCTK-UHFFFAOYSA-N 0 3 345.424 3.021 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN[C@@H](Cc2ccccc2)c2ccccc2)n1 ZINC000176196238 265163206 /nfs/dbraw/zinc/16/32/06/265163206.db2.gz IPOQDLUPUXOMMN-SFHVURJKSA-N 0 3 336.395 3.365 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN3CCCC[C@@H]23)c(Br)c1 ZINC000221427512 266195953 /nfs/dbraw/zinc/19/59/53/266195953.db2.gz YPEQVIPLUQNWJV-KGLIPLIRSA-N 0 3 340.221 3.396 20 5 EGBDHN C[C@@H](NC(=O)[C@H]1CCCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000269741429 266351335 /nfs/dbraw/zinc/35/13/35/266351335.db2.gz XCYBKFXIDGCKPK-CXAGYDPISA-N 0 3 331.416 3.179 20 5 EGBDHN C[C@](O)(CNCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000270231884 266438904 /nfs/dbraw/zinc/43/89/04/266438904.db2.gz AIIOQUQGBBXTCD-INIZCTEOSA-N 0 3 338.766 3.385 20 5 EGBDHN Cc1cc(CN(C)C)cc(NC(=O)CNc2ccccc2[N+](=O)[O-])c1 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O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000294681394 308245395 /nfs/dbraw/zinc/24/53/95/308245395.db2.gz BPKGVXIUUXXLOP-DZGCQCFKSA-N 0 3 341.415 3.091 20 5 EGBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NCc1nnc(C2CC2)[nH]1 ZINC000294681394 308245396 /nfs/dbraw/zinc/24/53/96/308245396.db2.gz BPKGVXIUUXXLOP-DZGCQCFKSA-N 0 3 341.415 3.091 20 5 EGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295079375 308288978 /nfs/dbraw/zinc/28/89/78/308288978.db2.gz BAFMRXGOAFGZJI-UONOGXRCSA-N 0 3 333.432 3.269 20 5 EGBDHN C[C@H](CCCNC(=O)OC(C)(C)C)NCc1csc([N+](=O)[O-])c1 ZINC000295179745 308300135 /nfs/dbraw/zinc/30/01/35/308300135.db2.gz VMKCVJQDRRAMLN-LLVKDONJSA-N 0 3 343.449 3.439 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000297438222 308533790 /nfs/dbraw/zinc/53/37/90/308533790.db2.gz VXJLBJMXMVHGIO-DYVFJYSZSA-N 0 3 332.375 3.297 20 5 EGBDHN C[C@@H]1CN(CCCCNc2cccc(F)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301724690 308712683 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Cc1cnc(N2CCCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000266209374 455425158 /nfs/dbraw/zinc/42/51/58/455425158.db2.gz MECDWGDNSDXLSF-UHFFFAOYSA-N 0 3 326.400 3.011 20 5 EGBDHN Cc1c([C@H](C)NCCCN2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000119917947 454235419 /nfs/dbraw/zinc/23/54/19/454235419.db2.gz DRFVMXBQJXHBTQ-FMKPAKJESA-N 0 3 335.448 3.053 20 5 EGBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccsc1 ZINC000046940393 454304809 /nfs/dbraw/zinc/30/48/09/454304809.db2.gz CQZPWCYEBXTSHG-LBPRGKRZSA-N 0 3 337.401 3.062 20 5 EGBDHN C[C@H](c1ccccc1)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000061171321 454330159 /nfs/dbraw/zinc/33/01/59/454330159.db2.gz ZXGYZTPCCIBOTB-RHSMWYFYSA-N 0 3 330.384 3.028 20 5 EGBDHN CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cccnc1 ZINC000132577777 454349965 /nfs/dbraw/zinc/34/99/65/454349965.db2.gz KVQBCBBYZWPPRT-UHFFFAOYSA-N 0 3 338.367 3.319 20 5 EGBDHN CN(C)CCOc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000072928791 454364364 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O=[N+]([O-])c1ccccc1/C=C/CN(CCO)CCc1ccccc1 ZINC000093389564 454711744 /nfs/dbraw/zinc/71/17/44/454711744.db2.gz XKJDHRSAQUOUSD-UXBLZVDNSA-N 0 3 326.396 3.145 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3CCCC[C@@H]3O)o2)c1 ZINC000124310548 454716961 /nfs/dbraw/zinc/71/69/61/454716961.db2.gz NKVAEEIBYAPTSH-PBHICJAKSA-N 0 3 330.384 3.496 20 5 EGBDHN C[C@@H](NCc1cccc(OCCN(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000162584021 454785868 /nfs/dbraw/zinc/78/58/68/454785868.db2.gz HKBIXWNLLWNATK-OAHLLOKOSA-N 0 3 343.427 3.386 20 5 EGBDHN CC(C)N(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000108364333 454795046 /nfs/dbraw/zinc/79/50/46/454795046.db2.gz VXJVNHCKIOQWHH-UHFFFAOYSA-N 0 3 331.416 3.137 20 5 EGBDHN C[C@@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000151062138 454932109 /nfs/dbraw/zinc/93/21/09/454932109.db2.gz DMBWARSISKHDJT-PBHICJAKSA-N 0 3 345.443 3.427 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H](C)c1ccncc1 ZINC000127457770 454967315 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Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)COc1ccc(F)cc1 ZINC000152559625 455135927 /nfs/dbraw/zinc/13/59/27/455135927.db2.gz MKKMIRHUNRNOQM-XJKSGUPXSA-N 0 3 348.374 3.133 20 5 EGBDHN Cc1c(NC(=O)N2CCCN(C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000172443775 455154614 /nfs/dbraw/zinc/15/46/14/455154614.db2.gz YKRBQZKPLJKNLQ-UHFFFAOYSA-N 0 3 346.431 3.385 20 5 EGBDHN CCOc1ccc([C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000245510507 455318702 /nfs/dbraw/zinc/31/87/02/455318702.db2.gz WJTAXYZHMRESAC-OUENDJJVSA-N 0 3 334.416 3.458 20 5 EGBDHN CSC[C@](C)(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000265675719 455360265 /nfs/dbraw/zinc/36/02/65/455360265.db2.gz HQYAUMGANSPDPT-MRXNPFEDSA-N 0 3 336.413 3.058 20 5 EGBDHN Cc1ccc(CN2CCC[C@@H](Cc3nccn3C)C2)cc1[N+](=O)[O-] ZINC000182091372 455434406 /nfs/dbraw/zinc/43/44/06/455434406.db2.gz PYUMJTHMVLPJJH-HNNXBMFYSA-N 0 3 328.416 3.091 20 5 EGBDHN Cc1cccc(C[C@@H](CO)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000191602979 455502563 /nfs/dbraw/zinc/50/25/63/455502563.db2.gz CCSCMEXRDQVASI-RDJZCZTQSA-N 0 3 328.412 3.466 20 5 EGBDHN COc1ccc(NC(=O)CN2C[C@H](C)[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000182507651 455529229 /nfs/dbraw/zinc/52/92/29/455529229.db2.gz CEMNFJMUQRRRFI-BJJXKVORSA-N 0 3 347.415 3.052 20 5 EGBDHN CC(=O)Nc1cccc([C@H](C)NCCOc2cccc([N+](=O)[O-])c2)c1 ZINC000182531992 455534822 /nfs/dbraw/zinc/53/48/22/455534822.db2.gz HFXICOSNGHGFHS-ZDUSSCGKSA-N 0 3 343.383 3.283 20 5 EGBDHN O=[N+]([O-])c1cc(CN2CC[C@@H]3CCCC[C@H]3C2)c2c(c1)COCO2 ZINC000247331280 455588885 /nfs/dbraw/zinc/58/88/85/455588885.db2.gz OWNFGBDPRXJRJZ-KBPBESRZSA-N 0 3 332.400 3.473 20 5 EGBDHN CN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ncc([N+](=O)[O-])s1 ZINC000192471877 455624800 /nfs/dbraw/zinc/62/48/00/455624800.db2.gz HBNWZUFRDKCWOE-AWEZNQCLSA-N 0 3 332.429 3.010 20 5 EGBDHN CN(CCN(C)C1CC1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000186800338 455838538 /nfs/dbraw/zinc/83/85/38/455838538.db2.gz LTFGPKRXSSAFRY-UHFFFAOYSA-N 0 3 333.432 3.059 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000194673995 455872003 /nfs/dbraw/zinc/87/20/03/455872003.db2.gz NEZAFJMAENUZNT-HNNXBMFYSA-N 0 3 341.411 3.154 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)nc1 ZINC000286330709 456025406 /nfs/dbraw/zinc/02/54/06/456025406.db2.gz LNBCFIDENLXIPA-LJQANCHMSA-N 0 3 338.411 3.092 20 5 EGBDHN CN(C(=O)[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000281140227 456145713 /nfs/dbraw/zinc/14/57/13/456145713.db2.gz OTQXSCDXDWGBFY-MRXNPFEDSA-N 0 3 339.395 3.080 20 5 EGBDHN COCCO[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000188823622 456146211 /nfs/dbraw/zinc/14/62/11/456146211.db2.gz ICPLJODDMFGUMI-INIZCTEOSA-N 0 3 346.383 3.092 20 5 EGBDHN Cc1ccnc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301616114 456163597 /nfs/dbraw/zinc/16/35/97/456163597.db2.gz JNICILJSFBBSOS-HOCLYGCPSA-N 0 3 326.400 3.373 20 5 EGBDHN CC[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000273147488 456192289 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Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000282163019 456430413 /nfs/dbraw/zinc/43/04/13/456430413.db2.gz DFGVVLSNRHOXRF-OAHLLOKOSA-N 0 3 343.431 3.041 20 5 EGBDHN O=C(CN1CCC[C@H]2CCCC[C@H]21)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000302914127 456436162 /nfs/dbraw/zinc/43/61/62/456436162.db2.gz UVFZYYROAAFLMJ-RHSMWYFYSA-N 0 3 343.427 3.139 20 5 EGBDHN C[C@@H]1CC[C@H](C)N1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000340503881 456497238 /nfs/dbraw/zinc/49/72/38/456497238.db2.gz ONXGOHMXZHOMBC-FRRDWIJNSA-N 0 3 337.445 3.134 20 5 EGBDHN Cc1nnc(CCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)s1 ZINC000291150851 456545718 /nfs/dbraw/zinc/54/57/18/456545718.db2.gz OZVYVCYJTKTUNC-UHFFFAOYSA-N 0 3 329.385 3.266 20 5 EGBDHN C[C@H](NCc1ccccc1Cn1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000337806228 456558583 /nfs/dbraw/zinc/55/85/83/456558583.db2.gz HVHQACPMVXFSCT-AWEZNQCLSA-N 0 3 337.383 3.085 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCO[C@@H]1c1ccnn1C(C)C ZINC000343399396 456593547 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CN(CCCN(C)Cc1ccc([N+](=O)[O-])cc1F)Cc1ccco1 ZINC000353544730 456748522 /nfs/dbraw/zinc/74/85/22/456748522.db2.gz QFERSXMCGNBDOE-UHFFFAOYSA-N 0 3 335.379 3.281 20 5 EGBDHN CN(C)[C@]1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCSC1 ZINC000338297853 456756888 /nfs/dbraw/zinc/75/68/88/456756888.db2.gz YSZUFUZTTRCSTM-ZDUSSCGKSA-N 0 3 349.378 3.463 20 5 EGBDHN C[C@@H](c1cccc(O)c1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283363944 456765466 /nfs/dbraw/zinc/76/54/66/456765466.db2.gz RTTSGACYLXTGCQ-ZDUSSCGKSA-N 0 3 343.383 3.322 20 5 EGBDHN COc1ccc(-c2ccc(CN(C)[C@H]3CCC[C@@H]3O)o2)c([N+](=O)[O-])c1 ZINC000348562735 456767873 /nfs/dbraw/zinc/76/78/73/456767873.db2.gz ZYZSVDNNCMUVJF-RDJZCZTQSA-N 0 3 346.383 3.209 20 5 EGBDHN Cc1cc(NC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000338352300 456782067 /nfs/dbraw/zinc/78/20/67/456782067.db2.gz GMQUZKCKSIUPDJ-OCCSQVGLSA-N 0 3 334.420 3.145 20 5 EGBDHN COc1cc(CN(C)CCc2cccc([N+](=O)[O-])c2)cc2c1OCO2 ZINC000338955730 456876439 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344.367 3.096 20 5 EGBDHN Cc1cc(N2C[C@H](C)N(Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000499641271 459643174 /nfs/dbraw/zinc/64/31/74/459643174.db2.gz AZJURUPJHAIUBP-JKSUJKDBSA-N 0 3 340.427 3.397 20 5 EGBDHN CO[C@@H](CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCOCC1 ZINC000602438071 459937744 /nfs/dbraw/zinc/93/77/44/459937744.db2.gz AIRMQQFBEAECOV-SFHVURJKSA-N 0 3 334.416 3.001 20 5 EGBDHN COc1ccc2c(c1)OCC[C@@H]2NCCc1ccc([N+](=O)[O-])cc1 ZINC000602560269 459997895 /nfs/dbraw/zinc/99/78/95/459997895.db2.gz YUYXTVAPZAUVRK-KRWDZBQOSA-N 0 3 328.368 3.259 20 5 EGBDHN COCC1(NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 ZINC000575769911 460001982 /nfs/dbraw/zinc/00/19/82/460001982.db2.gz RNCQYIJLKOKOQI-UHFFFAOYSA-N 0 3 346.383 3.140 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000602783499 460122590 /nfs/dbraw/zinc/12/25/90/460122590.db2.gz ZWBUJVTYUJPGHC-IUODEOHRSA-N 0 3 332.379 3.117 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000602784508 460124493 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Cc1c([C@@H](C)NCCN(C)C(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000158666801 1294210904 /nfs/dbraw/zinc/21/09/04/1294210904.db2.gz WOUWPTFKBCJCGG-CYBMUJFWSA-N 0 3 337.420 3.421 20 5 EGBDHN CCOC(=O)N[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000178643788 1294748701 /nfs/dbraw/zinc/74/87/01/1294748701.db2.gz MXJNERSYNMNZSF-DZGCQCFKSA-N 0 3 337.420 3.406 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)CC[S@](C)=O ZINC000872047943 1296698620 /nfs/dbraw/zinc/69/86/20/1296698620.db2.gz DXBGJOIWVHFBAQ-NNOLRYQLSA-N 0 3 330.475 3.124 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC[C@H](O)c1c(F)cccc1F ZINC000873058428 1297252217 /nfs/dbraw/zinc/25/22/17/1297252217.db2.gz FRWZKFSUHFEVOQ-INIZCTEOSA-N 0 3 336.338 3.313 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2ccccc2OC(F)F)c1 ZINC000749663257 1299252947 /nfs/dbraw/zinc/25/29/47/1299252947.db2.gz OFXSOHJRWJFDIF-AWEZNQCLSA-N 0 3 338.310 3.019 20 5 EGBDHN CC(C)COc1ccccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749693854 1299257515 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20 5 EGBDHN COCc1ccc([C@H]2CCCN2C[C@H](O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000767936159 1302788346 /nfs/dbraw/zinc/78/83/46/1302788346.db2.gz ZYKADNKXDQHMKG-SJORKVTESA-N 0 3 346.383 3.205 20 5 EGBDHN CC(C)(C)OCC(=N)NOCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000768928845 1303016009 /nfs/dbraw/zinc/01/60/09/1303016009.db2.gz AZEMZVAEBXUEBW-UHFFFAOYSA-N 0 3 348.359 3.063 20 5 EGBDHN C[C@H](CNC(=O)OC(C)(C)C)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774354899 1303801498 /nfs/dbraw/zinc/80/14/98/1303801498.db2.gz GHXMQJWYTCYZDF-MLGOLLRUSA-N 0 3 349.431 3.475 20 5 EGBDHN CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])c(Cl)c2)[C@@]12CCCO2 ZINC000783674640 1305126144 /nfs/dbraw/zinc/12/61/44/1305126144.db2.gz ZUSLTEMHCFXIKT-XHSDSOJGSA-N 0 3 340.807 3.064 20 5 EGBDHN CC(C)(C)Oc1cc(NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000785797035 1305436315 /nfs/dbraw/zinc/43/63/15/1305436315.db2.gz TZMWJQBCNXJCNM-HUUCEWRRSA-N 0 3 349.431 3.047 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(CCO)cc1)CCC2 ZINC000903402697 1317696535 /nfs/dbraw/zinc/69/65/35/1317696535.db2.gz GJWWLMRLVHNFIE-IBGZPJMESA-N 0 3 326.396 3.297 20 5 EGBDHN Cc1noc(CCCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC000811480599 1318181719 /nfs/dbraw/zinc/18/17/19/1318181719.db2.gz ZQKJHBVGDFWANH-UHFFFAOYSA-N 0 3 345.186 3.315 20 5 EGBDHN Cc1nc2cc(C(=O)OCC(C)[N+](=O)[O-])ccc2n1-c1ccccc1 ZINC000813115762 1318502779 /nfs/dbraw/zinc/50/27/79/1318502779.db2.gz ZGLSWAUNLBNRQP-LBPRGKRZSA-N 0 3 339.351 3.156 20 5 EGBDHN CC(COC(=O)c1ccc(Oc2ccccc2Cl)nc1)[N+](=O)[O-] ZINC000813113047 1318502838 /nfs/dbraw/zinc/50/28/38/1318502838.db2.gz WXGZPNXUUMLHRX-JTQLQIEISA-N 0 3 336.731 3.349 20 5 EGBDHN CCN1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910278946 1318594066 /nfs/dbraw/zinc/59/40/66/1318594066.db2.gz HFMZUZJGGDLVNL-AWEZNQCLSA-N 0 3 333.432 3.275 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000824376652 1320253001 /nfs/dbraw/zinc/25/30/01/1320253001.db2.gz SGMFLSVAFSJYKI-LSDHHAIUSA-N 0 3 349.456 3.063 20 5 EGBDHN C[C@H]1C[C@@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2nccn21 ZINC000825017604 1320304443 /nfs/dbraw/zinc/30/44/43/1320304443.db2.gz VUEARLQCZJCLRR-SUMWQHHRSA-N 0 3 341.415 3.056 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2CCCCN2C(C)C)c1 ZINC000837466620 1320623612 /nfs/dbraw/zinc/62/36/12/1320623612.db2.gz AOYOKWDXGHODHD-CYBMUJFWSA-N 0 3 336.388 3.023 20 5 EGBDHN Cc1cc(OCc2ccccc2)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000838963860 1320843951 /nfs/dbraw/zinc/84/39/51/1320843951.db2.gz CZYWLTZDAZFOPF-LLVKDONJSA-N 0 3 335.381 3.458 20 5 EGBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)CC2 ZINC000840409297 1321087632 /nfs/dbraw/zinc/08/76/32/1321087632.db2.gz IILZFLXZTPEAJZ-MJBXVCDLSA-N 0 3 331.416 3.054 20 5 EGBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000843753044 1321543980 /nfs/dbraw/zinc/54/39/80/1321543980.db2.gz IXHUVGVGFVNXPH-MRXNPFEDSA-N 0 3 345.374 3.075 20 5 EGBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000843766349 1321545538 /nfs/dbraw/zinc/54/55/38/1321545538.db2.gz OYHXCJPZCOFUJE-VXGBXAGGSA-N 0 3 337.395 3.035 20 5 EGBDHN CC([C@@H](OC(=O)CCc1cscn1)c1ccccc1F)[N+](=O)[O-] ZINC000845874815 1321748007 /nfs/dbraw/zinc/74/80/07/1321748007.db2.gz ISGKMWKQPMZJJZ-MEBBXXQBSA-N 0 3 338.360 3.165 20 5 EGBDHN CC(C)COCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845879374 1321750570 /nfs/dbraw/zinc/75/05/70/1321750570.db2.gz XCDSBRRWQGSRRJ-BLLLJJGKSA-N 0 3 327.352 3.138 20 5 EGBDHN CC(C)OC(=O)C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000847083138 1321839558 /nfs/dbraw/zinc/83/95/58/1321839558.db2.gz MSLLGGKBIPQSEZ-AWEZNQCLSA-N 0 3 326.368 3.190 20 5 EGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@H]2C=CCC2)c1 ZINC000850359554 1322233332 /nfs/dbraw/zinc/23/33/32/1322233332.db2.gz KKOPQRMVFTZSHG-NSHDSACASA-N 0 3 344.152 3.008 20 5 EGBDHN C[C@H](NC[C@H](O)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000850583994 1322274478 /nfs/dbraw/zinc/27/44/78/1322274478.db2.gz PMCSECBBLVFQRP-VFZGTOFNSA-N 0 3 340.301 3.396 20 5 EGBDHN CC([C@@H](OC(=O)CCCc1cccnc1)c1ccccc1F)[N+](=O)[O-] ZINC000851108028 1322336096 /nfs/dbraw/zinc/33/60/96/1322336096.db2.gz IATRNVVWYMRNQX-SCLBCKFNSA-N 0 3 346.358 3.493 20 5 EGBDHN COc1ccc(OCCN[C@@H](c2ccccn2)C2CC2)c([N+](=O)[O-])c1 ZINC000932377070 1329809901 /nfs/dbraw/zinc/80/99/01/1329809901.db2.gz HDESMFQTZIEDIZ-GOSISDBHSA-N 0 3 343.383 3.118 20 5 EGBDHN CN(Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)C2CCC2)CC1 ZINC001029923546 1341121339 /nfs/dbraw/zinc/12/13/39/1341121339.db2.gz LFHWCHLXIPGVTC-UHFFFAOYSA-N 0 3 345.443 3.065 20 5 EGBDHN CC(C)=CC(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001115392500 1370429281 /nfs/dbraw/zinc/42/92/81/1370429281.db2.gz YTZBOTPTJDRFLT-UHFFFAOYSA-N 0 3 345.443 3.470 20 5 EGBDHN C[C@@H]1CN[C@@H](C)[C@@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001122263418 1372216157 /nfs/dbraw/zinc/21/61/57/1372216157.db2.gz JHMVDEYGTWFZIZ-OUAUKWLOSA-N 0 3 333.413 3.020 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)c(Cl)cc1O[C@H]1CNCCC1(F)F ZINC001218449303 1373614766 /nfs/dbraw/zinc/61/47/66/1373614766.db2.gz TVQDKGCTKDUPLD-JTQLQIEISA-N 0 3 327.114 3.278 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(O[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001226442497 1375259583 /nfs/dbraw/zinc/25/95/83/1375259583.db2.gz CJAPBOZKOTXEOL-MRXNPFEDSA-N 0 3 328.368 3.257 20 5 EGBDHN CC(C)N1CCC[C@@H](Oc2ccc(Br)nc2[N+](=O)[O-])C1 ZINC001227261310 1375413610 /nfs/dbraw/zinc/41/36/10/1375413610.db2.gz ZFBFWGXPWPOXJD-SNVBAGLBSA-N 0 3 344.209 3.004 20 5 EGBDHN COCCN1CCC(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC001228204304 1375527455 /nfs/dbraw/zinc/52/74/55/1375527455.db2.gz KDNNYPOSLVJSLQ-UHFFFAOYSA-N 0 3 349.214 3.391 20 5 EGBDHN Nc1ccc2n(C(=O)CCN3CCCCC3)c3ccccc3cc-2c1=O ZINC001142919124 1378509455 /nfs/dbraw/zinc/50/94/55/1378509455.db2.gz JDKXSFHRSTYECC-UHFFFAOYSA-N 0 3 349.434 3.205 20 5 EGBDHN C[C@@H](N)c1nc2ccccc2n1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001162762469 1382862746 /nfs/dbraw/zinc/86/27/46/1382862746.db2.gz HZHNZQFNBMVNNV-LLVKDONJSA-N 0 3 337.383 3.227 20 5 EGBDHN O=[N+]([O-])c1cccc2c1ccnc2N[C@H]1CNCc2ccsc21 ZINC001163220259 1382995362 /nfs/dbraw/zinc/99/53/62/1382995362.db2.gz NJCCEEZYLYRHRB-ZDUSSCGKSA-N 0 3 326.381 3.461 20 5 EGBDHN CC(C)c1ccoc1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001164492131 1383193240 /nfs/dbraw/zinc/19/32/40/1383193240.db2.gz VPIGEZJFERQRDS-UHFFFAOYSA-N 0 3 345.399 3.221 20 5 EGBDHN O=C(CN[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001168983651 1384079576 /nfs/dbraw/zinc/07/95/76/1384079576.db2.gz KHCRKZJCWQISQT-ONGXEEELSA-N 0 3 331.199 3.211 20 5 EGBDHN COc1ccc(C[C@H](C)N[C@H](C)c2ccc(F)cn2)c([N+](=O)[O-])c1 ZINC001170307465 1384287296 /nfs/dbraw/zinc/28/72/96/1384287296.db2.gz GEHWQCHXICEISD-NWDGAFQWSA-N 0 3 333.363 3.419 20 5 EGBDHN COc1ccc(C[C@H](C)NCc2cccc(OC)c2F)c([N+](=O)[O-])c1 ZINC001170317285 1384289472 /nfs/dbraw/zinc/28/94/72/1384289472.db2.gz DVUHULBXUGKUQM-LBPRGKRZSA-N 0 3 348.374 3.472 20 5 EGBDHN COc1ccc(C[C@@H](C)NCc2cn(C(C)C)cn2)c([N+](=O)[O-])c1 ZINC001170321349 1384290904 /nfs/dbraw/zinc/29/09/04/1384290904.db2.gz AQILHDDPYDFILK-CYBMUJFWSA-N 0 3 332.404 3.102 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@H](C)c2ccccn2)c1F ZINC001173176647 1384931733 /nfs/dbraw/zinc/93/17/33/1384931733.db2.gz LEPPERHNENZPHR-NWDGAFQWSA-N 0 3 333.363 3.419 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N(C)C[C@@H]2CCCCO2)c1F ZINC001173190487 1384933465 /nfs/dbraw/zinc/93/34/65/1384933465.db2.gz TVXBNUFEDFORQJ-STQMWFEESA-N 0 3 340.395 3.174 20 5 EGBDHN COc1ccc2c(c1)c(CN)nn2[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229197 1384940782 /nfs/dbraw/zinc/94/07/82/1384940782.db2.gz LVWNTGJACHLNIP-LBPRGKRZSA-N 0 3 340.383 3.216 20 5 EGBDHN CC1(C)C(C)(C)C1(C)C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001177541071 1385990477 /nfs/dbraw/zinc/99/04/77/1385990477.db2.gz ZZNLMBNFVXXAPG-UHFFFAOYSA-N 0 3 347.459 3.263 20 5 EGBDHN Cc1ccc([C@H](C)NCCC(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC001337294695 1389296357 /nfs/dbraw/zinc/29/63/57/1389296357.db2.gz RTLXGSXFZXCPOL-ZFWWWQNUSA-N 0 3 333.432 3.202 20 5 EGBDHN O=C(Nc1cccc2c1CNC2)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001340984664 1390419333 /nfs/dbraw/zinc/41/93/33/1390419333.db2.gz XMNQFYIZVQRYGZ-UHFFFAOYSA-N 0 3 338.367 3.025 20 5 EGBDHN CN1CC[C@@H](NCc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC001334807789 1390595513 /nfs/dbraw/zinc/59/55/13/1390595513.db2.gz JSSPUWOUNLIXET-GFCCVEGCSA-N 0 3 335.791 3.302 20 5 EGBDHN CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001334972308 1390627172 /nfs/dbraw/zinc/62/71/72/1390627172.db2.gz HFJATIDXAMZITK-GXTWGEPZSA-N 0 3 340.445 3.463 20 5 EGBDHN Cc1cncc([N+](=O)[O-])c1N1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001346073134 1390905416 /nfs/dbraw/zinc/90/54/16/1390905416.db2.gz WATRDWFKXMLZCD-MRXNPFEDSA-N 0 3 340.427 3.399 20 5 EGBDHN Cc1cnc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)c1 ZINC001346337744 1390923422 /nfs/dbraw/zinc/92/34/22/1390923422.db2.gz IWTZKTNEXRTQNJ-MLGOLLRUSA-N 0 3 332.331 3.401 20 5 EGBDHN Cc1cc(C(=O)N(C)CCNCc2cccc([N+](=O)[O-])c2)sc1C ZINC001753258375 1440343929 /nfs/dbraw/zinc/34/39/29/1440343929.db2.gz GOPXPUFYWWVMSS-UHFFFAOYSA-N 0 3 347.440 3.135 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](CO)Cc1ccc(F)cc1 ZINC000893998790 1126125801 /nfs/dbraw/zinc/12/58/01/1126125801.db2.gz AHKJUDXUPPLSKM-OAHLLOKOSA-N 0 3 338.766 3.081 20 5 EGBDHN CN(C)CCN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C1CCCC1 ZINC000342949123 282088893 /nfs/dbraw/zinc/08/88/93/282088893.db2.gz MQQUFMSQWFQPDU-UHFFFAOYSA-N 0 3 344.415 3.023 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000072663321 216290713 /nfs/dbraw/zinc/29/07/13/216290713.db2.gz OTRPGBRFHOQIIS-CPUCHLNUSA-N 0 3 331.416 3.495 20 5 EGBDHN C[C@@H]1CCCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194006090 240397406 /nfs/dbraw/zinc/39/74/06/240397406.db2.gz JUQMFKYKDGJYJF-ZWNOBZJWSA-N 0 3 325.796 3.355 20 5 EGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H](N)c1ccccc1 ZINC000236796940 242360238 /nfs/dbraw/zinc/36/02/38/242360238.db2.gz NZFWVEUPVADMLC-GOSISDBHSA-N 0 3 341.411 3.422 20 5 EGBDHN Cc1ccc([C@@H](C)NCCc2nnc3n2CCCCC3)cc1[N+](=O)[O-] ZINC000126609265 205065377 /nfs/dbraw/zinc/06/53/77/205065377.db2.gz JFXIODGSCAJFAS-CQSZACIVSA-N 0 3 343.431 3.114 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)c1cccnc1 ZINC000127877336 205122332 /nfs/dbraw/zinc/12/23/32/205122332.db2.gz LYXJNKSBZINJFT-AWEZNQCLSA-N 0 3 342.399 3.320 20 5 EGBDHN Cc1c([C@@H](C)NCCC(=O)N2CCCCCC2)cccc1[N+](=O)[O-] ZINC000129082285 205177780 /nfs/dbraw/zinc/17/77/80/205177780.db2.gz VHMHNTNUHUDNHM-OAHLLOKOSA-N 0 3 333.432 3.347 20 5 EGBDHN Cc1cc(C)cc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000237634990 141011257 /nfs/dbraw/zinc/01/12/57/141011257.db2.gz FOFZCWXYLSFZPH-INIZCTEOSA-N 0 3 326.400 3.293 20 5 EGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346212351 141182105 /nfs/dbraw/zinc/18/21/05/141182105.db2.gz WYSMVZIFRSGNNK-NEPJUHHUSA-N 0 3 339.823 3.098 20 5 EGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000344705534 144211930 /nfs/dbraw/zinc/21/19/30/144211930.db2.gz KKCONIVFGSGOTD-CQSZACIVSA-N 0 3 339.823 3.098 20 5 EGBDHN CCCN(CCN(C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000344867537 144233259 /nfs/dbraw/zinc/23/32/59/144233259.db2.gz SCFAIPNXGBTMCX-UHFFFAOYSA-N 0 3 335.429 3.223 20 5 EGBDHN CC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000341222619 155211759 /nfs/dbraw/zinc/21/17/59/155211759.db2.gz YEAHVHKWYDAYAH-WMZOPIPTSA-N 0 3 330.384 3.075 20 5 EGBDHN CCN1CCN(c2cccc(NCc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000191885642 153227596 /nfs/dbraw/zinc/22/75/96/153227596.db2.gz MGLAHOAKSCOLNR-UHFFFAOYSA-N 0 3 340.427 3.349 20 5 EGBDHN COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(OC)c2)N(C)C)c1 ZINC000327745924 154187825 /nfs/dbraw/zinc/18/78/25/154187825.db2.gz OQLDKYSWRUMQRM-QGZVFWFLSA-N 0 3 345.399 3.327 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC([C@H]3CCOC3)C2)o1 ZINC000365564213 157172480 /nfs/dbraw/zinc/17/24/80/157172480.db2.gz VPBCWCQNKSVVFI-ZDUSSCGKSA-N 0 3 328.368 3.323 20 5 EGBDHN CCCCN(CCOC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093322973 162003906 /nfs/dbraw/zinc/00/39/06/162003906.db2.gz UYCGPJYAYRRSMT-UHFFFAOYSA-N 0 3 346.431 3.244 20 5 EGBDHN COC(=O)[C@]1(C)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000093813716 162030928 /nfs/dbraw/zinc/03/09/28/162030928.db2.gz OSDYUMSXBFCLLY-GOSISDBHSA-N 0 3 344.367 3.240 20 5 EGBDHN COc1ccc(-c2ccc(CNC3CCOCC3)o2)c([N+](=O)[O-])c1 ZINC000338718136 163329805 /nfs/dbraw/zinc/32/98/05/163329805.db2.gz PTVINWDJPCUFNG-UHFFFAOYSA-N 0 3 332.356 3.132 20 5 EGBDHN CN(C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000338764004 163342038 /nfs/dbraw/zinc/34/20/38/163342038.db2.gz XNBHFCISUFRVIS-INIZCTEOSA-N 0 3 347.802 3.281 20 5 EGBDHN CCCN(CCN1CCN(CC)CC1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000344190978 164123268 /nfs/dbraw/zinc/12/32/68/164123268.db2.gz YJFCIKOKGMLRMY-QGZVFWFLSA-N 0 3 348.491 3.005 20 5 EGBDHN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCOC(C)(C)C1 ZINC000351933341 165156949 /nfs/dbraw/zinc/15/69/49/165156949.db2.gz CNNFBJXMXRFLGU-HNNXBMFYSA-N 0 3 349.431 3.121 20 5 EGBDHN CCC1(CC)[C@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC000359429671 167154013 /nfs/dbraw/zinc/15/40/13/167154013.db2.gz RBHCZJZQRIVATJ-APHBMKBZSA-N 0 3 349.431 3.105 20 5 EGBDHN C[C@@H]1C[C@H](c2ccccc2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000366868048 168150573 /nfs/dbraw/zinc/15/05/73/168150573.db2.gz LKQZFFHHVLWWDO-NVXWUHKLSA-N 0 3 341.411 3.025 20 5 EGBDHN Cc1n[nH]cc1C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000367446032 168227036 /nfs/dbraw/zinc/22/70/36/168227036.db2.gz BAIFHLVCBHVSHO-UHFFFAOYSA-N 0 3 344.415 3.275 20 5 EGBDHN Cn1nccc1[C@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367467854 168231188 /nfs/dbraw/zinc/23/11/88/168231188.db2.gz XPZBIRDHBCQEET-RRGWEWPQSA-N 0 3 326.400 3.221 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000175459225 265116382 /nfs/dbraw/zinc/11/63/82/265116382.db2.gz CIJBUPIBLZTBBR-LJISPDSOSA-N 0 3 333.432 3.342 20 5 EGBDHN CCC1(CC)[C@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1OC ZINC000191369927 265901513 /nfs/dbraw/zinc/90/15/13/265901513.db2.gz VZGSVWGYILBBHL-HZPDHXFCSA-N 0 3 349.431 3.025 20 5 EGBDHN C[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000195481869 266185510 /nfs/dbraw/zinc/18/55/10/266185510.db2.gz TYXIJJYDPJESDC-CYBMUJFWSA-N 0 3 327.384 3.147 20 5 EGBDHN COCCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccc1 ZINC000269679008 266339065 /nfs/dbraw/zinc/33/90/65/266339065.db2.gz XTCGKEZSCVOPOE-BEFAXECRSA-N 0 3 344.411 3.338 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000273276409 267011622 /nfs/dbraw/zinc/01/16/22/267011622.db2.gz XMKGGQSICJZACT-GOSISDBHSA-N 0 3 341.411 3.082 20 5 EGBDHN C[C@H](CNC(=O)OC(C)(C)C)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000274394652 267229009 /nfs/dbraw/zinc/22/90/09/267229009.db2.gz LMOGNHQXCQZWED-BUUCAEBMSA-N 0 3 335.404 3.111 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000047452780 275141734 /nfs/dbraw/zinc/14/17/34/275141734.db2.gz FPVGBOXHGHOHHV-KHPPLWFESA-N 0 3 325.368 3.308 20 5 EGBDHN O=[N+]([O-])c1cc(Br)ccc1OCCN1CCCCC1 ZINC000048760138 275147187 /nfs/dbraw/zinc/14/71/87/275147187.db2.gz KTRIUITUCSRAQZ-UHFFFAOYSA-N 0 3 329.194 3.222 20 5 EGBDHN CC(=O)N1CC[C@@H](NCc2ccc([N+](=O)[O-])cc2)c2ccccc2C1 ZINC000366700581 275465506 /nfs/dbraw/zinc/46/55/06/275465506.db2.gz XILDRIHMCKUPFN-LJQANCHMSA-N 0 3 339.395 3.178 20 5 EGBDHN CC1(C)C[C@H](N[C@H]2CCC(=O)NC23CCC3)c2cc([N+](=O)[O-])ccc21 ZINC000282958092 275686904 /nfs/dbraw/zinc/68/69/04/275686904.db2.gz CJLFBJBVMDEOMH-HOTGVXAUSA-N 0 3 343.427 3.108 20 5 EGBDHN C[C@@H](NC[C@@H](O)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283928026 275761293 /nfs/dbraw/zinc/76/12/93/275761293.db2.gz DXCLDLQHCPITFV-QLJPJBMISA-N 0 3 335.791 3.215 20 5 EGBDHN CC(C)(C)c1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000171443666 277266638 /nfs/dbraw/zinc/26/66/38/277266638.db2.gz HVSGTATTWGQYEU-HNNXBMFYSA-N 0 3 345.443 3.203 20 5 EGBDHN CS[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1N1CCCC1 ZINC000349219503 278156830 /nfs/dbraw/zinc/15/68/30/278156830.db2.gz VZAFIWSJXYNWRS-LSDHHAIUSA-N 0 3 341.864 3.264 20 5 EGBDHN C[C@@H]1[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCCN1C ZINC000343511854 279125107 /nfs/dbraw/zinc/12/51/07/279125107.db2.gz JDOHZWFPHDBAJV-IUODEOHRSA-N 0 3 333.432 3.105 20 5 EGBDHN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCCC[C@H]1C ZINC000339004319 279355337 /nfs/dbraw/zinc/35/53/37/279355337.db2.gz RDZLRNTVMOXHPK-CHWSQXEVSA-N 0 3 346.431 3.154 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1NCc1ccccc1CN1CC[C@H](O)C1 ZINC000120277983 281261199 /nfs/dbraw/zinc/26/11/99/281261199.db2.gz DIJHSKVZRONYJB-KRWDZBQOSA-N 0 3 341.411 3.082 20 5 EGBDHN Cc1ccc([C@H](C)NC[C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414312662 309072305 /nfs/dbraw/zinc/07/23/05/309072305.db2.gz NXVLVOSWWHPYQX-XJKSGUPXSA-N 0 3 332.375 3.469 20 5 EGBDHN CCCCNC(=O)[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000254975857 308036051 /nfs/dbraw/zinc/03/60/51/308036051.db2.gz VASRVGQDSKBUDJ-UXHZXRBQSA-N 0 3 345.443 3.236 20 5 EGBDHN CC(C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)OCC1CC1 ZINC000414518532 309085994 /nfs/dbraw/zinc/08/59/94/309085994.db2.gz UZRSDVITBVXKTB-UHFFFAOYSA-N 0 3 344.358 3.491 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@H](O)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000294394595 308217268 /nfs/dbraw/zinc/21/72/68/308217268.db2.gz CEBKPTHRHGUKRW-CXAGYDPISA-N 0 3 332.375 3.297 20 5 EGBDHN CC(C)NC(=O)[C@@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414542865 309087669 /nfs/dbraw/zinc/08/76/69/309087669.db2.gz LSESUHYINKPFRW-GFCCVEGCSA-N 0 3 347.440 3.326 20 5 EGBDHN C[C@H](CCO)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000295123925 308294184 /nfs/dbraw/zinc/29/41/84/308294184.db2.gz NQQXDVOTSLTSOT-LBPRGKRZSA-N 0 3 335.429 3.217 20 5 EGBDHN Cc1nc(NC[C@H]2CCCN(Cc3cccs3)C2)ncc1[N+](=O)[O-] ZINC000295423729 308325381 /nfs/dbraw/zinc/32/53/81/308325381.db2.gz FFJYVKFDVXLHEG-CYBMUJFWSA-N 0 3 347.444 3.079 20 5 EGBDHN C[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000295592962 308341712 /nfs/dbraw/zinc/34/17/12/308341712.db2.gz MQTCIBSQGACSKU-KBPBESRZSA-N 0 3 333.432 3.269 20 5 EGBDHN CCc1ccccc1[C@H](N)CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414662357 309094365 /nfs/dbraw/zinc/09/43/65/309094365.db2.gz RCPSSIRMGNCTKG-MRXNPFEDSA-N 0 3 342.399 3.287 20 5 EGBDHN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CN1C1CC1 ZINC000413185714 309020270 /nfs/dbraw/zinc/02/02/70/309020270.db2.gz NQNGFTDBHDWOOD-IUCAKERBSA-N 0 3 330.310 3.046 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413238350 309023107 /nfs/dbraw/zinc/02/31/07/309023107.db2.gz SSTUPUXSNQVHKJ-WBMJQRKESA-N 0 3 330.363 3.061 20 5 EGBDHN CNCc1cccc(NC(=O)N(C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000415933891 309149752 /nfs/dbraw/zinc/14/97/52/309149752.db2.gz QRNGAEKZLMDFBN-UHFFFAOYSA-N 0 3 342.399 3.021 20 5 EGBDHN CC(C)(NC(=O)Nc1ccc2c(c1)CNC2)c1ccccc1[N+](=O)[O-] ZINC000416007185 309154311 /nfs/dbraw/zinc/15/43/11/309154311.db2.gz KUBUHVCSNJJNAR-UHFFFAOYSA-N 0 3 340.383 3.255 20 5 EGBDHN CC[C@@H](C)NC(=O)CCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417346373 309202446 /nfs/dbraw/zinc/20/24/46/309202446.db2.gz VWJGPBNXZQDOQU-CXAGYDPISA-N 0 3 333.432 3.257 20 5 EGBDHN CC1(C)C[C@@H](N[C@H]2CCN(CC(F)F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000417381087 309203678 /nfs/dbraw/zinc/20/36/78/309203678.db2.gz IBSORWVYUCWLHP-XHDPSFHLSA-N 0 3 339.386 3.246 20 5 EGBDHN COC1([C@H](C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOCC1 ZINC000421396468 309322707 /nfs/dbraw/zinc/32/27/07/309322707.db2.gz BSZTYYCYLDFRQG-AWEZNQCLSA-N 0 3 336.432 3.392 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCc1cccc(CN(C)C)c1 ZINC000421744171 309338049 /nfs/dbraw/zinc/33/80/49/309338049.db2.gz MSAJGPHTFHCQKZ-UHFFFAOYSA-N 0 3 341.411 3.203 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000423417598 309399513 /nfs/dbraw/zinc/39/95/13/309399513.db2.gz HBZIAWMSIIVORW-KDOFPFPSSA-N 0 3 325.412 3.441 20 5 EGBDHN CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H](CO)CC(F)F ZINC000429461694 309582356 /nfs/dbraw/zinc/58/23/56/309582356.db2.gz LWDFJVMLOUSEOK-MNOVXSKESA-N 0 3 334.388 3.071 20 5 EGBDHN CC1(C)C[C@H](NCCN2CCOC(C)(C)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433113987 309679254 /nfs/dbraw/zinc/67/92/54/309679254.db2.gz DWAOVQFVNIDGEK-KRWDZBQOSA-N 0 3 347.459 3.018 20 5 EGBDHN CC1CCN([C@@H](CNc2ncc([N+](=O)[O-])s2)c2ccccc2)CC1 ZINC000443518385 309902444 /nfs/dbraw/zinc/90/24/44/309902444.db2.gz RYZQNBBPVZUFEW-HNNXBMFYSA-N 0 3 346.456 3.358 20 5 EGBDHN COc1cc(C)cc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447585129 309983271 /nfs/dbraw/zinc/98/32/71/309983271.db2.gz IJBLCMVURCPMAU-IRXDYDNUSA-N 0 3 344.415 3.382 20 5 EGBDHN COc1ncc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1Cl ZINC000449460627 310063673 /nfs/dbraw/zinc/06/36/73/310063673.db2.gz OAFNBYBZUNFJGN-NSHDSACASA-N 0 3 335.791 3.373 20 5 EGBDHN C[C@@H](c1ccccc1)[C@@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000450931668 310150594 /nfs/dbraw/zinc/15/05/94/310150594.db2.gz BBRMQHQZCSGNKM-KXBFYZLASA-N 0 3 328.412 3.234 20 5 EGBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451459562 310179286 /nfs/dbraw/zinc/17/92/86/310179286.db2.gz QQEHOSCIYLOVAL-MRXNPFEDSA-N 0 3 347.415 3.244 20 5 EGBDHN C[C@H]1CCCN1C(=O)CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546351 310184783 /nfs/dbraw/zinc/18/47/83/310184783.db2.gz IZGSWMKYNQQZIX-DOTOQJQBSA-N 0 3 345.443 3.175 20 5 EGBDHN CC(C)[C@@H](CO)[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000451602365 310188777 /nfs/dbraw/zinc/18/87/77/310188777.db2.gz VJSMTOVYYUBMSB-CJNGLKHVSA-N 0 3 330.375 3.252 20 5 EGBDHN COc1ccc2c(c1)C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])CO2 ZINC000453166515 310261929 /nfs/dbraw/zinc/26/19/29/310261929.db2.gz QRVGYIAZWFZBIP-TZMCWYRMSA-N 0 3 328.368 3.258 20 5 EGBDHN CCC(C)(C)OCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000453608461 310284209 /nfs/dbraw/zinc/28/42/09/310284209.db2.gz CJUUTGATPRUVBD-UHFFFAOYSA-N 0 3 346.431 3.290 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC(=O)Nc1ccc(F)cc1 ZINC000468648428 310691702 /nfs/dbraw/zinc/69/17/02/310691702.db2.gz LAUAGZIFJRIZLN-LCYFTJDESA-N 0 3 343.358 3.366 20 5 EGBDHN COc1ccc(NC(=O)CN[C@H]2CCC(C)(C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000481085904 310905742 /nfs/dbraw/zinc/90/57/42/310905742.db2.gz BGQJYPPQWRXRBE-OCCSQVGLSA-N 0 3 349.431 3.346 20 5 EGBDHN C[C@H](CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])CN(C)C ZINC000488987563 311088182 /nfs/dbraw/zinc/08/81/82/311088182.db2.gz UFVXDNSURCGTRW-CQSZACIVSA-N 0 3 341.411 3.435 20 5 EGBDHN COC(=O)N1CCC([C@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000492200793 311225989 /nfs/dbraw/zinc/22/59/89/311225989.db2.gz KJFPMJFRADAGFF-STQMWFEESA-N 0 3 335.404 3.112 20 5 EGBDHN C[C@H](CCNC(=O)OC(C)(C)C)NCc1csc([N+](=O)[O-])c1 ZINC000496494223 311721227 /nfs/dbraw/zinc/72/12/27/311721227.db2.gz VLPKPJRHNYMGKB-SNVBAGLBSA-N 0 3 329.422 3.049 20 5 EGBDHN CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000511522461 312162501 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EGBDHN CCc1ccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000538738569 314271302 /nfs/dbraw/zinc/27/13/02/314271302.db2.gz DSAXTSIRVHAGDH-LBPRGKRZSA-N 0 3 332.429 3.300 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN[C@@H]2CCCOc3ccccc32)cc1 ZINC000539068899 314293614 /nfs/dbraw/zinc/29/36/14/314293614.db2.gz IHTSDBZMGCTSSS-QGZVFWFLSA-N 0 3 328.368 3.477 20 5 EGBDHN CC(C)(C)N1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000548744156 315041840 /nfs/dbraw/zinc/04/18/40/315041840.db2.gz UPLYPFADOJSUJO-UHFFFAOYSA-N 0 3 338.383 3.072 20 5 EGBDHN C[C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Cn1cccn1 ZINC000549550566 315096266 /nfs/dbraw/zinc/09/62/66/315096266.db2.gz JPQDBPRYTOMKBH-CQSZACIVSA-N 0 3 340.383 3.477 20 5 EGBDHN COc1cccc(COCCN[C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000563419763 316018764 /nfs/dbraw/zinc/01/87/64/316018764.db2.gz YXBBYBFUYYSGEZ-SFHVURJKSA-N 0 3 342.395 3.397 20 5 EGBDHN COC[C@@H](Cc1ccccc1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570738880 317100591 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O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCC[C@H]2CCO)o1 ZINC000189941306 455257202 /nfs/dbraw/zinc/25/72/02/455257202.db2.gz AMTQOOAEOLSWJW-XJKSGUPXSA-N 0 3 330.384 3.496 20 5 EGBDHN CC1([C@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)OCCO1 ZINC000183241820 455257787 /nfs/dbraw/zinc/25/77/87/455257787.db2.gz ZTZBOUPGKDPRPK-RRGWEWPQSA-N 0 3 332.400 3.083 20 5 EGBDHN CC(C)[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1Cl ZINC000183691656 455322576 /nfs/dbraw/zinc/32/25/76/455322576.db2.gz KMSUSXGWGPVUFR-KRWDZBQOSA-N 0 3 349.818 3.397 20 5 EGBDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cn2)N2CCCC2)cc1 ZINC000012937639 453428573 /nfs/dbraw/zinc/42/85/73/453428573.db2.gz NEBLRUDRCQVCDE-KRWDZBQOSA-N 0 3 342.399 3.247 20 5 EGBDHN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000017305729 453633005 /nfs/dbraw/zinc/63/30/05/453633005.db2.gz NDNIKBZSGPVDFH-AWEZNQCLSA-N 0 3 337.383 3.369 20 5 EGBDHN CCOc1ccc(NC(=O)CN(C)[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000026468316 453800850 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Cc1cnc(N2CC[C@@H](C)N(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000078689596 454300453 /nfs/dbraw/zinc/30/04/53/454300453.db2.gz FGKHXHKGMRAFFB-MRXNPFEDSA-N 0 3 340.427 3.399 20 5 EGBDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])nc2)N2CCCC2)cc1 ZINC000072521924 454303195 /nfs/dbraw/zinc/30/31/95/454303195.db2.gz DYYPNGHHEGPLLP-KRWDZBQOSA-N 0 3 342.399 3.247 20 5 EGBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000090539195 454318502 /nfs/dbraw/zinc/31/85/02/454318502.db2.gz HLXMDLJHZJHHNT-JTQLQIEISA-N 0 3 328.294 3.161 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN[C@@H](c2ccccc2F)C2CCCC2)c1 ZINC000091399944 454432392 /nfs/dbraw/zinc/43/23/92/454432392.db2.gz RGEXJJCFVCLNIF-QGZVFWFLSA-N 0 3 332.379 3.452 20 5 EGBDHN Cc1cc(C(=O)N(CCN(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000063829580 454451893 /nfs/dbraw/zinc/45/18/93/454451893.db2.gz AUKBXWCPASZSLC-UHFFFAOYSA-N 0 3 327.384 3.112 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(N2CC=CC2)CC1 ZINC000102316989 454500063 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CC(C)N(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000108364958 454794569 /nfs/dbraw/zinc/79/45/69/454794569.db2.gz LIYPKHQNPRBYSR-UHFFFAOYSA-N 0 3 331.416 3.137 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC(C)(C)N1CCCCC1 ZINC000163068114 454820704 /nfs/dbraw/zinc/82/07/04/454820704.db2.gz AENKTJNKIHSMNI-UHFFFAOYSA-N 0 3 334.420 3.289 20 5 EGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCN2CCC[C@H]2C1 ZINC000142030096 454834106 /nfs/dbraw/zinc/83/41/06/454834106.db2.gz MNIGNTQMOVXPCY-AWEZNQCLSA-N 0 3 345.424 3.120 20 5 EGBDHN CCOc1ccc([C@@H](C)NCC[S@](=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000153845186 454839374 /nfs/dbraw/zinc/83/93/74/454839374.db2.gz MLLQDTPSRAMLPV-SFDCACGMSA-N 0 3 342.461 3.191 20 5 EGBDHN Cc1c([C@@H](C)N[C@H]2CCN(CC(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000125809460 454849051 /nfs/dbraw/zinc/84/90/51/454849051.db2.gz QFCRVSJMOQZVRD-NEPJUHHUSA-N 0 3 331.338 3.190 20 5 EGBDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000144843058 454851088 /nfs/dbraw/zinc/85/10/88/454851088.db2.gz SUUIXDDBFXBTQZ-WMLDXEAASA-N 0 3 347.459 3.420 20 5 EGBDHN CCC1(CC)[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1OC ZINC000191384426 455481765 /nfs/dbraw/zinc/48/17/65/455481765.db2.gz JAJVAXFTYAHNCW-CVEARBPZSA-N 0 3 349.431 3.025 20 5 EGBDHN CC[C@@H]1CCCCN1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000113247772 454919395 /nfs/dbraw/zinc/91/93/95/454919395.db2.gz LGFRAJKOHLCUMM-CQSZACIVSA-N 0 3 346.431 3.156 20 5 EGBDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000179891734 455095078 /nfs/dbraw/zinc/09/50/78/455095078.db2.gz CVLKYNDMTRYACS-ZDUSSCGKSA-N 0 3 344.367 3.382 20 5 EGBDHN C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CCCCCC1 ZINC000129559906 455116686 /nfs/dbraw/zinc/11/66/86/455116686.db2.gz YZMICEPAULUBKT-OAHLLOKOSA-N 0 3 345.443 3.350 20 5 EGBDHN C[C@H](NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)c1ccccc1 ZINC000181526480 455349704 /nfs/dbraw/zinc/34/97/04/455349704.db2.gz SXAVMVCGYCEQJA-CABCVRRESA-N 0 3 341.411 3.339 20 5 EGBDHN Cc1ccc(C[C@H](CO)N[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000191585176 455500811 /nfs/dbraw/zinc/50/08/11/455500811.db2.gz QBJGNLJZEVSURS-DOTOQJQBSA-N 0 3 328.412 3.466 20 5 EGBDHN C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]2CCCC[C@H]12 ZINC000182499805 455526166 /nfs/dbraw/zinc/52/61/66/455526166.db2.gz LEEWECDXNOLMSF-JLZZUVOBSA-N 0 3 332.400 3.472 20 5 EGBDHN CCOc1ccc(NC(=O)CN[C@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000191864140 455526824 /nfs/dbraw/zinc/52/68/24/455526824.db2.gz CGDMLKKDIWLILT-HNNXBMFYSA-N 0 3 335.404 3.100 20 5 EGBDHN CC[C@@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Cl)c1 ZINC000182585604 455546753 /nfs/dbraw/zinc/54/67/53/455546753.db2.gz BPDPXKDMUINWKU-OAHLLOKOSA-N 0 3 335.791 3.151 20 5 EGBDHN CCCCN1CCCC[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601027342 460680147 /nfs/dbraw/zinc/68/01/47/460680147.db2.gz WNKORFICVKAYLO-ZDUSSCGKSA-N 0 3 337.395 3.118 20 5 EGBDHN Cc1cc2ncc([C@@H](C)NCCc3ccccc3[N+](=O)[O-])c(C)n2n1 ZINC000271365353 455612274 /nfs/dbraw/zinc/61/22/74/455612274.db2.gz FZFZKSCWHKZCJV-CYBMUJFWSA-N 0 3 339.399 3.148 20 5 EGBDHN C[C@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283928020 455612426 /nfs/dbraw/zinc/61/24/26/455612426.db2.gz DXCLDLQHCPITFV-QFYYESIMSA-N 0 3 335.791 3.215 20 5 EGBDHN COc1ccc(NC(=O)CN(C)[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000192622838 455655989 /nfs/dbraw/zinc/65/59/89/455655989.db2.gz PLQGTCRBDGPDKG-SWLSCSKDSA-N 0 3 335.404 3.052 20 5 EGBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000271777804 455756091 /nfs/dbraw/zinc/75/60/91/455756091.db2.gz GJXSHKGXHYMSFR-RKNYENMMSA-N 0 3 348.424 3.062 20 5 EGBDHN C[C@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCC[C@@H](C)C1 ZINC000249717124 455769521 /nfs/dbraw/zinc/76/95/21/455769521.db2.gz JJRPWEGEHSJJEG-CHWSQXEVSA-N 0 3 346.431 3.012 20 5 EGBDHN Cc1ccc([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000285664568 455891595 /nfs/dbraw/zinc/89/15/95/455891595.db2.gz MMFIXSYYALCVOY-SUYBPPKGSA-N 0 3 333.432 3.247 20 5 EGBDHN Cc1ccc(NC(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000272392597 455936152 /nfs/dbraw/zinc/93/61/52/455936152.db2.gz WAHANSVIFTVDOB-ZDUSSCGKSA-N 0 3 334.420 3.097 20 5 EGBDHN Cc1cc(CN(C)C)cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1 ZINC000270374616 455941436 /nfs/dbraw/zinc/94/14/36/455941436.db2.gz LCCNJMPPJAONEU-UHFFFAOYSA-N 0 3 345.403 3.064 20 5 EGBDHN C[C@H](CO)N(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCC1 ZINC000280569729 456001899 /nfs/dbraw/zinc/00/18/99/456001899.db2.gz RVAGDBRYZCELNR-CYBMUJFWSA-N 0 3 345.399 3.233 20 5 EGBDHN C[C@H]1C[C@H](N2CCCC2)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000286241569 456007565 /nfs/dbraw/zinc/00/75/65/456007565.db2.gz FKSWLDUIVFMWLL-ZFWWWQNUSA-N 0 3 326.400 3.206 20 5 EGBDHN CCC(=O)c1ccc(NC[C@]2(N(C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000280644605 456021985 /nfs/dbraw/zinc/02/19/85/456021985.db2.gz DQYQUKFLWQPFOA-MRXNPFEDSA-N 0 3 337.445 3.037 20 5 EGBDHN Cc1ccnc(N[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301310253 456087413 /nfs/dbraw/zinc/08/74/13/456087413.db2.gz ZDUMGOWZNHXKLE-MRXNPFEDSA-N 0 3 326.400 3.375 20 5 EGBDHN COc1cc(NC[C@H](c2cccc(F)c2)N(C)C)ccc1[N+](=O)[O-] ZINC000301361765 456099144 /nfs/dbraw/zinc/09/91/44/456099144.db2.gz OJPLLZOJLPSARL-MRXNPFEDSA-N 0 3 333.363 3.457 20 5 EGBDHN CSc1cccc(C(=O)NC[C@H](CC(C)C)N(C)C)c1[N+](=O)[O-] ZINC000188918596 456170015 /nfs/dbraw/zinc/17/00/15/456170015.db2.gz SEEZNWFEAVLQNX-LBPRGKRZSA-N 0 3 339.461 3.023 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000289904337 456176281 /nfs/dbraw/zinc/17/62/81/456176281.db2.gz QQZLSUQLOYRDTJ-UHFFFAOYSA-N 0 3 339.823 3.196 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000271230895 456183745 /nfs/dbraw/zinc/18/37/45/456183745.db2.gz FSLQEZIQHZCCIA-MRXNPFEDSA-N 0 3 345.443 3.220 20 5 EGBDHN Cc1cc(NCCCNC(=O)C(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000302095703 456286652 /nfs/dbraw/zinc/28/66/52/456286652.db2.gz RTMDCPLXYIOAOA-UHFFFAOYSA-N 0 3 330.388 3.026 20 5 EGBDHN Cc1cc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000302192076 456312876 /nfs/dbraw/zinc/31/28/76/456312876.db2.gz ZLTOPNMQJZXANL-ZBFHGGJFSA-N 0 3 326.400 3.231 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc4occc4c3)C2)nc1 ZINC000347844013 456400964 /nfs/dbraw/zinc/40/09/64/456400964.db2.gz AVQZOOCCMIQKGW-HNNXBMFYSA-N 0 3 338.367 3.422 20 5 EGBDHN CN(CCNc1c2c(ccc1[N+](=O)[O-])NCC2)Cc1ccccc1 ZINC000302831199 456413275 /nfs/dbraw/zinc/41/32/75/456413275.db2.gz LAZMUQFVGOMZPL-UHFFFAOYSA-N 0 3 326.400 3.107 20 5 EGBDHN Cc1noc(C)c1C(C)(C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298476220 456467242 /nfs/dbraw/zinc/46/72/42/456467242.db2.gz IWUAUGMGOPIXOV-UHFFFAOYSA-N 0 3 346.387 3.053 20 5 EGBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000298572583 456494025 /nfs/dbraw/zinc/49/40/25/456494025.db2.gz QLRNVOVHZSROJW-LBPRGKRZSA-N 0 3 325.368 3.330 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000310285047 456581657 /nfs/dbraw/zinc/58/16/57/456581657.db2.gz LZCIYLVQUPLRLO-YOEHRIQHSA-N 0 3 326.400 3.373 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000353329240 456642582 /nfs/dbraw/zinc/64/25/82/456642582.db2.gz KEEDWRDFUHUCKU-DOMZBBRYSA-N 0 3 346.387 3.439 20 5 EGBDHN Cc1cccc(C)c1OC[C@H](O)CNCc1cccc([N+](=O)[O-])c1C ZINC000327825079 456709024 /nfs/dbraw/zinc/70/90/24/456709024.db2.gz HOLJOPAEIWDRIM-QGZVFWFLSA-N 0 3 344.411 3.050 20 5 EGBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000338437131 456819265 /nfs/dbraw/zinc/81/92/65/456819265.db2.gz DELFKUHPGYZRSG-CYBMUJFWSA-N 0 3 325.434 3.041 20 5 EGBDHN CO[C@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1(C)C ZINC000344700530 456848844 /nfs/dbraw/zinc/84/88/44/456848844.db2.gz QKEJVPFDQXIDSX-STQMWFEESA-N 0 3 330.331 3.099 20 5 EGBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc([S@](C)=O)cc1 ZINC000338957140 456875576 /nfs/dbraw/zinc/87/55/76/456875576.db2.gz DQBKDSVZJYRBAJ-QHCPKHFHSA-N 0 3 332.425 3.007 20 5 EGBDHN CCOc1ccc([C@@H](C)NCCCN2CCCCC2=O)cc1[N+](=O)[O-] ZINC000349199334 456911801 /nfs/dbraw/zinc/91/18/01/456911801.db2.gz DJYVVPUANFFWOM-CQSZACIVSA-N 0 3 349.431 3.047 20 5 EGBDHN COc1ccc(-c2ccc(CN3CC[C@@H](OC)C3)o2)c([N+](=O)[O-])c1 ZINC000353841076 456931262 /nfs/dbraw/zinc/93/12/62/456931262.db2.gz DJTNDDFAWVZIPP-CYBMUJFWSA-N 0 3 332.356 3.084 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC1([C@@H](C)CCO)CCC1 ZINC000345147106 456941971 /nfs/dbraw/zinc/94/19/71/456941971.db2.gz VDYGGZLKAJIJRO-AWEZNQCLSA-N 0 3 336.432 3.272 20 5 EGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN[C@H](c1cccs1)C1CC1 ZINC000342299429 457222593 /nfs/dbraw/zinc/22/25/93/457222593.db2.gz BFOCQUNBGIYDPJ-GUYCJALGSA-N 0 3 348.424 3.137 20 5 EGBDHN Cc1nc(C)n(C[C@H]2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000331722387 457238508 /nfs/dbraw/zinc/23/85/08/457238508.db2.gz KFFLKFVHJQHAAI-BBRMVZONSA-N 0 3 343.431 3.276 20 5 EGBDHN CC[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1c([N+](=O)[O-])ncn1C ZINC000363587692 457373078 /nfs/dbraw/zinc/37/30/78/457373078.db2.gz SYTZBKKUJZHECX-HOTGVXAUSA-N 0 3 328.416 3.487 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(N2CCCC2=O)CC1 ZINC000347375069 457385460 /nfs/dbraw/zinc/38/54/60/457385460.db2.gz ZAHGLVBKOROGRV-NTCAYCPXSA-N 0 3 343.427 3.085 20 5 EGBDHN CCN(Cc1ccccc1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000357325104 457446955 /nfs/dbraw/zinc/44/69/55/457446955.db2.gz SNANTHKITLUBLH-SFHVURJKSA-N 0 3 344.411 3.165 20 5 EGBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425354287 457516691 /nfs/dbraw/zinc/51/66/91/457516691.db2.gz ROCJVSHFEVUYGI-AZUAARDMSA-N 0 3 337.423 3.301 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)C1CCC(F)(F)CC1 ZINC000347602503 457541953 /nfs/dbraw/zinc/54/19/53/457541953.db2.gz PZXJJHVHEFIYNP-UHFFFAOYSA-N 0 3 341.358 3.351 20 5 EGBDHN C[C@H]1C[C@@H](C(C)(C)C)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000347607847 457546768 /nfs/dbraw/zinc/54/67/68/457546768.db2.gz WIICCWGKFQYKPP-WFASDCNBSA-N 0 3 333.432 3.340 20 5 EGBDHN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)CN1C ZINC000361153851 457617019 /nfs/dbraw/zinc/61/70/19/457617019.db2.gz KRQZTJUKJJMOGO-KGLIPLIRSA-N 0 3 329.400 3.379 20 5 EGBDHN C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H](C)C1 ZINC000357838494 457707261 /nfs/dbraw/zinc/70/72/61/457707261.db2.gz LEPKNJXWSRMYID-CHWSQXEVSA-N 0 3 345.399 3.191 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN([C@@H]3CCc4ccc(F)cc43)C2)nc1 ZINC000361399043 457718067 /nfs/dbraw/zinc/71/80/67/457718067.db2.gz CDIZHWUQIVUATB-RHSMWYFYSA-N 0 3 342.374 3.303 20 5 EGBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1csc([N+](=O)[O-])c1)N(C)C ZINC000357875109 457720464 /nfs/dbraw/zinc/72/04/64/457720464.db2.gz RRJVPRKJONIGNJ-BLLLJJGKSA-N 0 3 347.440 3.386 20 5 EGBDHN CC1(C)C[C@H](NCCOCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433149655 457766184 /nfs/dbraw/zinc/76/61/84/457766184.db2.gz JPCJHYNNUPDKKJ-ZDUSSCGKSA-N 0 3 332.322 3.486 20 5 EGBDHN C[C@@H]1C[C@H](C)CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000443656472 457798911 /nfs/dbraw/zinc/79/89/11/457798911.db2.gz LOXXCMYAFBZNTH-CPUCHLNUSA-N 0 3 331.416 3.068 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H]([C@H]4CCOC4)C3)co2)cc1 ZINC000371187322 457820820 /nfs/dbraw/zinc/82/08/20/457820820.db2.gz BIALIJJHXKHYDF-GJZGRUSLSA-N 0 3 343.383 3.108 20 5 EGBDHN CC(C)c1ccc(CN[C@@H]2CCC(=O)NC23CCC3)cc1[N+](=O)[O-] ZINC000367033703 457921573 /nfs/dbraw/zinc/92/15/73/457921573.db2.gz PRYSKFUSVXNZLX-MRXNPFEDSA-N 0 3 331.416 3.009 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(OCCN(C)C)c2)c1 ZINC000358379655 457965688 /nfs/dbraw/zinc/96/56/88/457965688.db2.gz PVLABEKVNHYFKF-UHFFFAOYSA-N 0 3 343.383 3.096 20 5 EGBDHN COc1cc(CN[C@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])cc1F ZINC000411974284 458029520 /nfs/dbraw/zinc/02/95/20/458029520.db2.gz TUITXDBFKYICGI-QLJPJBMISA-N 0 3 326.368 3.036 20 5 EGBDHN CC(C)[C@@H](CC(F)(F)F)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000445884427 458110333 /nfs/dbraw/zinc/11/03/33/458110333.db2.gz HKRVNEGXTCYWNU-CYBMUJFWSA-N 0 3 347.337 3.124 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CC([C@H]4CCOC4)C3)o2)c1 ZINC000376022626 458167143 /nfs/dbraw/zinc/16/71/43/458167143.db2.gz UBYQYDZHIGBEGF-AWEZNQCLSA-N 0 3 328.368 3.323 20 5 EGBDHN CSc1cccc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000376409287 458292739 /nfs/dbraw/zinc/29/27/39/458292739.db2.gz RRINFPIHWNSBJE-STQMWFEESA-N 0 3 349.456 3.016 20 5 EGBDHN CC(C)N1C[C@@H](C)[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436415198 458302273 /nfs/dbraw/zinc/30/22/73/458302273.db2.gz WNHRBCWYISFTNV-KOLCDFICSA-N 0 3 332.326 3.149 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCn3ccnc3C2)o1 ZINC000494422190 458673871 /nfs/dbraw/zinc/67/38/71/458673871.db2.gz BKFPOXJRHBNGMA-CYBMUJFWSA-N 0 3 338.367 3.156 20 5 EGBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000439689405 458740259 /nfs/dbraw/zinc/74/02/59/458740259.db2.gz BSRXOBRJIRGJLV-QGZVFWFLSA-N 0 3 340.427 3.338 20 5 EGBDHN COc1ccc(-c2ccc(CN(CCO)C3CCC3)o2)c([N+](=O)[O-])c1 ZINC000439765225 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COCCC[C@H](C)C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873085 1321747383 /nfs/dbraw/zinc/74/73/83/1321747383.db2.gz BLADCXRDMFIUNS-YWPYICTPSA-N 0 3 327.352 3.138 20 5 EGBDHN CC[C@@H]1CC[C@H](C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])O1 ZINC000845874267 1321747900 /nfs/dbraw/zinc/74/79/00/1321747900.db2.gz GSARVDDAEYXAHI-FKGLVLAHSA-N 0 3 325.336 3.033 20 5 EGBDHN COc1ccc(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845874458 1321748000 /nfs/dbraw/zinc/74/80/00/1321748000.db2.gz ZFNYVICENDJTSJ-KPZWWZAWSA-N 0 3 347.342 3.327 20 5 EGBDHN CC([C@@H](OC(=O)c1cc(Cl)cn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845873336 1321748087 /nfs/dbraw/zinc/74/80/87/1321748087.db2.gz SSAPUSMUXIFGPH-YMTOWFKASA-N 0 3 340.738 3.381 20 5 EGBDHN CC([C@@H](OC(=O)c1cnn(C(C)(C)C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845873448 1321748103 /nfs/dbraw/zinc/74/81/03/1321748103.db2.gz DEQFKWPIAURGLG-XHDPSFHLSA-N 0 3 349.362 3.341 20 5 EGBDHN CC(C)n1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845876658 1321749550 /nfs/dbraw/zinc/74/95/50/1321749550.db2.gz PTJUICZWQJTLFL-ABAIWWIYSA-N 0 3 335.335 3.166 20 5 EGBDHN COC1(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CCC1 ZINC000845877730 1321749768 /nfs/dbraw/zinc/74/97/68/1321749768.db2.gz GLZVVJHITPQDRD-IAQYHMDHSA-N 0 3 325.336 3.034 20 5 EGBDHN CC([C@@H](OC(=O)C[C@H]1CCC(=O)[C@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000845883746 1321751190 /nfs/dbraw/zinc/75/11/90/1321751190.db2.gz VMIBJCLSKUUMHA-SHFDMQKMSA-N 0 3 337.347 3.081 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@H](O)c1c(F)cccc1F ZINC000848532508 1321971204 /nfs/dbraw/zinc/97/12/04/1321971204.db2.gz AWWBFCOKFDRCID-ZBFHGGJFSA-N 0 3 334.322 3.184 20 5 EGBDHN CCc1c[nH]c(=O)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000851109118 1322335847 /nfs/dbraw/zinc/33/58/47/1322335847.db2.gz VQEQUTJVRLDABQ-ZUZCIYMTSA-N 0 3 348.330 3.052 20 5 EGBDHN O=[N+]([O-])c1cn(CN2CCC[C@@H]2C2CCCC2)nc1-c1ccccn1 ZINC000853491220 1325103760 /nfs/dbraw/zinc/10/37/60/1325103760.db2.gz LVIJOMKFNZDZLT-MRXNPFEDSA-N 0 3 341.415 3.465 20 5 EGBDHN CN(C)CCN(C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000932693557 1329833879 /nfs/dbraw/zinc/83/38/79/1329833879.db2.gz SVPWCNIXMOBUTO-ROUUACIJSA-N 0 3 345.443 3.031 20 5 EGBDHN Cc1ccn2cc(CN[C@H](C)Cc3ccc(F)cc3[N+](=O)[O-])nc2c1 ZINC000866260706 1330086902 /nfs/dbraw/zinc/08/69/02/1330086902.db2.gz WHBPAZGFNDEBRY-CYBMUJFWSA-N 0 3 342.374 3.411 20 5 EGBDHN C/C=C(/C)C(=O)N1CCC(CN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029954248 1341133759 /nfs/dbraw/zinc/13/37/59/1341133759.db2.gz WZEPDQOECDFCAF-TVPGTPATSA-N 0 3 345.443 3.231 20 5 EGBDHN CCCC(=O)N1CCC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001040577249 1345548664 /nfs/dbraw/zinc/54/86/64/1345548664.db2.gz RSHLQTDOLJHEQM-UHFFFAOYSA-N 0 3 345.443 3.209 20 5 EGBDHN O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001218130369 1373566348 /nfs/dbraw/zinc/56/63/48/1373566348.db2.gz YUCYNSBWNBZPBP-KFKAGJAMSA-N 0 3 340.379 3.160 20 5 EGBDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1Oc1ccc([N+](=O)[O-])nc1 ZINC001226710476 1375313674 /nfs/dbraw/zinc/31/36/74/1375313674.db2.gz LQXVGIWAYTXQCP-WMLDXEAASA-N 0 3 327.384 3.279 20 5 EGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226752077 1375324715 /nfs/dbraw/zinc/32/47/15/1375324715.db2.gz XITBECRISSHZJD-GUYCJALGSA-N 0 3 345.374 3.418 20 5 EGBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228654930 1375629514 /nfs/dbraw/zinc/62/95/14/1375629514.db2.gz NYVOVUZLHHUHQZ-INIZCTEOSA-N 0 3 342.399 3.064 20 5 EGBDHN CCCC(=O)Nc1c(O[C@@H]2CCCN(CC)C2)cccc1[N+](=O)[O-] ZINC001231362262 1376230832 /nfs/dbraw/zinc/23/08/32/1376230832.db2.gz LPFRYWGOJIGGHN-CYBMUJFWSA-N 0 3 335.404 3.197 20 5 EGBDHN CC(C)(CC(=O)NCCCNCc1ccccc1[N+](=O)[O-])C1CC1 ZINC001157533507 1380958869 /nfs/dbraw/zinc/95/88/69/1380958869.db2.gz YLWDMWNQBAVNHG-UHFFFAOYSA-N 0 3 333.432 3.017 20 5 EGBDHN CC(C)CC1(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)CC1 ZINC001159592922 1381839422 /nfs/dbraw/zinc/83/94/22/1381839422.db2.gz UYQAKUNEILOWKQ-UHFFFAOYSA-N 0 3 339.461 3.079 20 5 EGBDHN Cc1cc(N[C@H]2CN3CCC2CC3)c([N+](=O)[O-])cc1Br ZINC001163395639 1383041181 /nfs/dbraw/zinc/04/11/81/1383041181.db2.gz UPOYXSGXEJUPMX-ZDUSSCGKSA-N 0 3 340.221 3.172 20 5 EGBDHN COc1ccc(-c2nc(CN[C@H]3CC[C@H](C[N+](=O)[O-])C3)cs2)cc1 ZINC001168970964 1384074128 /nfs/dbraw/zinc/07/41/28/1384074128.db2.gz JIXXRMIKPJOBTM-JSGCOSHPSA-N 0 3 347.440 3.354 20 5 EGBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCn3cccc3[C@@H]2c2ccccc2)C1 ZINC001169007439 1384086153 /nfs/dbraw/zinc/08/61/53/1384086153.db2.gz NRZNXLLTLQWBSC-SUMDDJOVSA-N 0 3 325.412 3.339 20 5 EGBDHN COc1ccc(C[C@@H](C)NCc2cccnc2Cl)c([N+](=O)[O-])c1 ZINC001170311080 1384287954 /nfs/dbraw/zinc/28/79/54/1384287954.db2.gz ZCTYRXKNTSTPJT-LLVKDONJSA-N 0 3 335.791 3.373 20 5 EGBDHN COc1ccc(C[C@H](C)NCc2ccncc2Cl)c([N+](=O)[O-])c1 ZINC001170313010 1384288636 /nfs/dbraw/zinc/28/86/36/1384288636.db2.gz IHWNSPAHSGCBBI-NSHDSACASA-N 0 3 335.791 3.373 20 5 EGBDHN CCOC(=O)C[C@H]1CC[C@H](Nc2cc3c(cc2[N+](=O)[O-])CNC3)CC1 ZINC001170703037 1384369940 /nfs/dbraw/zinc/36/99/40/1384369940.db2.gz ZHDJDGXFAOGTLS-NNUKFRKNSA-N 0 3 347.415 3.122 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CC[C@H]3CCCO[C@H]3C1)CC2 ZINC001172905608 1384875398 /nfs/dbraw/zinc/87/53/98/1384875398.db2.gz SRFMRDDWQVUZLV-SUMDDJOVSA-N 0 3 330.428 3.343 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@](O)(C(F)(F)F)C1 ZINC001173226449 1384939878 /nfs/dbraw/zinc/93/98/78/1384939878.db2.gz LQYIRQXARJBCGK-JMSVASOKSA-N 0 3 346.349 3.161 20 5 EGBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]3CCCC[C@H]3C1)OCCO2 ZINC001320475294 1386620494 /nfs/dbraw/zinc/62/04/94/1386620494.db2.gz LIOMYOPYEBCPAP-KGLIPLIRSA-N 0 3 332.400 3.378 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]C[C@H](C)Cc2cccs2)c1[N+](=O)[O-] ZINC001333683539 1390374069 /nfs/dbraw/zinc/37/40/69/1390374069.db2.gz FAZJMYHSGLIOAP-LLVKDONJSA-N 0 3 336.413 3.339 20 5 EGBDHN C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178655004 232345485 /nfs/dbraw/zinc/34/54/85/232345485.db2.gz DHPLYQBJXKDEON-JSGCOSHPSA-N 0 3 335.404 3.255 20 5 EGBDHN CN(C)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1cccs1 ZINC000032806261 202235890 /nfs/dbraw/zinc/23/58/90/202235890.db2.gz MINJHYUNQKAXOK-VIFPVBQESA-N 0 3 337.430 3.080 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ncn(CN(C3CC3)C3CCCC3)n2)cc1 ZINC000032923225 202242596 /nfs/dbraw/zinc/24/25/96/202242596.db2.gz YSDUDICSTVYBMO-UHFFFAOYSA-N 0 3 327.388 3.218 20 5 EGBDHN Cc1nn(C)c(N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000267524494 201223230 /nfs/dbraw/zinc/22/32/30/201223230.db2.gz RIDKKVARTNRCKS-XJKSGUPXSA-N 0 3 343.431 3.102 20 5 EGBDHN C[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000278544215 201305161 /nfs/dbraw/zinc/30/51/61/201305161.db2.gz XUWUGWMERAYFLR-ZFWWWQNUSA-N 0 3 349.431 3.472 20 5 EGBDHN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000278024903 201309404 /nfs/dbraw/zinc/30/94/04/201309404.db2.gz WQUSDWKFWJDGPB-UKRRQHHQSA-N 0 3 349.431 3.330 20 5 EGBDHN COC(=O)[C@H]1CC[C@@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000193502252 240190888 /nfs/dbraw/zinc/19/08/88/240190888.db2.gz VEBBFYAHUAUTOU-UONOGXRCSA-N 0 3 344.367 3.286 20 5 EGBDHN Cc1cccc([C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)c1C ZINC000090550458 203616773 /nfs/dbraw/zinc/61/67/73/203616773.db2.gz HFZQZQLVSNZVFG-SFHVURJKSA-N 0 3 341.411 3.210 20 5 EGBDHN COc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000106465699 204196203 /nfs/dbraw/zinc/19/62/03/204196203.db2.gz RKQHGOLOQXRKLQ-INIZCTEOSA-N 0 3 345.399 3.123 20 5 EGBDHN NC(=O)C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000158585805 206199722 /nfs/dbraw/zinc/19/97/22/206199722.db2.gz SAFATLAJANJWKR-UHFFFAOYSA-N 0 3 345.424 3.021 20 5 EGBDHN Cc1nc(NC[C@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301667263 206480815 /nfs/dbraw/zinc/48/08/15/206480815.db2.gz OWBZGGFCUJDOLF-MRXNPFEDSA-N 0 3 326.400 3.375 20 5 EGBDHN O=[N+]([O-])c1cc(F)ccc1N1CCCN(Cc2ccccc2)CC1 ZINC000247293327 285095206 /nfs/dbraw/zinc/09/52/06/285095206.db2.gz BSAYWBTYKPEZPN-UHFFFAOYSA-N 0 3 329.375 3.446 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2cccc(O)c2)CC2CC2)c1 ZINC000154271520 224229246 /nfs/dbraw/zinc/22/92/46/224229246.db2.gz WNHCPXHDNOJWCQ-IBGZPJMESA-N 0 3 342.395 3.246 20 5 EGBDHN COc1ccc2oc([C@@H](C)NCCn3ccc([N+](=O)[O-])n3)c(C)c2c1 ZINC000184324360 533357209 /nfs/dbraw/zinc/35/72/09/533357209.db2.gz KLWIUDSCVMSCIO-GFCCVEGCSA-N 0 3 344.371 3.205 20 5 EGBDHN COc1ccc(-c2ccc(CNC[C@H]3CCCOC3)o2)c([N+](=O)[O-])c1 ZINC000237430442 141002268 /nfs/dbraw/zinc/00/22/68/141002268.db2.gz OIRPGTSGLQAFCM-CYBMUJFWSA-N 0 3 346.383 3.380 20 5 EGBDHN CCc1cccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000346469770 141201417 /nfs/dbraw/zinc/20/14/17/141201417.db2.gz AEBVRADPGBUWFZ-MRXNPFEDSA-N 0 3 326.400 3.239 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000192681996 144177816 /nfs/dbraw/zinc/17/78/16/144177816.db2.gz XHKMJADFONNDOE-BBRMVZONSA-N 0 3 343.431 3.195 20 5 EGBDHN NC(=O)c1ccc(CN[C@H]2CCCCC23CCCC3)c([N+](=O)[O-])c1 ZINC000361590773 144333320 /nfs/dbraw/zinc/33/33/20/144333320.db2.gz KBGOSSCXMASOIB-INIZCTEOSA-N 0 3 331.416 3.286 20 5 EGBDHN Cc1ccc([C@H](C)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000119903041 152237334 /nfs/dbraw/zinc/23/73/34/152237334.db2.gz FFNHNMHOSCKPIV-OAGGEKHMSA-N 0 3 335.448 3.053 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN2C[C@@H]3CCCC[C@@]32c2ccccc2)c1 ZINC000120158043 152256456 /nfs/dbraw/zinc/25/64/56/152256456.db2.gz COGHCDYWGFRRIQ-FUHWJXTLSA-N 0 3 326.400 3.193 20 5 EGBDHN CCN(CC)c1ncc(CNCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000194415821 153335173 /nfs/dbraw/zinc/33/51/73/153335173.db2.gz XKQXYTMORWMRHF-UHFFFAOYSA-N 0 3 334.445 3.230 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CCCN(Cc3ccccc3)CC2)c(F)c1 ZINC000323650281 154171638 /nfs/dbraw/zinc/17/16/38/154171638.db2.gz WOMDJVQBAVFTJN-UHFFFAOYSA-N 0 3 343.402 3.442 20 5 EGBDHN Cc1ccc(NC(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000337372267 154315169 /nfs/dbraw/zinc/31/51/69/154315169.db2.gz PBNRKHIYKFMAQR-KGLIPLIRSA-N 0 3 334.420 3.288 20 5 EGBDHN COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])nc1)N1CCCC1 ZINC000339939264 155042709 /nfs/dbraw/zinc/04/27/09/155042709.db2.gz VLPWHFUUXNYVST-INIZCTEOSA-N 0 3 342.399 3.247 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000368765534 157284669 /nfs/dbraw/zinc/28/46/69/157284669.db2.gz PNNJTWGSGXDOKN-QZTJIDSGSA-N 0 3 334.416 3.288 20 5 EGBDHN CC[C@@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N(CC)CC ZINC000359664808 286728180 /nfs/dbraw/zinc/72/81/80/286728180.db2.gz DCYWFIVWPLTBTL-INIZCTEOSA-N 0 3 333.432 3.206 20 5 EGBDHN C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000150876401 162557215 /nfs/dbraw/zinc/55/72/15/162557215.db2.gz AGSZKKNLBYYFOJ-WBVHZDCISA-N 0 3 340.427 3.479 20 5 EGBDHN COCC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC000337950080 163195205 /nfs/dbraw/zinc/19/52/05/163195205.db2.gz OXNUVFDHZYQNNO-HNNXBMFYSA-N 0 3 338.404 3.002 20 5 EGBDHN CCO[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])ccc2OC)C12CCCC2 ZINC000344105805 164103758 /nfs/dbraw/zinc/10/37/58/164103758.db2.gz QEQNLNWROQAALH-DLBZAZTESA-N 0 3 334.416 3.431 20 5 EGBDHN COc1ccccc1[C@@H]1CC[C@H](C)CN1CCn1ccc([N+](=O)[O-])n1 ZINC000352256034 165313862 /nfs/dbraw/zinc/31/38/62/165313862.db2.gz FVDPZIQRIKKKKR-HOCLYGCPSA-N 0 3 344.415 3.273 20 5 EGBDHN Cn1cc2c(n1)CCC[C@H]2NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000359003952 167035575 /nfs/dbraw/zinc/03/55/75/167035575.db2.gz OYUCXQOEYMSBKX-CQSZACIVSA-N 0 3 334.807 3.191 20 5 EGBDHN CC(=O)N1CC[C@H](NCc2ccc([N+](=O)[O-])cc2)c2ccccc2C1 ZINC000366700580 168130521 /nfs/dbraw/zinc/13/05/21/168130521.db2.gz XILDRIHMCKUPFN-IBGZPJMESA-N 0 3 339.395 3.178 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(CCN(C)C)CC(C)C ZINC000085636102 264666678 /nfs/dbraw/zinc/66/66/78/264666678.db2.gz JLUAVVVOMLZNSN-UHFFFAOYSA-N 0 3 336.436 3.263 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2ccc(F)cc2)C2CC2)c1 ZINC000269679030 266339325 /nfs/dbraw/zinc/33/93/25/266339325.db2.gz DLNWYFMRUJMVEE-SFHVURJKSA-N 0 3 330.359 3.432 20 5 EGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000273273352 267010110 /nfs/dbraw/zinc/01/01/10/267010110.db2.gz MSIPVRCMULWOSS-NSHDSACASA-N 0 3 339.823 3.051 20 5 EGBDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2C)[C@]12CCCO2 ZINC000274242986 267203677 /nfs/dbraw/zinc/20/36/77/267203677.db2.gz RAADKQMQBDHJFV-VIBAHUMZSA-N 0 3 334.416 3.280 20 5 EGBDHN COc1cc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1[O-] ZINC000281938113 275590175 /nfs/dbraw/zinc/59/01/75/275590175.db2.gz HTGZDSFWCNHXTG-SNVBAGLBSA-N 0 3 330.331 3.224 20 5 EGBDHN C[C@H](N[C@@H]1CCC[C@H]1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000282178759 275609157 /nfs/dbraw/zinc/60/91/57/275609157.db2.gz VPGPTHDDIHMDIN-GBIKHYSHSA-N 0 3 325.796 3.353 20 5 EGBDHN CCS[C@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286296392 275977616 /nfs/dbraw/zinc/97/76/16/275977616.db2.gz VIEDGQJMCOHACZ-GJZGRUSLSA-N 0 3 338.429 3.225 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CCCN3c4ccccc4C[C@@H]3C2)cc1F ZINC000289511828 276350585 /nfs/dbraw/zinc/35/05/85/276350585.db2.gz RBNXCEIRVWDZEB-MRXNPFEDSA-N 0 3 341.386 3.371 20 5 EGBDHN CC(C)c1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000251934773 278021901 /nfs/dbraw/zinc/02/19/01/278021901.db2.gz UEDLWKPBLBSIJO-CZUORRHYSA-N 0 3 333.432 3.130 20 5 EGBDHN O=C(c1ccc([N+](=O)[O-])cc1)N(CCN1CCCCCC1)C1CCC1 ZINC000345809293 280190001 /nfs/dbraw/zinc/19/00/01/280190001.db2.gz SODIZMFHJKPUEF-UHFFFAOYSA-N 0 3 345.443 3.466 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 ZINC000091937804 280397562 /nfs/dbraw/zinc/39/75/62/280397562.db2.gz DRUOIMSRXFPRKE-JKSUJKDBSA-N 0 3 345.443 3.076 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](C2(C)OCCO2)C1 ZINC000183854933 281021504 /nfs/dbraw/zinc/02/15/04/281021504.db2.gz KNBAQVYAROLVCM-GJZGRUSLSA-N 0 3 334.416 3.439 20 5 EGBDHN COc1cccc(CN(CCN(C)C)Cc2csc([N+](=O)[O-])c2)c1 ZINC000349384935 295296382 /nfs/dbraw/zinc/29/63/82/295296382.db2.gz QKYNJNBPCJDYOB-UHFFFAOYSA-N 0 3 349.456 3.229 20 5 EGBDHN Cc1ccc(CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665237 307381253 /nfs/dbraw/zinc/38/12/53/307381253.db2.gz AQQMOIKMVMYUJV-MRXNPFEDSA-N 0 3 326.400 3.027 20 5 EGBDHN Cc1cccc(OC[C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000152895675 307761322 /nfs/dbraw/zinc/76/13/22/307761322.db2.gz RTCGSCGUMJEEDE-HZPDHXFCSA-N 0 3 344.411 3.302 20 5 EGBDHN CC[C@@](CNCc1ccccc1[N+](=O)[O-])(C(=O)OC)c1ccccc1 ZINC000414595276 309091214 /nfs/dbraw/zinc/09/12/14/309091214.db2.gz ZFTVNSFVZLYTAS-IBGZPJMESA-N 0 3 342.395 3.205 20 5 EGBDHN C[C@@H](c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295592967 308341817 /nfs/dbraw/zinc/34/18/17/308341817.db2.gz MQTCIBSQGACSKU-UONOGXRCSA-N 0 3 333.432 3.269 20 5 EGBDHN C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000413291729 309025422 /nfs/dbraw/zinc/02/54/22/309025422.db2.gz CKVYZVYQQLIOBO-LRDDRELGSA-N 0 3 330.363 3.204 20 5 EGBDHN COc1ccc(NC(=O)C[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000416204052 309163570 /nfs/dbraw/zinc/16/35/70/309163570.db2.gz MXVJYGFADZWFRX-OAHLLOKOSA-N 0 3 343.383 3.235 20 5 EGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@H]2COCc3ccccc32)n1 ZINC000417359267 309202871 /nfs/dbraw/zinc/20/28/71/309202871.db2.gz IJPHBZVIKBBZCC-IXDOHACOSA-N 0 3 342.399 3.136 20 5 EGBDHN COc1cc(CNC[C@@H]2CC23CC3)c([N+](=O)[O-])cc1OCC(F)F ZINC000418094232 309235271 /nfs/dbraw/zinc/23/52/71/309235271.db2.gz JVPIUUDELQKBSS-NSHDSACASA-N 0 3 342.342 3.137 20 5 EGBDHN Cc1cc(N2CCNC[C@@](C)(F)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420265941 309278617 /nfs/dbraw/zinc/27/86/17/309278617.db2.gz QMSXPZKAXJGJQJ-CYBMUJFWSA-N 0 3 335.301 3.060 20 5 EGBDHN N[C@H](CC1CCCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423855350 309416849 /nfs/dbraw/zinc/41/68/49/309416849.db2.gz WMWBEVGIGAYQQY-OAHLLOKOSA-N 0 3 339.823 3.162 20 5 EGBDHN O=[N+]([O-])c1cc(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)cs1 ZINC000428545819 309554701 /nfs/dbraw/zinc/55/47/01/309554701.db2.gz LCXGBVCACAYOCR-GDBMZVCRSA-N 0 3 336.388 3.051 20 5 EGBDHN CO[C@H](CNC/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000449392999 310058494 /nfs/dbraw/zinc/05/84/94/310058494.db2.gz LJFMLCBRIMQQMG-VTSXBNNFSA-N 0 3 326.396 3.455 20 5 EGBDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@H]1n1cccn1 ZINC000449656675 310078013 /nfs/dbraw/zinc/07/80/13/310078013.db2.gz LWFABHMQKIJBBA-GVDBMIGSSA-N 0 3 344.415 3.078 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H](CCCO)C2)o1 ZINC000449787878 310087468 /nfs/dbraw/zinc/08/74/68/310087468.db2.gz CABKZSMPBGXUNG-CQSZACIVSA-N 0 3 330.384 3.449 20 5 EGBDHN Cc1ccc(C)c(OC[C@@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451097404 310160380 /nfs/dbraw/zinc/16/03/80/310160380.db2.gz DRAWINVTNJDBDB-YJBOKZPZSA-N 0 3 344.411 3.302 20 5 EGBDHN COc1ccc(NC(=O)[C@H](C)N[C@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451451706 310179133 /nfs/dbraw/zinc/17/91/33/310179133.db2.gz BFRMBBRLWVKBIL-LRDDRELGSA-N 0 3 347.415 3.243 20 5 EGBDHN CC(C)[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000452577171 310232876 /nfs/dbraw/zinc/23/28/76/310232876.db2.gz WWZBXOBEHJTISP-WMLDXEAASA-N 0 3 333.432 3.283 20 5 EGBDHN Cc1ccc(C[C@@H](CO)NC/C=C\c2ccccc2[N+](=O)[O-])cc1C ZINC000453627695 310285442 /nfs/dbraw/zinc/28/54/42/310285442.db2.gz MKZVTJQGHUBEQE-WPGJWXSHSA-N 0 3 340.423 3.418 20 5 EGBDHN CON1CCC(N(C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000453626505 310285452 /nfs/dbraw/zinc/28/54/52/310285452.db2.gz SVBYQYSCYGCGRP-UHFFFAOYSA-N 0 3 345.399 3.312 20 5 EGBDHN CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)N(CC)CC ZINC000456170232 310391775 /nfs/dbraw/zinc/39/17/75/310391775.db2.gz BTFJWYYNTXKZRX-INIZCTEOSA-N 0 3 336.436 3.474 20 5 EGBDHN Cc1ccc(CN[C@H]2CCN(c3ccccc3F)C2)cc1[N+](=O)[O-] ZINC000492133134 311219639 /nfs/dbraw/zinc/21/96/39/311219639.db2.gz RAYBCVSQMJXGOG-HNNXBMFYSA-N 0 3 329.375 3.411 20 5 EGBDHN Cc1ccc([C@@H](CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000499134143 311900176 /nfs/dbraw/zinc/90/01/76/311900176.db2.gz LBPPANYTCMJUTC-GOSISDBHSA-N 0 3 341.411 3.244 20 5 EGBDHN CCc1ccc([C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000513382626 312208435 /nfs/dbraw/zinc/20/84/35/312208435.db2.gz YBGIXMRXCDDQSC-QGZVFWFLSA-N 0 3 328.416 3.233 20 5 EGBDHN CCC1CCC(N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000514099041 312225080 /nfs/dbraw/zinc/22/50/80/312225080.db2.gz LGMBKRTZMQXQRN-UHFFFAOYSA-N 0 3 345.443 3.385 20 5 EGBDHN Cc1ccc(C[C@H](CO)N[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1C ZINC000514799729 312246418 /nfs/dbraw/zinc/24/64/18/312246418.db2.gz XRUKPYTXYOPADS-APWZRJJASA-N 0 3 340.423 3.392 20 5 EGBDHN COc1cc(NC[C@H](Cc2ccccc2)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000534917518 314006315 /nfs/dbraw/zinc/00/63/15/314006315.db2.gz WAZWLUQUKURRHX-AWEZNQCLSA-N 0 3 347.390 3.327 20 5 EGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2 ZINC000536856832 314150850 /nfs/dbraw/zinc/15/08/50/314150850.db2.gz GHXOCTLBSMDUJX-CYBMUJFWSA-N 0 3 328.368 3.355 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000539840495 314344744 /nfs/dbraw/zinc/34/47/44/314344744.db2.gz AIWMGEPVYVLBMF-HNNXBMFYSA-N 0 3 347.459 3.370 20 5 EGBDHN COc1ccc(OCCN[C@H](C)c2cnn(C(C)C)c2)c([N+](=O)[O-])c1 ZINC000541645984 314477579 /nfs/dbraw/zinc/47/75/79/314477579.db2.gz RRABTSZAIKZPLJ-CYBMUJFWSA-N 0 3 348.403 3.110 20 5 EGBDHN Cc1ccccc1C(C)(C)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000549867769 315108360 /nfs/dbraw/zinc/10/83/60/315108360.db2.gz FMAAFLRLIQYNDW-HNNXBMFYSA-N 0 3 344.411 3.168 20 5 EGBDHN CCC[C@@H](C)C(=O)NCCNC/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000552072110 315195408 /nfs/dbraw/zinc/19/54/08/315195408.db2.gz VVRFGGXBWFTOMQ-QKXCFHHRSA-N 0 3 333.432 3.140 20 5 EGBDHN C[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1CCCCCC1 ZINC000553725321 315278941 /nfs/dbraw/zinc/27/89/41/315278941.db2.gz RJDVCLCZYWORAR-CQSZACIVSA-N 0 3 333.432 3.211 20 5 EGBDHN C[C@@H]1CCC[C@@]1(O)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000561057530 315737629 /nfs/dbraw/zinc/73/76/29/315737629.db2.gz JVUVFFGGXSRXFZ-FZKQIMNGSA-N 0 3 330.384 3.496 20 5 EGBDHN C[C@H](C(=O)NCC(C)(C)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562387010 315827345 /nfs/dbraw/zinc/82/73/45/315827345.db2.gz GOGJNWMUQYVGDX-AWEZNQCLSA-N 0 3 333.432 3.079 20 5 EGBDHN O=C(CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])NC1CCCCC1 ZINC000564740772 316197580 /nfs/dbraw/zinc/19/75/80/316197580.db2.gz OQFYVDXEHMOOMS-INIZCTEOSA-N 0 3 331.416 3.011 20 5 EGBDHN O=C(CCN[C@@H]1CCc2ccc(F)cc21)Nc1ccccc1[N+](=O)[O-] ZINC000568741550 316816373 /nfs/dbraw/zinc/81/63/73/316816373.db2.gz XOEUDQBDVFMTKU-OAHLLOKOSA-N 0 3 343.358 3.340 20 5 EGBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1C1CCCC1 ZINC000572557921 317355316 /nfs/dbraw/zinc/35/53/16/317355316.db2.gz NBPNUDGFRIRUAW-SFHVURJKSA-N 0 3 345.443 3.051 20 5 EGBDHN Cc1nc(N2CCN(c3ccnc4ccccc43)CC2)ccc1[N+](=O)[O-] ZINC000574993875 317660560 /nfs/dbraw/zinc/66/05/60/317660560.db2.gz DXWLXYSWGABVBG-UHFFFAOYSA-N 0 3 349.394 3.173 20 5 EGBDHN CC(C)(C)[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000181614123 323493560 /nfs/dbraw/zinc/49/35/60/323493560.db2.gz RUZUWJFESITNHY-OAHLLOKOSA-N 0 3 338.358 3.447 20 5 EGBDHN CCOc1cccc2cc([C@@H](C)NCCn3ccc([N+](=O)[O-])n3)oc21 ZINC000182652069 323566372 /nfs/dbraw/zinc/56/63/72/323566372.db2.gz VKYUCJWMHSJZNO-GFCCVEGCSA-N 0 3 344.371 3.287 20 5 EGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1CN(C)C ZINC000184756743 323675303 /nfs/dbraw/zinc/67/53/03/323675303.db2.gz NHZWUVIORSEYOT-SJLPKXTDSA-N 0 3 347.459 3.106 20 5 EGBDHN Cc1cccc(CN(CCN(C)C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000578680169 325002996 /nfs/dbraw/zinc/00/29/96/325002996.db2.gz GCCHGQDCUPOUOY-UHFFFAOYSA-N 0 3 327.428 3.467 20 5 EGBDHN CC(C)(C)CCCCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579700592 325147689 /nfs/dbraw/zinc/14/76/89/325147689.db2.gz FBVSRHLQFRZUEY-UHFFFAOYSA-N 0 3 342.461 3.175 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C/CNCCOCC(F)(F)C(F)F ZINC000277537500 456855494 /nfs/dbraw/zinc/85/54/94/456855494.db2.gz 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AQKLBRYLGHPDEQ-WBMJQRKESA-N 0 3 345.443 3.306 20 5 EGBDHN CC(C)N(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000411413033 457881319 /nfs/dbraw/zinc/88/13/19/457881319.db2.gz YHBAPRGYASYQGM-UHFFFAOYSA-N 0 3 342.399 3.229 20 5 EGBDHN CCOC(=O)c1cc(NC[C@@H]2CCCCN2C2CC2)ccc1[N+](=O)[O-] ZINC000433790425 457887024 /nfs/dbraw/zinc/88/70/24/457887024.db2.gz XDBZMTWXZXQTJH-HNNXBMFYSA-N 0 3 347.415 3.200 20 5 EGBDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000444678193 457937451 /nfs/dbraw/zinc/93/74/51/457937451.db2.gz QXDDESCARROFGL-WMLDXEAASA-N 0 3 333.432 3.458 20 5 EGBDHN CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cc(F)cc(F)c1 ZINC000444692525 457942096 /nfs/dbraw/zinc/94/20/96/457942096.db2.gz FEVHAQFWBLXQBY-UHFFFAOYSA-N 0 3 349.337 3.334 20 5 EGBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000458203908 457967685 /nfs/dbraw/zinc/96/76/85/457967685.db2.gz PVZJYRUVZKBYSV-UHFFFAOYSA-N 0 3 347.440 3.169 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@@H](CO)C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000446840331 458236369 /nfs/dbraw/zinc/23/63/69/458236369.db2.gz YXIRIRSFSUHDCZ-KRWDZBQOSA-N 0 3 348.399 3.360 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(NCc2ccccc2OCCN(C)C)c1 ZINC000447060258 458259557 /nfs/dbraw/zinc/25/95/57/458259557.db2.gz ORSLQSWJQRJTRI-UHFFFAOYSA-N 0 3 329.400 3.456 20 5 EGBDHN C[C@H]1CCCN(CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000436312242 458286827 /nfs/dbraw/zinc/28/68/27/458286827.db2.gz ULVGGPMGPKCJKW-JTQLQIEISA-N 0 3 332.326 3.152 20 5 EGBDHN CCOc1cccc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447526431 458305074 /nfs/dbraw/zinc/30/50/74/458305074.db2.gz BKRHCINAUINPSS-SJORKVTESA-N 0 3 344.415 3.464 20 5 EGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2NCc2cc(F)cc(F)c2)n1 ZINC000447548115 458308894 /nfs/dbraw/zinc/30/88/94/458308894.db2.gz GFRZPSXNAICGQF-CABCVRRESA-N 0 3 336.342 3.343 20 5 EGBDHN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCCN1C1CCCC1 ZINC000373028849 458380496 /nfs/dbraw/zinc/38/04/96/458380496.db2.gz LWYUEVWVDOTNHR-KRWDZBQOSA-N 0 3 331.416 3.008 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Cc1ccc([C@H](C)NCC(C)(C)[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000595100012 459245761 /nfs/dbraw/zinc/24/57/61/459245761.db2.gz IBDGABBOGQYBGI-KSSFIOAISA-N 0 3 336.432 3.122 20 5 EGBDHN CC[C@@H](C)N(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582031425 459295005 /nfs/dbraw/zinc/29/50/05/459295005.db2.gz IZPZCQWSKJVBOY-SECBINFHSA-N 0 3 348.184 3.430 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC(CCO)CC3)o2)c1 ZINC000534333424 459316408 /nfs/dbraw/zinc/31/64/08/459316408.db2.gz PHHXJBJLXXMDDT-UHFFFAOYSA-N 0 3 330.384 3.449 20 5 EGBDHN CC(C)CNC(=O)CCCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000595520748 459333454 /nfs/dbraw/zinc/33/34/54/459333454.db2.gz CYUBGFIHFXJGKV-QGZVFWFLSA-N 0 3 347.459 3.327 20 5 EGBDHN CC[NH+](CC)[C@@H](CNc1cc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1 ZINC000596052720 459502333 /nfs/dbraw/zinc/50/23/33/459502333.db2.gz IKPIRYFWUIMFPT-HNNXBMFYSA-N 0 3 330.388 3.190 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCCN2CC[C@H](c3cccnc3)C2)cc1 ZINC000592140106 459534059 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COc1cc(CNCCc2ccc([N+](=O)[O-])cc2)c(Cl)cc1O ZINC000602544565 459991046 /nfs/dbraw/zinc/99/10/46/459991046.db2.gz LWXBXHQZFHFDOM-UHFFFAOYSA-N 0 3 336.775 3.295 20 5 EGBDHN C[C@H](CCc1cccn1C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602555046 459995451 /nfs/dbraw/zinc/99/54/51/459995451.db2.gz GFQRGRORAYAAAW-GFCCVEGCSA-N 0 3 328.372 3.185 20 5 EGBDHN C[C@@H]1C[C@H](CNCc2cc(Br)c([N+](=O)[O-])s2)CCO1 ZINC000602581409 460007593 /nfs/dbraw/zinc/00/75/93/460007593.db2.gz JRIGSMKOYFBVMU-RKDXNWHRSA-N 0 3 349.250 3.324 20 5 EGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCN1CCCCC1 ZINC000593882327 460008174 /nfs/dbraw/zinc/00/81/74/460008174.db2.gz HUBRJMPHXZHSOH-QGZVFWFLSA-N 0 3 347.459 3.108 20 5 EGBDHN Cc1cc(C)c(NC(=O)CNCCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000602585704 460010268 /nfs/dbraw/zinc/01/02/68/460010268.db2.gz HTDPEADUNKUUON-UHFFFAOYSA-N 0 3 341.411 3.291 20 5 EGBDHN C[C@@H]1COCC[C@H]1CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602656971 460047175 /nfs/dbraw/zinc/04/71/75/460047175.db2.gz 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CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000594198301 460145102 /nfs/dbraw/zinc/14/51/02/460145102.db2.gz GLWLKNRCYKUPIQ-HOCLYGCPSA-N 0 3 349.456 3.063 20 5 EGBDHN C[C@H](NCC[C@@H](O)COCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000599089910 460157829 /nfs/dbraw/zinc/15/78/29/460157829.db2.gz PSJQYGFWLAMIRE-HNAYVOBHSA-N 0 3 344.411 3.213 20 5 EGBDHN CC[C@@H](CN1CCCC1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610722106 460225628 /nfs/dbraw/zinc/22/56/28/460225628.db2.gz GSEQYKOPYOALRB-HNNXBMFYSA-N 0 3 348.447 3.004 20 5 EGBDHN COC1CCN(CCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000618984863 460241917 /nfs/dbraw/zinc/24/19/17/460241917.db2.gz BINHIKBDWMDFAX-GOSISDBHSA-N 0 3 347.459 3.018 20 5 EGBDHN CC1(C)C[C@@H](NCCOC[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000618984290 460242205 /nfs/dbraw/zinc/24/22/05/460242205.db2.gz VVKDFIMTBWDMMV-RHSMWYFYSA-N 0 3 334.416 3.102 20 5 EGBDHN O=C(CCN1CCCC(F)(F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000599552975 460273628 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O=C(OCC1CCN(Cc2ccco2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000120630285 1293331013 /nfs/dbraw/zinc/33/10/13/1293331013.db2.gz QIWROJOZHNTDOT-UHFFFAOYSA-N 0 3 344.367 3.257 20 5 EGBDHN O=C1N(CN2CCC[C@@H]2C2CCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154737910 1294067970 /nfs/dbraw/zinc/06/79/70/1294067970.db2.gz MRHNTTKVNXWMKZ-OAHLLOKOSA-N 0 3 344.415 3.059 20 5 EGBDHN Cc1cc(F)ncc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870455424 1295882415 /nfs/dbraw/zinc/88/24/15/1295882415.db2.gz ZJVJHMVBNJCEOZ-MEBBXXQBSA-N 0 3 336.294 3.232 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCN1CCSCC1 ZINC000872034328 1296684943 /nfs/dbraw/zinc/68/49/43/1296684943.db2.gz GUQMFBPTYLLTEY-GFCCVEGCSA-N 0 3 341.502 3.016 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000876654610 1298901054 /nfs/dbraw/zinc/90/10/54/1298901054.db2.gz KKAFHFNYQLYXII-MRXNPFEDSA-N 0 3 347.459 3.196 20 5 EGBDHN C[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)N1CCCCCC1 ZINC000756999014 1300607959 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334.416 3.459 20 5 EGBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CC[C@H]3SCCS[C@H]23)c(F)c1 ZINC000778105809 1304396665 /nfs/dbraw/zinc/39/66/65/1304396665.db2.gz HZZXWZLMLDSEAV-MGPQQGTHSA-N 0 3 328.434 3.203 20 5 EGBDHN Cc1cc(NC[C@H]2CC2(Cl)Cl)c2cc([N+](=O)[O-])ccc2n1 ZINC000782944802 1305026560 /nfs/dbraw/zinc/02/65/60/1305026560.db2.gz KXFNPVSATIAQRM-SECBINFHSA-N 0 3 326.183 3.479 20 5 EGBDHN Cc1cc(NCC[C@H](O)c2ccccc2)c2cc([N+](=O)[O-])ccc2n1 ZINC000782956513 1305030565 /nfs/dbraw/zinc/03/05/65/1305030565.db2.gz RJLCSXPAUARWQQ-IBGZPJMESA-N 0 3 337.379 3.409 20 5 EGBDHN COc1c([O-])ccc(C[NH2+][C@H](C)CCc2ccccc2)c1[N+](=O)[O-] ZINC000892446853 1305377481 /nfs/dbraw/zinc/37/74/81/1305377481.db2.gz MCRKVUWDJMSZGL-CYBMUJFWSA-N 0 3 330.384 3.420 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(C2OCCO2)CC1 ZINC000787406411 1305741477 /nfs/dbraw/zinc/74/14/77/1305741477.db2.gz LHJZHBIKKFCNNI-KAMYIIQDSA-N 0 3 332.400 3.083 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000790080063 1306258065 /nfs/dbraw/zinc/25/80/65/1306258065.db2.gz OJBNDQMTGPCSOY-DYVFJYSZSA-N 0 3 344.415 3.133 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]CCCc2ccccc2F)c1[N+](=O)[O-] ZINC000894177395 1306263524 /nfs/dbraw/zinc/26/35/24/1306263524.db2.gz DPBOTWDORLBRBT-UHFFFAOYSA-N 0 3 334.347 3.171 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1CN[C@@H](CCO)Cc1ccccc1 ZINC000894254406 1306304788 /nfs/dbraw/zinc/30/47/88/1306304788.db2.gz HCKUIMYJBWPCFQ-INIZCTEOSA-N 0 3 334.803 3.332 20 5 EGBDHN COCCN(Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@@H](C)C1 ZINC000790482178 1306336585 /nfs/dbraw/zinc/33/65/85/1306336585.db2.gz ZMBZAEVLWSURAV-UKRRQHHQSA-N 0 3 332.404 3.039 20 5 EGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000790582241 1306355952 /nfs/dbraw/zinc/35/59/52/1306355952.db2.gz FRRCSOIXVFXZKC-CQSZACIVSA-N 0 3 339.823 3.098 20 5 EGBDHN C[C@@H](CCNC(=O)OC(C)(C)C)NCc1ccc([N+](=O)[O-])cc1F ZINC000793601734 1309414339 /nfs/dbraw/zinc/41/43/39/1309414339.db2.gz RLIBPJBRYWOLFV-NSHDSACASA-N 0 3 341.383 3.127 20 5 EGBDHN CN(CCCN(C)C(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000797968809 1310276439 /nfs/dbraw/zinc/27/64/39/1310276439.db2.gz FIZSDXFMAZUDOL-UHFFFAOYSA-N 0 3 337.420 3.284 20 5 EGBDHN CCn1ccnc1[C@@H](C)NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000825005959 1320303166 /nfs/dbraw/zinc/30/31/66/1320303166.db2.gz WDDCORQNAUIQEU-CQSZACIVSA-N 0 3 343.431 3.131 20 5 EGBDHN CC[C@@](C)(N)c1cc(-c2ccc(N3CCCC3)c([N+](=O)[O-])c2)no1 ZINC000901398315 1317418947 /nfs/dbraw/zinc/41/89/47/1317418947.db2.gz OGVFWNALIZEHAA-QGZVFWFLSA-N 0 3 330.388 3.434 20 5 EGBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1=CCCCCC1 ZINC001020102265 1317544442 /nfs/dbraw/zinc/54/44/42/1317544442.db2.gz MTTSFIDIJCHIBU-QAQDUYKDSA-N 0 3 343.427 3.222 20 5 EGBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1CCC=CCC1 ZINC001021063098 1318064678 /nfs/dbraw/zinc/06/46/78/1318064678.db2.gz AGJKMYVNRNFEFL-QAQDUYKDSA-N 0 3 343.427 3.078 20 5 EGBDHN CC(COC(=O)c1ccn(-c2ccc(Cl)cc2Cl)n1)[N+](=O)[O-] ZINC000813112827 1318502427 /nfs/dbraw/zinc/50/24/27/1318502427.db2.gz UFWNVYRHMMXLCQ-QMMMGPOBSA-N 0 3 344.154 3.001 20 5 EGBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C(F)=C1CCCC1 ZINC001021964474 1318754408 /nfs/dbraw/zinc/75/44/08/1318754408.db2.gz XUDLGMYWPLEQFH-GASCZTMLSA-N 0 3 347.390 3.129 20 5 EGBDHN CCOc1cc(C)ccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819149124 1319650092 /nfs/dbraw/zinc/65/00/92/1319650092.db2.gz HGRMLVUWFYXHME-KRWDZBQOSA-N 0 3 330.384 3.125 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CCCCC2)cc1Cl ZINC000836367620 1320479093 /nfs/dbraw/zinc/47/90/93/1320479093.db2.gz QULSACOSZHUACV-GFCCVEGCSA-N 0 3 339.823 3.161 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C(=O)NCCN2CCC[C@H](C)C2)cc1Cl ZINC000836380907 1320480595 /nfs/dbraw/zinc/48/05/95/1320480595.db2.gz ADDKJOLRVJOXNJ-NSHDSACASA-N 0 3 339.823 3.018 20 5 EGBDHN O[C@@H]1CCN(C2CN(Cc3c4ccccc4cc4ccccc43)C2)C1 ZINC000843421970 1321516797 /nfs/dbraw/zinc/51/67/97/1321516797.db2.gz PIHJZLJYIRQNIH-LJQANCHMSA-N 0 3 332.447 3.244 20 5 EGBDHN CC([C@H](OC(=O)c1ccc2c(c1)CCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845874337 1321747761 /nfs/dbraw/zinc/74/77/61/1321747761.db2.gz HQCQPGJDIPZSJS-DIFFPNOSSA-N 0 3 345.326 3.324 20 5 EGBDHN COC1CCC(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000845874276 1321748033 /nfs/dbraw/zinc/74/80/33/1321748033.db2.gz GTSWVHNNLUOOGA-OCLKLICZSA-N 0 3 339.363 3.280 20 5 EGBDHN CCc1nc(C)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC000845875643 1321748502 /nfs/dbraw/zinc/74/85/02/1321748502.db2.gz AUVFMVYLJKDKKS-BONVTDFDSA-N 0 3 336.319 3.248 20 5 EGBDHN Cc1cc(C)nc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845877631 1321749535 /nfs/dbraw/zinc/74/95/35/1321749535.db2.gz FUVBOSITTPNUBF-BLLLJJGKSA-N 0 3 332.331 3.401 20 5 EGBDHN COC(=O)/C=C\c1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000848909159 1322042037 /nfs/dbraw/zinc/04/20/37/1322042037.db2.gz MFDCTROCFARDFC-HJWRWDBZSA-N 0 3 344.367 3.049 20 5 EGBDHN O=[N+]([O-])c1cc(I)cc(CN[C@@H]2C=CCC2)c1 ZINC000850359553 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EGBDHN CCC[N@@H+]1CCc2c(N)sc(Nc3cc([O-])cc([N+](=O)[O-])c3)c2C1 ZINC001199828809 1369278529 /nfs/dbraw/zinc/27/85/29/1369278529.db2.gz UFQYDHSWRFKUNT-UHFFFAOYSA-N 0 3 348.428 3.456 20 5 EGBDHN CCC[N@H+]1CCc2c(N)sc(Nc3cc([O-])cc([N+](=O)[O-])c3)c2C1 ZINC001199828809 1369278533 /nfs/dbraw/zinc/27/85/33/1369278533.db2.gz UFQYDHSWRFKUNT-UHFFFAOYSA-N 0 3 348.428 3.456 20 5 EGBDHN O=C(CC1CC1)NCC1(NCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001115377796 1370417285 /nfs/dbraw/zinc/41/72/85/1370417285.db2.gz CCQKJJXABUEESR-UHFFFAOYSA-N 0 3 345.443 3.304 20 5 EGBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226755937 1375326166 /nfs/dbraw/zinc/32/61/66/1375326166.db2.gz NHRZLKJEMSTTRF-DYVFJYSZSA-N 0 3 345.374 3.418 20 5 EGBDHN O=[N+]([O-])c1ccc(OC2CCN(C3CC3)CC2)cc1Br ZINC001229084737 1375759840 /nfs/dbraw/zinc/75/98/40/1375759840.db2.gz BIYCGHHGHBFDOB-UHFFFAOYSA-N 0 3 341.205 3.363 20 5 EGBDHN Cc1ccc(Cl)cc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001135499418 1377119577 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O=[N+]([O-])c1cc(N[C@H]2CCCC[C@@]23CNCCO3)cc2ccccc21 ZINC001163653895 1383095692 /nfs/dbraw/zinc/09/56/92/1383095692.db2.gz RPUDPCSIKQUNKY-RBUKOAKNSA-N 0 3 341.411 3.461 20 5 EGBDHN CCCC(C)(C)C(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001165582313 1383312635 /nfs/dbraw/zinc/31/26/35/1383312635.db2.gz TWOQCAQXDCUWNF-UHFFFAOYSA-N 0 3 327.450 3.079 20 5 EGBDHN CC[C@@H](NCCOC(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC001307634095 1384005972 /nfs/dbraw/zinc/00/59/72/1384005972.db2.gz YFOBGOUQZPNXQZ-GOSISDBHSA-N 0 3 342.395 3.421 20 5 EGBDHN COc1cccc(-c2nc(CN[C@H]3CC[C@@H](C[N+](=O)[O-])C3)cs2)c1 ZINC001169008718 1384087300 /nfs/dbraw/zinc/08/73/00/1384087300.db2.gz UJAKANHKPOSKCY-OCCSQVGLSA-N 0 3 347.440 3.354 20 5 EGBDHN Cc1cc(C)cc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)c1 ZINC001171951038 1384694438 /nfs/dbraw/zinc/69/44/38/1384694438.db2.gz SPVNMNUGUMIAHE-UHFFFAOYSA-N 0 3 347.440 3.183 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc([O-])cc1F)CC2 ZINC001172904340 1384874949 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C[NH+](C)Cc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[n-]2)cc1 ZINC000056474942 214376185 /nfs/dbraw/zinc/37/61/85/214376185.db2.gz XHDWHWLVAQHCMR-UHFFFAOYSA-N 0 3 338.367 3.390 20 5 EGBDHN CN(C)Cc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000056474942 214376187 /nfs/dbraw/zinc/37/61/87/214376187.db2.gz XHDWHWLVAQHCMR-UHFFFAOYSA-N 0 3 338.367 3.390 20 5 EGBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375463824 242057336 /nfs/dbraw/zinc/05/73/36/242057336.db2.gz GIAHYKDNDGYBAG-RISCZKNCSA-N 0 3 328.372 3.406 20 5 EGBDHN Cc1ccc(CN[C@@H](CO)Cc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000265258052 247346202 /nfs/dbraw/zinc/34/62/02/247346202.db2.gz QBXSGXGWFYJXCA-MRXNPFEDSA-N 0 3 339.395 3.078 20 5 EGBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1c(F)cccc1F ZINC000266292485 248229334 /nfs/dbraw/zinc/22/93/34/248229334.db2.gz KBBSYCOEPDHHCM-NVXWUHKLSA-N 0 3 336.338 3.475 20 5 EGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000266523865 248344581 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EGBDHN CCO[C@H]1C[C@H](NCc2ccc(OC)c([N+](=O)[O-])c2)C12CCCC2 ZINC000344625672 144201278 /nfs/dbraw/zinc/20/12/78/144201278.db2.gz JOFYQUSSWJFABH-IRXDYDNUSA-N 0 3 334.416 3.431 20 5 EGBDHN Cn1cc(CNCCC(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344697024 144211327 /nfs/dbraw/zinc/21/13/27/144211327.db2.gz FYQQODNXDOCDAP-UHFFFAOYSA-N 0 3 328.294 3.037 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000172698261 292282008 /nfs/dbraw/zinc/28/20/08/292282008.db2.gz XUEHUNTXHABPCI-UHFFFAOYSA-N 0 3 341.411 3.107 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](O)Cc1ccccc1)CCC2 ZINC000192833831 153262442 /nfs/dbraw/zinc/26/24/42/153262442.db2.gz NURZLUYMCNCSDE-HKUYNNGSSA-N 0 3 326.396 3.165 20 5 EGBDHN C[C@@H](N[C@@H](C)c1ccc(NC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000192846953 153263733 /nfs/dbraw/zinc/26/37/33/153263733.db2.gz IOUXEQLDOVKNBN-NWDGAFQWSA-N 0 3 328.372 3.497 20 5 EGBDHN O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000232462297 153447108 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20 5 EGBDHN CC(C)c1ccc(C(=O)N2CC[C@@H](N3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287315295 276107402 /nfs/dbraw/zinc/10/74/02/276107402.db2.gz UUOAUPNBTZREMU-WMLDXEAASA-N 0 3 345.443 3.417 20 5 EGBDHN Cc1ccc(CNC[C@]2(CO)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000289773656 276391967 /nfs/dbraw/zinc/39/19/67/276391967.db2.gz IYQVLHUYYWDFHV-MJGOQNOKSA-N 0 3 326.396 3.159 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC000290675568 276527758 /nfs/dbraw/zinc/52/77/58/276527758.db2.gz VGTNCNDKVVKUBS-KRWDZBQOSA-N 0 3 345.374 3.075 20 5 EGBDHN C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000185941759 278328055 /nfs/dbraw/zinc/32/80/55/278328055.db2.gz WDKXURKCUGKSDV-DYVFJYSZSA-N 0 3 342.399 3.408 20 5 EGBDHN C[C@@H](NCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000178642802 278347363 /nfs/dbraw/zinc/34/73/63/278347363.db2.gz OASVAGOLEPGZIF-OAHLLOKOSA-N 0 3 325.412 3.304 20 5 EGBDHN C[C@@H]1C[C@H](c2ccccc2)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000115554087 279004891 /nfs/dbraw/zinc/00/48/91/279004891.db2.gz VTFKHPVVVOSDRE-DYVFJYSZSA-N 0 3 339.395 3.072 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 ZINC000187264167 281008540 /nfs/dbraw/zinc/00/85/40/281008540.db2.gz ANUIHNDNGYOLFW-KDOFPFPSSA-N 0 3 341.411 3.324 20 5 EGBDHN CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(C1CC1)C1CC1 ZINC000050988751 307330019 /nfs/dbraw/zinc/33/00/19/307330019.db2.gz ALCTXRAZGOGSFO-UHFFFAOYSA-N 0 3 328.372 3.265 20 5 EGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]1c1ccco1 ZINC000414341069 309074021 /nfs/dbraw/zinc/07/40/21/309074021.db2.gz NZQBVOQTPQKROD-NILFDRSVSA-N 0 3 329.356 3.051 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248418290 308002809 /nfs/dbraw/zinc/00/28/09/308002809.db2.gz KFBLGIYXUCNLQG-JGGQBBKZSA-N 0 3 347.415 3.052 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)c1 ZINC000255628527 308056230 /nfs/dbraw/zinc/05/62/30/308056230.db2.gz AAWBDELPQJAYCY-KTKRTIGZSA-N 0 3 325.368 3.308 20 5 EGBDHN CC(C)(NC[C@@H](O)Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000293447049 308131684 /nfs/dbraw/zinc/13/16/84/308131684.db2.gz CGULICDGOBAHAG-HNNXBMFYSA-N 0 3 332.375 3.162 20 5 EGBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H]2CCC[C@@H]2CCO)c1 ZINC000294174374 308197056 /nfs/dbraw/zinc/19/70/56/308197056.db2.gz QCYCLAHDLMSQBY-QMTHXVAHSA-N 0 3 332.322 3.254 20 5 EGBDHN CN(C)[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1cccs1 ZINC000302468935 308737649 /nfs/dbraw/zinc/73/76/49/308737649.db2.gz TVLYVMJSLUAKDE-AWEZNQCLSA-N 0 3 332.429 3.339 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)[C@@H](C)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000331954584 308821983 /nfs/dbraw/zinc/82/19/83/308821983.db2.gz JOYZAKTWIDDFIT-LSDHHAIUSA-N 0 3 333.432 3.345 20 5 EGBDHN CCc1cnccc1[C@H](C)NCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000361136433 308896106 /nfs/dbraw/zinc/89/61/06/308896106.db2.gz QFSDLEWUJNDVFJ-ZDUSSCGKSA-N 0 3 345.399 3.290 20 5 EGBDHN O=[N+]([O-])c1cnc(N[C@@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000413040118 309012937 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Cc1c(CNC(=O)C(C)(C)[C@@H](N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000423812839 309414159 /nfs/dbraw/zinc/41/41/59/309414159.db2.gz RMFCUEWHCLWPEY-KRWDZBQOSA-N 0 3 341.411 3.246 20 5 EGBDHN Cc1c(CNC(=O)C(C)(C)[C@H](N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000423812841 309414168 /nfs/dbraw/zinc/41/41/68/309414168.db2.gz RMFCUEWHCLWPEY-QGZVFWFLSA-N 0 3 341.411 3.246 20 5 EGBDHN COc1ccc(-c2ccc(CN3C[C@H](O)C(C)(C)C3)o2)c([N+](=O)[O-])c1 ZINC000448361477 310003030 /nfs/dbraw/zinc/00/30/30/310003030.db2.gz HSAQWJIPRXSLER-KRWDZBQOSA-N 0 3 346.383 3.066 20 5 EGBDHN CCc1ccc([C@@H](CO)N[C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449217190 310045309 /nfs/dbraw/zinc/04/53/09/310045309.db2.gz XPCIJPONCGTCAU-RDTXWAMCSA-N 0 3 328.412 3.411 20 5 EGBDHN CCC1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)COC1 ZINC000449604720 310075042 /nfs/dbraw/zinc/07/50/42/310075042.db2.gz YETJFWKCEQJNSP-UHFFFAOYSA-N 0 3 333.413 3.235 20 5 EGBDHN CCO[C@H]1C[C@@H](NCc2cc(OC)c(F)cc2[N+](=O)[O-])C12CCC2 ZINC000451474074 310180127 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3.453 20 5 EGBDHN COc1cccc2c1CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)CC2 ZINC000489551373 311111545 /nfs/dbraw/zinc/11/15/45/311111545.db2.gz ONEJUWGQQJBCCM-UHFFFAOYSA-N 0 3 342.395 3.213 20 5 EGBDHN CN(Cc1cccc([N+](=O)[O-])c1)C1CCN(CCC(F)(F)F)CC1 ZINC000489829244 311121984 /nfs/dbraw/zinc/12/19/84/311121984.db2.gz IUGQUZGBACVYLA-UHFFFAOYSA-N 0 3 345.365 3.443 20 5 EGBDHN C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCc1csc([N+](=O)[O-])c1 ZINC000496201186 311677514 /nfs/dbraw/zinc/67/75/14/311677514.db2.gz SWYNIPPEABOFCE-GHMZBOCLSA-N 0 3 343.449 3.438 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](O)CCc1ccccc1 ZINC000516663187 312336566 /nfs/dbraw/zinc/33/65/66/312336566.db2.gz HERMCLIUQHHGPQ-MAUKXSAKSA-N 0 3 326.396 3.165 20 5 EGBDHN COc1ccc(-c2ccc(CNC[C@@](C)(O)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000538398267 314244749 /nfs/dbraw/zinc/24/47/49/314244749.db2.gz HUUFBHKVPKMDIB-GOSISDBHSA-N 0 3 348.399 3.360 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)c(NCCCN2CCC(O)CC2)c(Cl)c1 ZINC000121886785 454489264 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O=[N+]([O-])c1cccc(OC[C@@H](O)CN(Cc2cccs2)C2CC2)c1 ZINC000045008557 454132920 /nfs/dbraw/zinc/13/29/20/454132920.db2.gz JJLFZGRBCAAFLP-HNNXBMFYSA-N 0 3 348.424 3.061 20 5 EGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1N(C)C ZINC000089580575 454163163 /nfs/dbraw/zinc/16/31/63/454163163.db2.gz HHXSGDFJOWMBAR-CQSZACIVSA-N 0 3 329.400 3.390 20 5 EGBDHN Cc1cc(NC2CCN([C@@H]3CCOC3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000089603061 454166917 /nfs/dbraw/zinc/16/69/17/454166917.db2.gz SNHLLMKGXQGSRJ-CYBMUJFWSA-N 0 3 339.823 3.222 20 5 EGBDHN Cc1ccc([C@@H](C)NC(=O)C[C@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000119381428 454190770 /nfs/dbraw/zinc/19/07/70/454190770.db2.gz LISMFASLTQANHD-CJNGLKHVSA-N 0 3 327.384 3.171 20 5 EGBDHN C[C@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000095968081 454242254 /nfs/dbraw/zinc/24/22/54/454242254.db2.gz KLHYEFPMIDSMDH-XJKSGUPXSA-N 0 3 339.395 3.330 20 5 EGBDHN COc1ccccc1[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000095972795 454245078 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EGBDHN CC(C)c1ccc(CN2CCC[C@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000092070348 454514215 /nfs/dbraw/zinc/51/42/15/454514215.db2.gz BIRGUUIGXQAECY-INIZCTEOSA-N 0 3 343.431 3.222 20 5 EGBDHN Cc1cccc([C@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000246210060 455449891 /nfs/dbraw/zinc/44/98/91/455449891.db2.gz CBCFNVUMWOQVFQ-QZTJIDSGSA-N 0 3 327.384 3.169 20 5 EGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN[C@@H](c1ccccc1)C1CC1 ZINC000182198070 455458903 /nfs/dbraw/zinc/45/89/03/455458903.db2.gz GZAUTFBKQCRTRU-APWZRJJASA-N 0 3 342.395 3.075 20 5 EGBDHN COc1ccc(CN(C)CCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000065208692 454538056 /nfs/dbraw/zinc/53/80/56/454538056.db2.gz OGHSDKNPTVBRPW-UHFFFAOYSA-N 0 3 346.383 3.123 20 5 EGBDHN C[C@H]1CN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000092540257 454582591 /nfs/dbraw/zinc/58/25/91/454582591.db2.gz XFQKNZYEBCBNOM-STQMWFEESA-N 0 3 346.456 3.321 20 5 EGBDHN Cc1ccccc1CN1CCC(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000052406895 454670626 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Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)N(Cc3ccccc3)CC2)n1 ZINC000178243065 454944155 /nfs/dbraw/zinc/94/41/55/454944155.db2.gz GIXPEHSFKSKPER-INIZCTEOSA-N 0 3 340.427 3.399 20 5 EGBDHN C[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCOCC1 ZINC000179871383 455091823 /nfs/dbraw/zinc/09/18/23/455091823.db2.gz OEWBNEZRKOUDSC-GFCCVEGCSA-N 0 3 331.372 3.155 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@]4(CCOC4)C3)o2)cc1 ZINC000180135795 455137959 /nfs/dbraw/zinc/13/79/59/455137959.db2.gz OMYYUEIYNLBUQB-GOSISDBHSA-N 0 3 328.368 3.467 20 5 EGBDHN CC(C)c1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1[N+](=O)[O-] ZINC000189491609 455206332 /nfs/dbraw/zinc/20/63/32/455206332.db2.gz IOUCLENNYLGPEG-INIZCTEOSA-N 0 3 345.443 3.419 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000245524339 455320418 /nfs/dbraw/zinc/32/04/18/455320418.db2.gz NLCYSFPBENCQJF-GOEBONIOSA-N 0 3 345.443 3.202 20 5 EGBDHN COC(=O)c1ccccc1OCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182428380 455511592 /nfs/dbraw/zinc/51/15/92/455511592.db2.gz JTWBUKRRBAIIMF-ZDUSSCGKSA-N 0 3 344.367 3.111 20 5 EGBDHN CCC1(CC)[C@H](N[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000247891923 455652159 /nfs/dbraw/zinc/65/21/59/455652159.db2.gz FQEPVUSABIZGML-WQVCFCJDSA-N 0 3 349.431 3.105 20 5 EGBDHN NC(=O)Nc1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192645824 455660859 /nfs/dbraw/zinc/66/08/59/455660859.db2.gz XEKGKRIYBZKTSI-KRWDZBQOSA-N 0 3 340.383 3.253 20 5 EGBDHN COCCc1nc(C)c([C@H](C)NCCc2ccccc2[N+](=O)[O-])s1 ZINC000271559173 455684693 /nfs/dbraw/zinc/68/46/93/455684693.db2.gz NYIYNHINJSREPY-LBPRGKRZSA-N 0 3 349.456 3.442 20 5 EGBDHN COC[C@@H](NCCc1ccccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000271670166 455718481 /nfs/dbraw/zinc/71/84/81/455718481.db2.gz GHUVXKSXTPTGCC-MRXNPFEDSA-N 0 3 336.338 3.393 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000194480832 455848405 /nfs/dbraw/zinc/84/84/05/455848405.db2.gz MNHMYFIUTAMSIX-CYBMUJFWSA-N 0 3 333.432 3.144 20 5 EGBDHN CCOc1cc(NC[C@@H]2NCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000261626411 455916298 /nfs/dbraw/zinc/91/62/98/455916298.db2.gz GVKKLKKXYWMEQG-INIZCTEOSA-N 0 3 327.384 3.292 20 5 EGBDHN O=[N+]([O-])c1cccc(CNCCCOCCOCc2ccccc2)c1 ZINC000272393314 455935979 /nfs/dbraw/zinc/93/59/79/455935979.db2.gz AFKVEMBMEWSYSA-UHFFFAOYSA-N 0 3 344.411 3.308 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CC(C)C)CN1CCCC1 ZINC000296519500 455961208 /nfs/dbraw/zinc/96/12/08/455961208.db2.gz VMCFWIFIXIPNIS-HNNXBMFYSA-N 0 3 333.432 3.144 20 5 EGBDHN COC(=O)c1csc([C@H](C)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000286141258 455985819 /nfs/dbraw/zinc/98/58/19/455985819.db2.gz OYOQUDCCJYBSEC-NSHDSACASA-N 0 3 334.397 3.336 20 5 EGBDHN O=[N+]([O-])c1cnc(N2CC[C@@]3(CCN(Cc4ccccc4)C3)C2)s1 ZINC000286177455 455994352 /nfs/dbraw/zinc/99/43/52/455994352.db2.gz AGOCCOGGZYQPCN-QGZVFWFLSA-N 0 3 344.440 3.154 20 5 EGBDHN CC(=O)c1cc(N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000286195414 455999022 /nfs/dbraw/zinc/99/90/22/455999022.db2.gz LXXGXGZWZDNEDH-KBXCAEBGSA-N 0 3 343.427 3.251 20 5 EGBDHN COC[C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)OC ZINC000272632594 456019285 /nfs/dbraw/zinc/01/92/85/456019285.db2.gz BGEZOEIEGPEMNM-LBPRGKRZSA-N 0 3 336.413 3.074 20 5 EGBDHN CCS[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286308597 456020928 /nfs/dbraw/zinc/02/09/28/456020928.db2.gz VZYWCTJQKAQDDT-HUUCEWRRSA-N 0 3 337.445 3.106 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000296951207 456073157 /nfs/dbraw/zinc/07/31/57/456073157.db2.gz REBIKLKCKKRPMV-CYBMUJFWSA-N 0 3 346.431 3.241 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(NCc2ccccc2CN2CC[C@@H](O)C2)c1 ZINC000273079497 456172058 /nfs/dbraw/zinc/17/20/58/456172058.db2.gz HAVDOEBKLCRLAH-QGZVFWFLSA-N 0 3 341.411 3.082 20 5 EGBDHN Cc1ccc(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000236776184 456181646 /nfs/dbraw/zinc/18/16/46/456181646.db2.gz LROFKGICUTWCCF-QGZVFWFLSA-N 0 3 341.411 3.456 20 5 EGBDHN CCCC(=O)NC[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000263781541 456221637 /nfs/dbraw/zinc/22/16/37/456221637.db2.gz VNBUGUJFJFYHQD-OAHLLOKOSA-N 0 3 333.432 3.032 20 5 EGBDHN C[C@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCN1C ZINC000334042723 456290187 /nfs/dbraw/zinc/29/01/87/456290187.db2.gz XAPBBMKMAJDWAR-GXTWGEPZSA-N 0 3 333.432 3.105 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000336790701 456309112 /nfs/dbraw/zinc/30/91/12/456309112.db2.gz LUYKATLLKTZWPJ-CJNGLKHVSA-N 0 3 343.431 3.195 20 5 EGBDHN COc1cc(CN[C@H]2CSC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000352795763 456316792 /nfs/dbraw/zinc/31/67/92/456316792.db2.gz FFPZPKFLVQNURH-SCZZXKLOSA-N 0 3 348.371 3.046 20 5 EGBDHN C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@H]1C ZINC000343083110 456394706 /nfs/dbraw/zinc/39/47/06/456394706.db2.gz XUEKOLJRQYFLHW-OLZOCXBDSA-N 0 3 345.399 3.334 20 5 EGBDHN Cc1cc(CN(C)C)cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000340333933 456395815 /nfs/dbraw/zinc/39/58/15/456395815.db2.gz CBTIYXJMMRACLQ-UHFFFAOYSA-N 0 3 345.374 3.285 20 5 EGBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](O)CN1CCC(C)CC1 ZINC000302835767 456413932 /nfs/dbraw/zinc/41/39/32/456413932.db2.gz VURZXAJNFVWTSM-CQSZACIVSA-N 0 3 341.839 3.061 20 5 EGBDHN CO[C@@](C)(CNCc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000291073447 456519143 /nfs/dbraw/zinc/51/91/43/456519143.db2.gz SFNYTOUJMWQNEU-HNNXBMFYSA-N 0 3 330.331 3.101 20 5 EGBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000353170365 456538225 /nfs/dbraw/zinc/53/82/25/456538225.db2.gz GRGASJYMGOKKEC-GFCCVEGCSA-N 0 3 326.356 3.201 20 5 EGBDHN C[C@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000340727119 456651641 /nfs/dbraw/zinc/65/16/41/456651641.db2.gz SKENRETWLFEOTL-GFCCVEGCSA-N 0 3 333.432 3.105 20 5 EGBDHN Cc1cc(NCCCc2nccs2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340808191 456695528 /nfs/dbraw/zinc/69/55/28/456695528.db2.gz XBEOARCZJQOGES-UHFFFAOYSA-N 0 3 328.397 3.375 20 5 EGBDHN CCCN1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000343570385 456714742 /nfs/dbraw/zinc/71/47/42/456714742.db2.gz MPFVLWPZAOAYJN-OAHLLOKOSA-N 0 3 333.432 3.322 20 5 EGBDHN CC(C)Cc1ccc([C@H](CNc2c([N+](=O)[O-])ncn2C)N(C)C)cc1 ZINC000340903147 456750967 /nfs/dbraw/zinc/75/09/67/456750967.db2.gz RSVLFRUBUPAZMN-INIZCTEOSA-N 0 3 345.447 3.242 20 5 EGBDHN CCc1nn(C)c(NC[C@H](N[C@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000340972286 456791894 /nfs/dbraw/zinc/79/18/94/456791894.db2.gz PVPYRKMCFHJQFZ-YPMHNXCESA-N 0 3 335.408 3.025 20 5 EGBDHN COc1cc(CN(C)CCc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000348671570 456809388 /nfs/dbraw/zinc/80/93/88/456809388.db2.gz KTBLABJPWBRCKS-UHFFFAOYSA-N 0 3 330.384 3.287 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1NC[C@H](C)N1CCc2ccccc2C1 ZINC000301195567 456819836 /nfs/dbraw/zinc/81/98/36/456819836.db2.gz NVSOFJSBIZTGKR-AWEZNQCLSA-N 0 3 326.400 3.157 20 5 EGBDHN Cc1ccoc1CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000292105981 456855881 /nfs/dbraw/zinc/85/58/81/456855881.db2.gz GOZABWQWVVVRDT-UHFFFAOYSA-N 0 3 335.335 3.096 20 5 EGBDHN Cc1ccc(C)c(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000353725798 456874032 /nfs/dbraw/zinc/87/40/32/456874032.db2.gz XMGQIYVNZQKQFN-MRXNPFEDSA-N 0 3 326.400 3.293 20 5 EGBDHN CN(CCc1ccc([N+](=O)[O-])cc1)Cc1cnn(-c2ccccc2)c1 ZINC000339005376 456895361 /nfs/dbraw/zinc/89/53/61/456895361.db2.gz OJUNFYZXYNPWDQ-UHFFFAOYSA-N 0 3 336.395 3.455 20 5 EGBDHN CCc1ccc(C(=O)NC[C@@H](C)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000349471683 456974333 /nfs/dbraw/zinc/97/43/33/456974333.db2.gz WATORHQJSQRIIG-CQSZACIVSA-N 0 3 333.432 3.007 20 5 EGBDHN C/C=C\C[C@@H](CO)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000349820323 457066839 /nfs/dbraw/zinc/06/68/39/457066839.db2.gz FNNBVDVZWYVWLM-SCOBNMCVSA-N 0 3 346.383 3.280 20 5 EGBDHN COc1ccc(-c2ccc(CNC[C@H](OC)C3CC3)o2)c([N+](=O)[O-])c1 ZINC000339526323 457136277 /nfs/dbraw/zinc/13/62/77/457136277.db2.gz GDMZHBOXMSROTN-SFHVURJKSA-N 0 3 346.383 3.378 20 5 EGBDHN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)N1C ZINC000354448981 457229954 /nfs/dbraw/zinc/22/99/54/457229954.db2.gz PSAOQSPOIVEMTR-ZIAGYGMSSA-N 0 3 329.400 3.379 20 5 EGBDHN C[C@H](C1CCC1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000357020634 457281276 /nfs/dbraw/zinc/28/12/76/457281276.db2.gz FYOITKCIBDTQBD-SNVBAGLBSA-N 0 3 325.796 3.307 20 5 EGBDHN CCOCCO[C@@H]1CCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347347155 457365608 /nfs/dbraw/zinc/36/56/08/457365608.db2.gz VTWYPIILGGYJCH-VHUCWBOISA-N 0 3 334.416 3.126 20 5 EGBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(-n2ccnc2)cc1 ZINC000352549926 457459604 /nfs/dbraw/zinc/45/96/04/457459604.db2.gz JGALOQGFYNYWHG-UHFFFAOYSA-N 0 3 336.395 3.455 20 5 EGBDHN Cc1nc(S[C@H]2CCCN(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000425280515 457481340 /nfs/dbraw/zinc/48/13/40/457481340.db2.gz KGRKWMCKFAASRE-HNNXBMFYSA-N 0 3 344.440 3.450 20 5 EGBDHN C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H](C)CN1C ZINC000361153849 457616721 /nfs/dbraw/zinc/61/67/21/457616721.db2.gz KRQZTJUKJJMOGO-KBPBESRZSA-N 0 3 329.400 3.379 20 5 EGBDHN COc1cccc(CN(CCN(C)C)c2ccccc2[N+](=O)[O-])c1 ZINC000357669367 457648566 /nfs/dbraw/zinc/64/85/66/457648566.db2.gz CLHFVRNUTLDFPS-UHFFFAOYSA-N 0 3 329.400 3.172 20 5 EGBDHN NC(=O)c1ccc(CN2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000433058277 457655027 /nfs/dbraw/zinc/65/50/27/457655027.db2.gz KJVDHVJOFCQXET-MRXNPFEDSA-N 0 3 339.395 3.073 20 5 EGBDHN CCOc1ccc([C@@H](C)NCCc2nc(C)oc2C)cc1[N+](=O)[O-] ZINC000357796051 457693087 /nfs/dbraw/zinc/69/30/87/457693087.db2.gz PFFMGXNGELJONZ-LLVKDONJSA-N 0 3 333.388 3.492 20 5 EGBDHN C[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358083292 457773601 /nfs/dbraw/zinc/77/36/01/457773601.db2.gz KRIBHSQPOUQJLE-NWDGAFQWSA-N 0 3 345.424 3.205 20 5 EGBDHN C[C@H](NC[C@@H]1COCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358214812 457864328 /nfs/dbraw/zinc/86/43/28/457864328.db2.gz FIECCKPOCYUYSA-QWHCGFSZSA-N 0 3 348.424 3.389 20 5 EGBDHN O=C(CCNC1(c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411463456 457895266 /nfs/dbraw/zinc/89/52/66/457895266.db2.gz ZZCKMESWZLOJNB-UHFFFAOYSA-N 0 3 325.368 3.202 20 5 EGBDHN CC[C@@H]1CCCC[C@H]1N(C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000444675658 457935334 /nfs/dbraw/zinc/93/53/34/457935334.db2.gz MIEQCYLPDPPYCL-RHSMWYFYSA-N 0 3 345.443 3.385 20 5 EGBDHN Cc1cccc(O[C@@H]2CCCC[C@H]2NCc2c([N+](=O)[O-])ncn2C)c1 ZINC000362020170 458009359 /nfs/dbraw/zinc/00/93/59/458009359.db2.gz WSYHIKKBSVJFEO-NVXWUHKLSA-N 0 3 344.415 3.117 20 5 EGBDHN Cc1ccc(NC(=O)c2ccc(NCCN(C)C)c([N+](=O)[O-])c2)cc1 ZINC000358473024 458023085 /nfs/dbraw/zinc/02/30/85/458023085.db2.gz UQXZKJUJGXLIFU-UHFFFAOYSA-N 0 3 342.399 3.129 20 5 EGBDHN Cc1c(CC(=O)Nc2ccc(CN(C)C)cc2F)cccc1[N+](=O)[O-] ZINC000412561688 458234024 /nfs/dbraw/zinc/23/40/24/458234024.db2.gz UOIPBOFYLYVONG-UHFFFAOYSA-N 0 3 345.374 3.285 20 5 EGBDHN C[C@@H]1C[C@@H]1N1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429027567 458261252 /nfs/dbraw/zinc/26/12/52/458261252.db2.gz MLPHLMGIKXBACZ-XNJGSVPQSA-N 0 3 337.851 3.410 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(C/C=C/c3ccc(F)cc3)CC2)n1 ZINC000369555805 458264612 /nfs/dbraw/zinc/26/46/12/458264612.db2.gz GULZCNNYPSEJPK-OWOJBTEDSA-N 0 3 330.363 3.281 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3cccc4cccnc43)CC2)n1 ZINC000369698576 458318340 /nfs/dbraw/zinc/31/83/40/458318340.db2.gz WLSOAXPXEOGIJA-UHFFFAOYSA-N 0 3 337.383 3.177 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1N(C)CCCC1(C)C ZINC000447910777 458365446 /nfs/dbraw/zinc/36/54/46/458365446.db2.gz DHPCLEDIJNFZGC-HNNXBMFYSA-N 0 3 334.420 3.145 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN(CCO)[C@@H]1CC[C@@H](C)C1 ZINC000429758762 458367659 /nfs/dbraw/zinc/36/76/59/458367659.db2.gz JOBLUSQIMIDAHC-GDBMZVCRSA-N 0 3 336.432 3.365 20 5 EGBDHN CC(C)(CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000429851893 458378195 /nfs/dbraw/zinc/37/81/95/458378195.db2.gz RZKRNINUZFSRSO-UHFFFAOYSA-N 0 3 347.459 3.253 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000468484325 458520281 /nfs/dbraw/zinc/52/02/81/458520281.db2.gz RRUWSTWPLZUCFL-OAHLLOKOSA-N 0 3 347.459 3.370 20 5 EGBDHN CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCC(C)(C)CC1 ZINC000438483288 458584159 /nfs/dbraw/zinc/58/41/59/458584159.db2.gz MKYPDXJSEUAQRD-UHFFFAOYSA-N 0 3 333.432 3.458 20 5 EGBDHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000470147070 458616254 /nfs/dbraw/zinc/61/62/54/458616254.db2.gz CEEXRMXWVOSTFX-BLLLJJGKSA-N 0 3 344.367 3.238 20 5 EGBDHN C[C@H]1CN(CCCNc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000432141826 458689076 /nfs/dbraw/zinc/68/90/76/458689076.db2.gz XLJJCSJZUQHTHV-LBPRGKRZSA-N 0 3 327.812 3.161 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCCN1CC(C)C ZINC000439680384 458737918 /nfs/dbraw/zinc/73/79/18/458737918.db2.gz DRPSFPQTFVIXSO-INIZCTEOSA-N 0 3 333.432 3.144 20 5 EGBDHN CC(C)c1ccc(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000457082809 458858222 /nfs/dbraw/zinc/85/82/22/458858222.db2.gz FBBQIIPVGQXEON-HNNXBMFYSA-N 0 3 333.432 3.273 20 5 EGBDHN CC[C@H](O)CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000441072176 458883996 /nfs/dbraw/zinc/88/39/96/458883996.db2.gz ZUKFPQYDQIELQX-SFHVURJKSA-N 0 3 344.411 3.247 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](CO)CC1CCCC1 ZINC000466426600 458899486 /nfs/dbraw/zinc/89/94/86/458899486.db2.gz VLYOPLILDJHEFI-HNNXBMFYSA-N 0 3 336.432 3.272 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC[C@@H](CO)c1ccc(F)cc1 ZINC000566475031 458944645 /nfs/dbraw/zinc/94/46/45/458944645.db2.gz ITVQNCTUVRBFAV-SUMWQHHRSA-N 0 3 330.359 3.087 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN2CCc3ccccc3[C@@H]2c2ccccc2)n1 ZINC000478016219 459071090 /nfs/dbraw/zinc/07/10/90/459071090.db2.gz KWHKOBBBQPHNFJ-FQEVSTJZSA-N 0 3 348.406 3.439 20 5 EGBDHN O=[N+]([O-])c1cnc(N[C@H]2CCCN3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000594596661 459103269 /nfs/dbraw/zinc/10/32/69/459103269.db2.gz AZVSQQMRWZSSAI-QWHCGFSZSA-N 0 3 344.337 3.437 20 5 EGBDHN CCCN1CC[C@H](NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000594991911 459207144 /nfs/dbraw/zinc/20/71/44/459207144.db2.gz NFJLYLWLDZWIJI-HNNXBMFYSA-N 0 3 329.400 3.429 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1Cc2ccccc2O1 ZINC000595003372 459211092 /nfs/dbraw/zinc/21/10/92/459211092.db2.gz FEXJKUTUPUBXPC-DOMZBBRYSA-N 0 3 328.368 3.258 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)Cc1c(C)noc1C ZINC000595007052 459212343 /nfs/dbraw/zinc/21/23/43/459212343.db2.gz FJTIHYBBNOCVSU-GHMZBOCLSA-N 0 3 333.388 3.490 20 5 EGBDHN CCC1CCC(N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000533310322 459218653 /nfs/dbraw/zinc/21/86/53/459218653.db2.gz LVIIELQNICECHI-UHFFFAOYSA-N 0 3 349.431 3.443 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)[C@@H](O)Cc1ccccc1 ZINC000595022539 459219761 /nfs/dbraw/zinc/21/97/61/459219761.db2.gz MPPCNTVKDNTOHC-DEYYWGMASA-N 0 3 344.411 3.246 20 5 EGBDHN CC(C)CNC(=O)CCCN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595403654 459290572 /nfs/dbraw/zinc/29/05/72/459290572.db2.gz GVDZOVDZZORBCK-UHFFFAOYSA-N 0 3 333.432 3.112 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCOC[C@@H]1CCOC1)CCCC2 ZINC000591347961 459358781 /nfs/dbraw/zinc/35/87/81/459358781.db2.gz LKIZVNBZZROPKA-KDOFPFPSSA-N 0 3 334.416 3.005 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN[C@H](c2cccnc2)C2CCC2)cc1 ZINC000582581205 459388298 /nfs/dbraw/zinc/38/82/98/459388298.db2.gz FPRIAPGMBDCHCG-SFHVURJKSA-N 0 3 327.384 3.500 20 5 EGBDHN Cc1cccc(CCN2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000592070047 459519940 /nfs/dbraw/zinc/51/99/40/459519940.db2.gz CODXNHDDEYDPCK-UHFFFAOYSA-N 0 3 341.411 3.384 20 5 EGBDHN CN(CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000569868434 459522979 /nfs/dbraw/zinc/52/29/79/459522979.db2.gz YEJDOCFDCOTQFR-SFHVURJKSA-N 0 3 325.412 3.304 20 5 EGBDHN C[C@]1(Cc2ccccc2F)CCCN1CCn1cc([N+](=O)[O-])cn1 ZINC000592144055 459536732 /nfs/dbraw/zinc/53/67/32/459536732.db2.gz ZOAOXEYOIJQYGS-QGZVFWFLSA-N 0 3 332.379 3.028 20 5 EGBDHN O=C1CC[C@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2N1 ZINC000542494480 459562223 /nfs/dbraw/zinc/56/22/23/459562223.db2.gz KAMCSVPIDTXGLG-INIZCTEOSA-N 0 3 341.367 3.037 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)o1 ZINC000572843080 459584169 /nfs/dbraw/zinc/58/41/69/459584169.db2.gz KWIOYLCTMOVWCY-DYVFJYSZSA-N 0 3 328.368 3.466 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN[C@@H](CO)c2cccc(Cl)c2F)cc1 ZINC000499939038 459658299 /nfs/dbraw/zinc/65/82/99/459658299.db2.gz NAEGLMHKXDQLLH-HNNXBMFYSA-N 0 3 338.766 3.253 20 5 EGBDHN CCc1cccc(OC[C@@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000584486728 459753371 /nfs/dbraw/zinc/75/33/71/459753371.db2.gz ROPWTVAWXLPXEN-KSSFIOAISA-N 0 3 344.411 3.248 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H](OC(C)C)C1 ZINC000593055898 459757983 /nfs/dbraw/zinc/75/79/83/459757983.db2.gz UBOKPKOABPRGND-INIZCTEOSA-N 0 3 349.431 3.121 20 5 EGBDHN COCCc1ccc(OC[C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000597074082 459830524 /nfs/dbraw/zinc/83/05/24/459830524.db2.gz AAWUWOVGICGKAA-OAHLLOKOSA-N 0 3 344.411 3.341 20 5 EGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000585801378 459851768 /nfs/dbraw/zinc/85/17/68/459851768.db2.gz GPSPJLJTUUIHMS-AAEUAGOBSA-N 0 3 328.372 3.406 20 5 EGBDHN CC(C)c1ccc(CN(CCOCCO)C2CCC2)cc1[N+](=O)[O-] ZINC000597207193 459878349 /nfs/dbraw/zinc/87/83/49/459878349.db2.gz YHHGVFXQJRIGTB-UHFFFAOYSA-N 0 3 336.432 3.082 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C2CCC2)C[C@@H](C)C1 ZINC000574825543 459878953 /nfs/dbraw/zinc/87/89/53/459878953.db2.gz LMMHNGFGYSSWRB-CYBMUJFWSA-N 0 3 346.431 3.241 20 5 EGBDHN COC1CCN(C2(CNc3ccc([N+](=O)[O-])s3)CCCC2)CC1 ZINC000609350767 459950326 /nfs/dbraw/zinc/95/03/26/459950326.db2.gz QWHBSJBZPYJACM-UHFFFAOYSA-N 0 3 339.461 3.492 20 5 EGBDHN COc1ccc(-c2ccc(CN(C)[C@H](C)CCO)o2)c([N+](=O)[O-])c1 ZINC000593694703 459954887 /nfs/dbraw/zinc/95/48/87/459954887.db2.gz QHOQUWFLUVVLSQ-GFCCVEGCSA-N 0 3 334.372 3.066 20 5 EGBDHN C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602522848 459981082 /nfs/dbraw/zinc/98/10/82/459981082.db2.gz YONDJIFOPLQCBR-MGPQQGTHSA-N 0 3 346.431 3.192 20 5 EGBDHN O=[N+]([O-])c1sc(CNCC2(O)CCCCC2)cc1Br ZINC000602528426 459985366 /nfs/dbraw/zinc/98/53/66/459985366.db2.gz UCDAAWWVUQLRHA-UHFFFAOYSA-N 0 3 349.250 3.204 20 5 EGBDHN CSC[C@H](C)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602551273 459994285 /nfs/dbraw/zinc/99/42/85/459994285.db2.gz HBNWGXJKTNXPQV-LURJTMIESA-N 0 3 325.253 3.260 20 5 EGBDHN C[C@@H](CCc1cccn1C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602555047 459996006 /nfs/dbraw/zinc/99/60/06/459996006.db2.gz GFQRGRORAYAAAW-LBPRGKRZSA-N 0 3 328.372 3.185 20 5 EGBDHN CCOc1cccc(CCNCc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000602581155 460007310 /nfs/dbraw/zinc/00/73/10/460007310.db2.gz DYYXBIJQOLUXGS-UHFFFAOYSA-N 0 3 341.367 3.467 20 5 EGBDHN O=[N+]([O-])c1sc(CN[C@@H]2CCCOCC2)cc1Br ZINC000602581445 460008064 /nfs/dbraw/zinc/00/80/64/460008064.db2.gz KLRGYCODQVFHBE-MRVPVSSYSA-N 0 3 335.223 3.078 20 5 EGBDHN C[C@H]1COCC[C@@H]1CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602655222 460044814 /nfs/dbraw/zinc/04/48/14/460044814.db2.gz NKGLAIXJUPZDAF-WDEREUQCSA-N 0 3 332.322 3.376 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H](N4CCCC4)C3)n2)cc1 ZINC000575985098 460047119 /nfs/dbraw/zinc/04/71/19/460047119.db2.gz BVDFIEXLTUZGNH-OAHLLOKOSA-N 0 3 344.440 3.393 20 5 EGBDHN C[C@H](O)C[C@@H]1CCCCCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602660615 460050866 /nfs/dbraw/zinc/05/08/66/460050866.db2.gz GMZSZFWGGRWZIB-STQMWFEESA-N 0 3 333.388 3.252 20 5 EGBDHN C[C@@H]1SCC[C@@H]1NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602704956 460077198 /nfs/dbraw/zinc/07/71/98/460077198.db2.gz XOJQVUFBQDQJPA-RCOVLWMOSA-N 0 3 337.264 3.402 20 5 EGBDHN Cc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594059846 460080906 /nfs/dbraw/zinc/08/09/06/460080906.db2.gz XFIARAJHUUKSRJ-LSDHHAIUSA-N 0 3 332.404 3.042 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3cccc(F)c3F)CC2)cn1 ZINC000602731179 460092586 /nfs/dbraw/zinc/09/25/86/460092586.db2.gz KZGVAVRKOYOVPJ-UHFFFAOYSA-N 0 3 348.353 3.027 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000594099745 460100687 /nfs/dbraw/zinc/10/06/87/460100687.db2.gz KHHFPHYWUHCGRC-GDBMZVCRSA-N 0 3 346.431 3.350 20 5 EGBDHN COc1cccc([C@@H](CNCc2ccc(OC)c([N+](=O)[O-])c2)OC)c1 ZINC000598988422 460118813 /nfs/dbraw/zinc/11/88/13/460118813.db2.gz QLOUNSDIGQUIEY-GOSISDBHSA-N 0 3 346.383 3.089 20 5 EGBDHN CN(CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC(F)F ZINC000599021581 460129874 /nfs/dbraw/zinc/12/98/74/460129874.db2.gz BOGGRIBCFWLSEM-UHFFFAOYSA-N 0 3 339.342 3.141 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1ccccc1OC(C)C ZINC000602803633 460135588 /nfs/dbraw/zinc/13/55/88/460135588.db2.gz ZJYIWHZWRLBEGI-CYBMUJFWSA-N 0 3 332.404 3.238 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H](c2ccc(C)cc2C)C1 ZINC000602822614 460145060 /nfs/dbraw/zinc/14/50/60/460145060.db2.gz VZVOORVOBUOVQF-INIZCTEOSA-N 0 3 328.416 3.206 20 5 EGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCCN(c2ccncc2)CC1 ZINC000602847292 460158284 /nfs/dbraw/zinc/15/82/84/460158284.db2.gz VTLRGXMWIIOLAC-OAHLLOKOSA-N 0 3 326.400 3.263 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3nccc4ccccc43)CC2)n1 ZINC000618821753 460188294 /nfs/dbraw/zinc/18/82/94/460188294.db2.gz AEUFSHKBWAQSGM-UHFFFAOYSA-N 0 3 337.383 3.177 20 5 EGBDHN CCC(C)(C)N1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000594389482 460202942 /nfs/dbraw/zinc/20/29/42/460202942.db2.gz JOTIIBBJQWFXJO-AWEZNQCLSA-N 0 3 333.432 3.031 20 5 EGBDHN CC(C)(NCCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 ZINC000610662781 460208123 /nfs/dbraw/zinc/20/81/23/460208123.db2.gz WXFPYPGZGNNMGY-UHFFFAOYSA-N 0 3 327.384 3.144 20 5 EGBDHN Cc1ccccc1CN1CCCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000610754652 460232141 /nfs/dbraw/zinc/23/21/41/460232141.db2.gz VEUPZIQXSNOXOD-UHFFFAOYSA-N 0 3 340.427 3.319 20 5 EGBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000610892019 460256466 /nfs/dbraw/zinc/25/64/66/460256466.db2.gz YLPVRVGDGOCYPQ-UHFFFAOYSA-N 0 3 342.399 3.090 20 5 EGBDHN O=[N+]([O-])c1ccc2oc(CN[C@H](CCO)C3CCCCC3)nc2c1 ZINC000612824269 460742368 /nfs/dbraw/zinc/74/23/68/460742368.db2.gz LWFYTMJXQUBSCM-CQSZACIVSA-N 0 3 333.388 3.157 20 5 EGBDHN CC[C@H](CN1CCCC1)NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000613295529 460899453 /nfs/dbraw/zinc/89/94/53/460899453.db2.gz PBWSPMNVDIZCFC-CQSZACIVSA-N 0 3 334.420 3.208 20 5 EGBDHN C[C@@H](NCCn1ccc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000601965200 460963872 /nfs/dbraw/zinc/96/38/72/460963872.db2.gz WUIWPSCXODEJPK-SNVBAGLBSA-N 0 3 328.294 3.161 20 5 EGBDHN Cc1c([C@@H](C)NCCn2ccc(C(F)(F)F)n2)cccc1[N+](=O)[O-] ZINC000601964728 460964259 /nfs/dbraw/zinc/96/42/59/460964259.db2.gz RSOMRAIWEIURAQ-LLVKDONJSA-N 0 3 342.321 3.469 20 5 EGBDHN CC[C@@H](N[C@@H]1CCN(c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000181703685 529202995 /nfs/dbraw/zinc/20/29/95/529202995.db2.gz UBEQYVLYEXONLP-NVXWUHKLSA-N 0 3 326.400 3.309 20 5 EGBDHN CO[C@]1(C)C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1(C)C ZINC000237269003 547255850 /nfs/dbraw/zinc/25/58/50/547255850.db2.gz POWJQWSZFVUCQD-CZUORRHYSA-N 0 3 344.358 3.489 20 5 EGBDHN O=C1NC[C@H]2CN(Cc3c4ccccc4cc4ccccc43)CCN12 ZINC000091864778 1292844241 /nfs/dbraw/zinc/84/42/41/1292844241.db2.gz ZXSNVYZMQKCNDZ-KRWDZBQOSA-N 0 3 331.419 3.202 20 5 EGBDHN CCOC(=O)N[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000125527603 1293509993 /nfs/dbraw/zinc/50/99/93/1293509993.db2.gz VHHUKLURHWQYFE-ZFWWWQNUSA-N 0 3 337.420 3.406 20 5 EGBDHN O=C1N(CN2CCC[C@H]2C2CCC2)CCN1c1ccccc1[N+](=O)[O-] ZINC000154738032 1294068066 /nfs/dbraw/zinc/06/80/66/1294068066.db2.gz MRHNTTKVNXWMKZ-HNNXBMFYSA-N 0 3 344.415 3.059 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCN(CC(F)F)C1 ZINC000872079565 1296722634 /nfs/dbraw/zinc/72/26/34/1296722634.db2.gz IZOLUWZYHHVPFP-QWRGUYRKSA-N 0 3 345.415 3.307 20 5 EGBDHN Cc1c(CN[C@H](CN(C)C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000873127552 1297284024 /nfs/dbraw/zinc/28/40/24/1297284024.db2.gz TUJWTKMUWHZMPU-QGZVFWFLSA-N 0 3 331.391 3.435 20 5 EGBDHN CCCC(=O)NC[C@H]1CCCN(Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876655475 1298900619 /nfs/dbraw/zinc/90/06/19/1298900619.db2.gz LECWCGRFPBDMIO-MRXNPFEDSA-N 0 3 347.459 3.340 20 5 EGBDHN Cc1nn(CN2CCC[C@H](C(C)C)CC2)c2ncc([N+](=O)[O-])cc12 ZINC000749954977 1299312960 /nfs/dbraw/zinc/31/29/60/1299312960.db2.gz QLXYFQFQKASDSC-AWEZNQCLSA-N 0 3 331.420 3.364 20 5 EGBDHN Cc1ccc([C@@H](C)NCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000754674999 1300188939 /nfs/dbraw/zinc/18/89/39/1300188939.db2.gz ODXWJDWKJXVNEI-GFCCVEGCSA-N 0 3 345.424 3.205 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3C[C@@H]4CC=CC[C@@H]4C3)o2)cc1 ZINC000879527971 1300582310 /nfs/dbraw/zinc/58/23/10/1300582310.db2.gz GXFASYDJNVJENI-OKILXGFUSA-N 0 3 326.356 3.043 20 5 EGBDHN C[C@H](c1ccccc1)N1CC[C@H](Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881837046 1301736920 /nfs/dbraw/zinc/73/69/20/1301736920.db2.gz NGXPIPWTYWBPOQ-OCCSQVGLSA-N 0 3 330.363 3.376 20 5 EGBDHN Cc1c([C@@H](C)NC[C@H](O)COc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000765286074 1302237862 /nfs/dbraw/zinc/23/78/62/1302237862.db2.gz DVJPPXATBIWKCC-HIFRSBDPSA-N 0 3 348.374 3.133 20 5 EGBDHN C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000770042910 1303211771 /nfs/dbraw/zinc/21/17/71/1303211771.db2.gz BVRBZPQPSGRDGA-SJKOYZFVSA-N 0 3 345.374 3.155 20 5 EGBDHN Cc1nc2c(s1)[C@@H](N(C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC000776592381 1304177694 /nfs/dbraw/zinc/17/76/94/1304177694.db2.gz NDJVKMPJDYDQLO-JKSUJKDBSA-N 0 3 347.440 3.403 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)NCC(C)C)CC1 ZINC000778931825 1304509663 /nfs/dbraw/zinc/50/96/63/1304509663.db2.gz FHZQTLAKOXARQI-OAHLLOKOSA-N 0 3 347.459 3.448 20 5 EGBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)CCc2ccccc2)c1[N+](=O)[O-] ZINC000892446854 1305377439 /nfs/dbraw/zinc/37/74/39/1305377439.db2.gz MCRKVUWDJMSZGL-ZDUSSCGKSA-N 0 3 330.384 3.420 20 5 EGBDHN COc1c([O-])ccc(C[NH2+][C@@H](C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000892657532 1305490251 /nfs/dbraw/zinc/49/02/51/1305490251.db2.gz ADXQAMLWMMGTQU-NSHDSACASA-N 0 3 334.347 3.169 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]C[C@@H](SC)C(C)(C)C)c1[N+](=O)[O-] ZINC000893521546 1305947771 /nfs/dbraw/zinc/94/77/71/1305947771.db2.gz YWFVOSSTNKKLQG-GFCCVEGCSA-N 0 3 328.434 3.176 20 5 EGBDHN CC(C)(C)OC(=O)NCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000788577093 1305974121 /nfs/dbraw/zinc/97/41/21/1305974121.db2.gz LTCHMGQGNQFNNB-HNNXBMFYSA-N 0 3 349.431 3.432 20 5 EGBDHN C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895327070 1309284441 /nfs/dbraw/zinc/28/44/41/1309284441.db2.gz BPNGYDAIIOYQBG-ZNLKAECVSA-N 0 3 330.837 3.028 20 5 EGBDHN C[C@H](CCNC(=O)OC(C)(C)C)NCc1ccc([N+](=O)[O-])cc1F ZINC000793601733 1309414629 /nfs/dbraw/zinc/41/46/29/1309414629.db2.gz RLIBPJBRYWOLFV-LLVKDONJSA-N 0 3 341.383 3.127 20 5 EGBDHN CC(C)CN(Cn1c(=O)oc2cccc([N+](=O)[O-])c21)C1CCCC1 ZINC000794622497 1309558419 /nfs/dbraw/zinc/55/84/19/1309558419.db2.gz BIUCJBGCZRWKJL-UHFFFAOYSA-N 0 3 333.388 3.361 20 5 EGBDHN CCC(=O)c1ccc(N(C)CC[C@@H]2CCCCN2C)c([N+](=O)[O-])c1 ZINC000795099911 1309668016 /nfs/dbraw/zinc/66/80/16/1309668016.db2.gz DDKATXXSATXDKX-HNNXBMFYSA-N 0 3 333.432 3.498 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897260087 1310251254 /nfs/dbraw/zinc/25/12/54/1310251254.db2.gz XVXMHUUTVGBHSA-RXBGNRNISA-N 0 3 346.427 3.004 20 5 EGBDHN CC[C@H](C)N[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])c1ccco1 ZINC000804780454 1317280812 /nfs/dbraw/zinc/28/08/12/1317280812.db2.gz BVYMBAKYMALZOY-QWHCGFSZSA-N 0 3 343.387 3.377 20 5 EGBDHN CC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H](Cc1ccccc1)N(C)C ZINC000807916723 1317601179 /nfs/dbraw/zinc/60/11/79/1317601179.db2.gz BAYMBRMTUWQEHF-QGZVFWFLSA-N 0 3 341.411 3.382 20 5 EGBDHN CCOc1ccc([C@H](C)NCc2ccc(CCO)cc2)cc1[N+](=O)[O-] ZINC000903402941 1317697158 /nfs/dbraw/zinc/69/71/58/1317697158.db2.gz JCHRSBYZDLFUSJ-AWEZNQCLSA-N 0 3 344.411 3.379 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](NCC[C@H](O)C2CC2)c2ccccc2)c1 ZINC000903407039 1317697524 /nfs/dbraw/zinc/69/75/24/1317697524.db2.gz MAHQZMHWKHDRAK-RBUKOAKNSA-N 0 3 326.396 3.435 20 5 EGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCCn1ccnc1 ZINC000811471976 1318180293 /nfs/dbraw/zinc/18/02/93/1318180293.db2.gz QADLRYYYDVYLHU-UHFFFAOYSA-N 0 3 329.187 3.278 20 5 EGBDHN CC(COC(=O)c1csc(-c2cccc(Cl)c2)n1)[N+](=O)[O-] ZINC000813103566 1318498984 /nfs/dbraw/zinc/49/89/84/1318498984.db2.gz QNQVRDYHGKGMTA-MRVPVSSYSA-N 0 3 326.761 3.286 20 5 EGBDHN Cc1cc(Br)cc2cc(C(=O)OCC(C)[N+](=O)[O-])oc21 ZINC000813105844 1318501258 /nfs/dbraw/zinc/50/12/58/1318501258.db2.gz VMFWTBRRSKTDJG-MRVPVSSYSA-N 0 3 342.145 3.326 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CC[C@@H](C4CCCC4)C3)n2)c1 ZINC000817368325 1319343098 /nfs/dbraw/zinc/34/30/98/1319343098.db2.gz GOYQDBRWKKQBEF-MRXNPFEDSA-N 0 3 341.415 3.323 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1Cl ZINC000837190494 1320584044 /nfs/dbraw/zinc/58/40/44/1320584044.db2.gz LIAPITBZKQLRAE-GFCCVEGCSA-N 0 3 339.823 3.111 20 5 EGBDHN Cc1nn(CN2CC[C@H](CC(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000840149752 1321039163 /nfs/dbraw/zinc/03/91/63/1321039163.db2.gz LWVZTMXNAKWGEP-CYBMUJFWSA-N 0 3 331.420 3.364 20 5 EGBDHN Cc1nn(CN2CC3(C[C@@H]2C)CCOCC3)c2cc([N+](=O)[O-])ccc12 ZINC000842638606 1321410982 /nfs/dbraw/zinc/41/09/82/1321410982.db2.gz MSFYEAIVKAXOOY-ZDUSSCGKSA-N 0 3 344.415 3.101 20 5 EGBDHN CCOc1ccc(C(=O)OC[C@@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000845740489 1321740190 /nfs/dbraw/zinc/74/01/90/1321740190.db2.gz POYSQRBRBUETGE-ZDUSSCGKSA-N 0 3 336.388 3.023 20 5 EGBDHN COCCC[C@H](C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873079 1321747190 /nfs/dbraw/zinc/74/71/90/1321747190.db2.gz BLADCXRDMFIUNS-HUBLWGQQSA-N 0 3 327.352 3.138 20 5 EGBDHN Cc1ccc(OCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845872741 1321747441 /nfs/dbraw/zinc/74/74/41/1321747441.db2.gz NBGOSWRWONWRSQ-SCLBCKFNSA-N 0 3 347.342 3.463 20 5 EGBDHN CC([C@@H](OC(=O)C1CCSCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875535 1321748544 /nfs/dbraw/zinc/74/85/44/1321748544.db2.gz NHELCQDVNNRLPI-IINYFYTJSA-N 0 3 327.377 3.218 20 5 EGBDHN CCOC1CC(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845876355 1321748965 /nfs/dbraw/zinc/74/89/65/1321748965.db2.gz CPMDOTOWPVSDEY-DNGMVPROSA-N 0 3 339.363 3.280 20 5 EGBDHN CC([C@@H](OC(=O)CC[C@H]1CCCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845875899 1321749004 /nfs/dbraw/zinc/74/90/04/1321749004.db2.gz OBEDGYSBJMXQLT-PBFPGSCMSA-N 0 3 339.363 3.425 20 5 EGBDHN CC([C@H](OC(=O)CCCc1ccccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845878230 1321749587 /nfs/dbraw/zinc/74/95/87/1321749587.db2.gz RTLCDPFLDRWGLE-UGSOOPFHSA-N 0 3 346.358 3.493 20 5 EGBDHN CC([C@@H](OC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845884068 1321751023 /nfs/dbraw/zinc/75/10/23/1321751023.db2.gz XBSQFWXCBUAXOI-ZYIUAKIQSA-N 0 3 344.342 3.274 20 5 EGBDHN CN(CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000848524874 1321968345 /nfs/dbraw/zinc/96/83/45/1321968345.db2.gz IUZAMJXPXIREAC-AWEZNQCLSA-N 0 3 335.404 3.039 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)c1ccc(C)cc1 ZINC000850425481 1322246842 /nfs/dbraw/zinc/24/68/42/1322246842.db2.gz MLRRFRVYSUHMOR-SUMWQHHRSA-N 0 3 330.384 3.296 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1cc(N(C)C)ccn1 ZINC000922482837 1322539254 /nfs/dbraw/zinc/53/92/54/1322539254.db2.gz NHPAIIMTPFMVKH-NTEUORMPSA-N 0 3 326.400 3.249 20 5 EGBDHN Cc1cc(-c2noc(-c3cc4c(s3)CCNC4)n2)cc([N+](=O)[O-])c1 ZINC000854159405 1325222812 /nfs/dbraw/zinc/22/28/12/1325222812.db2.gz AESQLRABJOPISG-UHFFFAOYSA-N 0 3 342.380 3.327 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN([C@H]3CCc4c3cccc4F)C2)nc1 ZINC001324296299 1387586003 /nfs/dbraw/zinc/58/60/03/1387586003.db2.gz CRSYNPUORGCEQD-SJCJKPOMSA-N 0 3 342.374 3.303 20 5 EGBDHN CN(C)Cc1cccc(-n2c3ccccc3nc3cc(N)c(=O)cc2-3)c1 ZINC001201403501 1369537979 /nfs/dbraw/zinc/53/79/79/1369537979.db2.gz XBZRNVQEJSRCIG-UHFFFAOYSA-N 0 3 344.418 3.134 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCc3ccccc32)c1[N+](=O)[O-] ZINC001120032948 1371463824 /nfs/dbraw/zinc/46/38/24/1371463824.db2.gz LBBFKZDDCKAVQX-ZDUSSCGKSA-N 0 3 328.368 3.129 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]C2(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001120039276 1371465628 /nfs/dbraw/zinc/46/56/28/1371465628.db2.gz CQQUWXKWAFXOTP-UHFFFAOYSA-N 0 3 328.368 3.174 20 5 EGBDHN COc1c(O)ccc(CNC2(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001120039276 1371465632 /nfs/dbraw/zinc/46/56/32/1371465632.db2.gz CQQUWXKWAFXOTP-UHFFFAOYSA-N 0 3 328.368 3.174 20 5 EGBDHN Oc1cccc2cc3cccc(O)c3c(O[C@@H]3CCNC[C@@H]3F)c12 ZINC001218070118 1373554117 /nfs/dbraw/zinc/55/41/17/1373554117.db2.gz LOKYRDNWEVIQGF-XJKSGUPXSA-N 0 3 327.355 3.483 20 5 EGBDHN CC(C)N1CCC[C@H](Oc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC001225893486 1375170386 /nfs/dbraw/zinc/17/03/86/1375170386.db2.gz SEVLNTNJGNRVJA-NSHDSACASA-N 0 3 333.310 3.260 20 5 EGBDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226731848 1375319733 /nfs/dbraw/zinc/31/97/33/1375319733.db2.gz QMONRABKBHMOGJ-MRXNPFEDSA-N 0 3 342.399 3.064 20 5 EGBDHN CCN1CCC[C@H](Oc2ccc(OC(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001227603102 1375451286 /nfs/dbraw/zinc/45/12/86/1375451286.db2.gz DBQXMYYRGHVIMI-NSHDSACASA-N 0 3 334.294 3.357 20 5 EGBDHN Cc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cc1Cl ZINC001133262140 1375878066 /nfs/dbraw/zinc/87/80/66/1375878066.db2.gz WILIJRSGZUPHPA-UHFFFAOYSA-N 0 3 347.802 3.076 20 5 EGBDHN Cc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC001134165417 1376396831 /nfs/dbraw/zinc/39/68/31/1376396831.db2.gz QRWWIDQCYJBGTQ-UHFFFAOYSA-N 0 3 347.802 3.076 20 5 EGBDHN CC(C)N1CCC[C@@H](Oc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC001233744673 1376710218 /nfs/dbraw/zinc/71/02/18/1376710218.db2.gz BZJNFPNOPQRAMY-SNVBAGLBSA-N 0 3 333.310 3.260 20 5 EGBDHN Cc1cccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC001135529497 1377131124 /nfs/dbraw/zinc/13/11/24/1377131124.db2.gz VDPMTMXJCXUMRU-UHFFFAOYSA-N 0 3 347.802 3.076 20 5 EGBDHN O=C1COC[C@@H]2CN(Cc3c4ccccc4cc4ccccc43)CCN12 ZINC001141728412 1378366503 /nfs/dbraw/zinc/36/65/03/1378366503.db2.gz SKBCVHLIUAGSDJ-SFHVURJKSA-N 0 3 346.430 3.036 20 5 EGBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc(C2CC2)s1 ZINC001147733778 1379068377 /nfs/dbraw/zinc/06/83/77/1379068377.db2.gz VAZOIRITWKMJMP-UHFFFAOYSA-N 0 3 345.424 3.053 20 5 EGBDHN CN1CCC(N(c2cc(Cl)ncc2[N+](=O)[O-])C2CCCC2)CC1 ZINC001158488317 1381264996 /nfs/dbraw/zinc/26/49/96/1381264996.db2.gz SNXKMOFQIRDBDD-UHFFFAOYSA-N 0 3 338.839 3.486 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(-n2c(-c3ccccc3)cnc2[C@H](C)N)n1 ZINC001159594282 1381841476 /nfs/dbraw/zinc/84/14/76/1381841476.db2.gz CRVIVQHKZNQJBV-ZDUSSCGKSA-N 0 3 337.383 3.479 20 5 EGBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001159596290 1381842498 /nfs/dbraw/zinc/84/24/98/1381842498.db2.gz WYLNVKDSCAREEX-NSHDSACASA-N 0 3 348.366 3.344 20 5 EGBDHN COc1c(F)cc(-n2c3ccccc3nc2[C@H](C)N)cc1[N+](=O)[O-] ZINC001162765184 1382864528 /nfs/dbraw/zinc/86/45/28/1382864528.db2.gz DXJJPZRDMGRYAJ-VIFPVBQESA-N 0 3 330.319 3.101 20 5 EGBDHN CCOc1cc(-n2c3ccccc3nc2[C@@H](C)N)ccc1[N+](=O)[O-] ZINC001162777636 1382869231 /nfs/dbraw/zinc/86/92/31/1382869231.db2.gz DLASOCNFQGUXFB-LLVKDONJSA-N 0 3 326.356 3.352 20 5 EGBDHN O=C(NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1)C1CCCC1 ZINC001163128244 1382971529 /nfs/dbraw/zinc/97/15/29/1382971529.db2.gz OSWLTPWWTLYWBV-UHFFFAOYSA-N 0 3 345.443 3.161 20 5 EGBDHN O=[N+]([O-])c1cccc2c1ccnc2N[C@@H]1CNCc2ccsc21 ZINC001163220258 1382995763 /nfs/dbraw/zinc/99/57/63/1382995763.db2.gz NJCCEEZYLYRHRB-CYBMUJFWSA-N 0 3 326.381 3.461 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CNCc3ccsc32)c2ccncc21 ZINC001163226768 1382998522 /nfs/dbraw/zinc/99/85/22/1382998522.db2.gz LTAOEQOJDJWLCX-CQSZACIVSA-N 0 3 326.381 3.461 20 5 EGBDHN CCCCC(=O)NCCC1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC001163464737 1383057552 /nfs/dbraw/zinc/05/75/52/1383057552.db2.gz ZNZVQRRLSKTTSH-UHFFFAOYSA-N 0 3 339.461 3.223 20 5 EGBDHN CC1(CC(=O)NCCC2(CNCc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001166217741 1383403835 /nfs/dbraw/zinc/40/38/35/1383403835.db2.gz OFGRJBFTTDXFOR-UHFFFAOYSA-N 0 3 345.443 3.161 20 5 EGBDHN COc1cc([N+](=O)[O-])cnc1NC[C@H](c1ccccc1)N1CCCC1 ZINC001166866163 1383489922 /nfs/dbraw/zinc/48/99/22/1383489922.db2.gz XNCBOULMNSRVMF-MRXNPFEDSA-N 0 3 342.399 3.247 20 5 EGBDHN COc1ncc([N+](=O)[O-])cc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC001166901783 1383496693 /nfs/dbraw/zinc/49/66/93/1383496693.db2.gz SPEKOVOYIYCOIJ-KRWDZBQOSA-N 0 3 342.399 3.247 20 5 EGBDHN CC(C)CCCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001168715818 1383978836 /nfs/dbraw/zinc/97/88/36/1383978836.db2.gz VTNHJGNGSHJXOQ-UHFFFAOYSA-N 0 3 341.477 3.469 20 5 EGBDHN COc1ccc(C[C@H](C)N2CCC(n3cccn3)CC2)c([N+](=O)[O-])c1 ZINC001170352833 1384297960 /nfs/dbraw/zinc/29/79/60/1384297960.db2.gz RIZVYFIWRPRFKV-AWEZNQCLSA-N 0 3 344.415 3.068 20 5 EGBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cc([N+](=O)[O-])c2nccn2c1 ZINC001170682199 1384365117 /nfs/dbraw/zinc/36/51/17/1384365117.db2.gz MUNTWBIVQHSCHM-LBPRGKRZSA-N 0 3 348.366 3.115 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](N1CCc3ncsc3C1)CC2 ZINC001172919763 1384879015 /nfs/dbraw/zinc/87/90/15/1384879015.db2.gz HJQNYFHXWPMUCC-CQSZACIVSA-N 0 3 329.425 3.357 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(F)cc2)CC1 ZINC001173228945 1384940858 /nfs/dbraw/zinc/94/08/58/1384940858.db2.gz OFZMLUIHUZVOAX-HNNXBMFYSA-N 0 3 343.402 3.487 20 5 EGBDHN CC(C)CNC(=O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC001318494387 1385723163 /nfs/dbraw/zinc/72/31/63/1385723163.db2.gz FXULYLSYBLJVSD-UHFFFAOYSA-N 0 3 347.440 3.185 20 5 EGBDHN COc1c([O-])ccc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001333743798 1390390462 /nfs/dbraw/zinc/39/04/62/1390390462.db2.gz YKSXJLQNQNEQAU-GJZGRUSLSA-N 0 3 328.368 3.030 20 5 EGBDHN COc1c(O)ccc(CN[C@H]2C[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001333743798 1390390465 /nfs/dbraw/zinc/39/04/65/1390390465.db2.gz YKSXJLQNQNEQAU-GJZGRUSLSA-N 0 3 328.368 3.030 20 5 EGBDHN CC(C)c1ccc([C@H](N)CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000236767834 242352644 /nfs/dbraw/zinc/35/26/44/242352644.db2.gz FNZWEQNPHFPPKI-GOSISDBHSA-N 0 3 341.411 3.077 20 5 EGBDHN COCCOCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102424680 204037236 /nfs/dbraw/zinc/03/72/36/204037236.db2.gz TZDRZWOBPPNOFU-UHFFFAOYSA-N 0 3 336.413 3.076 20 5 EGBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccn1 ZINC000125390246 205007197 /nfs/dbraw/zinc/00/71/97/205007197.db2.gz PUJLYGYABLDMTL-UHFFFAOYSA-N 0 3 342.399 3.149 20 5 EGBDHN CC[C@H](NCCc1nnc2n1CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000126647484 205066585 /nfs/dbraw/zinc/06/65/85/205066585.db2.gz BKPWFVDYRPKAGF-INIZCTEOSA-N 0 3 343.431 3.196 20 5 EGBDHN Cc1ccc([C@@H](C)NCCCN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000156374897 206074181 /nfs/dbraw/zinc/07/41/81/206074181.db2.gz WITXCZUORQRJPP-GFCCVEGCSA-N 0 3 333.354 3.438 20 5 EGBDHN CCC1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCOCC1 ZINC000266615429 248383612 /nfs/dbraw/zinc/38/36/12/248383612.db2.gz JMJXIKLKIHXFAJ-UHFFFAOYSA-N 0 3 344.358 3.493 20 5 EGBDHN CCCN(CCN1CCCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342794258 141148517 /nfs/dbraw/zinc/14/85/17/141148517.db2.gz KWECGQFTKXCFID-UHFFFAOYSA-N 0 3 337.395 3.072 20 5 EGBDHN COc1ccc(NC(=O)CN(CC2CC2)CC2CCC2)c([N+](=O)[O-])c1 ZINC000361570481 144329962 /nfs/dbraw/zinc/32/99/62/144329962.db2.gz CQYAWAMASJEVDY-UHFFFAOYSA-N 0 3 347.415 3.054 20 5 EGBDHN Cc1cnc(N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000310382809 154142918 /nfs/dbraw/zinc/14/29/18/154142918.db2.gz PSWOTHKOYSNLPG-ZBFHGGJFSA-N 0 3 326.400 3.373 20 5 EGBDHN COc1cccc([C@@H](CNc2cc(OC)ccc2[N+](=O)[O-])N(C)C)c1 ZINC000327217496 154186819 /nfs/dbraw/zinc/18/68/19/154186819.db2.gz TVDGHKAYXPAAQB-GOSISDBHSA-N 0 3 345.399 3.327 20 5 EGBDHN Cc1c(NC(=O)NC[C@@H](C)N2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000337339991 154292022 /nfs/dbraw/zinc/29/20/22/154292022.db2.gz OZDQCAAREGXWOH-CHWSQXEVSA-N 0 3 334.420 3.288 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H]1CCCC[C@@H]1OC(F)F ZINC000337397013 154332137 /nfs/dbraw/zinc/33/21/37/154332137.db2.gz JCJXENKWXKPNMO-STQMWFEESA-N 0 3 330.331 3.243 20 5 EGBDHN CN(C)CCN(c1ccc([N+](=O)[O-])c2cnccc21)C1CCCC1 ZINC000339968143 155055177 /nfs/dbraw/zinc/05/51/77/155055177.db2.gz RZOBJYZNDJTOTN-UHFFFAOYSA-N 0 3 328.416 3.454 20 5 EGBDHN CCCC1CCC(N(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000362152911 157047442 /nfs/dbraw/zinc/04/74/42/157047442.db2.gz DHBKNXIRCMNPEN-UHFFFAOYSA-N 0 3 333.432 3.484 20 5 EGBDHN C[C@@H](N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1ccccc1 ZINC000109146846 162094907 /nfs/dbraw/zinc/09/49/07/162094907.db2.gz VTMKLSHDCXEGRS-DYVFJYSZSA-N 0 3 325.368 3.051 20 5 EGBDHN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CC1CCC1 ZINC000111296778 162151344 /nfs/dbraw/zinc/15/13/44/162151344.db2.gz MACAAYNAFXFLNW-JTQLQIEISA-N 0 3 325.796 3.307 20 5 EGBDHN CSc1ccc(C(=O)NC[C@@H](CC(C)C)N(C)C)cc1[N+](=O)[O-] ZINC000114377987 162229534 /nfs/dbraw/zinc/22/95/34/162229534.db2.gz SFZCIGSTGNYLSJ-CYBMUJFWSA-N 0 3 339.461 3.023 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CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CN(C)Cc2ccccc21 ZINC000361168412 167544890 /nfs/dbraw/zinc/54/48/90/167544890.db2.gz KBALJLCADMLOJU-GOSISDBHSA-N 0 3 341.411 3.270 20 5 EGBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000191864127 265936752 /nfs/dbraw/zinc/93/67/52/265936752.db2.gz CGDMLKKDIWLILT-OAHLLOKOSA-N 0 3 335.404 3.100 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN(Cc2ccc(F)cc2)C2CC2)c1 ZINC000269679028 266339825 /nfs/dbraw/zinc/33/98/25/266339825.db2.gz DLNWYFMRUJMVEE-GOSISDBHSA-N 0 3 330.359 3.432 20 5 EGBDHN COc1ccc([C@@H](C)N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000269684129 266341142 /nfs/dbraw/zinc/34/11/42/266341142.db2.gz SBTITPCELZWKHU-FZKQIMNGSA-N 0 3 330.384 3.330 20 5 EGBDHN CN(C)[C@H](CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000192598452 273814946 /nfs/dbraw/zinc/81/49/46/273814946.db2.gz LXBHLIPRZZDOJU-IAGOWNOFSA-N 0 3 329.400 3.458 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN(C2CC2)[C@H]2CCCc3ccccc32)n1 ZINC000176215900 275040508 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EGBDHN C[C@H](NCCN1CCc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000178642785 278259282 /nfs/dbraw/zinc/25/92/82/278259282.db2.gz OASVAGOLEPGZIF-HNNXBMFYSA-N 0 3 325.412 3.304 20 5 EGBDHN C[C@@H]1[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCCN1C ZINC000343511853 279093038 /nfs/dbraw/zinc/09/30/38/279093038.db2.gz JDOHZWFPHDBAJV-DOMZBBRYSA-N 0 3 333.432 3.105 20 5 EGBDHN Cc1ccc([C@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000173284006 280987103 /nfs/dbraw/zinc/98/71/03/280987103.db2.gz YUDKXWWYDVRFPY-SFHVURJKSA-N 0 3 341.411 3.244 20 5 EGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000063704018 307355626 /nfs/dbraw/zinc/35/56/26/307355626.db2.gz NXNQPSSDKAEMAB-UHFFFAOYSA-N 0 3 345.399 3.009 20 5 EGBDHN CN(C)Cc1cccc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000079975913 307430652 /nfs/dbraw/zinc/43/06/52/307430652.db2.gz RMPPNJOGIRPXNR-UHFFFAOYSA-N 0 3 341.411 3.322 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC(=O)N1CCCCCC1 ZINC000129081187 307609726 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EGBDHN COc1cc(CN[C@@H](C(C)C)[C@@H](CO)C(C)C)c([N+](=O)[O-])cc1F ZINC000451591428 310188137 /nfs/dbraw/zinc/18/81/37/310188137.db2.gz DPGKITKGFJXKPZ-GUYCJALGSA-N 0 3 342.411 3.121 20 5 EGBDHN C[C@H](NC(=O)c1cccc(CN(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000452184569 310217433 /nfs/dbraw/zinc/21/74/33/310217433.db2.gz UPYMVZMDZQLFLX-ZDUSSCGKSA-N 0 3 327.384 3.147 20 5 EGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000453295246 310269642 /nfs/dbraw/zinc/26/96/42/310269642.db2.gz XUUJPLVKSZVAOW-LSDHHAIUSA-N 0 3 347.459 3.139 20 5 EGBDHN Cc1ccc(C[C@@H](CO)N[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000453426373 310276530 /nfs/dbraw/zinc/27/65/30/310276530.db2.gz HCDLEMQDNASIQB-QAPCUYQASA-N 0 3 328.412 3.466 20 5 EGBDHN CC1(C)C[C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000453581448 310282910 /nfs/dbraw/zinc/28/29/10/310282910.db2.gz MKYXKZPDYORUPB-LLVKDONJSA-N 0 3 344.358 3.491 20 5 EGBDHN C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000454261497 310300105 /nfs/dbraw/zinc/30/01/05/310300105.db2.gz RDHZHCRVLKXXPA-ZNMIVQPWSA-N 0 3 348.447 3.218 20 5 EGBDHN CNc1c(C(=O)Nc2ccc(CN(C)C)c(C)c2)cccc1[N+](=O)[O-] ZINC000458263735 310495035 /nfs/dbraw/zinc/49/50/35/310495035.db2.gz LGVOAOVKYGBAEH-UHFFFAOYSA-N 0 3 342.399 3.259 20 5 EGBDHN CCCNC(=O)C1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470172248 310719179 /nfs/dbraw/zinc/71/91/79/310719179.db2.gz UFCATSNFPBOOHL-NTCAYCPXSA-N 0 3 345.443 3.236 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCOC(F)(F)F)o2)cc1 ZINC000473986735 310783022 /nfs/dbraw/zinc/78/30/22/310783022.db2.gz AYXGPWYCQQFZAX-UHFFFAOYSA-N 0 3 330.262 3.481 20 5 EGBDHN Cc1cccc(C(=O)NCCN[C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000480908250 310902856 /nfs/dbraw/zinc/90/28/56/310902856.db2.gz FVSWNQSVNKWSIN-HNNXBMFYSA-N 0 3 341.411 3.292 20 5 EGBDHN CCN1C[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000487208189 311016112 /nfs/dbraw/zinc/01/61/12/311016112.db2.gz HCVBLOAVAVZZTD-HZMBPMFUSA-N 0 3 331.338 3.043 20 5 EGBDHN CCC1CCC(N(CCO)Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000488198458 311055599 /nfs/dbraw/zinc/05/55/99/311055599.db2.gz OVTDEXADQOGTGS-UHFFFAOYSA-N 0 3 336.432 3.367 20 5 EGBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C2CCC2)C[C@H](C)C1 ZINC000488758060 311078843 /nfs/dbraw/zinc/07/88/43/311078843.db2.gz AZUCYTUQKQJEMO-ZDUSSCGKSA-N 0 3 331.416 3.108 20 5 EGBDHN Cc1nccn1C[C@@H]1CCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493136084 311332578 /nfs/dbraw/zinc/33/25/78/311332578.db2.gz XZMIEJUYLPTPJD-ZDUSSCGKSA-N 0 3 334.807 3.418 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](CC(C)C)N1CCOCC1 ZINC000531989185 313740360 /nfs/dbraw/zinc/74/03/60/313740360.db2.gz IFHPKGGMKIJLCZ-FUHWJXTLSA-N 0 3 349.475 3.301 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000553398580 315261461 /nfs/dbraw/zinc/26/14/61/315261461.db2.gz HAJOBJCZHYMEKW-OAHLLOKOSA-N 0 3 333.432 3.033 20 5 EGBDHN C[C@@H]1CCC[C@]1(O)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000563978779 316099959 /nfs/dbraw/zinc/09/99/59/316099959.db2.gz MRQSWAZKGKDQSK-ACJLOTCBSA-N 0 3 330.384 3.496 20 5 EGBDHN O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1C1CCCC1 ZINC000572557920 317355535 /nfs/dbraw/zinc/35/55/35/317355535.db2.gz NBPNUDGFRIRUAW-GOSISDBHSA-N 0 3 345.443 3.051 20 5 EGBDHN O=C(CCN[C@@H]1CCc2c1cccc2[N+](=O)[O-])Nc1ccccc1 ZINC000573457859 317488706 /nfs/dbraw/zinc/48/87/06/317488706.db2.gz HRJHARWVPAZOBV-MRXNPFEDSA-N 0 3 325.368 3.201 20 5 EGBDHN Cc1c(CN[C@@H](C)c2ccc(-n3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000181901729 323511963 /nfs/dbraw/zinc/51/19/63/323511963.db2.gz GOHRZBSKSWFBDR-AWEZNQCLSA-N 0 3 337.383 3.335 20 5 EGBDHN C[C@@](CO)(CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])Cc1ccccc1 ZINC000581143356 325334924 /nfs/dbraw/zinc/33/49/24/325334924.db2.gz UMAFQHOUQUAIPN-QUCCMNQESA-N 0 3 340.423 3.413 20 5 EGBDHN Cc1ccc(C[C@H](CO)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000581260650 325347083 /nfs/dbraw/zinc/34/70/83/325347083.db2.gz KJIHCATWYJFLNP-CRAIPNDOSA-N 0 3 326.396 3.084 20 5 EGBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000189617979 455223654 /nfs/dbraw/zinc/22/36/54/455223654.db2.gz WADHRADEPLHEQY-TZMCWYRMSA-N 0 3 332.322 3.168 20 5 EGBDHN C[C@@H](N[C@H](C)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157734453 455225607 /nfs/dbraw/zinc/22/56/07/455225607.db2.gz OCCCWURLTXZYKW-NXEZZACHSA-N 0 3 325.796 3.353 20 5 EGBDHN Cn1cc(CNCc2cccc(F)c2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237933665 455235560 /nfs/dbraw/zinc/23/55/60/455235560.db2.gz DXUFZMRHYUSBFL-UHFFFAOYSA-N 0 3 340.358 3.424 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCn3cccn3)s2)cc1 ZINC000237989288 455242186 /nfs/dbraw/zinc/24/21/86/455242186.db2.gz WXHULHJSUZYUMQ-UHFFFAOYSA-N 0 3 328.397 3.310 20 5 EGBDHN COc1ccccc1[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000157968491 455254862 /nfs/dbraw/zinc/25/48/62/455254862.db2.gz XUBCZMPNRJEGAB-OAHLLOKOSA-N 0 3 342.395 3.472 20 5 EGBDHN COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)N2CCCC2)cc1 ZINC000012937632 453428080 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O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCCC1 ZINC000075958011 453942730 /nfs/dbraw/zinc/94/27/30/453942730.db2.gz RSFKERVZRTZWKB-INIZCTEOSA-N 0 3 332.404 3.077 20 5 EGBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCO2 ZINC000040105827 453947689 /nfs/dbraw/zinc/94/76/89/453947689.db2.gz OFQURHFBZLHFKO-UHFFFAOYSA-N 0 3 344.367 3.224 20 5 EGBDHN Cc1ccc([C@@H](C)N[C@H](C(=O)N2CCCC2)C(C)C)cc1[N+](=O)[O-] ZINC000089723081 454183490 /nfs/dbraw/zinc/18/34/90/454183490.db2.gz QGLNZMKHDVZKLP-PBHICJAKSA-N 0 3 333.432 3.201 20 5 EGBDHN COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cc2F)N(C)C)c1 ZINC000046072856 454214667 /nfs/dbraw/zinc/21/46/67/454214667.db2.gz PLYHHMNMSSALMC-QGZVFWFLSA-N 0 3 333.363 3.457 20 5 EGBDHN NC(=O)c1ccc(CN2CCC3(CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000102410830 454504024 /nfs/dbraw/zinc/50/40/24/454504024.db2.gz PVKAOYOSTGPQPE-UHFFFAOYSA-N 0 3 331.416 3.240 20 5 EGBDHN Cc1cc(NC(=O)CCN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)no1 ZINC000065512338 454580889 /nfs/dbraw/zinc/58/08/89/454580889.db2.gz OQBQXUMXWKUWJH-UHFFFAOYSA-N 0 3 346.387 3.130 20 5 EGBDHN Cc1cc(N2CCN(c3ccncc3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000080537936 454596081 /nfs/dbraw/zinc/59/60/81/454596081.db2.gz XTFKAIXKHAZXRH-UHFFFAOYSA-N 0 3 332.791 3.278 20 5 EGBDHN C[C@@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000123742269 454670725 /nfs/dbraw/zinc/67/07/25/454670725.db2.gz PUABWFAUTZVNDQ-PBHICJAKSA-N 0 3 345.443 3.427 20 5 EGBDHN CC[C@@H](CCO)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000123829213 454679893 /nfs/dbraw/zinc/67/98/93/454679893.db2.gz URQQXIXPGREALL-LBPRGKRZSA-N 0 3 334.372 3.114 20 5 EGBDHN C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000136689373 454753200 /nfs/dbraw/zinc/75/32/00/454753200.db2.gz XJXOVVFKUZIRSS-LBPRGKRZSA-N 0 3 339.823 3.098 20 5 EGBDHN C[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000126761467 454917282 /nfs/dbraw/zinc/91/72/82/454917282.db2.gz QJKQIEMDWZHTRK-CJNGLKHVSA-N 0 3 331.416 3.037 20 5 EGBDHN Cc1ccc(NC(=O)CCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000167154040 454918603 /nfs/dbraw/zinc/91/86/03/454918603.db2.gz DZCSFNLKWDFYFS-AWEZNQCLSA-N 0 3 342.399 3.286 20 5 EGBDHN CC[C@@H](N[C@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168198606 454925557 /nfs/dbraw/zinc/92/55/57/454925557.db2.gz KHKDWWCGXWFYAF-WMLDXEAASA-N 0 3 344.390 3.449 20 5 EGBDHN Cc1c(CN2CC[C@H](CNC(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000170647416 454948842 /nfs/dbraw/zinc/94/88/42/454948842.db2.gz SAUFASGOPPRQAK-CQSZACIVSA-N 0 3 349.431 3.250 20 5 EGBDHN CC(C)(NCCc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCCC1 ZINC000155243089 454978929 /nfs/dbraw/zinc/97/89/29/454978929.db2.gz IONGREXXTUMDCX-UHFFFAOYSA-N 0 3 347.459 3.202 20 5 EGBDHN COc1ccccc1C[C@@H](C)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178864580 454985944 /nfs/dbraw/zinc/98/59/44/454985944.db2.gz OMUXPSXYUVKGAF-KDOFPFPSSA-N 0 3 344.411 3.200 20 5 EGBDHN CN(Cc1ccccc1)C[C@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000128861457 455088173 /nfs/dbraw/zinc/08/81/73/455088173.db2.gz NYAWVTJYXGCUSP-SFHVURJKSA-N 0 3 346.452 3.321 20 5 EGBDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179893104 455095102 /nfs/dbraw/zinc/09/51/02/455095102.db2.gz XVCFEBVAOHMFHJ-AWEZNQCLSA-N 0 3 344.367 3.382 20 5 EGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CNCC2(O)CCCCCC2)c1 ZINC000117947179 455096787 /nfs/dbraw/zinc/09/67/87/455096787.db2.gz IAJKDJCWYJGOQL-UHFFFAOYSA-N 0 3 344.358 3.371 20 5 EGBDHN COc1ccc(CNC2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000237358802 455177064 /nfs/dbraw/zinc/17/70/64/455177064.db2.gz YLUAKUDHWOEHIH-UHFFFAOYSA-N 0 3 341.411 3.362 20 5 EGBDHN Cc1cc(C)cc([C@@H](C)NC[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000182910399 455189803 /nfs/dbraw/zinc/18/98/03/455189803.db2.gz AOSGTASUKRLAHJ-QAPCUYQASA-N 0 3 344.411 3.302 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CC(C)(C)CN1CCOCC1 ZINC000182925849 455192112 /nfs/dbraw/zinc/19/21/12/455192112.db2.gz WZSJGZCFLGSEGB-INIZCTEOSA-N 0 3 349.475 3.254 20 5 EGBDHN C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000245424058 455294728 /nfs/dbraw/zinc/29/47/28/455294728.db2.gz JVRAAKCNCNOJBI-DKSSEZFCSA-N 0 3 342.395 3.028 20 5 EGBDHN CCOc1ccc([C@H](C)N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000245503494 455315400 /nfs/dbraw/zinc/31/54/00/455315400.db2.gz IDYUZBQOMZKJQI-VNHYZAJKSA-N 0 3 333.432 3.269 20 5 EGBDHN C[C@H](c1cc2ccccc2o1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159688399 455395785 /nfs/dbraw/zinc/39/57/85/455395785.db2.gz HOQHUGPIHMPDTH-CYBMUJFWSA-N 0 3 341.367 3.196 20 5 EGBDHN C[C@@H](N[C@@H](CCCO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283842871 455602627 /nfs/dbraw/zinc/60/26/27/455602627.db2.gz AYJTTXOTYQUQLD-DYVFJYSZSA-N 0 3 329.400 3.341 20 5 EGBDHN CC(C)[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271452775 455642909 /nfs/dbraw/zinc/64/29/09/455642909.db2.gz FBSIVBOQCGVVFL-WFASDCNBSA-N 0 3 344.358 3.489 20 5 EGBDHN Cc1nnc([C@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)[nH]1 ZINC000268417402 455677849 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EGBDHN CN1CCN(Cc2cccc(Nc3cc([N+](=O)[O-])ccc3F)c2)CC1 ZINC001175738341 1385391185 /nfs/dbraw/zinc/39/11/85/1385391185.db2.gz JTERPJZHIQFHKV-UHFFFAOYSA-N 0 3 344.390 3.225 20 5 EGBDHN COC(=O)[C@H]1CCC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001321867244 1387000257 /nfs/dbraw/zinc/00/02/57/1387000257.db2.gz KFXBVIRNXMRJJH-HOTGVXAUSA-N 0 3 344.367 3.286 20 5 EGBDHN Cc1cccc(NC[C@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)n1 ZINC001340938627 1390408975 /nfs/dbraw/zinc/40/89/75/1390408975.db2.gz AINBVRGTCLHVHT-QGZVFWFLSA-N 0 3 326.400 3.375 20 5 EGBDHN CC[C@H](C)N1CCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)CC1 ZINC001350489947 1391470795 /nfs/dbraw/zinc/47/07/95/1391470795.db2.gz APSWBDJRHVJVSL-NSHDSACASA-N 0 3 349.822 3.112 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@@H]1COc2ccccc21 ZINC000373774488 168742676 /nfs/dbraw/zinc/74/26/76/168742676.db2.gz YAZGIATYXJFWKL-WBMJQRKESA-N 0 3 328.368 3.258 20 5 EGBDHN O=C(N[C@H]1CCN(C2CCCC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000359056095 284196076 /nfs/dbraw/zinc/19/60/76/284196076.db2.gz NFOUONNLKDUASL-ZDUSSCGKSA-N 0 3 343.383 3.088 20 5 EGBDHN COc1cc(CN[C@@H]2C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000105437351 204145221 /nfs/dbraw/zinc/14/52/21/204145221.db2.gz VTJMSYUYXWYWJF-PSASIEDQSA-N 0 3 334.294 3.043 20 5 EGBDHN CCCCNC(=O)[C@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266501140 248333351 /nfs/dbraw/zinc/33/33/51/248333351.db2.gz ANAZBZIJSRKBJO-CABCVRRESA-N 0 3 333.432 3.284 20 5 EGBDHN C[C@H]1[C@@H](c2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177560202 207353288 /nfs/dbraw/zinc/35/32/88/207353288.db2.gz JXSIEFNJXPWELX-GUYCJALGSA-N 0 3 339.395 3.072 20 5 EGBDHN C[C@@H](NC1CCN(CC(F)(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268840539 252288748 /nfs/dbraw/zinc/28/87/48/252288748.db2.gz ZJGFYOZDRIUXEM-LLVKDONJSA-N 0 3 331.338 3.272 20 5 EGBDHN Cc1cc(C)cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000237634925 141011271 /nfs/dbraw/zinc/01/12/71/141011271.db2.gz FOFZCWXYLSFZPH-MRXNPFEDSA-N 0 3 326.400 3.293 20 5 EGBDHN Cc1ccc([C@H](C)NCc2ccc(OCCO)cc2)cc1[N+](=O)[O-] ZINC000358028102 141379753 /nfs/dbraw/zinc/37/97/53/141379753.db2.gz SNGHCTPSQWMHQD-AWEZNQCLSA-N 0 3 330.384 3.125 20 5 EGBDHN Cc1ccc([C@@H](C)NCc2ccc(OCCO)cc2)cc1[N+](=O)[O-] ZINC000358028105 141380286 /nfs/dbraw/zinc/38/02/86/141380286.db2.gz SNGHCTPSQWMHQD-CQSZACIVSA-N 0 3 330.384 3.125 20 5 EGBDHN Cc1cc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1 ZINC000187199519 144154269 /nfs/dbraw/zinc/15/42/69/144154269.db2.gz FBIWZJDBRVVLOD-KDOFPFPSSA-N 0 3 341.411 3.324 20 5 EGBDHN CC(C)c1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000188119305 144168636 /nfs/dbraw/zinc/16/86/36/144168636.db2.gz LASVFUSFWUMGPF-OAHLLOKOSA-N 0 3 331.416 3.029 20 5 EGBDHN O=[N+]([O-])c1ccc2[nH]c(CNC[C@H]3CCOc4ccccc43)nc2c1 ZINC000373237346 144498717 /nfs/dbraw/zinc/49/87/17/144498717.db2.gz QAYJFPXKOUBLAD-GFCCVEGCSA-N 0 3 338.367 3.127 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3C[C@H]4OCCC[C@H]34)cs2)c1 ZINC000190329152 153131122 /nfs/dbraw/zinc/13/11/22/153131122.db2.gz ASUQWYPUUDLFNU-BZUAXINKSA-N 0 3 345.424 3.375 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)CN(C)Cc1ccccc1 ZINC000192744452 153258240 /nfs/dbraw/zinc/25/82/40/153258240.db2.gz ACHJVZDKGHOHRK-ZDUSSCGKSA-N 0 3 331.420 3.052 20 5 EGBDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000310372895 154141010 /nfs/dbraw/zinc/14/10/10/154141010.db2.gz OJOMLFHIASSPPF-ZBFHGGJFSA-N 0 3 326.400 3.373 20 5 EGBDHN C[C@H]1[C@@H](NCc2csc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000336718278 154212214 /nfs/dbraw/zinc/21/22/14/154212214.db2.gz RKUQHGKJGJGGTA-BBRMVZONSA-N 0 3 331.441 3.409 20 5 EGBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(F)c2ccccc21 ZINC000344137624 164112717 /nfs/dbraw/zinc/11/27/17/164112717.db2.gz ICUZDJXKKWVXQL-LBPRGKRZSA-N 0 3 328.347 3.434 20 5 EGBDHN C[C@]1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1 ZINC000344381897 164167558 /nfs/dbraw/zinc/16/75/58/164167558.db2.gz NEOKIMAVVUZZRH-MRXNPFEDSA-N 0 3 333.413 3.235 20 5 EGBDHN CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)N1CCC(C)CC1 ZINC000345828296 164274157 /nfs/dbraw/zinc/27/41/57/164274157.db2.gz JAPDMLZMMSFABP-ZDUSSCGKSA-N 0 3 339.461 3.143 20 5 EGBDHN C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H](C)C1 ZINC000346226506 164359665 /nfs/dbraw/zinc/35/96/65/164359665.db2.gz XAJZBPJOBBJGHT-NEPJUHHUSA-N 0 3 339.823 3.098 20 5 EGBDHN CCCN(CCN1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000346230826 164360508 /nfs/dbraw/zinc/36/05/08/164360508.db2.gz CBYAHODFXYOMOE-UHFFFAOYSA-N 0 3 333.432 3.323 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H]4CC[C@@H](O)[C@@H]4C3)o2)cc1 ZINC000346334096 164370154 /nfs/dbraw/zinc/37/01/54/164370154.db2.gz NPOSDURZIQZIEJ-IAOVAPTHSA-N 0 3 328.368 3.058 20 5 EGBDHN CN(C)CCNC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000354970724 166075788 /nfs/dbraw/zinc/07/57/88/166075788.db2.gz CWTDXMNSHRMNEH-UHFFFAOYSA-N 0 3 344.371 3.070 20 5 EGBDHN CC(C)c1ccc(CN(CCO)[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000355486945 166218353 /nfs/dbraw/zinc/21/83/53/166218353.db2.gz PRFXDJKKHZIQAD-OAHLLOKOSA-N 0 3 338.473 3.408 20 5 EGBDHN COc1cc(CN[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000367684197 168259126 /nfs/dbraw/zinc/25/91/26/168259126.db2.gz KGAYHHFMNUQPIE-MDASCCDHSA-N 0 3 340.379 3.040 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(CCC(C)(C)C)CC1 ZINC000162982729 264913252 /nfs/dbraw/zinc/91/32/52/264913252.db2.gz LAMBVFWSVCVVMC-UHFFFAOYSA-N 0 3 348.447 3.489 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000274232023 267203369 /nfs/dbraw/zinc/20/33/69/267203369.db2.gz FAOQLDVXAFQCDC-AWEZNQCLSA-N 0 3 348.447 3.406 20 5 EGBDHN C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000266192833 274304919 /nfs/dbraw/zinc/30/49/19/274304919.db2.gz GVMDHMYVLSHKRE-OAHLLOKOSA-N 0 3 326.400 3.091 20 5 EGBDHN CCOc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000047453414 275141865 /nfs/dbraw/zinc/14/18/65/275141865.db2.gz HARUKRYMZVKZKL-UHFFFAOYSA-N 0 3 343.383 3.307 20 5 EGBDHN CCC(=O)c1ccc(NC2CCN(CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000280659946 275478727 /nfs/dbraw/zinc/47/87/27/275478727.db2.gz GOWHFCIRJYLGHU-UHFFFAOYSA-N 0 3 331.416 3.474 20 5 EGBDHN CN(C)CCN(Cc1csc([N+](=O)[O-])c1)Cc1cccs1 ZINC000289437698 276339043 /nfs/dbraw/zinc/33/90/43/276339043.db2.gz LMXQTVAPDRTOCZ-UHFFFAOYSA-N 0 3 325.459 3.282 20 5 EGBDHN NC(=O)[C@H]1CCCC[C@H]1NCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289601505 276364382 /nfs/dbraw/zinc/36/43/82/276364382.db2.gz SXURVGVSCYGJIU-CMPLNLGQSA-N 0 3 346.214 3.035 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000091937803 280397409 /nfs/dbraw/zinc/39/74/09/280397409.db2.gz DRUOIMSRXFPRKE-CVEARBPZSA-N 0 3 345.443 3.076 20 5 EGBDHN Cc1ccc(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000113343145 307475685 /nfs/dbraw/zinc/47/56/85/307475685.db2.gz QUDBCDIFPIVORI-AWEZNQCLSA-N 0 3 335.404 3.002 20 5 EGBDHN Cc1c(NC(=O)[C@@H](C)N[C@@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000119814250 307500108 /nfs/dbraw/zinc/50/01/08/307500108.db2.gz GDPHPQYNLWYCPH-IUODEOHRSA-N 0 3 349.431 3.166 20 5 EGBDHN COc1ccc([C@H](CO)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000414196680 309066284 /nfs/dbraw/zinc/06/62/84/309066284.db2.gz VTKWHRUJRCAKKO-BBRMVZONSA-N 0 3 330.384 3.030 20 5 EGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1c1ccco1 ZINC000414330854 309073353 /nfs/dbraw/zinc/07/33/53/309073353.db2.gz FGMDBCOKUXVGDZ-KCPJHIHWSA-N 0 3 329.356 3.051 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000248412729 308002442 /nfs/dbraw/zinc/00/24/42/308002442.db2.gz FOTHYRCQJUFQOQ-YSVLISHTSA-N 0 3 331.416 3.352 20 5 EGBDHN COc1ccc(CNc2ccc(CN(C)C)cc2F)cc1[N+](=O)[O-] ZINC000414488520 309083838 /nfs/dbraw/zinc/08/38/38/309083838.db2.gz OLGQUHPRHVTILI-UHFFFAOYSA-N 0 3 333.363 3.416 20 5 EGBDHN Cc1nnsc1CN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000293896264 308171940 /nfs/dbraw/zinc/17/19/40/308171940.db2.gz ZIVYGJAPESUMQA-GXTWGEPZSA-N 0 3 332.429 3.256 20 5 EGBDHN Cc1ccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])N2CCCC2)cc1 ZINC000294828378 308261694 /nfs/dbraw/zinc/26/16/94/308261694.db2.gz XAZVUVQRQOTFQO-KRWDZBQOSA-N 0 3 347.459 3.084 20 5 EGBDHN CSc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)N(C)C)cc1 ZINC000294833159 308262284 /nfs/dbraw/zinc/26/22/84/308262284.db2.gz AIAVIBOKCYTBRX-HNNXBMFYSA-N 0 3 347.444 3.130 20 5 EGBDHN C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000295468563 308330074 /nfs/dbraw/zinc/33/00/74/308330074.db2.gz YCVZRUXQPNGNMJ-GUYCJALGSA-N 0 3 331.416 3.179 20 5 EGBDHN C[C@H]1CN(CCCCNc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301793485 308715552 /nfs/dbraw/zinc/71/55/52/308715552.db2.gz PGQRNSRCQIZRPU-RYUDHWBXSA-N 0 3 343.374 3.174 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1N1CCN(C3CCCCC3)CC1)CCN2 ZINC000302879643 308749212 /nfs/dbraw/zinc/74/92/12/308749212.db2.gz HSRKJDMNTWUSOM-UHFFFAOYSA-N 0 3 330.432 3.018 20 5 EGBDHN CC(C)(NCCC(=O)Nc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000411760177 308951795 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EGBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000436725551 309770657 /nfs/dbraw/zinc/77/06/57/309770657.db2.gz SGEYZFKIACLNHT-OAHLLOKOSA-N 0 3 339.395 3.118 20 5 EGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2ccc3c(c2)COC3)n1 ZINC000447586101 309983419 /nfs/dbraw/zinc/98/34/19/309983419.db2.gz LOOYEKMFOLLYFA-IRXDYDNUSA-N 0 3 342.399 3.095 20 5 EGBDHN CC(C)Oc1ccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449081880 310035480 /nfs/dbraw/zinc/03/54/80/310035480.db2.gz ITANOEHRSLHJOJ-CQSZACIVSA-N 0 3 329.400 3.498 20 5 EGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000449237746 310046780 /nfs/dbraw/zinc/04/67/80/310046780.db2.gz CWMQZGPZXNHDPS-GDBMZVCRSA-N 0 3 345.443 3.049 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450860924 310146353 /nfs/dbraw/zinc/14/63/53/310146353.db2.gz NFGOEOQAFFXKLL-USXIJHARSA-N 0 3 332.400 3.041 20 5 EGBDHN CCOc1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)ccc1[N+](=O)[O-] ZINC000450870692 310146997 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EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451698555 310193134 /nfs/dbraw/zinc/19/31/34/310193134.db2.gz CSZFIBGYGQWYFD-RVKKMQEKSA-N 0 3 348.443 3.365 20 5 EGBDHN C[C@@H]1C[C@@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2nccn21 ZINC000453335978 310271705 /nfs/dbraw/zinc/27/17/05/310271705.db2.gz FEVCNOSZGIXPQE-UHOFOFEASA-N 0 3 326.400 3.408 20 5 EGBDHN Cc1cc(C)c(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000453345710 310272217 /nfs/dbraw/zinc/27/22/17/310272217.db2.gz FMRFCIYTLBMNPJ-HZPDHXFCSA-N 0 3 329.404 3.077 20 5 EGBDHN Cc1ccc(C[C@@H](CO)NCc2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000453636784 310286011 /nfs/dbraw/zinc/28/60/11/310286011.db2.gz UJODTBUTMRAGDE-SFHVURJKSA-N 0 3 328.412 3.213 20 5 EGBDHN CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C2CC2)CC1 ZINC000456193669 310392919 /nfs/dbraw/zinc/39/29/19/310392919.db2.gz TYQFBVZAFHEILP-UHFFFAOYSA-N 0 3 346.431 3.228 20 5 EGBDHN Cc1ccc(CNC[C@](C)(CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000483662187 310954303 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O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)CCc1ccccc1 ZINC000516663188 312336478 /nfs/dbraw/zinc/33/64/78/312336478.db2.gz HERMCLIUQHHGPQ-QAPCUYQASA-N 0 3 326.396 3.165 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC(OC(C)C)CC1 ZINC000532633076 313823196 /nfs/dbraw/zinc/82/31/96/313823196.db2.gz RFMPMWJBGBHVNW-UHFFFAOYSA-N 0 3 349.431 3.121 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000539840499 314344692 /nfs/dbraw/zinc/34/46/92/314344692.db2.gz AIWMGEPVYVLBMF-OAHLLOKOSA-N 0 3 347.459 3.370 20 5 EGBDHN CC[C@@H]1CCCCN1CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000550748514 315133920 /nfs/dbraw/zinc/13/39/20/315133920.db2.gz KNOUYBQKBKMUDA-OAHLLOKOSA-N 0 3 347.459 3.253 20 5 EGBDHN COc1ccc(CNCCOc2ccc([N+](=O)[O-])cc2)c(C)c1OC ZINC000554712213 315344676 /nfs/dbraw/zinc/34/46/76/315344676.db2.gz XNFAISNBFHKFAY-UHFFFAOYSA-N 0 3 346.383 3.089 20 5 EGBDHN C[C@H](C(=O)N(CCN(C)C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562300281 315815151 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EGBDHN C[C@@H](O)[C@@](C)(CNCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000191710070 455512046 /nfs/dbraw/zinc/51/20/46/455512046.db2.gz HUXYUCCQODMAST-DNVCBOLYSA-N 0 3 328.412 3.314 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCN(C(C)C)CC1 ZINC000267994230 455576154 /nfs/dbraw/zinc/57/61/54/455576154.db2.gz RZDDQJUEXQKVBH-UHFFFAOYSA-N 0 3 334.420 3.160 20 5 EGBDHN CCC[C@]1(CO)CCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277751262 455654685 /nfs/dbraw/zinc/65/46/85/455654685.db2.gz LMTNSOMKCWQKLQ-GOSISDBHSA-N 0 3 345.399 3.377 20 5 EGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCCN2C2CC2)c1 ZINC000277783228 455665190 /nfs/dbraw/zinc/66/51/90/455665190.db2.gz FHETWCNKRUWXEG-ZDUSSCGKSA-N 0 3 349.456 3.063 20 5 EGBDHN COC(=O)c1ccc(CN[C@@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000268911952 455727690 /nfs/dbraw/zinc/72/76/90/455727690.db2.gz SYDSEPDTJWLBCK-LBPRGKRZSA-N 0 3 332.356 3.085 20 5 EGBDHN O=C(CNCC1CC1)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000269236400 455818724 /nfs/dbraw/zinc/81/87/24/455818724.db2.gz WRASKCPFBLJTDP-UHFFFAOYSA-N 0 3 341.367 3.325 20 5 EGBDHN Cc1cccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000187185754 455878926 /nfs/dbraw/zinc/87/89/26/455878926.db2.gz BVGUPXZKDJLUFQ-KDOFPFPSSA-N 0 3 341.411 3.324 20 5 EGBDHN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000285805710 455920101 /nfs/dbraw/zinc/92/01/01/455920101.db2.gz USWLVHRBUOZZET-DYVFJYSZSA-N 0 3 339.395 3.277 20 5 EGBDHN O=[N+]([O-])c1ccccc1CN1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000261780556 455946637 /nfs/dbraw/zinc/94/66/37/455946637.db2.gz MWYXPFPXJIYEKX-QGZVFWFLSA-N 0 3 331.803 3.395 20 5 EGBDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000272479685 455964277 /nfs/dbraw/zinc/96/42/77/455964277.db2.gz MBHGWEVUCMMTSR-ZFWWWQNUSA-N 0 3 349.431 3.330 20 5 EGBDHN C[S@@](=O)C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000280613456 456013201 /nfs/dbraw/zinc/01/32/01/456013201.db2.gz KIBYHOVLNXSESW-XMMPIXPASA-N 0 3 348.424 3.246 20 5 EGBDHN CCC(=O)c1ccc(N2CC[C@H]3[C@H](CCCN3C)C2)c([N+](=O)[O-])c1 ZINC000280683262 456029831 /nfs/dbraw/zinc/02/98/31/456029831.db2.gz IRHSYZLADNPHIN-CABCVRRESA-N 0 3 331.416 3.108 20 5 EGBDHN Cc1cc(NCCCc2cnn(C)c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272802858 456074349 /nfs/dbraw/zinc/07/43/49/456074349.db2.gz FEOXTFMJCFZSFH-UHFFFAOYSA-N 0 3 325.372 3.230 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H](O)C3)o2)c(Cl)c1 ZINC000270995923 456091306 /nfs/dbraw/zinc/09/13/06/456091306.db2.gz JSUHJFYFRKYZNR-GFCCVEGCSA-N 0 3 336.775 3.465 20 5 EGBDHN C[C@H]1CN(C)CC[C@@H]1N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301558547 456146220 /nfs/dbraw/zinc/14/62/20/456146220.db2.gz TWVKKLXFUTXGMI-JQWIXIFHSA-N 0 3 331.338 3.390 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000301628506 456167510 /nfs/dbraw/zinc/16/75/10/456167510.db2.gz RQITWUVXGCEORO-GDBMZVCRSA-N 0 3 326.400 3.373 20 5 EGBDHN C[C@H]1C[C@@H](CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000273084251 456172581 /nfs/dbraw/zinc/17/25/81/456172581.db2.gz RHSMBDNYHWZNQG-RYUDHWBXSA-N 0 3 344.358 3.491 20 5 EGBDHN COc1cc(N2CCN(C3CCCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301909533 456248654 /nfs/dbraw/zinc/24/86/54/456248654.db2.gz BAWCLALXUJPYND-UHFFFAOYSA-N 0 3 337.395 3.197 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1OCCN(C)Cc1ccc(F)cc1 ZINC000189207449 456255252 /nfs/dbraw/zinc/25/52/52/456255252.db2.gz SKLBBSZMYOMMST-UHFFFAOYSA-N 0 3 334.347 3.253 20 5 EGBDHN Cc1c(CN[C@H]2CCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000301963276 456260574 /nfs/dbraw/zinc/26/05/74/456260574.db2.gz RKGIKVBSNIGHGH-AWEZNQCLSA-N 0 3 335.404 3.002 20 5 EGBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000343113953 456414940 /nfs/dbraw/zinc/41/49/40/456414940.db2.gz RFPJDXSLYYHFCP-GOSISDBHSA-N 0 3 330.384 3.029 20 5 EGBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000298744147 456529793 /nfs/dbraw/zinc/52/97/93/456529793.db2.gz MUGBOHSEFWATBJ-OAHLLOKOSA-N 0 3 345.424 3.223 20 5 EGBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000324614472 456671540 /nfs/dbraw/zinc/67/15/40/456671540.db2.gz LWRFGZUWQMJNHB-WDEREUQCSA-N 0 3 326.356 3.176 20 5 EGBDHN Cc1ccc(OC[C@H](O)CNCc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000327676011 456707456 /nfs/dbraw/zinc/70/74/56/456707456.db2.gz MQZWFILNSJPKME-QGZVFWFLSA-N 0 3 344.411 3.050 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1F ZINC000283311540 456756018 /nfs/dbraw/zinc/75/60/18/456756018.db2.gz ZAOMKWDAQBHOGE-YOEHRIQHSA-N 0 3 333.407 3.183 20 5 EGBDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000338306458 456763384 /nfs/dbraw/zinc/76/33/84/456763384.db2.gz VCVSKGZZQBHLBF-UHFFFAOYSA-N 0 3 341.411 3.235 20 5 EGBDHN CO[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1(C)C ZINC000344700526 456849747 /nfs/dbraw/zinc/84/97/47/456849747.db2.gz QKEJVPFDQXIDSX-OLZOCXBDSA-N 0 3 330.331 3.099 20 5 EGBDHN COCC(C)(C)N(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292117882 456858905 /nfs/dbraw/zinc/85/89/05/456858905.db2.gz JTQDCPWIVAOJRG-UHFFFAOYSA-N 0 3 333.388 3.149 20 5 EGBDHN O=[N+]([O-])c1ccc(CN(C[C@@H](O)Cc2ccc(F)cc2)C2CC2)cc1 ZINC000339059216 456920999 /nfs/dbraw/zinc/92/09/99/456920999.db2.gz HHKZOBDVLZKFLD-IBGZPJMESA-N 0 3 344.386 3.302 20 5 EGBDHN CC[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)N(CC)CC ZINC000359256492 457069595 /nfs/dbraw/zinc/06/95/95/457069595.db2.gz FUACPMMUUAWLBT-QGZVFWFLSA-N 0 3 335.448 3.452 20 5 EGBDHN C[C@H]1CCCC[C@H]1OCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331872154 457265910 /nfs/dbraw/zinc/26/59/10/457265910.db2.gz HDZPVLORRSPJDK-GOEBONIOSA-N 0 3 336.436 3.024 20 5 EGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c1 ZINC000363391624 457309856 /nfs/dbraw/zinc/30/98/56/457309856.db2.gz WMLBMEDQLIGVTR-GFCCVEGCSA-N 0 3 349.456 3.063 20 5 EGBDHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347279240 457327587 /nfs/dbraw/zinc/32/75/87/457327587.db2.gz XDXMPHOSHJWOEW-TXEJJXNPSA-N 0 3 338.383 3.118 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1cccs1)N1CCCC1 ZINC000360842821 457379606 /nfs/dbraw/zinc/37/96/06/457379606.db2.gz QVKQCCCIFCCEFV-ZDUSSCGKSA-N 0 3 349.460 3.430 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(Cn2cncn2)CC1 ZINC000347372138 457381528 /nfs/dbraw/zinc/38/15/28/457381528.db2.gz KKZQLBQXDZBQQO-DHDCSXOGSA-N 0 3 341.415 3.002 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)n1 ZINC000360868493 457393715 /nfs/dbraw/zinc/39/37/15/457393715.db2.gz BKHHPCPKCSLHJK-ZBFHGGJFSA-N 0 3 326.400 3.373 20 5 EGBDHN CO[C@@H]1CCCC[C@H]1NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425437152 457553956 /nfs/dbraw/zinc/55/39/56/457553956.db2.gz XVJQXVUOBVSZSI-TZMCWYRMSA-N 0 3 343.221 3.405 20 5 EGBDHN CSC1(CNc2c(F)cc([N+](=O)[O-])cc2F)CCN(C)CC1 ZINC000357568566 457599606 /nfs/dbraw/zinc/59/96/06/457599606.db2.gz ODJLRLFIWLDWGM-UHFFFAOYSA-N 0 3 331.388 3.112 20 5 EGBDHN CSc1cccc(C(=O)N[C@H]2CCN(C3CCCC3)C2)c1[N+](=O)[O-] ZINC000364517543 457630855 /nfs/dbraw/zinc/63/08/55/457630855.db2.gz IIIKAPOOBAEMIS-LBPRGKRZSA-N 0 3 349.456 3.063 20 5 EGBDHN CSc1ccccc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000358047377 457751911 /nfs/dbraw/zinc/75/19/11/457751911.db2.gz JGTREJJZOINWAA-CQSZACIVSA-N 0 3 344.440 3.398 20 5 EGBDHN CC1(C)C[C@@H](NCCOCC(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433149653 457765626 /nfs/dbraw/zinc/76/56/26/457765626.db2.gz JPCJHYNNUPDKKJ-CYBMUJFWSA-N 0 3 332.322 3.486 20 5 EGBDHN COc1ccc(-c2ccc(CN3CC[C@H](C)[C@H]3CO)o2)c([N+](=O)[O-])c1 ZINC000443857985 457817585 /nfs/dbraw/zinc/81/75/85/457817585.db2.gz VWOYMWGSXWJUFO-YVEFUNNKSA-N 0 3 346.383 3.066 20 5 EGBDHN C[C@H](c1ccccn1)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411412913 457880719 /nfs/dbraw/zinc/88/07/19/457880719.db2.gz CLIBRQIELVOJDM-CYBMUJFWSA-N 0 3 328.372 3.011 20 5 EGBDHN CCC1(CC)[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1OC ZINC000444697457 457945624 /nfs/dbraw/zinc/94/56/24/457945624.db2.gz KJXJYIMHVAGFRP-HUUCEWRRSA-N 0 3 332.404 3.154 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000458495650 458070137 /nfs/dbraw/zinc/07/01/37/458070137.db2.gz HSJZSAGYUJJDJP-HOCLYGCPSA-N 0 3 348.447 3.088 20 5 EGBDHN Cc1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000458495648 458070499 /nfs/dbraw/zinc/07/04/99/458070499.db2.gz HSJZSAGYUJJDJP-GDBMZVCRSA-N 0 3 348.447 3.088 20 5 EGBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(CO)C[C@H]2c2ccc(F)cc2)c(F)c1 ZINC000428552492 458168610 /nfs/dbraw/zinc/16/86/10/458168610.db2.gz VLOFAHVATYWGNY-FUHWJXTLSA-N 0 3 348.349 3.129 20 5 EGBDHN CNC(=O)c1ccc(CN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447535114 458306985 /nfs/dbraw/zinc/30/69/85/458306985.db2.gz CUCBQOPWTHJWIA-SFHVURJKSA-N 0 3 339.395 3.122 20 5 EGBDHN Cc1ccc(NC(=O)NC[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447911244 458365454 /nfs/dbraw/zinc/36/54/54/458365454.db2.gz ZJTKVTPERBKUIO-HNNXBMFYSA-N 0 3 334.420 3.145 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000494662344 458724517 /nfs/dbraw/zinc/72/45/17/458724517.db2.gz BKBOVGHNTPBPDQ-GOSISDBHSA-N 0 3 334.416 3.255 20 5 EGBDHN CN(C)c1cccc(CN(C)CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000432447384 458741328 /nfs/dbraw/zinc/74/13/28/458741328.db2.gz MBDNABPFXODUCN-UHFFFAOYSA-N 0 3 329.400 3.172 20 5 EGBDHN COC(=O)COc1ccc(CN(C2CC2)C2CCCC2)cc1[N+](=O)[O-] ZINC000530553348 458789991 /nfs/dbraw/zinc/78/99/91/458789991.db2.gz SLYJVWVPOSXFAG-UHFFFAOYSA-N 0 3 348.399 3.054 20 5 EGBDHN C[C@@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000440909534 458863121 /nfs/dbraw/zinc/86/31/21/458863121.db2.gz GDMXSTHHYIMXLQ-OCCSQVGLSA-N 0 3 345.443 3.247 20 5 EGBDHN CCN1CCN(c2ccc(Nc3ccc([N+](=O)[O-])nc3)c(C)c2)CC1 ZINC000555882338 458917434 /nfs/dbraw/zinc/91/74/34/458917434.db2.gz FYWFUIKIUJYAQW-UHFFFAOYSA-N 0 3 341.415 3.184 20 5 EGBDHN CC(C)(C)OC(=O)N1CC2(CC(NCc3ccccc3[N+](=O)[O-])C2)C1 ZINC000495735309 458934425 /nfs/dbraw/zinc/93/44/25/458934425.db2.gz VDHGJWCDAMCMHS-UHFFFAOYSA-N 0 3 347.415 3.084 20 5 EGBDHN CN(CCCOc1ccc([N+](=O)[O-])cc1)[C@H](CCO)c1ccccc1 ZINC000441423599 458939620 /nfs/dbraw/zinc/93/96/20/458939620.db2.gz SQJAWKFIDHQCDJ-LJQANCHMSA-N 0 3 344.411 3.419 20 5 EGBDHN CCc1cccc(OC[C@@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000556289723 458946643 /nfs/dbraw/zinc/94/66/43/458946643.db2.gz RGPJZPCZGYPWIJ-KSSFIOAISA-N 0 3 344.411 3.248 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000475643776 458956291 /nfs/dbraw/zinc/95/62/91/458956291.db2.gz XRDLAMBTTCIFFD-IUODEOHRSA-N 0 3 348.447 3.454 20 5 EGBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000556895588 459030121 /nfs/dbraw/zinc/03/01/21/459030121.db2.gz VAFSQTFJHAMVHW-RLGIIYIFSA-N 0 3 326.396 3.143 20 5 EGBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)CN1C1CC1 ZINC000577432825 459032798 /nfs/dbraw/zinc/03/27/98/459032798.db2.gz ICPHZSZYKOWLBV-UWVGGRQHSA-N 0 3 327.331 3.233 20 5 EGBDHN COc1cccc(CN(CCN(C)C)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000477715665 459055968 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CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN)c1 ZINC000591309740 459350971 /nfs/dbraw/zinc/35/09/71/459350971.db2.gz CTUPHFWYKVHIBL-UHFFFAOYSA-N 0 3 342.399 3.496 20 5 EGBDHN CC[C@@H]1CN(C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000560615711 459381192 /nfs/dbraw/zinc/38/11/92/459381192.db2.gz RGDDPJBVTHFFRA-CQSZACIVSA-N 0 3 329.400 3.381 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 ZINC000595747428 459424255 /nfs/dbraw/zinc/42/42/55/459424255.db2.gz JASFCVCRYHBUBS-PKOBYXMFSA-N 0 3 326.396 3.193 20 5 EGBDHN O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595791581 459443330 /nfs/dbraw/zinc/44/33/30/459443330.db2.gz WAQQLYIRRRUIAX-DOTOQJQBSA-N 0 3 334.416 3.255 20 5 EGBDHN C[C@@H]1[C@@H](C)N(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CCN1C ZINC000485402181 459454157 /nfs/dbraw/zinc/45/41/57/459454157.db2.gz GZCAYKOQOUJIPM-CHWSQXEVSA-N 0 3 344.390 3.325 20 5 EGBDHN CN(CCN1CCCC1)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485418951 459454805 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EGBDHN C[C@H](NCC1(NC(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903239831 1317679440 /nfs/dbraw/zinc/67/94/40/1317679440.db2.gz PSDMSAATWYJCPV-LBPRGKRZSA-N 0 3 335.404 3.303 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](NCC[C@@H](O)C2CC2)c2ccccc2)c1 ZINC000903407041 1317698232 /nfs/dbraw/zinc/69/82/32/1317698232.db2.gz MAHQZMHWKHDRAK-RTBURBONSA-N 0 3 326.396 3.435 20 5 EGBDHN Cc1cc(Br)cc2cc(C(=O)OCC(C)[N+](=O)[O-])oc21 ZINC000813105929 1318500573 /nfs/dbraw/zinc/50/05/73/1318500573.db2.gz VMFWTBRRSKTDJG-QMMMGPOBSA-N 0 3 342.145 3.326 20 5 EGBDHN CC(COC(=O)C(C)(C)c1csc(-c2cccs2)n1)[N+](=O)[O-] ZINC000813105828 1318501204 /nfs/dbraw/zinc/50/12/04/1318501204.db2.gz VFCIPELKWSMVFX-VIFPVBQESA-N 0 3 340.426 3.358 20 5 EGBDHN CCN1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@H](C)C1 ZINC000910271240 1318591333 /nfs/dbraw/zinc/59/13/33/1318591333.db2.gz QISKWNQXEZPUDK-GFCCVEGCSA-N 0 3 339.823 3.113 20 5 EGBDHN C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000815579618 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EGBDHN CC([C@H](OC(=O)CC[C@@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845874471 1321748219 /nfs/dbraw/zinc/74/82/19/1321748219.db2.gz ITORCJBIYQGLCW-WQGACYEGSA-N 0 3 325.336 3.034 20 5 EGBDHN CC([C@H](OC(=O)[C@H]1CCCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845879259 1321749189 /nfs/dbraw/zinc/74/91/89/1321749189.db2.gz IATYJLFZNIXUSA-SUNKGSAMSA-N 0 3 327.377 3.218 20 5 EGBDHN CC([C@H](OC(=O)COC1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845878683 1321749285 /nfs/dbraw/zinc/74/92/85/1321749285.db2.gz VOGZTAVJJBPUTA-SJCJKPOMSA-N 0 3 339.363 3.425 20 5 EGBDHN O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000847302495 1321861015 /nfs/dbraw/zinc/86/10/15/1321861015.db2.gz MLWWPOSCXVNPRX-HNNXBMFYSA-N 0 3 326.352 3.022 20 5 EGBDHN COc1cc(N[C@H]2CCCN3CCCC[C@@H]23)c([N+](=O)[O-])cc1OC ZINC000848785885 1322010901 /nfs/dbraw/zinc/01/09/01/1322010901.db2.gz OETUPEHOZXBRPX-JSGCOSHPSA-N 0 3 335.404 3.041 20 5 EGBDHN C[C@@H](NCc1ccc2c(c1)CCC(=O)N2C)c1ccc([N+](=O)[O-])cc1 ZINC000922537255 1322552008 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EGBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)C(C1CCC1)C1CCC1 ZINC001132964223 1375678620 /nfs/dbraw/zinc/67/86/20/1375678620.db2.gz FVOLMALULHIILN-UHFFFAOYSA-N 0 3 345.443 3.017 20 5 EGBDHN O=[N+]([O-])c1cccc2ncnc(NCC3CN(Cc4ccccc4)C3)c21 ZINC001156403337 1380571993 /nfs/dbraw/zinc/57/19/93/1380571993.db2.gz UMLQMUJVRYOEOW-UHFFFAOYSA-N 0 3 349.394 3.082 20 5 EGBDHN Cc1ccnc(NC2CCN(Cc3ccc(O)cc3)CC2)c1[N+](=O)[O-] ZINC001161131201 1382312008 /nfs/dbraw/zinc/31/20/08/1382312008.db2.gz RFIMFZUXVPGVNK-UHFFFAOYSA-N 0 3 342.399 3.080 20 5 EGBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1CCC2(CC2)CC1 ZINC001162684849 1382832937 /nfs/dbraw/zinc/83/29/37/1382832937.db2.gz IBPPMTLRXHFNOB-UHFFFAOYSA-N 0 3 345.443 3.161 20 5 EGBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2csc(-c3cccc(F)c3)n2)C1 ZINC001169003597 1384085175 /nfs/dbraw/zinc/08/51/75/1384085175.db2.gz OMRQVGAUNQYDFR-SMDDNHRTSA-N 0 3 335.404 3.484 20 5 EGBDHN Cc1cc(CN(Cc2ccccc2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)on1 ZINC001169039235 1384097882 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CSC[C@H](CCO)N[C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC001332229965 1390058037 /nfs/dbraw/zinc/05/80/37/1390058037.db2.gz BIWCKKOOLXYKEH-QWRGUYRKSA-N 0 3 330.475 3.081 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1nc(C(C)C)no1 ZINC001333321325 1390283586 /nfs/dbraw/zinc/28/35/86/1390283586.db2.gz JYWWGBQTPTZZGK-LLVKDONJSA-N 0 3 334.376 3.003 20 5 EGBDHN C[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001334056860 1390468858 /nfs/dbraw/zinc/46/88/58/1390468858.db2.gz KVFDOCAWOPAFDZ-GHMZBOCLSA-N 0 3 343.221 3.262 20 5 EGBDHN COC(=O)[C@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001347648614 1391105479 /nfs/dbraw/zinc/10/54/79/1391105479.db2.gz SOQFVTXEAUNDGY-WCQYABFASA-N 0 3 346.305 3.045 20 5 EGBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)c1sccc1C ZINC001754030145 1440533643 /nfs/dbraw/zinc/53/36/43/1440533643.db2.gz DLZZOXNDANFKSM-UHFFFAOYSA-N 0 3 347.440 3.217 20 5 EGBDHN Cc1ccccc1C[C@H](CO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000786156203 1126109727 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O=[N+]([O-])c1cnc(N2C[C@H]3CN(Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000368590720 285179619 /nfs/dbraw/zinc/17/96/19/285179619.db2.gz DQGXQAAUMYTRLA-HUUCEWRRSA-N 0 3 344.440 3.010 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c(F)c1 ZINC000269703139 141060119 /nfs/dbraw/zinc/06/01/19/141060119.db2.gz YZQHMXINYVPCGE-KSSFIOAISA-N 0 3 333.407 3.183 20 5 EGBDHN CN1CC=C(CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000342793570 141148532 /nfs/dbraw/zinc/14/85/32/141148532.db2.gz VQAKVIZWWTWIPQ-UHFFFAOYSA-N 0 3 326.194 3.031 20 5 EGBDHN O=[N+]([O-])c1ccccc1CCNCc1ccc(Br)o1 ZINC000350626596 141257351 /nfs/dbraw/zinc/25/73/51/141257351.db2.gz NWGYAMDMKKPEJY-UHFFFAOYSA-N 0 3 325.162 3.283 20 5 EGBDHN Cc1ccc(CCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000353444679 141296978 /nfs/dbraw/zinc/29/69/78/141296978.db2.gz ZYYIFHCNKQWBEF-UHFFFAOYSA-N 0 3 340.427 3.053 20 5 EGBDHN C[C@H]1CCN(C)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353448663 141297874 /nfs/dbraw/zinc/29/78/74/141297874.db2.gz 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EGBDHN O=[N+]([O-])c1ccc(CCNCc2cnn(-c3ccc(F)cc3)c2)cc1 ZINC000105448101 162055784 /nfs/dbraw/zinc/05/57/84/162055784.db2.gz UOOHRZFQUPKFPQ-UHFFFAOYSA-N 0 3 340.358 3.252 20 5 EGBDHN CC[C@](C)(O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000111384486 162155134 /nfs/dbraw/zinc/15/51/34/162155134.db2.gz KNYJTEVSEYOKID-KRWDZBQOSA-N 0 3 334.372 3.114 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248661958 163027142 /nfs/dbraw/zinc/02/71/42/163027142.db2.gz GEGJMOWCFNIPRE-CJNGLKHVSA-N 0 3 343.431 3.052 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3C[C@@H]4OCCC[C@@H]34)cs2)c1 ZINC000249194435 163060389 /nfs/dbraw/zinc/06/03/89/163060389.db2.gz ASUQWYPUUDLFNU-XHSDSOJGSA-N 0 3 345.424 3.375 20 5 EGBDHN CC(C)(C)OCCCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000354730636 166018814 /nfs/dbraw/zinc/01/88/14/166018814.db2.gz KOISHVXVYBRADZ-AWEZNQCLSA-N 0 3 336.436 3.071 20 5 EGBDHN COc1cccc(C[C@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000344126719 164109430 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O=[N+]([O-])c1ccc(OCCN2CCCN(c3ccccc3)CC2)cc1 ZINC000195718826 266191732 /nfs/dbraw/zinc/19/17/32/266191732.db2.gz JBTIQMHVBYRHRH-UHFFFAOYSA-N 0 3 341.411 3.186 20 5 EGBDHN C[C@@H](CC(=O)Nc1cccnc1Cl)NCc1ccc([N+](=O)[O-])cc1 ZINC000089513345 274206842 /nfs/dbraw/zinc/20/68/42/274206842.db2.gz BLYJBJNXACMNLR-NSHDSACASA-N 0 3 348.790 3.150 20 5 EGBDHN Cc1cc(=NCc2cn3ccsc3n2)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000362556401 274674145 /nfs/dbraw/zinc/67/41/45/274674145.db2.gz UEKVYPHTOMCMPX-UHFFFAOYSA-N 0 3 339.380 3.195 20 5 EGBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3Cc4ccc(Cl)cc4C3)nc2c1 ZINC000337376350 275038848 /nfs/dbraw/zinc/03/88/48/275038848.db2.gz RWIDQKBTSNAQOL-ZDUSSCGKSA-N 0 3 342.786 3.382 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000047452792 275141717 /nfs/dbraw/zinc/14/17/17/275141717.db2.gz AAWBDELPQJAYCY-MDZDMXLPSA-N 0 3 325.368 3.308 20 5 EGBDHN CC(C)(C)[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000278714629 275268127 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EGBDHN Cc1cc(C)n(CCN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451546403 310184909 /nfs/dbraw/zinc/18/49/09/310184909.db2.gz JFXHMVCWMVRWIB-KRWDZBQOSA-N 0 3 328.416 3.288 20 5 EGBDHN CC(C)N1CCC[C@H](N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551784 310185514 /nfs/dbraw/zinc/18/55/14/310185514.db2.gz VIMFUKDBOLWAHD-AEFFLSMTSA-N 0 3 345.443 3.174 20 5 EGBDHN COc1ccc2c(c1)C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)CO2 ZINC000453063627 310255426 /nfs/dbraw/zinc/25/54/26/310255426.db2.gz FBDHJYVXMDCXDN-WFASDCNBSA-N 0 3 328.368 3.258 20 5 EGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NC1(C(=O)Nc2ccccc2)CC1 ZINC000453198336 310263470 /nfs/dbraw/zinc/26/34/70/310263470.db2.gz NXNJZKQFJIDXQX-AWEZNQCLSA-N 0 3 339.395 3.287 20 5 EGBDHN CCCC[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000460357634 310582513 /nfs/dbraw/zinc/58/25/13/310582513.db2.gz UTGKZRSFEOYMDH-UKRRQHHQSA-N 0 3 349.431 3.490 20 5 EGBDHN CC1(c2cccc(Cl)c2)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000483226495 310945218 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CC[C@@H](NC[C@@H](O)c1cccc(OC)c1)c1cccc([N+](=O)[O-])c1 ZINC000268935049 455735858 /nfs/dbraw/zinc/73/58/58/455735858.db2.gz ROXZCGHVYWSYIH-QZTJIDSGSA-N 0 3 330.384 3.378 20 5 EGBDHN Cc1cc(NC(=O)NCc2cccc(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000193630874 455768543 /nfs/dbraw/zinc/76/85/43/455768543.db2.gz PXVJRNXNIRTSOB-UHFFFAOYSA-N 0 3 342.399 3.287 20 5 EGBDHN CO[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1C ZINC000251910632 455799564 /nfs/dbraw/zinc/79/95/64/455799564.db2.gz RRVZGZNJGMNWNU-SUMWQHHRSA-N 0 3 345.399 3.149 20 5 EGBDHN CC(C)c1ccc(C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000251934776 455800020 /nfs/dbraw/zinc/80/00/20/455800020.db2.gz UEDLWKPBLBSIJO-XJKSGUPXSA-N 0 3 333.432 3.130 20 5 EGBDHN COc1ccc([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000194352520 455831206 /nfs/dbraw/zinc/83/12/06/455831206.db2.gz DCWJWNCVYWBVHZ-ZDUSSCGKSA-N 0 3 346.383 3.342 20 5 EGBDHN Cc1c(C(=O)N[C@@H](C)[C@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000187248741 455887370 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EGBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000301519524 456136927 /nfs/dbraw/zinc/13/69/27/456136927.db2.gz FBHYDMJICHKFHW-ZYHUDNBSSA-N 0 3 342.237 3.134 20 5 EGBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000301558549 456145983 /nfs/dbraw/zinc/14/59/83/456145983.db2.gz TWVKKLXFUTXGMI-ZYHUDNBSSA-N 0 3 331.338 3.390 20 5 EGBDHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000281317962 456200957 /nfs/dbraw/zinc/20/09/57/456200957.db2.gz RATNBJKPZFJSRH-ZYUBPSHWSA-N 0 3 336.407 3.495 20 5 EGBDHN C[C@@H]1CN(C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301814652 456221598 /nfs/dbraw/zinc/22/15/98/456221598.db2.gz GGBVPROSVUDAAZ-ZWNOBZJWSA-N 0 3 331.338 3.390 20 5 EGBDHN CN(CC1CCN(c2ccncc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000301912728 456249341 /nfs/dbraw/zinc/24/93/41/456249341.db2.gz HESFEMVKVPFDSQ-UHFFFAOYSA-N 0 3 326.400 3.343 20 5 EGBDHN COc1cc(NC[C@@H](C)N2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301955604 456258127 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Cc1cc(NC(=O)NCCN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000352885076 456388225 /nfs/dbraw/zinc/38/82/25/456388225.db2.gz WCSXFMXGZXWDRE-UHFFFAOYSA-N 0 3 342.399 3.157 20 5 EGBDHN CCCn1ccnc1CCCN(C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282578323 456558235 /nfs/dbraw/zinc/55/82/35/456558235.db2.gz VRXNPUUUHZJIIX-UHFFFAOYSA-N 0 3 334.395 3.405 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000310326802 456581880 /nfs/dbraw/zinc/58/18/80/456581880.db2.gz ZAZPSCHIFRVHDQ-OAHLLOKOSA-N 0 3 327.384 3.290 20 5 EGBDHN Cc1ccc(CN[C@H]2CCO[C@H]2c2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000343388590 456582450 /nfs/dbraw/zinc/58/24/50/456582450.db2.gz JPGLVGBCDCDCGM-MAUKXSAKSA-N 0 3 344.415 3.300 20 5 EGBDHN CC(C)N(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000282660378 456583690 /nfs/dbraw/zinc/58/36/90/456583690.db2.gz LWVQEZJFGUPHTL-UHFFFAOYSA-N 0 3 331.372 3.427 20 5 EGBDHN CN(C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCN(C)CC1 ZINC000291306270 456599759 /nfs/dbraw/zinc/59/97/59/456599759.db2.gz 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EGBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H](CO)c2ccc(F)cc2)c1 ZINC000840964511 1321189048 /nfs/dbraw/zinc/18/90/48/1321189048.db2.gz WYBZMBRMJXWPAR-ZDUSSCGKSA-N 0 3 338.766 3.253 20 5 EGBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@@]1(O)CCc2ccccc21 ZINC000843421505 1321516216 /nfs/dbraw/zinc/51/62/16/1321516216.db2.gz QNEAKNQGFXLRJL-NSDNCLLMSA-N 0 3 338.407 3.374 20 5 EGBDHN CN(CCN1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000844527659 1321616585 /nfs/dbraw/zinc/61/65/85/1321616585.db2.gz GDUINNKWYBAYMK-UHFFFAOYSA-N 0 3 340.811 3.198 20 5 EGBDHN CC(C)(C)[N@@H+]1CC[C@H]1COC(=O)c1cc2cccc([N+](=O)[O-])c2[n-]1 ZINC000845735533 1321738791 /nfs/dbraw/zinc/73/87/91/1321738791.db2.gz NTYJZESJJBVGID-LBPRGKRZSA-N 0 3 331.372 3.106 20 5 EGBDHN CC(C)(C)[N@H+]1CC[C@H]1COC(=O)c1cc2cccc([N+](=O)[O-])c2[n-]1 ZINC000845735533 1321738794 /nfs/dbraw/zinc/73/87/94/1321738794.db2.gz NTYJZESJJBVGID-LBPRGKRZSA-N 0 3 331.372 3.106 20 5 EGBDHN COc1cccc(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845872225 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327.352 3.138 20 5 EGBDHN CC([C@@H](OC(=O)C1Cc2ccccc2C1)c1ccccc1F)[N+](=O)[O-] ZINC000845884388 1321750836 /nfs/dbraw/zinc/75/08/36/1321750836.db2.gz YUHCJDWVIPMWMN-KPZWWZAWSA-N 0 3 343.354 3.490 20 5 EGBDHN CC([C@H](OC(=O)C1Cc2ccccc2C1)c1ccccc1F)[N+](=O)[O-] ZINC000845884391 1321751116 /nfs/dbraw/zinc/75/11/16/1321751116.db2.gz YUHCJDWVIPMWMN-XIKOKIGWSA-N 0 3 343.354 3.490 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)c1cccc(C)c1 ZINC000850445879 1322250804 /nfs/dbraw/zinc/25/08/04/1322250804.db2.gz JQKJMIJITCGHSN-SUMWQHHRSA-N 0 3 330.384 3.296 20 5 EGBDHN COc1cccc(NC(=O)CCN[C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932178283 1329791456 /nfs/dbraw/zinc/79/14/56/1329791456.db2.gz YDBAFEWBFXBNPW-CYBMUJFWSA-N 0 3 343.383 3.283 20 5 EGBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1ccccc1[N+](=O)[O-] ZINC000866289901 1330091211 /nfs/dbraw/zinc/09/12/11/1330091211.db2.gz LTROXOFAKBBXSJ-NSHDSACASA-N 0 3 333.319 3.363 20 5 EGBDHN Cc1nn(CN2CC[C@@H]3CCCC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 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333.432 3.017 20 5 EGBDHN CN(C)c1ccncc1NC(=O)c1cccc2nc3ccccc3nc21 ZINC001153864418 1380146529 /nfs/dbraw/zinc/14/65/29/1380146529.db2.gz BTMWFZLZXDSBHX-UHFFFAOYSA-N 0 3 343.390 3.496 20 5 EGBDHN NCc1ccc2c(n1)N(c1ccc3cccc([N+](=O)[O-])c3n1)CCC2 ZINC001158648592 1381336488 /nfs/dbraw/zinc/33/64/88/1381336488.db2.gz BUYWHGQCBFMKPJ-UHFFFAOYSA-N 0 3 335.367 3.081 20 5 EGBDHN CC(C)(C(=O)NCCCNCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC001160074874 1381989939 /nfs/dbraw/zinc/98/99/39/1381989939.db2.gz BTWRNYQUMPALJK-UHFFFAOYSA-N 0 3 347.459 3.407 20 5 EGBDHN NCc1ccc(Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)cn1 ZINC001160402063 1382095728 /nfs/dbraw/zinc/09/57/28/1382095728.db2.gz KMJGBRJFXSQPRA-UHFFFAOYSA-N 0 3 329.747 3.394 20 5 EGBDHN Cc1oc(C)c(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])c1C ZINC001162103518 1382630035 /nfs/dbraw/zinc/63/00/35/1382630035.db2.gz GPMQMOJCDIXNLC-UHFFFAOYSA-N 0 3 345.399 3.023 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1cccc([N+](=O)[O-])n1 ZINC001165201112 1383246798 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CC([C@@H](OC(=O)[C@@H]1C[C@H]1c1ccncc1)c1ccccc1F)[N+](=O)[O-] ZINC001348940469 1391286508 /nfs/dbraw/zinc/28/65/08/1391286508.db2.gz SADIRKHUMJZRCP-ZYIUAKIQSA-N 0 3 344.342 3.274 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN[C@H](c2ccccc2)C2CC2)c1 ZINC000023678826 202107545 /nfs/dbraw/zinc/10/75/45/202107545.db2.gz ZNSVXXABKYUTSF-IEBWSBKVSA-N 0 3 342.395 3.075 20 5 EGBDHN COc1ccc(NC(=O)CN(CC2CCC2)C(C)C)c([N+](=O)[O-])c1 ZINC000193209242 240059975 /nfs/dbraw/zinc/05/99/75/240059975.db2.gz HNHRBWBHKLAKSE-UHFFFAOYSA-N 0 3 335.404 3.052 20 5 EGBDHN Cc1ccc(CN(C)C)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000128207390 205137820 /nfs/dbraw/zinc/13/78/20/205137820.db2.gz RFCSVLAVCKNFNO-UHFFFAOYSA-N 0 3 341.411 3.454 20 5 EGBDHN C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](C)C1 ZINC000264941987 247069590 /nfs/dbraw/zinc/06/95/90/247069590.db2.gz SBUDBRQMKUZFCE-NEPJUHHUSA-N 0 3 339.823 3.098 20 5 EGBDHN CC[C@@H](NCc1ccc([N+](=O)[O-])cc1)[C@H](O)c1c(F)cccc1F ZINC000266292489 248229370 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CCC1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117336073 152093791 /nfs/dbraw/zinc/09/37/91/152093791.db2.gz WTZZJKWMUDWGFK-UHFFFAOYSA-N 0 3 333.388 3.015 20 5 EGBDHN Cc1ccc([C@H](C)NCCCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000119902728 152236774 /nfs/dbraw/zinc/23/67/74/152236774.db2.gz FFNHNMHOSCKPIV-XHSDSOJGSA-N 0 3 335.448 3.053 20 5 EGBDHN CC[C@H](COC)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000120206498 152260023 /nfs/dbraw/zinc/26/00/23/152260023.db2.gz RJNCGNVTELGOMH-GFCCVEGCSA-N 0 3 334.372 3.378 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCC[C@@H]1OC(F)F ZINC000337395019 154331110 /nfs/dbraw/zinc/33/11/10/154331110.db2.gz IPZVLIIKRBRALX-JSGCOSHPSA-N 0 3 330.331 3.243 20 5 EGBDHN O=[N+]([O-])c1cccc(CN(CCCO[C@@H]2CCCCO2)C2CC2)c1 ZINC000338286504 163207254 /nfs/dbraw/zinc/20/72/54/163207254.db2.gz RRSCQUCHBYBGCT-GOSISDBHSA-N 0 3 334.416 3.493 20 5 EGBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000354371096 166011407 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CC[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N(CC)CC ZINC000359722895 167214008 /nfs/dbraw/zinc/21/40/08/167214008.db2.gz VYBCSOWUJCXKCX-QGZVFWFLSA-N 0 3 333.432 3.206 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC([C@@H]4CCOC4)C3)o2)cc1 ZINC000366251414 168098892 /nfs/dbraw/zinc/09/88/92/168098892.db2.gz VQWOOXKUISMTQP-CQSZACIVSA-N 0 3 328.368 3.323 20 5 EGBDHN CCc1ccc(C(=O)NCc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000174061642 265021691 /nfs/dbraw/zinc/02/16/91/265021691.db2.gz KJZPCYFGRKUFEO-UHFFFAOYSA-N 0 3 341.411 3.149 20 5 EGBDHN COc1ccc([C@@H]2CCCCCN2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176199022 265163401 /nfs/dbraw/zinc/16/34/01/265163401.db2.gz KIOMENGJGFVTNK-KRWDZBQOSA-N 0 3 344.415 3.417 20 5 EGBDHN CCO[C@@H]1C[C@H](N[C@H](CC)c2cccc([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000274249754 267205647 /nfs/dbraw/zinc/20/56/47/267205647.db2.gz SAUZTQNUOYZGED-XMTFNYHQSA-N 0 3 334.416 3.362 20 5 EGBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CCN(C2CC2)CC1 ZINC000278458206 268017509 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EGBDHN O=[N+]([O-])c1cccc(F)c1NCC1(N2CCCCC2)CCOCC1 ZINC000287366301 276112540 /nfs/dbraw/zinc/11/25/40/276112540.db2.gz QEKRRUADMYSZAO-UHFFFAOYSA-N 0 3 337.395 3.181 20 5 EGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCCO[C@@H]1CCOC1 ZINC000290828962 276547377 /nfs/dbraw/zinc/54/73/77/276547377.db2.gz HSXCXOYOINQDLK-GFCCVEGCSA-N 0 3 349.214 3.187 20 5 EGBDHN C[C@H]1[C@H](C)N(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCN1C ZINC000356788837 280111966 /nfs/dbraw/zinc/11/19/66/280111966.db2.gz DRJWKAGBMQCNMU-KBPBESRZSA-N 0 3 326.400 3.186 20 5 EGBDHN CN1CC[C@H]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000352089140 290233305 /nfs/dbraw/zinc/23/33/05/290233305.db2.gz HRMGJQLEYQZBEV-IINYFYTJSA-N 0 3 329.322 3.144 20 5 EGBDHN Cc1ccc([C@@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000067452452 307365625 /nfs/dbraw/zinc/36/56/25/307365625.db2.gz JBZAHNMQAYXDEE-RDTXWAMCSA-N 0 3 339.395 3.359 20 5 EGBDHN CC(C)c1ccc(CN[C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000152721110 307758320 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20 5 EGBDHN NC(=O)Nc1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192645809 455661723 /nfs/dbraw/zinc/66/17/23/455661723.db2.gz XEKGKRIYBZKTSI-QGZVFWFLSA-N 0 3 340.383 3.253 20 5 EGBDHN O=[N+]([O-])c1ccccc1C[C@H](N[C@@H](CCO)c1ccco1)C1CC1 ZINC000186550497 455791464 /nfs/dbraw/zinc/79/14/64/455791464.db2.gz FTDOFAPYFJGZDR-HOTGVXAUSA-N 0 3 330.384 3.222 20 5 EGBDHN CCO[C@H](CNCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000194466713 455846104 /nfs/dbraw/zinc/84/61/04/455846104.db2.gz UKFQBPXZFMONMQ-GOSISDBHSA-N 0 3 330.384 3.471 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCc1cccc(C)n1 ZINC000285572164 455872798 /nfs/dbraw/zinc/87/27/98/455872798.db2.gz NVTTZUHHHPDWBR-UHFFFAOYSA-N 0 3 329.400 3.419 20 5 EGBDHN CCCN(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC(C)(C)O ZINC000270570771 455984594 /nfs/dbraw/zinc/98/45/94/455984594.db2.gz GQRUDUIEHAHYET-UHFFFAOYSA-N 0 3 333.388 3.233 20 5 EGBDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000262512262 456042473 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O=[N+]([O-])c1cccc(OCCN2CCCN(c3ccccc3)CC2)c1 ZINC000303011376 456441238 /nfs/dbraw/zinc/44/12/38/456441238.db2.gz XASJPSMUPZCETF-UHFFFAOYSA-N 0 3 341.411 3.186 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNc1c([N+](=O)[O-])c(C)nn1CC)c1ccco1 ZINC000343251803 456483656 /nfs/dbraw/zinc/48/36/56/456483656.db2.gz PKXFKMXUHJZJMK-YPMHNXCESA-N 0 3 335.408 3.254 20 5 EGBDHN C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000340503886 456496710 /nfs/dbraw/zinc/49/67/10/456496710.db2.gz ONXGOHMXZHOMBC-UPJWGTAASA-N 0 3 337.445 3.134 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000348138754 456510523 /nfs/dbraw/zinc/51/05/23/456510523.db2.gz JNXVGZGEECRNOG-UHFFFAOYSA-N 0 3 334.420 3.243 20 5 EGBDHN CCO[C@H]1COCC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353183139 456544504 /nfs/dbraw/zinc/54/45/04/456544504.db2.gz HCSCDCMTXZGDEO-QAPCUYQASA-N 0 3 346.383 3.138 20 5 EGBDHN Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccnn2C(C)C)cc1[N+](=O)[O-] ZINC000343388588 456581857 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COc1c(O)ccc(CNC[C@H](C)Oc2cccc(C)c2)c1[N+](=O)[O-] ZINC000892956642 1305626583 /nfs/dbraw/zinc/62/65/83/1305626583.db2.gz VJQGZQPNUYCCSR-ZDUSSCGKSA-N 0 3 346.383 3.175 20 5 EGBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)Cc2cccc(F)c2)cc1Cl ZINC000824509800 1320262185 /nfs/dbraw/zinc/26/21/85/1320262185.db2.gz ORZIEJOXHVSIHW-AWEZNQCLSA-N 0 3 338.766 3.081 20 5 EGBDHN CN(C)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC000804322191 1317218186 /nfs/dbraw/zinc/21/81/86/1317218186.db2.gz ZZNIBKNPCWYASI-HNNXBMFYSA-N 0 3 330.344 3.218 20 5 EGBDHN O=C(C=C1CCCCC1)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021880222 1318717644 /nfs/dbraw/zinc/71/76/44/1318717644.db2.gz KQIDPTCWANIJGF-CALCHBBNSA-N 0 3 343.427 3.222 20 5 EGBDHN CN1CCC[C@]2(CCN(c3nc4ccc([N+](=O)[O-])cc4s3)C2)C1 ZINC000814909059 1318846392 /nfs/dbraw/zinc/84/63/92/1318846392.db2.gz HECBWUJXXIBODR-INIZCTEOSA-N 0 3 332.429 3.127 20 5 EGBDHN CC(COC(=O)c1cnn(C2CCCC2)c1-c1ccccc1)[N+](=O)[O-] ZINC000817739373 1319432568 /nfs/dbraw/zinc/43/25/68/1319432568.db2.gz LSIOHIAKIUCEHA-CYBMUJFWSA-N 0 3 343.383 3.487 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000819001350 1319610012 /nfs/dbraw/zinc/61/00/12/1319610012.db2.gz LNRGGBSIWBXEOQ-CEXWTWQISA-N 0 3 342.395 3.138 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@@H]2CCCOc3cc(F)ccc32)c1 ZINC000819210778 1319669474 /nfs/dbraw/zinc/66/94/74/1319669474.db2.gz KSVVGPVZWWSMGO-SJORKVTESA-N 0 3 346.358 3.271 20 5 EGBDHN O=[N+]([O-])c1cc(CNC[C@H](O)c2ccccc2)cc(C(F)(F)F)c1 ZINC000819270434 1319685617 /nfs/dbraw/zinc/68/56/17/1319685617.db2.gz YZXLOLCEPLWYBV-HNNXBMFYSA-N 0 3 340.301 3.437 20 5 EGBDHN C[C@@H](c1ccncc1)N1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000819922848 1319802502 /nfs/dbraw/zinc/80/25/02/1319802502.db2.gz MTHCUWTWVWBYFS-ZDUSSCGKSA-N 0 3 341.415 3.210 20 5 EGBDHN Cc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1C ZINC000845872375 1321747211 /nfs/dbraw/zinc/74/72/11/1321747211.db2.gz HRKQAZIMNHOGKS-MLGOLLRUSA-N 0 3 334.347 3.344 20 5 EGBDHN CC([C@@H](OC(=O)c1ccc2c(c1)CCO2)c1ccccc1F)[N+](=O)[O-] ZINC000845874335 1321747726 /nfs/dbraw/zinc/74/77/26/1321747726.db2.gz HQCQPGJDIPZSJS-APPDUMDISA-N 0 3 345.326 3.324 20 5 EGBDHN CC([C@H](OC(=O)CCc1ccncc1)c1ccccc1F)[N+](=O)[O-] ZINC000845874631 1321747777 /nfs/dbraw/zinc/74/77/77/1321747777.db2.gz IEKQMPONSGYFOT-SJCJKPOMSA-N 0 3 332.331 3.103 20 5 EGBDHN CC([C@@H](OC(=O)C1CCSCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845875537 1321748756 /nfs/dbraw/zinc/74/87/56/1321748756.db2.gz NHELCQDVNNRLPI-QMTHXVAHSA-N 0 3 327.377 3.218 20 5 EGBDHN CC([C@@H](OC(=O)[C@H]1Cc2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC000845875021 1321748765 /nfs/dbraw/zinc/74/87/65/1321748765.db2.gz JNRIUFAVWTUNBC-XQAQDONZSA-N 0 3 329.327 3.415 20 5 EGBDHN CC(C)n1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845876663 1321749644 /nfs/dbraw/zinc/74/96/44/1321749644.db2.gz PTJUICZWQJTLFL-XHDPSFHLSA-N 0 3 335.335 3.166 20 5 EGBDHN CC(C)c1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n(C)n1 ZINC000845881129 1321750643 /nfs/dbraw/zinc/75/06/43/1321750643.db2.gz YCXDPGHOOMDXIY-ZBEGNZNMSA-N 0 3 349.362 3.246 20 5 EGBDHN C[C@@H](CNC(=O)OC(C)(C)C)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848546873 1321973475 /nfs/dbraw/zinc/97/34/75/1321973475.db2.gz HUBLMKUMJOSFDO-SMDDNHRTSA-N 0 3 335.404 3.085 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](O)c1ccccc1C ZINC000850434720 1322248673 /nfs/dbraw/zinc/24/86/73/1322248673.db2.gz WXWMSRCSUDNJBQ-SUMWQHHRSA-N 0 3 330.384 3.296 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCCO[C@@H]1CCCCO1 ZINC000922232450 1322484093 /nfs/dbraw/zinc/48/40/93/1322484093.db2.gz HZILIFRTYRREQS-QGZVFWFLSA-N 0 3 338.404 3.016 20 5 EGBDHN O=[N+]([O-])c1ccc(NC2CCN([C@@H]3CCOC3)CC2)c(C(F)F)c1 ZINC000865624679 1329721954 /nfs/dbraw/zinc/72/19/54/1329721954.db2.gz OLPLDZJELGXTFQ-CYBMUJFWSA-N 0 3 341.358 3.198 20 5 EGBDHN O=C(CCN[C@H](c1ccccn1)C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000932381344 1329810328 /nfs/dbraw/zinc/81/03/28/1329810328.db2.gz NZIKLZQWHBOKCD-SFHVURJKSA-N 0 3 340.383 3.059 20 5 EGBDHN CC(C)C(=O)N1CCC2(CCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001035158654 1342975895 /nfs/dbraw/zinc/97/58/95/1342975895.db2.gz QYILSXSGAWBZLY-UHFFFAOYSA-N 0 3 345.443 3.065 20 5 EGBDHN CCC[C@H](NCc1c(C)c(C)n[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC001116467242 1370918396 /nfs/dbraw/zinc/91/83/96/1370918396.db2.gz WXZZBHXADMSTLS-INIZCTEOSA-N 0 3 330.388 3.338 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)o1 ZINC001117687689 1371064104 /nfs/dbraw/zinc/06/41/04/1371064104.db2.gz VNTHJTRUSCZXOH-FICVDOATSA-N 0 3 348.786 3.178 20 5 EGBDHN COc1c(O)ccc(CN(C)[C@H]2CC[C@H](SC)C2)c1[N+](=O)[O-] ZINC001120017907 1371457596 /nfs/dbraw/zinc/45/75/96/1371457596.db2.gz JDQQKZXUBDVQQO-RYUDHWBXSA-N 0 3 326.418 3.025 20 5 EGBDHN CC(C)[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC001120467321 1371586117 /nfs/dbraw/zinc/58/61/17/1371586117.db2.gz JKOQQYKKHFHUNI-SFHVURJKSA-N 0 3 342.399 3.305 20 5 EGBDHN CC(=O)c1cc(C)cc([N+](=O)[O-])c1O[C@@H]1CNCc2ccccc21 ZINC001218487221 1373623846 /nfs/dbraw/zinc/62/38/46/1373623846.db2.gz NJOMPSIONPDARG-QGZVFWFLSA-N 0 3 326.352 3.329 20 5 EGBDHN CC(C)CC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001131142179 1373650947 /nfs/dbraw/zinc/65/09/47/1373650947.db2.gz UPXXJQIGNHFMNA-UHFFFAOYSA-N 0 3 333.432 3.017 20 5 EGBDHN CC(C)N1CC[C@@H](Oc2cc([N+](=O)[O-])c(Br)cc2F)C1 ZINC001228942876 1375722883 /nfs/dbraw/zinc/72/28/83/1375722883.db2.gz WXYYRWOALOULEN-SECBINFHSA-N 0 3 347.184 3.358 20 5 EGBDHN Cc1ccnc([N+](=O)[O-])c1O[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC001233553319 1376668916 /nfs/dbraw/zinc/66/89/16/1376668916.db2.gz IOXZIHDUJCEWPS-HOCLYGCPSA-N 0 3 327.384 3.198 20 5 EGBDHN CC(C)[C@H]1CC[C@H](C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CC1 ZINC001135734092 1377196879 /nfs/dbraw/zinc/19/68/79/1377196879.db2.gz MYHFAUSJEQYRFY-QAQDUYKDSA-N 0 3 347.459 3.263 20 5 EGBDHN CCN1CCC(C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)CC1 ZINC001146787018 1378918762 /nfs/dbraw/zinc/91/87/62/1378918762.db2.gz PGWBBRGTWAAQTJ-UHFFFAOYSA-N 0 3 349.434 3.061 20 5 EGBDHN CCN1C[C@@H](C)N(c2ncnc3c(Cl)cc([N+](=O)[O-])cc32)C[C@@H]1C ZINC001327688390 1388583638 /nfs/dbraw/zinc/58/36/38/1388583638.db2.gz PBQVOBOFOORILG-WDEREUQCSA-N 0 3 349.822 3.110 20 5 EGBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1sccc1C1CC1 ZINC001150033945 1379486979 /nfs/dbraw/zinc/48/69/79/1379486979.db2.gz FAIWKIWQSFBAFI-UHFFFAOYSA-N 0 3 345.424 3.053 20 5 EGBDHN CCCCCC(C)(C)C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001151862961 1379802192 /nfs/dbraw/zinc/80/21/92/1379802192.db2.gz AYDHZWJKOOAUEH-UHFFFAOYSA-N 0 3 335.448 3.407 20 5 EGBDHN O=C(C=C1CCCCC1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155324416 1380437125 /nfs/dbraw/zinc/43/71/25/1380437125.db2.gz RLHZYQLAPIZMFC-UHFFFAOYSA-N 0 3 337.445 3.143 20 5 EGBDHN O=[N+]([O-])c1cc([O-])cc(Nc2ccc(O[C@H]3CCC[NH2+]C3)cc2)c1 ZINC001159949487 1381947214 /nfs/dbraw/zinc/94/72/14/1381947214.db2.gz PKLOODBBUIDVOE-KRWDZBQOSA-N 0 3 329.356 3.175 20 5 EGBDHN Cc1nc(NC2CCN(Cc3ccc(O)cc3)CC2)ccc1[N+](=O)[O-] ZINC001161129277 1382312234 /nfs/dbraw/zinc/31/22/34/1382312234.db2.gz BXLVKCOKIDKFOM-UHFFFAOYSA-N 0 3 342.399 3.080 20 5 EGBDHN O=[N+]([O-])c1cccc2c(N[C@@H]3CNCc4ccsc43)ccnc21 ZINC001163229755 1383000183 /nfs/dbraw/zinc/00/01/83/1383000183.db2.gz KYUWRNHAOBEUNW-CYBMUJFWSA-N 0 3 326.381 3.461 20 5 EGBDHN O=[N+]([O-])c1c(N[C@@H]2CNCc3ccsc32)ccc2cnccc21 ZINC001163229993 1383000294 /nfs/dbraw/zinc/00/02/94/1383000294.db2.gz SPVCJXDNVUFREH-CQSZACIVSA-N 0 3 326.381 3.461 20 5 EGBDHN CCC1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CCCC1 ZINC001169861947 1384192672 /nfs/dbraw/zinc/19/26/72/1384192672.db2.gz CKUMLOQHPFVXGH-UHFFFAOYSA-N 0 3 333.432 3.161 20 5 EGBDHN COc1ccc2c(c1)C[C@H](Nc1cc3c(cc1[N+](=O)[O-])CNC3)CC2 ZINC001170412007 1384311447 /nfs/dbraw/zinc/31/14/47/1384311447.db2.gz CJKNGSMLHDSMEH-MRXNPFEDSA-N 0 3 339.395 3.176 20 5 EGBDHN Cc1c(F)cnc(-n2c(-c3ccccc3)cnc2[C@H](C)N)c1[N+](=O)[O-] ZINC001170679962 1384364001 /nfs/dbraw/zinc/36/40/01/1384364001.db2.gz NSCQOEKDWWYYBF-NSHDSACASA-N 0 3 341.346 3.310 20 5 EGBDHN CC[C@H]1CC[C@H](C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001171666979 1384595416 /nfs/dbraw/zinc/59/54/16/1384595416.db2.gz AHKFCRSBFXMPJF-WKILWMFISA-N 0 3 347.459 3.407 20 5 EGBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001171818205 1384649720 /nfs/dbraw/zinc/64/97/20/1384649720.db2.gz ATPUGLUQNRITKY-UHFFFAOYSA-N 0 3 347.802 3.158 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC[C@H](OC)CC2)c1F ZINC001173197355 1384934011 /nfs/dbraw/zinc/93/40/11/1384934011.db2.gz UKCWBFUIOAIKHQ-OLZOCXBDSA-N 0 3 340.395 3.174 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1cc(Br)no1 ZINC001173213282 1384937052 /nfs/dbraw/zinc/93/70/52/1384937052.db2.gz HNODZAKCBIOEAH-VIFPVBQESA-N 0 3 340.177 3.066 20 5 EGBDHN CC(C)COc1cc(CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)ncn1 ZINC001173218126 1384937595 /nfs/dbraw/zinc/93/75/95/1384937595.db2.gz BHLCJLAXSDCGIC-AWEZNQCLSA-N 0 3 344.415 3.140 20 5 EGBDHN Cc1ccc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)c(C)c1 ZINC001175098361 1385194493 /nfs/dbraw/zinc/19/44/93/1385194493.db2.gz PAWKGBUFVZFSOX-UHFFFAOYSA-N 0 3 347.440 3.183 20 5 EGBDHN CC1(C)CCC(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001177161169 1385840366 /nfs/dbraw/zinc/84/03/66/1385840366.db2.gz ZZUFXKMRDUVKTA-UHFFFAOYSA-N 0 3 347.459 3.407 20 5 EGBDHN CCOc1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC001345114348 1390838275 /nfs/dbraw/zinc/83/82/75/1390838275.db2.gz WHYFXRDMIYAIEH-BZNIZROVSA-N 0 3 348.330 3.183 20 5 EGBDHN CC(C)=CC(=O)N[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CC1 ZINC001753579118 1440439887 /nfs/dbraw/zinc/43/98/87/1440439887.db2.gz HRAUPPIXNFRCQT-HDJSIYSDSA-N 0 3 337.445 3.140 20 5 EGBDHN CN(CC(C)(C)CNCc1csc([N+](=O)[O-])c1)C(=O)C1(C)CC1 ZINC001755280280 1440800417 /nfs/dbraw/zinc/80/04/17/1440800417.db2.gz DYQQQVMKRKIMIV-UHFFFAOYSA-N 0 3 339.461 3.031 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000342253473 283240924 /nfs/dbraw/zinc/24/09/24/283240924.db2.gz APKPHCJTCFSODL-UHFFFAOYSA-N 0 3 339.823 3.196 20 5 EGBDHN CC(C)C(=O)NCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000236788535 242357029 /nfs/dbraw/zinc/35/70/29/242357029.db2.gz DYMIOZHLFOSRIV-UHFFFAOYSA-N 0 3 347.440 3.185 20 5 EGBDHN Cc1ccc(CN(C)C)cc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000177345008 207323854 /nfs/dbraw/zinc/32/38/54/207323854.db2.gz ZJQCROGYRANYCG-UHFFFAOYSA-N 0 3 327.384 3.146 20 5 EGBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@@H](c1ccccc1)N(C)C ZINC000187193610 533292951 /nfs/dbraw/zinc/29/29/51/533292951.db2.gz KKLVPDAKKLNHEE-ABAIWWIYSA-N 0 3 333.413 3.078 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1ccccc1Cn1cncn1 ZINC000337818586 141061591 /nfs/dbraw/zinc/06/15/91/141061591.db2.gz QDUXEMRIOMMQPF-UITAMQMPSA-N 0 3 349.394 3.038 20 5 EGBDHN O=[N+]([O-])c1cccc(CCNCc2ccnn2-c2ccc(F)cc2)c1 ZINC000354579666 141309067 /nfs/dbraw/zinc/30/90/67/141309067.db2.gz BDLCCXADRZLJFZ-UHFFFAOYSA-N 0 3 340.358 3.252 20 5 EGBDHN COC(=O)C[C@@H]1CC[C@H](NCc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000354603080 141313696 /nfs/dbraw/zinc/31/36/96/141313696.db2.gz NIXUWBNOLNFGJM-ZETOZRRWSA-N 0 3 340.807 3.316 20 5 EGBDHN COC[C@@H](NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C1CC1 ZINC000121346908 152344297 /nfs/dbraw/zinc/34/42/97/152344297.db2.gz XYFONRFBLFDKST-MRXNPFEDSA-N 0 3 346.383 3.378 20 5 EGBDHN Cc1cnc(N[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000309935130 154139573 /nfs/dbraw/zinc/13/95/73/154139573.db2.gz ALVIZNCDSJRLTJ-INIZCTEOSA-N 0 3 326.400 3.375 20 5 EGBDHN COCCOCCCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000326201224 154182588 /nfs/dbraw/zinc/18/25/88/154182588.db2.gz PKVUUXUVHNLXCW-UHFFFAOYSA-N 0 3 333.388 3.307 20 5 EGBDHN COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2)N(C)C)cc1OC ZINC000339960989 155052892 /nfs/dbraw/zinc/05/28/92/155052892.db2.gz WDSLHIIOLPRPGV-INIZCTEOSA-N 0 3 345.399 3.327 20 5 EGBDHN COCCOC[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093754987 162026091 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CC[C@H](NCCNC(=O)c1cccc(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000360139408 457270370 /nfs/dbraw/zinc/27/03/70/457270370.db2.gz KYCRMCMHQSJOJS-SFHVURJKSA-N 0 3 341.411 3.374 20 5 EGBDHN CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000351531740 457303962 /nfs/dbraw/zinc/30/39/62/457303962.db2.gz KMMRVTFWAUTPOS-UHFFFAOYSA-N 0 3 326.400 3.187 20 5 EGBDHN C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332235629 457333555 /nfs/dbraw/zinc/33/35/55/457333555.db2.gz PXTMFFBJSSMGIA-XIKOKIGWSA-N 0 3 346.431 3.138 20 5 EGBDHN CN(CCc1cnccn1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000357214421 457376510 /nfs/dbraw/zinc/37/65/10/457376510.db2.gz OPLCPZRSRQUEKA-UHFFFAOYSA-N 0 3 338.367 3.319 20 5 EGBDHN CN(C)CCO[C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000342639603 457421204 /nfs/dbraw/zinc/42/12/04/457421204.db2.gz UPISXTBJKXJRSB-LLVKDONJSA-N 0 3 348.230 3.059 20 5 EGBDHN CCC[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000347509735 457475672 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CC[C@@H](N[C@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000358234920 457876703 /nfs/dbraw/zinc/87/67/03/457876703.db2.gz HEXJUQIQFODCLM-FUHWJXTLSA-N 0 3 332.375 3.378 20 5 EGBDHN C[C@H](NCCC(=O)NCC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000411771485 457976544 /nfs/dbraw/zinc/97/65/44/457976544.db2.gz OMWUGXWJOKPZCW-AWEZNQCLSA-N 0 3 333.432 3.332 20 5 EGBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1NCCCN1CCCO[C@H](C)C1 ZINC000444834287 457986024 /nfs/dbraw/zinc/98/60/24/457986024.db2.gz DYNFUJAKALSHAC-CYBMUJFWSA-N 0 3 341.839 3.469 20 5 EGBDHN Cc1ccc(CN2CCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000427491770 457993918 /nfs/dbraw/zinc/99/39/18/457993918.db2.gz ADMAFTWJBVBLPJ-UHFFFAOYSA-N 0 3 342.399 3.090 20 5 EGBDHN COc1ccc(C(=O)Nc2ccc(CN(C)C)c(C)c2)cc1[N+](=O)[O-] ZINC000458327279 458015253 /nfs/dbraw/zinc/01/52/53/458015253.db2.gz VPOBJZNMNNKIFJ-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN CCc1ccccc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000445810983 458090983 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O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](CO)c1ccc(F)cc1 ZINC000566475029 458944408 /nfs/dbraw/zinc/94/44/08/458944408.db2.gz ITVQNCTUVRBFAV-DYVFJYSZSA-N 0 3 330.359 3.087 20 5 EGBDHN COC[C@H](Cc1ccccc1)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000475748701 458963162 /nfs/dbraw/zinc/96/31/62/458963162.db2.gz ODIRAVWJCYTKMO-KRWDZBQOSA-N 0 3 344.411 3.163 20 5 EGBDHN CCC[C@H](NC[C@H](O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000531944107 459004541 /nfs/dbraw/zinc/00/45/41/459004541.db2.gz RDEWBGKQAUVSPB-HKUYNNGSSA-N 0 3 344.411 3.466 20 5 EGBDHN CCN(Cc1ccc(C)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000519918073 459021567 /nfs/dbraw/zinc/02/15/67/459021567.db2.gz AEMVWEZETZHJQI-SFHVURJKSA-N 0 3 344.411 3.165 20 5 EGBDHN O=[N+]([O-])c1ccc(CN[C@H]2CC[C@](O)(C(F)(F)F)C2)c(Cl)c1 ZINC000589938153 459053682 /nfs/dbraw/zinc/05/36/82/459053682.db2.gz GOGZODPJAFIQFU-JOYOIKCWSA-N 0 3 338.713 3.184 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1Cc2ccccc2O1 ZINC000595003373 459211764 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EGBDHN O=c1[n-]ccc(NCC2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000596090372 459516264 /nfs/dbraw/zinc/51/62/64/459516264.db2.gz CUDDVSWWBJQELU-UHFFFAOYSA-N 0 3 342.399 3.020 20 5 EGBDHN C[C@@H](C(=O)N(CCN(C)C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562300282 459533664 /nfs/dbraw/zinc/53/36/64/459533664.db2.gz AQEFJNBTPCTVHP-CQSZACIVSA-N 0 3 333.432 3.031 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCOC2(CCOCC2)CC1 ZINC000526061840 459541671 /nfs/dbraw/zinc/54/16/71/459541671.db2.gz BWFGEBCYSHUFOY-SSZFMOIBSA-N 0 3 346.427 3.270 20 5 EGBDHN CCCN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CCN(C)C1 ZINC000592252207 459560365 /nfs/dbraw/zinc/56/03/65/459560365.db2.gz XZTJNSWLRKPUAI-CQSZACIVSA-N 0 3 334.420 3.160 20 5 EGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000598261938 459841905 /nfs/dbraw/zinc/84/19/05/459841905.db2.gz JAZANKYMZUWJGV-GFCCVEGCSA-N 0 3 339.823 3.098 20 5 EGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000598266491 459844171 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COC1CCN(C2(CNc3sccc3[N+](=O)[O-])CCCC2)CC1 ZINC000611412584 460359389 /nfs/dbraw/zinc/35/93/89/460359389.db2.gz HWCAYBXCQWUORG-UHFFFAOYSA-N 0 3 339.461 3.492 20 5 EGBDHN COc1cc(C(=O)Nc2ccccc2CN(C)C)cc([N+](=O)[O-])c1C ZINC000616225507 460504488 /nfs/dbraw/zinc/50/44/88/460504488.db2.gz OKWCSXQNOIZPOU-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN O=[N+]([O-])c1ccc2c(cnn2CN2CC[C@H](Cc3ccccc3)C2)c1 ZINC000742152782 576752365 /nfs/dbraw/zinc/75/23/65/576752365.db2.gz MGJSBWPQZOMJQI-MRXNPFEDSA-N 0 3 336.395 3.467 20 5 EGBDHN CCCN(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1 ZINC000831067828 1292804405 /nfs/dbraw/zinc/80/44/05/1292804405.db2.gz FREPCWBATAZOET-LBPRGKRZSA-N 0 3 340.811 3.196 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ncn(CN3CCC[C@H]3C3CCC3)n2)c1 ZINC000102885708 1292984429 /nfs/dbraw/zinc/98/44/29/1292984429.db2.gz DFRPFPPZAPDHSG-INIZCTEOSA-N 0 3 327.388 3.075 20 5 EGBDHN CC(=O)N(C)c1ccc(CNCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873142416 1297296361 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340.807 3.460 20 5 EGBDHN Cc1ccc(C)n1C1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776582036 1304174630 /nfs/dbraw/zinc/17/46/30/1304174630.db2.gz OSOXPQDCSMQQJW-IBGZPJMESA-N 0 3 343.427 3.384 20 5 EGBDHN Cc1ccc(C)n1C1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776582037 1304175281 /nfs/dbraw/zinc/17/52/81/1304175281.db2.gz OSOXPQDCSMQQJW-LJQANCHMSA-N 0 3 343.427 3.384 20 5 EGBDHN CN(C)Cc1ccccc1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778234106 1304425167 /nfs/dbraw/zinc/42/51/67/1304425167.db2.gz JZBFBOWFZBZAFD-UHFFFAOYSA-N 0 3 349.337 3.387 20 5 EGBDHN CCS[C@H]1CC[C@H](N(C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892197576 1305278972 /nfs/dbraw/zinc/27/89/72/1305278972.db2.gz RPVMUIABRIBASV-STQMWFEESA-N 0 3 340.445 3.415 20 5 EGBDHN COc1c(O)ccc(CNC[C@H](C)Oc2ccccc2C)c1[N+](=O)[O-] ZINC000893060392 1305684276 /nfs/dbraw/zinc/68/42/76/1305684276.db2.gz KLUMGWLGOXWIOS-ZDUSSCGKSA-N 0 3 346.383 3.175 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]C[C@H](SC)C(C)(C)C)c1[N+](=O)[O-] 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BVYMBAKYMALZOY-STQMWFEESA-N 0 3 343.387 3.377 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCc1ccc(CCO)cc1)CCC2 ZINC000903402698 1317696692 /nfs/dbraw/zinc/69/66/92/1317696692.db2.gz GJWWLMRLVHNFIE-LJQANCHMSA-N 0 3 326.396 3.297 20 5 EGBDHN CCOc1ccc([C@@H](C)NCc2ccc(CCO)cc2)cc1[N+](=O)[O-] ZINC000903402942 1317697130 /nfs/dbraw/zinc/69/71/30/1317697130.db2.gz JCHRSBYZDLFUSJ-CQSZACIVSA-N 0 3 344.411 3.379 20 5 EGBDHN CC(COC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000813103548 1318499317 /nfs/dbraw/zinc/49/93/17/1318499317.db2.gz QGWPZGRSQLLWKE-LLVKDONJSA-N 0 3 345.311 3.160 20 5 EGBDHN Cc1c2cc(Br)ccc2oc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813104542 1318499891 /nfs/dbraw/zinc/49/98/91/1318499891.db2.gz OHPILONHELETOX-SSDOTTSWSA-N 0 3 342.145 3.326 20 5 EGBDHN CC(COC(=O)c1cc(-c2ccncc2)nc2ccccc21)[N+](=O)[O-] ZINC000813115395 1318502888 /nfs/dbraw/zinc/50/28/88/1318502888.db2.gz QVTNUJLINZUVOY-GFCCVEGCSA-N 0 3 337.335 3.119 20 5 EGBDHN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000815579621 1319019495 /nfs/dbraw/zinc/01/94/95/1319019495.db2.gz RDDSZONEIDFEOF-ZJUUUORDSA-N 0 3 341.371 3.171 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCCOc3ccccc32)c1 ZINC000818993596 1319609308 /nfs/dbraw/zinc/60/93/08/1319609308.db2.gz KLSYFMLKPBORFV-DLBZAZTESA-N 0 3 328.368 3.132 20 5 EGBDHN CSc1cc(C)ccc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819148617 1319648924 /nfs/dbraw/zinc/64/89/24/1319648924.db2.gz BOUCEFCGIZKFJD-MRXNPFEDSA-N 0 3 332.425 3.448 20 5 EGBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000822517452 1320093708 /nfs/dbraw/zinc/09/37/08/1320093708.db2.gz XSXOZBIOFKKYEU-QIBOZCLASA-N 0 3 326.396 3.448 20 5 EGBDHN CC(C)(CCC(=O)N[C@@H](CN1CCCCC1)c1ccccc1)[N+](=O)[O-] ZINC000823046149 1320149350 /nfs/dbraw/zinc/14/93/50/1320149350.db2.gz UFULBBLZYJRKHS-KRWDZBQOSA-N 0 3 347.459 3.165 20 5 EGBDHN C[C@@H]1C[C@@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2nccn21 ZINC000825017601 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335.335 3.166 20 5 EGBDHN CC(C)c1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n(C)n1 ZINC000845881126 1321750564 /nfs/dbraw/zinc/75/05/64/1321750564.db2.gz YCXDPGHOOMDXIY-BDJLRTHQSA-N 0 3 349.362 3.246 20 5 EGBDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850354883 1322232286 /nfs/dbraw/zinc/23/22/86/1322232286.db2.gz BVSSMXILIFXDGX-SMSPXONGSA-N 0 3 330.837 3.028 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](O)c1ccc(C)cc1 ZINC000850425479 1322246751 /nfs/dbraw/zinc/24/67/51/1322246751.db2.gz MLRRFRVYSUHMOR-GUYCJALGSA-N 0 3 330.384 3.296 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)c1ccccc1C ZINC000850434713 1322248740 /nfs/dbraw/zinc/24/87/40/1322248740.db2.gz WXWMSRCSUDNJBQ-CXAGYDPISA-N 0 3 330.384 3.296 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000932273011 1329802543 /nfs/dbraw/zinc/80/25/43/1329802543.db2.gz OTRSTJPDOXNTAW-CQSZACIVSA-N 0 3 349.456 3.017 20 5 EGBDHN CCCC(=O)N1CCC2(CCN(Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001035148524 1342960843 /nfs/dbraw/zinc/96/08/43/1342960843.db2.gz LLYVGDZOITVSFC-UHFFFAOYSA-N 0 3 345.443 3.209 20 5 EGBDHN CCCC(=O)N1CCC2(C1)CCN(Cc1cccc([N+](=O)[O-])c1)CC2 ZINC001040577152 1345548719 /nfs/dbraw/zinc/54/87/19/1345548719.db2.gz QKGDDFHSWKULAP-UHFFFAOYSA-N 0 3 345.443 3.209 20 5 EGBDHN C[NH+](C)CCCOc1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201222370 1369498631 /nfs/dbraw/zinc/49/86/31/1369498631.db2.gz LVVSNJKXVXYHSO-UHFFFAOYSA-N 0 3 331.372 3.375 20 5 EGBDHN C/C=C(\C)C(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001115473019 1370478930 /nfs/dbraw/zinc/47/89/30/1370478930.db2.gz KPZWUOGOZBYLDK-CRKCGEKBSA-N 0 3 345.443 3.470 20 5 EGBDHN C[C@@H](CC(=O)OC(C)(C)C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001116584403 1370940983 /nfs/dbraw/zinc/94/09/83/1370940983.db2.gz KVDCHDVEOPHUCT-JTQLQIEISA-N 0 3 328.796 3.458 20 5 EGBDHN CCN1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001123353718 1372439616 /nfs/dbraw/zinc/43/96/16/1372439616.db2.gz FVOZBRIFZZIWOT-UHFFFAOYSA-N 0 3 342.399 3.308 20 5 EGBDHN Cc1ccc(Nc2ccc(CN3CCN(C)CC3)cc2)c([N+](=O)[O-])c1 ZINC001214172067 1373018785 /nfs/dbraw/zinc/01/87/85/1373018785.db2.gz RILBEWQGKXLIQM-UHFFFAOYSA-N 0 3 340.427 3.394 20 5 EGBDHN O=c1c2ccccc2oc2cc(O[C@@H]3CNCCC3(F)F)ccc12 ZINC001218449612 1373615228 /nfs/dbraw/zinc/61/52/28/1373615228.db2.gz USJBIMZMNMEURR-MRXNPFEDSA-N 0 3 331.318 3.322 20 5 EGBDHN CC(C)N1CCC[C@@H](Oc2ncc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001225847728 1375164017 /nfs/dbraw/zinc/16/40/17/1375164017.db2.gz SSQUMYMOHGGLOP-LLVKDONJSA-N 0 3 333.310 3.260 20 5 EGBDHN O=[N+]([O-])c1ccc(Br)c(OC2CCN(C3CC3)CC2)c1 ZINC001226583438 1375286052 /nfs/dbraw/zinc/28/60/52/1375286052.db2.gz XCKJLUZJLGDHTF-UHFFFAOYSA-N 0 3 341.205 3.363 20 5 EGBDHN CCOC(=O)c1ccc(O[C@H]2CCCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC001227296862 1375417528 /nfs/dbraw/zinc/41/75/28/1375417528.db2.gz GZCVFOWTYHESAX-AWEZNQCLSA-N 0 3 336.388 3.023 20 5 EGBDHN O=C(CCC1CCCC1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154273364 1380244209 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Cc1ccc([C@H](C)NCCOCC(F)(F)C(F)F)cc1[N+](=O)[O-] ZINC000189861870 237327294 /nfs/dbraw/zinc/32/72/94/237327294.db2.gz GIGJRFROJVNVKW-JTQLQIEISA-N 0 3 338.301 3.471 20 5 EGBDHN C[C@@H](c1cccnc1)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129530950 223066329 /nfs/dbraw/zinc/06/63/29/223066329.db2.gz SGRPIIXXILXSBO-LBPRGKRZSA-N 0 3 346.362 3.151 20 5 EGBDHN C[C@@H](N[C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000123010133 296150610 /nfs/dbraw/zinc/15/06/10/296150610.db2.gz SAIMTKAIMAITFH-NWDGAFQWSA-N 0 3 328.372 3.497 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000111176505 220105193 /nfs/dbraw/zinc/10/51/93/220105193.db2.gz UPQBXQLHXGYSLK-INIZCTEOSA-N 0 3 326.400 3.375 20 5 EGBDHN COc1ccc(CN2CCC[C@H](C[C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000378401831 169115397 /nfs/dbraw/zinc/11/53/97/169115397.db2.gz LDZNQGBJBHABIU-GDBMZVCRSA-N 0 3 334.416 3.242 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000091937802 218092433 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CN(C)[C@@]1(CNc2ccc([N+](=O)[O-])cc2OC(F)F)CCSC1 ZINC000354567459 141307793 /nfs/dbraw/zinc/30/77/93/141307793.db2.gz FMPFHQIHWZLOMR-CQSZACIVSA-N 0 3 347.387 3.045 20 5 EGBDHN CC[C@H]1CCCCN1CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172153922 144016361 /nfs/dbraw/zinc/01/63/61/144016361.db2.gz ZSBWCGRTAILLON-HOCLYGCPSA-N 0 3 348.447 3.220 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H]2Cc2ccccc2Cl)c1 ZINC000172722840 144026329 /nfs/dbraw/zinc/02/63/29/144026329.db2.gz GXHNZIZYMQHXQC-AWEZNQCLSA-N 0 3 334.807 3.152 20 5 EGBDHN COc1cccc(NC[C@@H](c2cccc(F)c2)N(C)C)c1[N+](=O)[O-] ZINC000185102297 144104626 /nfs/dbraw/zinc/10/46/26/144104626.db2.gz BIWKTETZYBFQQA-HNNXBMFYSA-N 0 3 333.363 3.457 20 5 EGBDHN CN(C)C1(CN(C)C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000186993490 144149796 /nfs/dbraw/zinc/14/97/96/144149796.db2.gz ZHHNUMIZPCWBOR-UHFFFAOYSA-N 0 3 347.459 3.449 20 5 EGBDHN COC(=O)CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])CC(C)C ZINC000341486801 155320620 /nfs/dbraw/zinc/32/06/20/155320620.db2.gz XAZMKHASVICWPJ-UHFFFAOYSA-N 0 3 328.796 3.269 20 5 EGBDHN CN(c1ccccc1)c1ccc(CNC(C)(C)CO)cc1[N+](=O)[O-] ZINC000116341448 152057167 /nfs/dbraw/zinc/05/71/67/152057167.db2.gz FSBUTHXEUQFNKW-UHFFFAOYSA-N 0 3 329.400 3.223 20 5 EGBDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000120610054 152287860 /nfs/dbraw/zinc/28/78/60/152287860.db2.gz FIISCPALIWSKEE-LBPRGKRZSA-N 0 3 332.356 3.096 20 5 EGBDHN O=[N+]([O-])c1cccc(CCNCc2cncc(Br)c2)c1 ZINC000341559800 155353900 /nfs/dbraw/zinc/35/39/00/155353900.db2.gz PUHBGEOSYMEXNP-UHFFFAOYSA-N 0 3 336.189 3.085 20 5 EGBDHN Cc1ccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000303485321 154045144 /nfs/dbraw/zinc/04/51/44/154045144.db2.gz PDMCEFZRQMZIDB-OAHLLOKOSA-N 0 3 341.411 3.154 20 5 EGBDHN Cc1ccc2c(c1)CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000337480239 154374245 /nfs/dbraw/zinc/37/42/45/154374245.db2.gz VHHJKMMBJBSSCQ-UHFFFAOYSA-N 0 3 339.395 3.290 20 5 EGBDHN Cc1ccc(CN[C@@H](C)c2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000125162689 162264374 /nfs/dbraw/zinc/26/43/74/162264374.db2.gz FXAJBDLPKDELEA-LBPRGKRZSA-N 0 3 328.372 3.245 20 5 EGBDHN CCN(CCC(=O)OC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000130497991 162370886 /nfs/dbraw/zinc/37/08/86/162370886.db2.gz YLQLEURHVHTNJA-UHFFFAOYSA-N 0 3 332.356 3.240 20 5 EGBDHN C[C@@H]1CN(CCCCNc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000342501146 163895737 /nfs/dbraw/zinc/89/57/37/163895737.db2.gz AFAHKYLPKLRUFB-CHWSQXEVSA-N 0 3 325.384 3.035 20 5 EGBDHN C[C@@H]1[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCCN1C ZINC000344318298 164155122 /nfs/dbraw/zinc/15/51/22/164155122.db2.gz AMCHKVKSDLLHSD-CXAGYDPISA-N 0 3 329.400 3.427 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@H](CCO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000344531845 164187460 /nfs/dbraw/zinc/18/74/60/164187460.db2.gz FQMQWFXTXCHOAA-MRXNPFEDSA-N 0 3 348.399 3.360 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCN3CC=CCC3)o2)cc1 ZINC000355529925 166232970 /nfs/dbraw/zinc/23/29/70/166232970.db2.gz IXEBRGCZDQANOO-UHFFFAOYSA-N 0 3 327.384 3.206 20 5 EGBDHN Cn1cnc([N+](=O)[O-])c1CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000367540319 168238947 /nfs/dbraw/zinc/23/89/47/168238947.db2.gz KOKPPEJIDIRWRJ-ARFHVFGLSA-N 0 3 326.400 3.096 20 5 EGBDHN Cc1ccc(NC(=O)N(CCN(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000176399245 265176469 /nfs/dbraw/zinc/17/64/69/265176469.db2.gz JXVXFQZBUNCCGL-UHFFFAOYSA-N 0 3 334.420 3.241 20 5 EGBDHN CC(C)N(CCN(C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178594983 265326809 /nfs/dbraw/zinc/32/68/09/265326809.db2.gz JRMUGPZVBNAQHM-UHFFFAOYSA-N 0 3 335.429 3.222 20 5 EGBDHN CCC1(CC)[C@@H](NCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1OC ZINC000191369909 265901618 /nfs/dbraw/zinc/90/16/18/265901618.db2.gz VZGSVWGYILBBHL-HOTGVXAUSA-N 0 3 349.431 3.025 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000269643080 266332293 /nfs/dbraw/zinc/33/22/93/266332293.db2.gz JUASXUHSMLDXHD-MAUKXSAKSA-N 0 3 330.359 3.257 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC000269673349 266339808 /nfs/dbraw/zinc/33/98/08/266339808.db2.gz VKQSKYKFBHCYLO-YJBOKZPZSA-N 0 3 330.359 3.257 20 5 EGBDHN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000185939933 274242556 /nfs/dbraw/zinc/24/25/56/274242556.db2.gz QKUVTSZSLCSBCJ-CXAGYDPISA-N 0 3 342.399 3.408 20 5 EGBDHN O=[N+]([O-])c1cccnc1N1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000286441483 276001234 /nfs/dbraw/zinc/00/12/34/276001234.db2.gz SPVNHKHTEUGUII-IBGZPJMESA-N 0 3 338.411 3.092 20 5 EGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000344695449 277041538 /nfs/dbraw/zinc/04/15/38/277041538.db2.gz GCOBIKIPVVXTPX-MRXNPFEDSA-N 0 3 345.399 3.191 20 5 EGBDHN CCN(CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000338437862 279205526 /nfs/dbraw/zinc/20/55/26/279205526.db2.gz RKDDRJAFLJRIBT-UHFFFAOYSA-N 0 3 333.432 3.106 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCN(C)Cc1ccccc1 ZINC000054349107 307337874 /nfs/dbraw/zinc/33/78/74/307337874.db2.gz RHLKFDGBDOHZOJ-UHFFFAOYSA-N 0 3 342.399 3.157 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CCCC[C@@H]2O)o1 ZINC000077465200 307412397 /nfs/dbraw/zinc/41/23/97/307412397.db2.gz KTXLLELDUKZRSV-DYVFJYSZSA-N 0 3 330.384 3.496 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000125806502 307559861 /nfs/dbraw/zinc/55/98/61/307559861.db2.gz FJRNVPALXRCWQX-VXGBXAGGSA-N 0 3 331.338 3.190 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@@H](CO)c1ccc(F)cc1)CCC2 ZINC000414305879 309071829 /nfs/dbraw/zinc/07/18/29/309071829.db2.gz YVOGIMQFJCISHA-KXBFYZLASA-N 0 3 344.386 3.477 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(C(=O)N(C)C)CCCC1 ZINC000165106799 307929013 /nfs/dbraw/zinc/92/90/13/307929013.db2.gz VZJQJNJAWYOFEY-CQSZACIVSA-N 0 3 333.432 3.202 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000246855621 307984419 /nfs/dbraw/zinc/98/44/19/307984419.db2.gz CIJBUPIBLZTBBR-AJNGGQMLSA-N 0 3 333.432 3.342 20 5 EGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000248771938 308011227 /nfs/dbraw/zinc/01/12/27/308011227.db2.gz HIAKBUWFJMTJSF-WBVHZDCISA-N 0 3 347.459 3.012 20 5 EGBDHN C[C@@H](NC[C@]1(C)OCCc2sccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294415144 308218986 /nfs/dbraw/zinc/21/89/86/308218986.db2.gz UAZRUBBUKKVJOI-DIFFPNOSSA-N 0 3 347.440 3.377 20 5 EGBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000294681398 308245386 /nfs/dbraw/zinc/24/53/86/308245386.db2.gz BPKGVXIUUXXLOP-UKRRQHHQSA-N 0 3 341.415 3.091 20 5 EGBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1NCc1nnc(C2CC2)[nH]1 ZINC000294681398 308245387 /nfs/dbraw/zinc/24/53/87/308245387.db2.gz BPKGVXIUUXXLOP-UKRRQHHQSA-N 0 3 341.415 3.091 20 5 EGBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000294681396 308245446 /nfs/dbraw/zinc/24/54/46/308245446.db2.gz BPKGVXIUUXXLOP-HIFRSBDPSA-N 0 3 341.415 3.091 20 5 EGBDHN O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1NCc1nnc(C2CC2)[nH]1 ZINC000294681396 308245447 /nfs/dbraw/zinc/24/54/47/308245447.db2.gz BPKGVXIUUXXLOP-HIFRSBDPSA-N 0 3 341.415 3.091 20 5 EGBDHN CCCN1CCC(N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000299240580 308667280 /nfs/dbraw/zinc/66/72/80/308667280.db2.gz KHTQKUUILFIJRD-UHFFFAOYSA-N 0 3 345.399 3.287 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000324180307 308769008 /nfs/dbraw/zinc/76/90/08/308769008.db2.gz PQKTZUGWUGTDDX-HIFRSBDPSA-N 0 3 328.368 3.394 20 5 EGBDHN C[C@H](NC(=O)Nc1ccc2c(c1)CNCC2)c1ccc([N+](=O)[O-])cc1 ZINC000415903664 309147225 /nfs/dbraw/zinc/14/72/25/309147225.db2.gz XAXORNDIFFKIAH-LBPRGKRZSA-N 0 3 340.383 3.123 20 5 EGBDHN CCc1ccccc1[C@@H](N)CNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000420264768 309278550 /nfs/dbraw/zinc/27/85/50/309278550.db2.gz BHNKWIQVASMYRF-INIZCTEOSA-N 0 3 327.384 3.472 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000421436816 309324552 /nfs/dbraw/zinc/32/45/52/309324552.db2.gz XEPKTQMDFUWKSQ-GJZGRUSLSA-N 0 3 333.432 3.204 20 5 EGBDHN CCc1ccccc1[C@@H](N)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000423935417 309421115 /nfs/dbraw/zinc/42/11/15/309421115.db2.gz ALANNZBFLATTCQ-KRWDZBQOSA-N 0 3 341.411 3.204 20 5 EGBDHN Cc1cc(CN)cc(NC(=O)N(C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000424429378 309443363 /nfs/dbraw/zinc/44/33/63/309443363.db2.gz WVQQCIKKNPQPIN-UHFFFAOYSA-N 0 3 342.399 3.068 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1CN1CCN(C2CCCCC2)CC1 ZINC000430217948 309601953 /nfs/dbraw/zinc/60/19/53/309601953.db2.gz METUZKLFWDPSPV-UHFFFAOYSA-N 0 3 333.432 3.054 20 5 EGBDHN CC[C@H](CO)N(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000449376741 310057557 /nfs/dbraw/zinc/05/75/57/310057557.db2.gz OXIMBPBDXOZHTP-GFCCVEGCSA-N 0 3 334.372 3.066 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCOC2(CCC2)C1 ZINC000449475928 310065245 /nfs/dbraw/zinc/06/52/45/310065245.db2.gz LYWFJBGZUJXWQN-CQSZACIVSA-N 0 3 334.416 3.432 20 5 EGBDHN COC(=O)C(C)(C)CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449494665 310066679 /nfs/dbraw/zinc/06/66/79/310066679.db2.gz BBNWNGYFJZEQCD-HNNXBMFYSA-N 0 3 334.416 3.364 20 5 EGBDHN C[C@H](Cc1cnn(C)c1)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449593528 310074544 /nfs/dbraw/zinc/07/45/44/310074544.db2.gz ZYLKYKAHOSOIBY-CYBMUJFWSA-N 0 3 340.383 3.309 20 5 EGBDHN C[C@@H]1C[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCN1C ZINC000450353678 310117417 /nfs/dbraw/zinc/11/74/17/310117417.db2.gz GFWRUIPZQPMOSR-DGCLKSJQSA-N 0 3 332.429 3.035 20 5 EGBDHN CN1CC[C@@]2(CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)C2)C1 ZINC000450539505 310128788 /nfs/dbraw/zinc/12/87/88/310128788.db2.gz KHTVPFFRRPTPNG-QGZVFWFLSA-N 0 3 344.440 3.250 20 5 EGBDHN COc1ccc(NC(=O)[C@@H](C)N[C@@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451451707 310179009 /nfs/dbraw/zinc/17/90/09/310179009.db2.gz BFRMBBRLWVKBIL-MLGOLLRUSA-N 0 3 347.415 3.243 20 5 EGBDHN COc1cc(CN[C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000451498551 310181327 /nfs/dbraw/zinc/18/13/27/310181327.db2.gz WMXQJKQHMNCDMM-GDBMZVCRSA-N 0 3 326.368 3.036 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451607603 310188950 /nfs/dbraw/zinc/18/89/50/310188950.db2.gz MZZCOWQLNZLUMG-HKUYNNGSSA-N 0 3 348.443 3.269 20 5 EGBDHN CCO[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000452039109 310208868 /nfs/dbraw/zinc/20/88/68/310208868.db2.gz ZOMASLATEQCTIL-YSVLISHTSA-N 0 3 349.431 3.168 20 5 EGBDHN CC(C)[C@H]1N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCCC2 ZINC000453039663 310253859 /nfs/dbraw/zinc/25/38/59/310253859.db2.gz OSDMJTKQGUPPHJ-CRAIPNDOSA-N 0 3 348.443 3.235 20 5 EGBDHN COc1ccc2c(c1)OC[C@H](NCc1cccc([N+](=O)[O-])c1C)C2 ZINC000453217006 310264700 /nfs/dbraw/zinc/26/47/00/310264700.db2.gz RDLGZSMOZVLBQX-OAHLLOKOSA-N 0 3 328.368 3.005 20 5 EGBDHN Cc1ccc(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)nc1C ZINC000459663104 310567220 /nfs/dbraw/zinc/56/72/20/310567220.db2.gz HYPWDEZCJBRVTA-CYBMUJFWSA-N 0 3 342.399 3.114 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccccc1OCCO ZINC000468637085 310691234 /nfs/dbraw/zinc/69/12/34/310691234.db2.gz GLWGFWFDZHIAMK-PTNGSMBKSA-N 0 3 342.395 3.159 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC(=O)N(C)C1CCCCC1 ZINC000468740320 310692674 /nfs/dbraw/zinc/69/26/74/310692674.db2.gz WFVBQYORYAQYMO-RVDMUPIBSA-N 0 3 345.443 3.379 20 5 EGBDHN COc1ccc2c(c1)OC[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000504387619 312005116 /nfs/dbraw/zinc/00/51/16/312005116.db2.gz KOIVCYZAORAFMJ-IUODEOHRSA-N 0 3 328.368 3.258 20 5 EGBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](COc2ccccc2)C1 ZINC000505880839 312037605 /nfs/dbraw/zinc/03/76/05/312037605.db2.gz ZANJIEUKGULZFQ-MRXNPFEDSA-N 0 3 342.395 3.375 20 5 EGBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1=CCN(C)CC1 ZINC000511378389 312159008 /nfs/dbraw/zinc/15/90/08/312159008.db2.gz MDPUWZKTYSTRMP-CQSZACIVSA-N 0 3 338.411 3.141 20 5 EGBDHN O=[N+]([O-])c1cccc(N2CCN(c3ccnc4ccccc43)CC2)c1 ZINC000518372748 312414394 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COc1c(C)cnc(CN(C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000549172167 315079605 /nfs/dbraw/zinc/07/96/05/315079605.db2.gz RYIZASNNBGKNER-UHFFFAOYSA-N 0 3 329.400 3.290 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCOC[C@@H]1CCCO1)CCCC2 ZINC000563570008 316039976 /nfs/dbraw/zinc/03/99/76/316039976.db2.gz ZQNTZGKGXLRRIF-FUHWJXTLSA-N 0 3 334.416 3.148 20 5 EGBDHN Cc1ccccc1C[C@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000570744652 317101036 /nfs/dbraw/zinc/10/10/36/317101036.db2.gz NTDIFHUYFBUITE-NVXWUHKLSA-N 0 3 328.412 3.466 20 5 EGBDHN C[C@@H](NCCNC(=O)CC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178652447 323359559 /nfs/dbraw/zinc/35/95/59/323359559.db2.gz GQXOWITUXPCZTM-CQSZACIVSA-N 0 3 333.432 3.332 20 5 EGBDHN CO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000579951315 325181403 /nfs/dbraw/zinc/18/14/03/325181403.db2.gz CKYHSJQXIZGNNN-UXIGCNINSA-N 0 3 348.424 3.388 20 5 EGBDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000583034518 325490035 /nfs/dbraw/zinc/49/00/35/325490035.db2.gz MQSMULKTRCQOCD-SOVGHPHASA-N 0 3 326.396 3.164 20 5 EGBDHN O=C1NCCCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000238087775 455252623 /nfs/dbraw/zinc/25/26/23/455252623.db2.gz GDXFOUWQGFJBEG-HNNXBMFYSA-N 0 3 345.424 3.082 20 5 EGBDHN O=[N+]([O-])c1cc(CN2CC[C@@H]3CCCC[C@@H]3C2)c2c(c1)COCO2 ZINC000016694698 453619182 /nfs/dbraw/zinc/61/91/82/453619182.db2.gz OWNFGBDPRXJRJZ-UONOGXRCSA-N 0 3 332.400 3.473 20 5 EGBDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000029177276 453827060 /nfs/dbraw/zinc/82/70/60/453827060.db2.gz FTMMDPPGRTZJHY-GOSISDBHSA-N 0 3 339.395 3.162 20 5 EGBDHN O=C(CN(C1CC1)C1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000052664797 453841875 /nfs/dbraw/zinc/84/18/75/453841875.db2.gz VQEALUKLJUXNOC-UHFFFAOYSA-N 0 3 343.427 3.281 20 5 EGBDHN CC(C)(C)OC(=O)NC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052926544 453849332 /nfs/dbraw/zinc/84/93/32/453849332.db2.gz REZXDVHOMCIMTG-UHFFFAOYSA-N 0 3 349.431 3.126 20 5 EGBDHN Cc1ccc(NC(=O)NC[C@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000075954905 453941545 /nfs/dbraw/zinc/94/15/45/453941545.db2.gz NCUOLGLVBFQKLW-QGZVFWFLSA-N 0 3 342.399 3.328 20 5 EGBDHN CN1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000068045523 453990868 /nfs/dbraw/zinc/99/08/68/453990868.db2.gz KHKYVLISRSQLAA-UHFFFAOYSA-N 0 3 337.729 3.409 20 5 EGBDHN Cc1c(NC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000043346165 454057507 /nfs/dbraw/zinc/05/75/07/454057507.db2.gz TWPLLDHTDAOPTH-QWHCGFSZSA-N 0 3 334.420 3.145 20 5 EGBDHN COCCOc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000089513303 454157889 /nfs/dbraw/zinc/15/78/89/454157889.db2.gz YMIFXPNNSDMFCM-CQSZACIVSA-N 0 3 330.384 3.471 20 5 EGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000089580953 454163241 /nfs/dbraw/zinc/16/32/41/454163241.db2.gz HCSMOKUQFGUNCU-OZAJXLCCSA-N 0 3 348.424 3.062 20 5 EGBDHN Cc1c([C@@H](C)NCCCN2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000119917545 454235482 /nfs/dbraw/zinc/23/54/82/454235482.db2.gz DRFVMXBQJXHBTQ-IJEWVQPXSA-N 0 3 335.448 3.053 20 5 EGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1 ZINC000058919403 454243667 /nfs/dbraw/zinc/24/36/67/454243667.db2.gz ZBDQRGPKXVMDEO-CYBMUJFWSA-N 0 3 349.456 3.017 20 5 EGBDHN CC[C@H](CO)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000078409695 454248300 /nfs/dbraw/zinc/24/83/00/454248300.db2.gz NCICYWWVAYLOKA-OAHLLOKOSA-N 0 3 329.400 3.223 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000078506283 454266634 /nfs/dbraw/zinc/26/66/34/454266634.db2.gz UICZRGKOWLNFFA-MRXNPFEDSA-N 0 3 326.400 3.009 20 5 EGBDHN COc1ccc(NC(=O)CN(C)[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000078529092 454270138 /nfs/dbraw/zinc/27/01/38/454270138.db2.gz NOZQAGBZMBJIOP-QWHCGFSZSA-N 0 3 335.404 3.052 20 5 EGBDHN Cc1cnc(N2CCCN(Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000078667284 454294634 /nfs/dbraw/zinc/29/46/34/454294634.db2.gz QUJNFEPUIHXFJR-INIZCTEOSA-N 0 3 340.427 3.399 20 5 EGBDHN Cc1ccnc(N2CC[C@H](C)N(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000078689439 454300412 /nfs/dbraw/zinc/30/04/12/454300412.db2.gz WNOSBEDYMSGASU-INIZCTEOSA-N 0 3 340.427 3.399 20 5 EGBDHN Cc1c([C@H](C)N[C@H]2CCN(c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000090801580 454341983 /nfs/dbraw/zinc/34/19/83/454341983.db2.gz NTUFUASFEQEMFR-GJZGRUSLSA-N 0 3 326.400 3.228 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N[C@@H]1CCCC1(C)C ZINC000097105558 454408159 /nfs/dbraw/zinc/40/81/59/454408159.db2.gz BBOOETYAHNXYAT-XHDPSFHLSA-N 0 3 335.404 3.099 20 5 EGBDHN Cc1c(NC(=O)CCN2CCC[C@@H]2c2ccc[nH]2)cccc1[N+](=O)[O-] ZINC000063507406 454420437 /nfs/dbraw/zinc/42/04/37/454420437.db2.gz KOLWUHPJNBYHIL-QGZVFWFLSA-N 0 3 342.399 3.397 20 5 EGBDHN NC(=O)c1ccc(CN[C@@H]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000133458343 454427565 /nfs/dbraw/zinc/42/75/65/454427565.db2.gz DCFWHTILLAAXSZ-IAGOWNOFSA-N 0 3 339.395 3.120 20 5 EGBDHN CC(C)N(Cc1ccc(C(N)=O)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350174 454475567 /nfs/dbraw/zinc/47/55/67/454475567.db2.gz AHUIQRNWXFMCTC-UHFFFAOYSA-N 0 3 327.384 3.104 20 5 EGBDHN COC(=O)[C@H](C)CN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000091985996 454500453 /nfs/dbraw/zinc/50/04/53/454500453.db2.gz DSGTYPCSCNIBDC-GFCCVEGCSA-N 0 3 332.356 3.096 20 5 EGBDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000051050850 454606861 /nfs/dbraw/zinc/60/68/61/454606861.db2.gz NPECKJWZBVVWIM-RDJZCZTQSA-N 0 3 347.459 3.154 20 5 EGBDHN COc1ccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1[N+](=O)[O-] ZINC000134903527 454607202 /nfs/dbraw/zinc/60/72/02/454607202.db2.gz PTBNGIWJAGJKDN-NVXWUHKLSA-N 0 3 345.443 3.052 20 5 EGBDHN Cc1cc(N2CC[C@@H](C)N(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074768865 454632816 /nfs/dbraw/zinc/63/28/16/454632816.db2.gz JAJFZJQOIFBCFV-MRXNPFEDSA-N 0 3 340.427 3.399 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cccc(O)c1 ZINC000080937251 454650322 /nfs/dbraw/zinc/65/03/22/454650322.db2.gz RKBFJUYFMVQPNJ-UHFFFAOYSA-N 0 3 343.383 3.069 20 5 EGBDHN CC(C)n1cc([C@@H](C)NCCCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000612517454 460646435 /nfs/dbraw/zinc/64/64/35/460646435.db2.gz APPQWEOYYZWWQY-CQSZACIVSA-N 0 3 332.404 3.492 20 5 EGBDHN CC(=O)c1ccc(N2CCC(N3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052428321 454672527 /nfs/dbraw/zinc/67/25/27/454672527.db2.gz JTOKCPUMRUTCOT-UHFFFAOYSA-N 0 3 331.416 3.252 20 5 EGBDHN COc1ccc(-c2ccc(CN(C)CC(C)(C)O)o2)c([N+](=O)[O-])c1 ZINC000093414585 454713772 /nfs/dbraw/zinc/71/37/72/454713772.db2.gz NZWRKKGHGJMVFB-UHFFFAOYSA-N 0 3 334.372 3.066 20 5 EGBDHN COc1cc(CN2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000153174694 454767024 /nfs/dbraw/zinc/76/70/24/454767024.db2.gz DDBFMVOTQGFEOV-PHIMTYICSA-N 0 3 342.342 3.437 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000162471697 454777889 /nfs/dbraw/zinc/77/78/89/454777889.db2.gz MOLARRSVJLJTSM-KRWDZBQOSA-N 0 3 342.399 3.328 20 5 EGBDHN COc1ccc2cc(CN(C)CCn3cc([N+](=O)[O-])cn3)ccc2c1 ZINC000266910056 455473803 /nfs/dbraw/zinc/47/38/03/455473803.db2.gz LEHWBAXKPUBSGU-UHFFFAOYSA-N 0 3 340.383 3.085 20 5 EGBDHN Cc1cc(C)c(OC[C@H](O)CN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000153651523 454817499 /nfs/dbraw/zinc/81/74/99/454817499.db2.gz SSBHHFUPLXTFIJ-QGZVFWFLSA-N 0 3 344.411 3.083 20 5 EGBDHN COc1ccc(C(=O)Nc2cc(CN(C)C)ccc2C)cc1[N+](=O)[O-] ZINC000177330824 454852401 /nfs/dbraw/zinc/85/24/01/454852401.db2.gz BFUZTDOZXSGGDD-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN C[C@@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000151062051 454932176 /nfs/dbraw/zinc/93/21/76/454932176.db2.gz DMBWARSISKHDJT-RHSMWYFYSA-N 0 3 345.443 3.427 20 5 EGBDHN C[C@@H](NC[C@@H](Cc1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154970563 454949896 /nfs/dbraw/zinc/94/98/96/454949896.db2.gz IYUZAGCLWXHIJI-DNVCBOLYSA-N 0 3 327.428 3.418 20 5 EGBDHN Cc1c([C@H](C)NCc2ccc(-n3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000178742668 454972240 /nfs/dbraw/zinc/97/22/40/454972240.db2.gz KMGADYRTYBBXQB-AWEZNQCLSA-N 0 3 337.383 3.335 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H](C)c1ccccn1 ZINC000127914639 455009359 /nfs/dbraw/zinc/00/93/59/455009359.db2.gz JBIRVKLFPNAVDC-CQSZACIVSA-N 0 3 342.399 3.320 20 5 EGBDHN CCOc1ccc([C@H](C)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000245503493 455316251 /nfs/dbraw/zinc/31/62/51/455316251.db2.gz IDYUZBQOMZKJQI-IPYPFGDCSA-N 0 3 333.432 3.269 20 5 EGBDHN CCc1ccc(C(=O)N2CCC[C@@H]2CN2CCCCC2)cc1[N+](=O)[O-] ZINC000174177660 455367729 /nfs/dbraw/zinc/36/77/29/455367729.db2.gz IYEBIUHXZTUJHY-QGZVFWFLSA-N 0 3 345.443 3.248 20 5 EGBDHN Cc1ccc(C[C@H](CO)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000191582158 455499692 /nfs/dbraw/zinc/49/96/92/455499692.db2.gz ZPKBXSBATZCMPT-CRAIPNDOSA-N 0 3 328.412 3.466 20 5 EGBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H]1CCO[C@H]1c1ccccc1 ZINC000191962349 455535629 /nfs/dbraw/zinc/53/56/29/455535629.db2.gz YKJZPSIKMPIZBU-QAPCUYQASA-N 0 3 328.368 3.093 20 5 EGBDHN C[C@@H]1C[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000271321054 455597057 /nfs/dbraw/zinc/59/70/57/455597057.db2.gz YFSPLFPFVGPUST-YPMHNXCESA-N 0 3 333.413 3.375 20 5 EGBDHN C[C@@H](NC[C@H](O)c1ccc(Cl)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283928010 455611936 /nfs/dbraw/zinc/61/19/36/455611936.db2.gz DXCLDLQHCPITFV-HWPZZCPQSA-N 0 3 335.791 3.215 20 5 EGBDHN C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000185939880 455657158 /nfs/dbraw/zinc/65/71/58/455657158.db2.gz QKUVTSZSLCSBCJ-GUYCJALGSA-N 0 3 342.399 3.408 20 5 EGBDHN CN1CC[C@]2(CCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)C2)C1 ZINC000292676927 455728688 /nfs/dbraw/zinc/72/86/88/455728688.db2.gz ZZNKSMPBDJIZSQ-IBGZPJMESA-N 0 3 345.443 3.060 20 5 EGBDHN CCc1ccc(C(=O)Nc2ccc3c(c2)CNCC3)cc1[N+](=O)[O-] ZINC000269226026 455816019 /nfs/dbraw/zinc/81/60/19/455816019.db2.gz UBAFQLCULVFABM-UHFFFAOYSA-N 0 3 325.368 3.055 20 5 EGBDHN Cc1cc2ncc([C@H](C)NCCc3ccc([N+](=O)[O-])cc3)c(C)n2n1 ZINC000194415246 455839059 /nfs/dbraw/zinc/83/90/59/455839059.db2.gz UPIDJEDCRAOVBH-ZDUSSCGKSA-N 0 3 339.399 3.148 20 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455959961 /nfs/dbraw/zinc/95/99/61/455959961.db2.gz WHRLEZXBNHMLGH-KRWDZBQOSA-N 0 3 333.338 3.020 20 5 EGBDHN O=[N+]([O-])c1ccccc1CN1CCNC[C@H]1c1ccccc1Cl ZINC000262298485 456021953 /nfs/dbraw/zinc/02/19/53/456021953.db2.gz XCBUWNBMDWARFH-KRWDZBQOSA-N 0 3 331.803 3.395 20 5 EGBDHN COc1cccc([C@@H](CNc2ncc(C)cc2[N+](=O)[O-])N(C)C)c1 ZINC000301350039 456095767 /nfs/dbraw/zinc/09/57/67/456095767.db2.gz JOAHZLYZSBGDOZ-MRXNPFEDSA-N 0 3 330.388 3.022 20 5 EGBDHN Cc1cc(NCCCNC(=O)C2CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272874626 456096865 /nfs/dbraw/zinc/09/68/65/456096865.db2.gz UASKFPJFDCCIPL-UHFFFAOYSA-N 0 3 342.399 3.170 20 5 EGBDHN CCN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301509175 456133016 /nfs/dbraw/zinc/13/30/16/456133016.db2.gz ATCWHKHNEXZWLI-LBPRGKRZSA-N 0 3 329.347 3.483 20 5 EGBDHN CN(C(=O)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000281157211 456149246 /nfs/dbraw/zinc/14/92/46/456149246.db2.gz POIIKRYEOQGQRJ-INIZCTEOSA-N 0 3 339.395 3.080 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000297278240 456171003 /nfs/dbraw/zinc/17/10/03/456171003.db2.gz DWZAONOBBLALSS-GOSISDBHSA-N 0 3 346.431 3.107 20 5 EGBDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000236733976 456176691 /nfs/dbraw/zinc/17/66/91/456176691.db2.gz WHNMVTCUUJWUFN-KRWDZBQOSA-N 0 3 345.374 3.287 20 5 EGBDHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000281317952 456200499 /nfs/dbraw/zinc/20/04/99/456200499.db2.gz RATNBJKPZFJSRH-VFAJRCTISA-N 0 3 336.407 3.495 20 5 EGBDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000297398282 456209189 /nfs/dbraw/zinc/20/91/89/456209189.db2.gz FORAFIOWLFHJNR-XJKSGUPXSA-N 0 3 341.415 3.158 20 5 EGBDHN Cc1ccc(C(=O)Nc2ccccc2CCN(C)C)cc1[N+](=O)[O-] ZINC000275790982 456314769 /nfs/dbraw/zinc/31/47/69/456314769.db2.gz HKPMLRBDFNPQQD-UHFFFAOYSA-N 0 3 327.384 3.260 20 5 EGBDHN Cc1c([C@H](C)N[C@H]2COc3ccccc3[C@@H]2O)cccc1[N+](=O)[O-] ZINC000290531518 456355569 /nfs/dbraw/zinc/35/55/69/456355569.db2.gz ZKLUIWONDVMILQ-QITLCBANSA-N 0 3 328.368 3.048 20 5 EGBDHN C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCC[C@H]1C ZINC000343068188 456385313 /nfs/dbraw/zinc/38/53/13/456385313.db2.gz QUSGQHXIIDOIQX-OLZOCXBDSA-N 0 3 344.415 3.069 20 5 EGBDHN C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC[C@H]1C ZINC000343073747 456386984 /nfs/dbraw/zinc/38/69/84/456386984.db2.gz COIUYMZYKBZORH-VXGBXAGGSA-N 0 3 339.823 3.241 20 5 EGBDHN Cc1cc(CN(C)C)cc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000340334548 456396524 /nfs/dbraw/zinc/39/65/24/456396524.db2.gz QEXSYQGVKGOGSW-UHFFFAOYSA-N 0 3 331.347 3.356 20 5 EGBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(F)cc1F ZINC000282442037 456515853 /nfs/dbraw/zinc/51/58/53/456515853.db2.gz LBGWKUBMBFHHAS-QGZVFWFLSA-N 0 3 336.338 3.081 20 5 EGBDHN CCCN(CCN1CCCCC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000343338852 456541094 /nfs/dbraw/zinc/54/10/94/456541094.db2.gz CDQRAAPHQZDBBW-UHFFFAOYSA-N 0 3 337.449 3.006 20 5 EGBDHN CCO[C@H]1COCC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353183141 456545678 /nfs/dbraw/zinc/54/56/78/456545678.db2.gz HCSCDCMTXZGDEO-YJBOKZPZSA-N 0 3 346.383 3.138 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCOC(F)(F)F)o1 ZINC000353242619 456582488 /nfs/dbraw/zinc/58/24/88/456582488.db2.gz ZTTGZHGZRDEMPF-UHFFFAOYSA-N 0 3 330.262 3.481 20 5 EGBDHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000299259376 456644644 /nfs/dbraw/zinc/64/46/44/456644644.db2.gz SKXYOWHHLOZMMC-NEPJUHHUSA-N 0 3 339.823 3.098 20 5 EGBDHN C[C@@H](CN1CCCCC1)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000323682886 456656322 /nfs/dbraw/zinc/65/63/22/456656322.db2.gz HPIHVHKYBGYPGH-JTQLQIEISA-N 0 3 332.326 3.295 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H]3CCCC(F)(F)C3)C2)nc1 ZINC000338272458 456742892 /nfs/dbraw/zinc/74/28/92/456742892.db2.gz CNBLGSIVYRMYNE-STQMWFEESA-N 0 3 340.374 3.302 20 5 EGBDHN C[C@@H]1CCCC[C@H]1OCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331872150 457266199 /nfs/dbraw/zinc/26/61/99/457266199.db2.gz HDZPVLORRSPJDK-GDBMZVCRSA-N 0 3 336.436 3.024 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCOCC2(CCOCC2)C1 ZINC000347373999 457383325 /nfs/dbraw/zinc/38/33/25/457383325.db2.gz MXDAYKQGUXEGDW-LFIBNONCSA-N 0 3 346.427 3.127 20 5 EGBDHN O=C1Nc2ccccc2[C@]12CCN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000364451263 457608826 /nfs/dbraw/zinc/60/88/26/457608826.db2.gz YTJROTHCFOGJBW-ZEZYUPADSA-N 0 3 349.390 3.204 20 5 EGBDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000357848570 457710809 /nfs/dbraw/zinc/71/08/09/457710809.db2.gz JPBPVBDBXGSJEE-KBXCAEBGSA-N 0 3 341.411 3.324 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C2CCOCC2)C1 ZINC000371068158 457779163 /nfs/dbraw/zinc/77/91/63/457779163.db2.gz ZGXSLTVJFOEHDX-HNNXBMFYSA-N 0 3 334.416 3.242 20 5 EGBDHN CN(C(=O)CN(CC1CC1)CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000361564126 457799555 /nfs/dbraw/zinc/79/95/55/457799555.db2.gz MDUMJGBJXOPUKX-UHFFFAOYSA-N 0 3 331.416 3.070 20 5 EGBDHN Cc1ccc([C@H](C)NCC[S@](=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000358171455 457832430 /nfs/dbraw/zinc/83/24/30/457832430.db2.gz GRJGKEUEVQJGGQ-PSLXWICFSA-N 0 3 332.425 3.362 20 5 EGBDHN CCC[C@@H](N[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358210211 457861617 /nfs/dbraw/zinc/86/16/17/457861617.db2.gz YCELANDIIOJGIM-GOEBONIOSA-N 0 3 333.432 3.425 20 5 EGBDHN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCc2ccccc2C1 ZINC000444646471 457926749 /nfs/dbraw/zinc/92/67/49/457926749.db2.gz BHEXFEPVBPLUCO-OAHLLOKOSA-N 0 3 336.395 3.460 20 5 EGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000358378089 457964015 /nfs/dbraw/zinc/96/40/15/457964015.db2.gz NHNYNWYOMNQADQ-LBPRGKRZSA-N 0 3 349.456 3.087 20 5 EGBDHN C[C@@]1(CCc2ccccc2)CCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000434911353 458065710 /nfs/dbraw/zinc/06/57/10/458065710.db2.gz YNFBVEJFMBTPAH-GOSISDBHSA-N 0 3 328.416 3.136 20 5 EGBDHN COCC[C@@]1(NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOC1 ZINC000447093050 458263889 /nfs/dbraw/zinc/26/38/89/458263889.db2.gz GLYYYSKWURJWCX-GOSISDBHSA-N 0 3 346.383 3.140 20 5 EGBDHN CC[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])N1CCCC1 ZINC000436311384 458287716 /nfs/dbraw/zinc/28/77/16/458287716.db2.gz KVRMVQXFXYETHL-JTQLQIEISA-N 0 3 332.326 3.295 20 5 EGBDHN CCCC[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000460357633 458513225 /nfs/dbraw/zinc/51/32/25/458513225.db2.gz UTGKZRSFEOYMDH-HIFRSBDPSA-N 0 3 349.431 3.490 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccccc1OCCO ZINC000468637086 458529144 /nfs/dbraw/zinc/52/91/44/458529144.db2.gz GLWGFWFDZHIAMK-RVDMUPIBSA-N 0 3 342.395 3.159 20 5 EGBDHN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000440262405 458798990 /nfs/dbraw/zinc/79/89/90/458798990.db2.gz WYEYEHPZPAZFKH-RHSMWYFYSA-N 0 3 345.443 3.487 20 5 EGBDHN C[C@@H]1CN(C2CC2)C[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000466818063 458925167 /nfs/dbraw/zinc/92/51/67/458925167.db2.gz XQWPVPGGYWBXCX-RNCFNFMXSA-N 0 3 340.221 3.252 20 5 EGBDHN CCOC(=O)c1cc(N[C@@H](C)CN2CCCCC2)ccc1[N+](=O)[O-] ZINC000467733136 458984873 /nfs/dbraw/zinc/98/48/73/458984873.db2.gz UEQCRQBBDSLIAT-ZDUSSCGKSA-N 0 3 335.404 3.058 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](CC(C)C)N1CCOCC1 ZINC000531989190 459012721 /nfs/dbraw/zinc/01/27/21/459012721.db2.gz IFHPKGGMKIJLCZ-WMZOPIPTSA-N 0 3 349.475 3.301 20 5 EGBDHN Cc1c([C@H](C)N[C@@H]2CC[C@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000589949690 459056647 /nfs/dbraw/zinc/05/66/47/459056647.db2.gz HAXXIKPOLKBTDT-MISXGVKJSA-N 0 3 332.322 3.400 20 5 EGBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000577884803 459114291 /nfs/dbraw/zinc/11/42/91/459114291.db2.gz NHTBBTXBKOLSFT-OAHLLOKOSA-N 0 3 345.399 3.287 20 5 EGBDHN C[C@@H]1[C@H](O)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000590661408 459175603 /nfs/dbraw/zinc/17/56/03/459175603.db2.gz DMGDDXFWYLLXJP-MEBBXXQBSA-N 0 3 336.775 3.463 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](CO)CC2CC2)o1 ZINC000594983084 459205328 /nfs/dbraw/zinc/20/53/28/459205328.db2.gz JXZHTNDTKKDIGK-CQSZACIVSA-N 0 3 330.384 3.353 20 5 EGBDHN CCCN1CC[C@@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000594992427 459209093 /nfs/dbraw/zinc/20/90/93/459209093.db2.gz REPONMJCWLWNRJ-CQSZACIVSA-N 0 3 346.456 3.292 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)Cn1ccnc1C ZINC000595015563 459216238 /nfs/dbraw/zinc/21/62/38/459216238.db2.gz ZBYLEQNKKZOVEU-OLZOCXBDSA-N 0 3 332.404 3.095 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000595025965 459221058 /nfs/dbraw/zinc/22/10/58/459221058.db2.gz LQYZGAFHAYEDKN-ASTDHERZSA-N 0 3 332.400 3.212 20 5 EGBDHN CC[C@@H](CC(F)F)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000595371551 459285902 /nfs/dbraw/zinc/28/59/02/459285902.db2.gz OFROQTLSFWETMG-RYUDHWBXSA-N 0 3 328.363 3.157 20 5 EGBDHN Cc1noc(CN(CCN2CCCCCC2)C2CCC2)c1[N+](=O)[O-] ZINC000595497402 459324709 /nfs/dbraw/zinc/32/47/09/459324709.db2.gz NZXKUBFINOBUAF-UHFFFAOYSA-N 0 3 336.436 3.122 20 5 EGBDHN C[C@H]1CCN(CCNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000524771424 459390899 /nfs/dbraw/zinc/39/08/99/459390899.db2.gz JQUWMSLMZFZIIN-AWEZNQCLSA-N 0 3 329.400 3.286 20 5 EGBDHN CC(C)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000540921854 459403868 /nfs/dbraw/zinc/40/38/68/459403868.db2.gz IXCWHFMSFJYEDD-KRWDZBQOSA-N 0 3 333.363 3.495 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595791139 459443207 /nfs/dbraw/zinc/44/32/07/459443207.db2.gz ZSLVIZJYODSNAI-YOEHRIQHSA-N 0 3 334.416 3.385 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)c2cccc3c2CCNC3)cc1[N+](=O)[O-] ZINC000595940519 459489112 /nfs/dbraw/zinc/48/91/12/459489112.db2.gz FRBLGKULTUVSBK-ZDUSSCGKSA-N 0 3 339.395 3.040 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN1CCCCC1 ZINC000562571021 459590629 /nfs/dbraw/zinc/59/06/29/459590629.db2.gz FPHUUISIXVZQCN-ZDUSSCGKSA-N 0 3 334.420 3.153 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](n2cc(C)cn2)C1 ZINC000583784496 459595425 /nfs/dbraw/zinc/59/54/25/459595425.db2.gz GEONXYGSTWELMU-QKAYDNCFSA-N 0 3 326.400 3.450 20 5 EGBDHN CC[C@@H](CO)N(CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000543446205 459657830 /nfs/dbraw/zinc/65/78/30/459657830.db2.gz HDFMEHRWBRRKFA-KRWDZBQOSA-N 0 3 344.411 3.247 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN[C@H](CO)c2cccc(Cl)c2F)cc1 ZINC000499939039 459658127 /nfs/dbraw/zinc/65/81/27/459658127.db2.gz NAEGLMHKXDQLLH-OAHLLOKOSA-N 0 3 338.766 3.253 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H](OC(C)C)C1 ZINC000593056108 459758345 /nfs/dbraw/zinc/75/83/45/459758345.db2.gz YCCYMOGAYDQMAU-MRXNPFEDSA-N 0 3 349.431 3.121 20 5 EGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000574454661 459820394 /nfs/dbraw/zinc/82/03/94/459820394.db2.gz IQMZDXNCPMVFQI-AWEZNQCLSA-N 0 3 347.459 3.061 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C2CCC2)C[C@H](C)C1 ZINC000574825544 459878812 /nfs/dbraw/zinc/87/88/12/459878812.db2.gz LMMHNGFGYSSWRB-ZDUSSCGKSA-N 0 3 346.431 3.241 20 5 EGBDHN 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CC[C@H](C)NC(=O)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279163735 275309055 /nfs/dbraw/zinc/30/90/55/275309055.db2.gz UGWCDUDHJWOWEL-BLLLJJGKSA-N 0 3 333.432 3.212 20 5 EGBDHN C[S@](=O)C1(CN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000281194018 275529098 /nfs/dbraw/zinc/52/90/98/275529098.db2.gz XURCKFOQOZAYIJ-CMJOXMDJSA-N 0 3 336.457 3.208 20 5 EGBDHN Cc1cc([N+](=O)[O-])cc(C(=O)N(CCN(C)C)c2ccccc2)c1F ZINC000284808268 275828051 /nfs/dbraw/zinc/82/80/51/275828051.db2.gz ZHDXJZQQXPSLLG-UHFFFAOYSA-N 0 3 345.374 3.251 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000286991884 276067822 /nfs/dbraw/zinc/06/78/22/276067822.db2.gz PEGWASBMRSIHGL-UHFFFAOYSA-N 0 3 334.420 3.243 20 5 EGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000288180039 276188849 /nfs/dbraw/zinc/18/88/49/276188849.db2.gz BNFGZTCJRUJRDG-YOEHRIQHSA-N 0 3 340.427 3.500 20 5 EGBDHN C[C@@H](CCCNC(=O)OC(C)(C)C)NCc1ccc([N+](=O)[O-])cc1 ZINC000290767834 276538941 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CCOc1ccc([C@@H](C)NCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000153964792 307784958 /nfs/dbraw/zinc/78/49/58/307784958.db2.gz CKCWHDUIUMRKSF-GFCCVEGCSA-N 0 3 338.404 3.376 20 5 EGBDHN CCn1ccc(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000414209239 309066796 /nfs/dbraw/zinc/06/67/96/309066796.db2.gz MWVGMHRKGHQFJI-WMLDXEAASA-N 0 3 328.416 3.312 20 5 EGBDHN C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC[C@@H]12 ZINC000248409531 308002266 /nfs/dbraw/zinc/00/22/66/308002266.db2.gz CQWZDYFXDOFUIX-COXVUDFISA-N 0 3 331.416 3.068 20 5 EGBDHN CN(Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1O ZINC000252915570 308032781 /nfs/dbraw/zinc/03/27/81/308032781.db2.gz ASWRERSHCRFKHG-TZMCWYRMSA-N 0 3 343.221 3.093 20 5 EGBDHN CC(C)(CO)[C@@H](NC/C=C/c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000293565575 308142228 /nfs/dbraw/zinc/14/22/28/308142228.db2.gz GKSSYPWJZNPDQL-IWHGQQBYSA-N 0 3 341.411 3.352 20 5 EGBDHN CC[C@H](C)[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000294749793 308253059 /nfs/dbraw/zinc/25/30/59/308253059.db2.gz ICUUXTKVTNWEJK-GUYCJALGSA-N 0 3 346.431 3.146 20 5 EGBDHN C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295000441 308280215 /nfs/dbraw/zinc/28/02/15/308280215.db2.gz RSNRDDWESBPPAX-CYBMUJFWSA-N 0 3 326.400 3.064 20 5 EGBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC1CCN(C2CCC2)CC1 ZINC000296176142 308401222 /nfs/dbraw/zinc/40/12/22/308401222.db2.gz ZSEQEWLQTZZAOL-UHFFFAOYSA-N 0 3 344.337 3.437 20 5 EGBDHN Cc1cc(N2CCN(c3ccncc3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302154259 308731212 /nfs/dbraw/zinc/73/12/12/308731212.db2.gz IMDSXBUAQWCRQH-UHFFFAOYSA-N 0 3 349.394 3.173 20 5 EGBDHN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000331954583 308822029 /nfs/dbraw/zinc/82/20/29/308822029.db2.gz JOYZAKTWIDDFIT-HUUCEWRRSA-N 0 3 333.432 3.345 20 5 EGBDHN O=[N+]([O-])c1cnc(N2CC[C@H](N3CCCCC3)C2)c(C(F)(F)F)c1 ZINC000413145304 309018065 /nfs/dbraw/zinc/01/80/65/309018065.db2.gz ZLSOBRSXZNEBGX-NSHDSACASA-N 0 3 344.337 3.073 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCNc1ccccn1)CCCC2 ZINC000417317663 309201514 /nfs/dbraw/zinc/20/15/14/309201514.db2.gz XEIOAIVVPMLAGT-KRWDZBQOSA-N 0 3 326.400 3.459 20 5 EGBDHN O=C1C[C@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCCN12 ZINC000417329879 309201865 /nfs/dbraw/zinc/20/18/65/309201865.db2.gz KBKSWIWWDUZDSU-BZSNNMDCSA-N 0 3 343.427 3.105 20 5 EGBDHN Cc1ccc([C@H](C)NCC(C)(C)C2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000417390651 309204195 /nfs/dbraw/zinc/20/41/95/309204195.db2.gz YZURJDPBKFRZGK-AWEZNQCLSA-N 0 3 336.432 3.122 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000421746623 309338170 /nfs/dbraw/zinc/33/81/70/309338170.db2.gz DUATUJRQSZLDCD-IUODEOHRSA-N 0 3 333.432 3.062 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000421886199 309345202 /nfs/dbraw/zinc/34/52/02/309345202.db2.gz GXFALWWUKSHLQS-YLQAJVPDSA-N 0 3 345.443 3.014 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](N)c1ccc(C(C)C)cc1 ZINC000422798641 309369024 /nfs/dbraw/zinc/36/90/24/309369024.db2.gz SDTBRKMBUPBPNX-INIZCTEOSA-N 0 3 341.411 3.456 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)[C@H](N)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000423270155 309393407 /nfs/dbraw/zinc/39/34/07/309393407.db2.gz GFKKMASBANABLN-XJKSGUPXSA-N 0 3 333.432 3.378 20 5 EGBDHN O=C1CCN1c1cccc(CNC/C=C\c2ccccc2[N+](=O)[O-])c1 ZINC000441219660 309864976 /nfs/dbraw/zinc/86/49/76/309864976.db2.gz YWKWAINIKZAGID-DAXSKMNVSA-N 0 3 337.379 3.135 20 5 EGBDHN CN1CC[C@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)[C@@H]2C1 ZINC000450429511 310121998 /nfs/dbraw/zinc/12/19/98/310121998.db2.gz LOROMKAUYNTBTF-XJKSGUPXSA-N 0 3 344.440 3.249 20 5 EGBDHN Cc1c(CNC(=O)[C@@H]2CCCCN2C2CCCC2)cccc1[N+](=O)[O-] ZINC000451126612 310161872 /nfs/dbraw/zinc/16/18/72/310161872.db2.gz DOGBTMRCXSLYLJ-SFHVURJKSA-N 0 3 345.443 3.317 20 5 EGBDHN CC(C)N1CCC[C@H](N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551787 310185680 /nfs/dbraw/zinc/18/56/80/310185680.db2.gz VIMFUKDBOLWAHD-WMZOPIPTSA-N 0 3 345.443 3.174 20 5 EGBDHN COC(=O)C(C)(C)CCNCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000475237009 310809083 /nfs/dbraw/zinc/80/90/83/310809083.db2.gz RRUNHLQYXJVRIS-UHFFFAOYSA-N 0 3 348.321 3.293 20 5 EGBDHN CN1CC[C@]2(CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000488773372 311079437 /nfs/dbraw/zinc/07/94/37/311079437.db2.gz GCRKWXJDWAZYMJ-AWEZNQCLSA-N 0 3 330.215 3.434 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H](COc3ccccc3)C2)c1 ZINC000505891399 312038268 /nfs/dbraw/zinc/03/82/68/312038268.db2.gz XZVOTSXXKZYDEL-INIZCTEOSA-N 0 3 342.395 3.375 20 5 EGBDHN CC(C)CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)C ZINC000506181778 312043937 /nfs/dbraw/zinc/04/39/37/312043937.db2.gz GCVLTIXKKKZBHO-UHFFFAOYSA-N 0 3 333.432 3.098 20 5 EGBDHN CN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1OCCc2ccccc21 ZINC000507254610 312066126 /nfs/dbraw/zinc/06/61/26/312066126.db2.gz HABIHXXUAFOHGJ-IBGZPJMESA-N 0 3 326.396 3.383 20 5 EGBDHN Cc1cccc(C[C@H](CO)N[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000527214748 312842356 /nfs/dbraw/zinc/84/23/56/312842356.db2.gz XVFBWEMVDYQWNB-NVXWUHKLSA-N 0 3 328.412 3.466 20 5 EGBDHN COC[C@H](NCCc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000537095929 314160645 /nfs/dbraw/zinc/16/06/45/314160645.db2.gz XPDZCSSJOPGGOL-KRWDZBQOSA-N 0 3 336.338 3.393 20 5 EGBDHN C[C@@H]1CCN(CCNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000537500191 314185094 /nfs/dbraw/zinc/18/50/94/314185094.db2.gz JHDBTJAJZPTKCQ-CYBMUJFWSA-N 0 3 346.456 3.150 20 5 EGBDHN COc1ccc(CNCCc2ccc(F)c(F)c2F)cc1[N+](=O)[O-] ZINC000544174704 314678298 /nfs/dbraw/zinc/67/82/98/314678298.db2.gz FYAKAFLJEQHLSP-UHFFFAOYSA-N 0 3 340.301 3.353 20 5 EGBDHN CCC[C@H](C)C(=O)NCCNC/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000552072109 315195470 /nfs/dbraw/zinc/19/54/70/315195470.db2.gz VVRFGGXBWFTOMQ-GOFCXVBSSA-N 0 3 333.432 3.140 20 5 EGBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@@H](c1ccccc1)N(C)C ZINC000558607873 315582967 /nfs/dbraw/zinc/58/29/67/315582967.db2.gz BYWVXDHOSGIIQD-GTNSWQLSSA-N 0 3 332.379 3.419 20 5 EGBDHN COCCNc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000569258748 316889738 /nfs/dbraw/zinc/88/97/38/316889738.db2.gz KQHLQJXHIQPTML-SFHVURJKSA-N 0 3 341.411 3.430 20 5 EGBDHN O=C(CCN[C@H]1CCc2c1cccc2[N+](=O)[O-])Nc1ccccc1 ZINC000573457858 317488558 /nfs/dbraw/zinc/48/85/58/317488558.db2.gz HRJHARWVPAZOBV-INIZCTEOSA-N 0 3 325.368 3.201 20 5 EGBDHN Cc1nccn1CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290911392 456464671 /nfs/dbraw/zinc/46/46/71/456464671.db2.gz PFVQNMKAEVZYHT-UHFFFAOYSA-N 0 3 329.187 3.196 20 5 EGBDHN C[C@H](C(=O)NC[C@H](c1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000582583034 325452346 /nfs/dbraw/zinc/45/23/46/325452346.db2.gz OSONGTRYPYWXRX-KBXCAEBGSA-N 0 3 341.411 3.117 20 5 EGBDHN CC(C)OCCOC1CCN([C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000583822848 325554695 /nfs/dbraw/zinc/55/46/95/325554695.db2.gz ZOMHITADGNGSNY-SFHVURJKSA-N 0 3 348.443 3.488 20 5 EGBDHN O=[N+]([O-])c1cc(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)cs1 ZINC000189602241 455222936 /nfs/dbraw/zinc/22/29/36/455222936.db2.gz KPPPIXXKGFUOEU-JQWIXIFHSA-N 0 3 338.351 3.230 20 5 EGBDHN N[C@H](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000237850975 455225904 /nfs/dbraw/zinc/22/59/04/455225904.db2.gz ZBYYTELERLIWHA-GOSISDBHSA-N 0 3 341.411 3.124 20 5 EGBDHN CCN(CC1CC1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157892151 455245329 /nfs/dbraw/zinc/24/53/29/455245329.db2.gz YEPDEBWISUJNJC-JTQLQIEISA-N 0 3 325.796 3.307 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(C)cc1CN(C)C ZINC000180859449 455256347 /nfs/dbraw/zinc/25/63/47/455256347.db2.gz UWVBATIPAYDZTA-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN COc1ccc(CN(Cc2ccccc2)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000181150666 455294581 /nfs/dbraw/zinc/29/45/81/455294581.db2.gz JVVZOWJGOJEPJM-UHFFFAOYSA-N 0 3 344.411 3.377 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000245450589 455303992 /nfs/dbraw/zinc/30/39/92/455303992.db2.gz OTRPGBRFHOQIIS-KEYYUXOJSA-N 0 3 331.416 3.495 20 5 EGBDHN CN(C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000008062808 453155620 /nfs/dbraw/zinc/15/56/20/453155620.db2.gz NNSIACQXBWRPPO-UHFFFAOYSA-N 0 3 347.802 3.240 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CCN(Cc3cccc4ccccc43)CC2)cn1 ZINC000026482831 453801500 /nfs/dbraw/zinc/80/15/00/453801500.db2.gz ZJBAAMMRYHREMH-UHFFFAOYSA-N 0 3 348.406 3.465 20 5 EGBDHN CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCCCC1 ZINC000027284911 453814669 /nfs/dbraw/zinc/81/46/69/453814669.db2.gz PVMSRKFTNWMULX-UHFFFAOYSA-N 0 3 335.404 3.197 20 5 EGBDHN CN(C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000033084772 453904424 /nfs/dbraw/zinc/90/44/24/453904424.db2.gz WJIPSGSEBJUASE-UHFFFAOYSA-N 0 3 347.802 3.240 20 5 EGBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000054226548 453917763 /nfs/dbraw/zinc/91/77/63/453917763.db2.gz BTPOSXAGZKPHKR-YOEHRIQHSA-N 0 3 339.395 3.160 20 5 EGBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000067803660 453967670 /nfs/dbraw/zinc/96/76/70/453967670.db2.gz UAGWYJMRTYMSIM-GOSISDBHSA-N 0 3 325.412 3.349 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000085620987 454035496 /nfs/dbraw/zinc/03/54/96/454035496.db2.gz SNILZQSYRSPTOJ-CQSZACIVSA-N 0 3 348.447 3.454 20 5 EGBDHN Cc1cc(NCc2ccc(OCCN(C)C)cc2)ccc1[N+](=O)[O-] ZINC000076836321 454041854 /nfs/dbraw/zinc/04/18/54/454041854.db2.gz POWHBZUOAJYSSM-UHFFFAOYSA-N 0 3 329.400 3.456 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCCC3)CC2)c2ncccc12 ZINC000045026707 454133880 /nfs/dbraw/zinc/13/38/80/454133880.db2.gz HWUJKVVBOSYUHY-UHFFFAOYSA-N 0 3 326.400 3.208 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN(Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000060039622 454267102 /nfs/dbraw/zinc/26/71/02/454267102.db2.gz MIWDIBCVTKGCBN-SFHVURJKSA-N 0 3 330.384 3.412 20 5 EGBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000046708238 454276413 /nfs/dbraw/zinc/27/64/13/454276413.db2.gz IJWIXYYUQAGYHD-AWEZNQCLSA-N 0 3 331.372 3.001 20 5 EGBDHN COc1cc(NCCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000090719847 454337893 /nfs/dbraw/zinc/33/78/93/454337893.db2.gz SRUTZEZYHXTGAQ-ZDUSSCGKSA-N 0 3 345.399 3.375 20 5 EGBDHN Cc1ccc([C@@H](C)N[C@H]2CCN(c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000090801435 454341266 /nfs/dbraw/zinc/34/12/66/454341266.db2.gz CEYSAFANZWLPEO-ZBFHGGJFSA-N 0 3 326.400 3.228 20 5 EGBDHN CN(C)Cc1ccccc1NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000048173982 454451896 /nfs/dbraw/zinc/45/18/96/454451896.db2.gz GUFPJHGSXXASRJ-UHFFFAOYSA-N 0 3 345.424 3.387 20 5 EGBDHN Cc1ccc([C@H](CNc2nc3sccn3c2[N+](=O)[O-])N(C)C)cc1 ZINC000064114207 454466956 /nfs/dbraw/zinc/46/69/56/454466956.db2.gz ZHAYXDUWGPOAMK-ZDUSSCGKSA-N 0 3 345.428 3.327 20 5 EGBDHN COc1cc(C[NH2+]CCc2c[nH]c3ccccc23)c([N+](=O)[O-])cc1[O-] ZINC000101588616 454475742 /nfs/dbraw/zinc/47/57/42/454475742.db2.gz VUMDIXNBLUBJLZ-UHFFFAOYSA-N 0 3 341.367 3.123 20 5 EGBDHN COC(=O)[C@@H](C)[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000079937823 454501354 /nfs/dbraw/zinc/50/13/54/454501354.db2.gz CZKWYUUEUYKFKB-KBXCAEBGSA-N 0 3 342.395 3.277 20 5 EGBDHN CC(C)c1ccc(CN2CCC[C@@H](Cn3ccnn3)C2)cc1[N+](=O)[O-] ZINC000092070350 454514098 /nfs/dbraw/zinc/51/40/98/454514098.db2.gz BIRGUUIGXQAECY-MRXNPFEDSA-N 0 3 343.431 3.222 20 5 EGBDHN O=[N+]([O-])c1ccc(NC[C@@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000065202001 454537533 /nfs/dbraw/zinc/53/75/33/454537533.db2.gz WPXZSKRQLSMVLK-INIZCTEOSA-N 0 3 326.400 3.314 20 5 EGBDHN C[C@H](NCC1(N2CCOCC2)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000080464721 454585549 /nfs/dbraw/zinc/58/55/49/454585549.db2.gz DCKMLSDTEZPGPE-INIZCTEOSA-N 0 3 347.459 3.281 20 5 EGBDHN Cc1c(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cccc1[N+](=O)[O-] ZINC000134903135 454607008 /nfs/dbraw/zinc/60/70/08/454607008.db2.gz XTWNZOFQXXOLLZ-VQIMIIECSA-N 0 3 329.444 3.352 20 5 EGBDHN Cc1ccc([C@@H](CNc2cc(C)c([N+](=O)[O-])cn2)N2CCCC2)o1 ZINC000074745978 454629441 /nfs/dbraw/zinc/62/94/41/454629441.db2.gz UJROCMBMZHETAU-OAHLLOKOSA-N 0 3 330.388 3.449 20 5 EGBDHN COc1ccc(-c2ccc(CNC[C@H](C)C[C@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000123460009 454640320 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C[C@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000115554092 455020075 /nfs/dbraw/zinc/02/00/75/455020075.db2.gz VTFKHPVVVOSDRE-SUMWQHHRSA-N 0 3 339.395 3.072 20 5 EGBDHN CC1CCC(N2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000115567568 455021392 /nfs/dbraw/zinc/02/13/92/455021392.db2.gz FQXBNYNVGLRKIW-UHFFFAOYSA-N 0 3 347.459 3.170 20 5 EGBDHN C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@H](N)c1ccccc1 ZINC000237700255 455209083 /nfs/dbraw/zinc/20/90/83/455209083.db2.gz MTDPGYLXKHEYFY-DYVFJYSZSA-N 0 3 341.411 3.282 20 5 EGBDHN C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1[C@H](C)CC[C@@H]1C ZINC000183850892 455333459 /nfs/dbraw/zinc/33/34/59/455333459.db2.gz XVZKWBYTGDUXCB-TUAOUCFPSA-N 0 3 339.823 3.126 20 5 EGBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000265518902 455337619 /nfs/dbraw/zinc/33/76/19/455337619.db2.gz LQZRNKWXNVRRNZ-LLVKDONJSA-N 0 3 326.809 3.420 20 5 EGBDHN CN1CCC[C@@H]1CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000245983071 455410808 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333.432 3.342 20 5 EGBDHN CCOC(=O)C1CCC(NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000185650468 455589694 /nfs/dbraw/zinc/58/96/94/455589694.db2.gz SRJNINTYEQVXEN-UHFFFAOYSA-N 0 3 340.807 3.460 20 5 EGBDHN CCOc1cc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1OC ZINC000283993172 455620342 /nfs/dbraw/zinc/62/03/42/455620342.db2.gz HKHIOVFEWKERDR-LBPRGKRZSA-N 0 3 345.399 3.435 20 5 EGBDHN Cc1ccc(CN2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1[N+](=O)[O-] ZINC000271424488 455632333 /nfs/dbraw/zinc/63/23/33/455632333.db2.gz ZZSAZOUVUBARAC-HNNXBMFYSA-N 0 3 341.415 3.278 20 5 EGBDHN Cc1ccc(CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)cc1[N+](=O)[O-] ZINC000271424488 455632341 /nfs/dbraw/zinc/63/23/41/455632341.db2.gz ZZSAZOUVUBARAC-HNNXBMFYSA-N 0 3 341.415 3.278 20 5 EGBDHN C[C@@H](NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249751063 455773274 /nfs/dbraw/zinc/77/32/74/455773274.db2.gz AYKMQNGGDKWCDP-QLFBSQMISA-N 0 3 348.447 3.075 20 5 EGBDHN Cc1c(NC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249802502 455777180 /nfs/dbraw/zinc/77/71/80/455777180.db2.gz ZHUCQSVQZAXTHJ-CHWSQXEVSA-N 0 3 334.420 3.145 20 5 EGBDHN CCOc1ccc(NC(=O)CN[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000194005451 455790703 /nfs/dbraw/zinc/79/07/03/455790703.db2.gz UMIXXSCWLAELLE-TZMCWYRMSA-N 0 3 335.404 3.100 20 5 EGBDHN CN(CCC(=O)N(C)c1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000285420283 455841164 /nfs/dbraw/zinc/84/11/64/455841164.db2.gz VRUFQEAQCBTILA-UHFFFAOYSA-N 0 3 341.411 3.122 20 5 EGBDHN C[C@@H]1C[C@H](c2ccccc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000285805707 455920026 /nfs/dbraw/zinc/92/00/26/455920026.db2.gz USWLVHRBUOZZET-CXAGYDPISA-N 0 3 339.395 3.277 20 5 EGBDHN CC(C)(C)OC(=O)N1CC[C@@](C)(CNCc2ccccc2[N+](=O)[O-])C1 ZINC000195190833 455930638 /nfs/dbraw/zinc/93/06/38/455930638.db2.gz FLCOBSGFODPDEY-SFHVURJKSA-N 0 3 349.431 3.332 20 5 EGBDHN Cc1cccc(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)n1 ZINC000280662398 456025579 /nfs/dbraw/zinc/02/55/79/456025579.db2.gz SZWMIIAOJQSNQD-UHFFFAOYSA-N 0 3 337.326 3.232 20 5 EGBDHN Cc1nn(C)c(NC2CCN([C@@H](C)c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000301315540 456088530 /nfs/dbraw/zinc/08/85/30/456088530.db2.gz MPXOAHVIFPQPIL-AWEZNQCLSA-N 0 3 343.431 3.274 20 5 EGBDHN C[C@@H](NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000332636102 456103400 /nfs/dbraw/zinc/10/34/00/456103400.db2.gz YBVNPIAZJZLJAC-RBSFLKMASA-N 0 3 348.447 3.075 20 5 EGBDHN C[C@@H](NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1=CCN(C)CC1 ZINC000272955020 456123597 /nfs/dbraw/zinc/12/35/97/456123597.db2.gz NATPUZVKVRYPHG-SNVBAGLBSA-N 0 3 338.795 3.020 20 5 EGBDHN C[C@H]1CN(CCCCNc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301543616 456142097 /nfs/dbraw/zinc/14/20/97/456142097.db2.gz DEALPMOKYLHQMX-STQMWFEESA-N 0 3 325.384 3.035 20 5 EGBDHN COCCO[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000188818115 456145343 /nfs/dbraw/zinc/14/53/43/456145343.db2.gz RPCFJBSQKSADNL-MRXNPFEDSA-N 0 3 346.383 3.092 20 5 EGBDHN CN(C(=O)[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)c1ccccc1 ZINC000281157213 456149505 /nfs/dbraw/zinc/14/95/05/456149505.db2.gz POIIKRYEOQGQRJ-MRXNPFEDSA-N 0 3 339.395 3.080 20 5 EGBDHN C[C@@H]1CN(CCC2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000301596326 456155979 /nfs/dbraw/zinc/15/59/79/456155979.db2.gz ZILRADMKSXZNMB-HZPDHXFCSA-N 0 3 347.459 3.311 20 5 EGBDHN CNCc1cccc(NC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000237206134 456247288 /nfs/dbraw/zinc/24/72/88/456247288.db2.gz JBDNPQRZJQMDHI-UHFFFAOYSA-N 0 3 342.399 3.145 20 5 EGBDHN CN(c1ccccc1)c1ccc(CN[C@H]2C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000601139787 460728050 /nfs/dbraw/zinc/72/80/50/460728050.db2.gz KJOCCRMWSGBXHC-IYBDPMFKSA-N 0 3 341.411 3.223 20 5 EGBDHN CN(C[C@@H]1CCN(C)[C@H]1c1cccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000343015482 456357785 /nfs/dbraw/zinc/35/77/85/456357785.db2.gz MPDOHQZBEFHGSR-YOEHRIQHSA-N 0 3 344.390 3.258 20 5 EGBDHN Cc1cccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000340412712 456445508 /nfs/dbraw/zinc/44/55/08/456445508.db2.gz UQWFYUGSTRDVDM-UHFFFAOYSA-N 0 3 327.384 3.364 20 5 EGBDHN C[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](C)C1 ZINC000298535089 456483732 /nfs/dbraw/zinc/48/37/32/456483732.db2.gz ZOUBVIRYNKDYMW-VXGBXAGGSA-N 0 3 339.823 3.098 20 5 EGBDHN CCCN1CCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000353120732 456502856 /nfs/dbraw/zinc/50/28/56/456502856.db2.gz RBLBSQYVYLNVLQ-CQSZACIVSA-N 0 3 343.374 3.160 20 5 EGBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353174064 456539127 /nfs/dbraw/zinc/53/91/27/456539127.db2.gz DSZUHKYTEHISHX-SJLPKXTDSA-N 0 3 346.383 3.138 20 5 EGBDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353174063 456540180 /nfs/dbraw/zinc/54/01/80/456540180.db2.gz DSZUHKYTEHISHX-FUHWJXTLSA-N 0 3 346.383 3.138 20 5 EGBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353183136 456543789 /nfs/dbraw/zinc/54/37/89/456543789.db2.gz HCSCDCMTXZGDEO-CRAIPNDOSA-N 0 3 346.383 3.138 20 5 EGBDHN COc1ccc(-c2ccc(CNC[C@H]3CC[C@@H](O)C3)o2)c([N+](=O)[O-])c1 ZINC000353205228 456559604 /nfs/dbraw/zinc/55/96/04/456559604.db2.gz IAPVUFBMZPEQAD-QWHCGFSZSA-N 0 3 346.383 3.114 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC1CCCC1 ZINC000299406451 456682933 /nfs/dbraw/zinc/68/29/33/456682933.db2.gz NOTUNWJRYRRHRZ-GFCCVEGCSA-N 0 3 335.404 3.052 20 5 EGBDHN CCc1nn(C)c(CC)c1CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000283041552 456696581 /nfs/dbraw/zinc/69/65/81/456696581.db2.gz OBYPPDMNXIXHQP-UHFFFAOYSA-N 0 3 330.432 3.128 20 5 EGBDHN CN(CCN(C)C1CC1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291720141 456733474 /nfs/dbraw/zinc/73/34/74/456733474.db2.gz QVBHNOSVTBJCIE-UHFFFAOYSA-N 0 3 346.214 3.068 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNC[C@H](c1ccco1)N(C)C ZINC000344884436 456869990 /nfs/dbraw/zinc/86/99/90/456869990.db2.gz TVTWUIWBDZACTN-OOXMNIKJSA-N 0 3 329.400 3.484 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc4c(c3)CCC4)C2)nc1 ZINC000353719345 456871654 /nfs/dbraw/zinc/87/16/54/456871654.db2.gz ZNYSOWQWIFMPLE-KRWDZBQOSA-N 0 3 338.411 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349.431 3.104 20 5 EGBDHN Cc1ccc([C@@H](C)NCC[S@](=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000358171450 457832470 /nfs/dbraw/zinc/83/24/70/457832470.db2.gz GRJGKEUEVQJGGQ-FATZIPQQSA-N 0 3 332.425 3.362 20 5 EGBDHN C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1COc2ccccc21 ZINC000444674019 457934883 /nfs/dbraw/zinc/93/48/83/457934883.db2.gz JHQMJLOCTDGXAK-FZMZJTMJSA-N 0 3 338.367 3.125 20 5 EGBDHN CC(C)[C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000444751609 457966176 /nfs/dbraw/zinc/96/61/76/457966176.db2.gz BPCNXONIKCUPFC-RHSMWYFYSA-N 0 3 331.416 3.068 20 5 EGBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CCCCN1C1CC1 ZINC000436435757 458304903 /nfs/dbraw/zinc/30/49/03/458304903.db2.gz YLEGMXXHDAAORM-NSHDSACASA-N 0 3 344.337 3.437 20 5 EGBDHN C[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459787827 458478645 /nfs/dbraw/zinc/47/86/45/458478645.db2.gz QNIDEEQIOREZPW-HEQLZXTPSA-N 0 3 337.807 3.353 20 5 EGBDHN 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328.412 3.405 20 5 EGBDHN CCOc1ccc(NC(=O)CN[C@@H]2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000481187450 459237010 /nfs/dbraw/zinc/23/70/10/459237010.db2.gz GKGDEMHBVQIROE-GZBFAFLISA-N 0 3 349.431 3.346 20 5 EGBDHN CCCn1ccnc1CCCN(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595453311 459308392 /nfs/dbraw/zinc/30/83/92/459308392.db2.gz CHCQLAHAVQRQSM-UHFFFAOYSA-N 0 3 334.395 3.405 20 5 EGBDHN O=[N+]([O-])c1cnc(NC[C@@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000591141729 459320719 /nfs/dbraw/zinc/32/07/19/459320719.db2.gz MQBYKXUSIGHQNZ-HNNXBMFYSA-N 0 3 344.390 3.453 20 5 EGBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCCN(Cc3ccccc3)C2)c(F)c1 ZINC000591141730 459320763 /nfs/dbraw/zinc/32/07/63/459320763.db2.gz MQBYKXUSIGHQNZ-OAHLLOKOSA-N 0 3 344.390 3.453 20 5 EGBDHN CC(C)OC(=O)C[C@H](NCc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595560828 459346914 /nfs/dbraw/zinc/34/69/14/459346914.db2.gz FLNUVFINAKPGID-AWEZNQCLSA-N 0 3 326.368 3.190 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN(CC1CC1)CC1CCC1 ZINC000483262908 459355295 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EGBDHN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1F)[C@H](c1ccccc1)N(C)C ZINC000770052037 1303213252 /nfs/dbraw/zinc/21/32/52/1303213252.db2.gz VETRYYBBLKNKSD-SJKOYZFVSA-N 0 3 345.374 3.155 20 5 EGBDHN Cc1nc(C2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)[nH]c1C ZINC000886666312 1303546248 /nfs/dbraw/zinc/54/62/48/1303546248.db2.gz QTMQGMCVYIPXDN-UHFFFAOYSA-N 0 3 332.379 3.453 20 5 EGBDHN COc1ccc(CN2CCC(c3nc(C)c(C)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000886668711 1303548965 /nfs/dbraw/zinc/54/89/65/1303548965.db2.gz YHCNODJSPJIGLT-UHFFFAOYSA-N 0 3 344.415 3.323 20 5 EGBDHN CCS[C@@H]1CC[C@H](N(C)Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC000892197575 1305278629 /nfs/dbraw/zinc/27/86/29/1305278629.db2.gz RPVMUIABRIBASV-QWHCGFSZSA-N 0 3 340.445 3.415 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]C[C@@H](C)c2cccc(F)c2)c1[N+](=O)[O-] ZINC000892745125 1305536433 /nfs/dbraw/zinc/53/64/33/1305536433.db2.gz KRMSWRAULQJYTM-LLVKDONJSA-N 0 3 334.347 3.341 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCc2ccccc2OC1 ZINC000786832916 1305637934 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C[C@@H](NCC1(NC(=O)OC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903239830 1317679198 /nfs/dbraw/zinc/67/91/98/1317679198.db2.gz PSDMSAATWYJCPV-GFCCVEGCSA-N 0 3 335.404 3.303 20 5 EGBDHN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813112293 1318501777 /nfs/dbraw/zinc/50/17/77/1318501777.db2.gz PBDGSLKLPCZJLE-SECBINFHSA-N 0 3 338.360 3.003 20 5 EGBDHN CC(COC(=O)c1ccc(-c2nc3ccccc3s2)o1)[N+](=O)[O-] ZINC000813114246 1318502469 /nfs/dbraw/zinc/50/24/69/1318502469.db2.gz OHMJBLZEKNSQHZ-SECBINFHSA-N 0 3 332.337 3.378 20 5 EGBDHN CC(COC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1)[N+](=O)[O-] ZINC000813115250 1318502975 /nfs/dbraw/zinc/50/29/75/1318502975.db2.gz NTSGWYAMKSPKDI-CHWSQXEVSA-N 0 3 330.340 3.044 20 5 EGBDHN CC(=O)N(C)c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000858493958 1328779027 /nfs/dbraw/zinc/77/90/27/1328779027.db2.gz BERQQTIEJIPPJW-CYBMUJFWSA-N 0 3 327.384 3.428 20 5 EGBDHN CC(=O)N(C)c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000858495005 1328779380 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EGBDHN CC(C)Cn1nccc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845883152 1321750630 /nfs/dbraw/zinc/75/06/30/1321750630.db2.gz YZKFIYNSTBSKQM-LRDDRELGSA-N 0 3 349.362 3.242 20 5 EGBDHN CC([C@@H](OC(=O)c1occ2c1CCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845883552 1321751452 /nfs/dbraw/zinc/75/14/52/1321751452.db2.gz URDCPNQZSPPUPQ-ZUZCIYMTSA-N 0 3 333.315 3.471 20 5 EGBDHN COc1cc(N[C@@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC000848785889 1322011174 /nfs/dbraw/zinc/01/11/74/1322011174.db2.gz OETUPEHOZXBRPX-TZMCWYRMSA-N 0 3 335.404 3.041 20 5 EGBDHN C[C@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)OC(C)(C)C ZINC000848925630 1322047904 /nfs/dbraw/zinc/04/79/04/1322047904.db2.gz AOVFKMQNMBANNQ-SNVBAGLBSA-N 0 3 328.796 3.316 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000850431357 1322247898 /nfs/dbraw/zinc/24/78/98/1322247898.db2.gz BNWRKYBOCSHMGT-GFCCVEGCSA-N 0 3 345.355 3.405 20 5 EGBDHN C[C@@H](NCCC(=O)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000932178528 1329791378 /nfs/dbraw/zinc/79/13/78/1329791378.db2.gz OVTUOYLLTDJMCX-CQSZACIVSA-N 0 3 327.384 3.299 20 5 EGBDHN CC(C)CN(Cc1ccccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932445381 1329815654 /nfs/dbraw/zinc/81/56/54/1329815654.db2.gz DVLJEKLLEURIPA-GOSISDBHSA-N 0 3 329.400 3.181 20 5 EGBDHN Cc1cccc(NC[C@H]2CCCN2Cc2ccccc2[N+](=O)[O-])n1 ZINC001324297113 1387586406 /nfs/dbraw/zinc/58/64/06/1387586406.db2.gz HFJSZBBUWQXKCM-MRXNPFEDSA-N 0 3 326.400 3.375 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1-c1nc([C@@H]2CN3CCC2CC3)no1 ZINC001325472337 1387985388 /nfs/dbraw/zinc/98/53/88/1387985388.db2.gz AJTLGSZOEJVRSK-CQSZACIVSA-N 0 3 328.372 3.071 20 5 EGBDHN c1cnc2c(c1)ccc1ccc(-c3noc([C@H]4NC[C@H]5C[C@H]54)n3)nc12 ZINC001211568471 1372582281 /nfs/dbraw/zinc/58/22/81/1372582281.db2.gz KUIMDNYJSLABND-XNJGSVPQSA-N 0 3 329.363 3.113 20 5 EGBDHN Cc1cc(Cl)cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001131362936 1373683772 /nfs/dbraw/zinc/68/37/72/1373683772.db2.gz RRWBFVUYWNNHAC-UHFFFAOYSA-N 0 3 347.802 3.076 20 5 EGBDHN CN(CCCNC(=O)CC1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001231379025 1376233506 /nfs/dbraw/zinc/23/35/06/1376233506.db2.gz LOPJKZVDOJDWHR-UHFFFAOYSA-N 0 3 333.432 3.113 20 5 EGBDHN CC(C)c1cccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC001146622852 1378879420 /nfs/dbraw/zinc/87/94/20/1378879420.db2.gz BIYDDNZRUDXNQE-UHFFFAOYSA-N 0 3 341.411 3.238 20 5 EGBDHN CCCCCC(C)(C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001151862969 1379802395 /nfs/dbraw/zinc/80/23/95/1379802395.db2.gz BAFCJXBNTHMUJN-UHFFFAOYSA-N 0 3 335.448 3.407 20 5 EGBDHN O=[N+]([O-])c1cc([O-])cc(Nc2cccc(O[C@@H]3CCC[NH2+]C3)c2)c1 ZINC001160218311 1382037234 /nfs/dbraw/zinc/03/72/34/1382037234.db2.gz CUDHNSAWYWBGDE-QGZVFWFLSA-N 0 3 329.356 3.175 20 5 EGBDHN CC(C)CCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001167222891 1383569779 /nfs/dbraw/zinc/56/97/79/1383569779.db2.gz RPWMFUISPWLRMF-UHFFFAOYSA-N 0 3 327.450 3.079 20 5 EGBDHN NCc1nn(-c2ccc3cc(F)cc([N+](=O)[O-])c3n2)c2ccccc12 ZINC001167697468 1383714135 /nfs/dbraw/zinc/71/41/35/1383714135.db2.gz AQDFYMSXAGQISL-UHFFFAOYSA-N 0 3 337.314 3.080 20 5 EGBDHN COc1ccc(C[C@@H](C)N[C@@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC001170305625 1384287011 /nfs/dbraw/zinc/28/70/11/1384287011.db2.gz OFKREEIMENRPCA-MLGOLLRUSA-N 0 3 328.368 3.258 20 5 EGBDHN COc1ccc(C[C@H](C)NCc2cn(C(C)C)cn2)c([N+](=O)[O-])c1 ZINC001170321350 1384290769 /nfs/dbraw/zinc/29/07/69/1384290769.db2.gz AQILHDDPYDFILK-ZDUSSCGKSA-N 0 3 332.404 3.102 20 5 EGBDHN COc1ccc(C[C@H](C)N2CC[C@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC001170345463 1384295862 /nfs/dbraw/zinc/29/58/62/1384295862.db2.gz LATIZESUNDFNRL-NHYWBVRUSA-N 0 3 326.343 3.266 20 5 EGBDHN Cc1ccc(CN)nc1N(C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895615 1384873493 /nfs/dbraw/zinc/87/34/93/1384873493.db2.gz GIJUYGYZLJLOCN-QGZVFWFLSA-N 0 3 340.427 3.141 20 5 EGBDHN COC(=O)CN(C1CCCC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172919622 1384879222 /nfs/dbraw/zinc/87/92/22/1384879222.db2.gz GVFHMTLSCQWNEU-QGZVFWFLSA-N 0 3 346.427 3.260 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001173222540 1384939138 /nfs/dbraw/zinc/93/91/38/1384939138.db2.gz SVFIXTFMGDCIJM-DOMZBBRYSA-N 0 3 346.349 3.305 20 5 EGBDHN Cc1nc([C@H]2CCCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001173223134 1384939283 /nfs/dbraw/zinc/93/92/83/1384939283.db2.gz YJMYWYAANNVIQY-WFASDCNBSA-N 0 3 330.388 3.097 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001173238971 1384942916 /nfs/dbraw/zinc/94/29/16/1384942916.db2.gz YWTKNEICWFYSQY-AYOQOUSVSA-N 0 3 349.450 3.424 20 5 EGBDHN CS[C@@H]1CC[C@@H](N(C)Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC001319788291 1386296420 /nfs/dbraw/zinc/29/64/20/1386296420.db2.gz XOFUNMOAJPJZPG-TZMCWYRMSA-N 0 3 334.445 3.426 20 5 EGBDHN COC(=O)[C@H]1CCC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC001321077471 1386802561 /nfs/dbraw/zinc/80/25/61/1386802561.db2.gz XMPYDJFAQGANGR-DZGCQCFKSA-N 0 3 344.367 3.286 20 5 EGBDHN CCCCC(=O)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001754958142 1440716953 /nfs/dbraw/zinc/71/69/53/1440716953.db2.gz ACECIQDJUGVIKL-UHFFFAOYSA-N 0 3 345.443 3.209 20 5 EGBDHN C[C@H](NC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000068386777 215303514 /nfs/dbraw/zinc/30/35/14/215303514.db2.gz LGZSNRRWXCNYSU-LBPRGKRZSA-N 0 3 331.372 3.047 20 5 EGBDHN COc1ccc2oc([C@H](C)NCCn3ccc([N+](=O)[O-])n3)c(C)c2c1 ZINC000184324377 235367396 /nfs/dbraw/zinc/36/73/96/235367396.db2.gz KLWIUDSCVMSCIO-LBPRGKRZSA-N 0 3 344.371 3.205 20 5 EGBDHN C[C@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000194005572 240398244 /nfs/dbraw/zinc/39/82/44/240398244.db2.gz ISEWBKIBFRUKGH-JQWIXIFHSA-N 0 3 325.796 3.355 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCc2ccsc2C1 ZINC000132881380 223370812 /nfs/dbraw/zinc/37/08/12/223370812.db2.gz OTLJJTHQQNPFSR-UHFFFAOYSA-N 0 3 345.424 3.352 20 5 EGBDHN CC(C)c1ccc([C@@H](N)CNC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000236720844 242333303 /nfs/dbraw/zinc/33/33/03/242333303.db2.gz FNZWEQNPHFPPKI-SFHVURJKSA-N 0 3 341.411 3.077 20 5 EGBDHN Cc1nn(C)c(N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000267524485 251127533 /nfs/dbraw/zinc/12/75/33/251127533.db2.gz RIDKKVARTNRCKS-BBRMVZONSA-N 0 3 343.431 3.102 20 5 EGBDHN Cc1c(CN2CCC[C@@H](c3nncn3C(C)C)C2)cccc1[N+](=O)[O-] ZINC000118860860 221199185 /nfs/dbraw/zinc/19/91/85/221199185.db2.gz ADCRJZSZRXLJKU-MRXNPFEDSA-N 0 3 343.431 3.455 20 5 EGBDHN COCCOc1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000178644145 533243460 /nfs/dbraw/zinc/24/34/60/533243460.db2.gz OCHWDDUHEXGMFI-AWEZNQCLSA-N 0 3 330.384 3.471 20 5 EGBDHN C[C@@H](NCCCS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178651077 533388102 /nfs/dbraw/zinc/38/81/02/533388102.db2.gz GXNADKLGTMVXBU-CQSZACIVSA-N 0 3 348.424 3.109 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(NC(N)=O)cc1 ZINC000344844793 533408609 /nfs/dbraw/zinc/40/86/09/533408609.db2.gz CLIOFFIQIQRUAC-UKTHLTGXSA-N 0 3 340.383 3.279 20 5 EGBDHN Cc1cc(NC(=O)NC[C@@H](C)N2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000338357490 141106566 /nfs/dbraw/zinc/10/65/66/141106566.db2.gz OVLPWNJQDMVFEF-ZIAGYGMSSA-N 0 3 334.420 3.288 20 5 EGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346212352 141181687 /nfs/dbraw/zinc/18/16/87/141181687.db2.gz WYSMVZIFRSGNNK-NWDGAFQWSA-N 0 3 339.823 3.098 20 5 EGBDHN CCC1(CC)[C@@H](N[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000178365625 144069905 /nfs/dbraw/zinc/06/99/05/144069905.db2.gz FQEPVUSABIZGML-RCBQFDQVSA-N 0 3 349.431 3.105 20 5 EGBDHN COCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000361679068 144349512 /nfs/dbraw/zinc/34/95/12/144349512.db2.gz SUEOTXWNSMNCQD-HNNXBMFYSA-N 0 3 334.416 3.408 20 5 EGBDHN CCO[C@@H]1C[C@@H](O)C12CCN([C@@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000305830272 286296292 /nfs/dbraw/zinc/29/62/92/286296292.db2.gz NWKKZMORXLJQGD-BMGDILEWSA-N 0 3 348.443 3.216 20 5 EGBDHN C[C@H](c1ccco1)N(C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117336967 152095233 /nfs/dbraw/zinc/09/52/33/152095233.db2.gz GGYTZZQKCJGJOX-GFCCVEGCSA-N 0 3 345.355 3.179 20 5 EGBDHN C[C@@H]1[C@H](NCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000310321918 154142338 /nfs/dbraw/zinc/14/23/38/154142338.db2.gz VFPANPQNDCAHDT-DNVCBOLYSA-N 0 3 325.412 3.347 20 5 EGBDHN CCC[C@H](N[C@@H]1CC(=O)N2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000338009994 154601861 /nfs/dbraw/zinc/60/18/61/154601861.db2.gz HGMPLFGGQGJCII-GVDBMIGSSA-N 0 3 331.416 3.179 20 5 EGBDHN CN(C)CCN(Cc1cccc(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000349073202 156342805 /nfs/dbraw/zinc/34/28/05/156342805.db2.gz JXSSASOPQHSZPL-UHFFFAOYSA-N 0 3 331.391 3.298 20 5 EGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000131310041 162397377 /nfs/dbraw/zinc/39/73/77/162397377.db2.gz AKLWPHZGLASYBX-CQSZACIVSA-N 0 3 349.456 3.017 20 5 EGBDHN CSc1ccc([C@H](CNc2ccc([N+](=O)[O-])c(C)n2)N(C)C)cc1 ZINC000338838475 163360522 /nfs/dbraw/zinc/36/05/22/163360522.db2.gz VFHNAMPEESAJRQ-INIZCTEOSA-N 0 3 346.456 3.157 20 5 EGBDHN C[C@@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC000123010394 287063653 /nfs/dbraw/zinc/06/36/53/287063653.db2.gz SAIMTKAIMAITFH-VXGBXAGGSA-N 0 3 328.372 3.497 20 5 EGBDHN CN(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000351656035 165117614 /nfs/dbraw/zinc/11/76/14/165117614.db2.gz QBRRLNSVVDLKOF-INIZCTEOSA-N 0 3 346.362 3.158 20 5 EGBDHN CCN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCOC(C)(C)C1 ZINC000351939972 165158370 /nfs/dbraw/zinc/15/83/70/165158370.db2.gz YFZPZXHNQLQWEW-ZDUSSCGKSA-N 0 3 332.404 3.251 20 5 EGBDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccco1 ZINC000359536995 167182900 /nfs/dbraw/zinc/18/29/00/167182900.db2.gz FTMFPECGEBFGQT-NHYWBVRUSA-N 0 3 349.362 3.186 20 5 EGBDHN O=[N+]([O-])c1ccc(OC2CCN(CCCc3ccncc3)CC2)cc1 ZINC000360439422 167329459 /nfs/dbraw/zinc/32/94/59/167329459.db2.gz XUARIFBUKPGFDC-UHFFFAOYSA-N 0 3 341.411 3.466 20 5 EGBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1c[nH]nc1-c1cccnc1 ZINC000367349302 168211617 /nfs/dbraw/zinc/21/16/17/168211617.db2.gz NZEVTBLDYISOSX-UHFFFAOYSA-N 0 3 337.383 3.054 20 5 EGBDHN COc1cc(CN[C@@H]2CCCO[C@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC000186400957 265529781 /nfs/dbraw/zinc/52/97/81/265529781.db2.gz KFAQLAOUZRTZNP-PBHICJAKSA-N 0 3 340.395 3.426 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2c(cccc2OC)C1 ZINC000192441849 265969058 /nfs/dbraw/zinc/96/90/58/265969058.db2.gz RFVVIBOIFRRWSK-OAHLLOKOSA-N 0 3 342.395 3.259 20 5 EGBDHN Cc1ccccc1C[C@H](CO)N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193335418 266025254 /nfs/dbraw/zinc/02/52/54/266025254.db2.gz PBVHRCSWEXIPHI-YLJYHZDGSA-N 0 3 340.423 3.474 20 5 EGBDHN CCN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1cccc(O)c1 ZINC000269628093 266329728 /nfs/dbraw/zinc/32/97/28/266329728.db2.gz DGFHNKYNYCUUTF-UGSOOPFHSA-N 0 3 330.384 3.417 20 5 EGBDHN COc1cc(CNCCCCCSC)c([N+](=O)[O-])cc1OC ZINC000274830645 267294108 /nfs/dbraw/zinc/29/41/08/267294108.db2.gz UIPHBMSLLHDWNR-UHFFFAOYSA-N 0 3 328.434 3.235 20 5 EGBDHN CC1(C)CCCC[C@@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000119829598 273579000 /nfs/dbraw/zinc/57/90/00/273579000.db2.gz ALOKBHZTWKQAQI-INIZCTEOSA-N 0 3 331.416 3.042 20 5 EGBDHN CC(C)c1ccc([C@H](N)CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000151933719 275749524 /nfs/dbraw/zinc/74/95/24/275749524.db2.gz HMQHROVGIZTEPY-MRXNPFEDSA-N 0 3 327.384 3.148 20 5 EGBDHN CCS[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000286200704 275964463 /nfs/dbraw/zinc/96/44/63/275964463.db2.gz PZUWCYRLDNYMAC-NILFDRSVSA-N 0 3 337.445 3.186 20 5 EGBDHN CCC[C@@H](N[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000358210210 276025770 /nfs/dbraw/zinc/02/57/70/276025770.db2.gz YCELANDIIOJGIM-GDBMZVCRSA-N 0 3 333.432 3.425 20 5 EGBDHN CCC[C@@H](NCCN1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000361184067 276271748 /nfs/dbraw/zinc/27/17/48/276271748.db2.gz JWCFGBODXZGGOE-QGZVFWFLSA-N 0 3 335.448 3.136 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1COc3ccccc3[C@@H]1O)CCC2 ZINC000290341505 276482528 /nfs/dbraw/zinc/48/25/28/276482528.db2.gz PMQOAFJEYUSXJT-AOIWGVFYSA-N 0 3 340.379 3.056 20 5 EGBDHN CC(C)c1ccc(C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000190063344 278033188 /nfs/dbraw/zinc/03/31/88/278033188.db2.gz OUVDJAXLWHQWRP-OCCSQVGLSA-N 0 3 331.416 3.073 20 5 EGBDHN Cc1ccccc1O[C@H]1CCCC[C@H]1NCc1c([N+](=O)[O-])ncn1C ZINC000362029164 281353548 /nfs/dbraw/zinc/35/35/48/281353548.db2.gz RWZQJBXJBRWEGK-PBHICJAKSA-N 0 3 344.415 3.117 20 5 EGBDHN CN(C)CCN(Cc1ccccn1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000349336761 289148898 /nfs/dbraw/zinc/14/88/98/289148898.db2.gz XXFNGZITPZUBIV-UHFFFAOYSA-N 0 3 348.834 3.207 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1 ZINC000187264200 301850501 /nfs/dbraw/zinc/85/05/01/301850501.db2.gz ANUIHNDNGYOLFW-RDTXWAMCSA-N 0 3 341.411 3.324 20 5 EGBDHN Cc1ccc([C@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000067268254 307365266 /nfs/dbraw/zinc/36/52/66/307365266.db2.gz GIYZLOBRCZUGMD-KRWDZBQOSA-N 0 3 341.411 3.244 20 5 EGBDHN CC[C@@H](CCO)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000152659851 307756953 /nfs/dbraw/zinc/75/69/53/307756953.db2.gz HDEXUGVGTKFMHP-ZDUSSCGKSA-N 0 3 348.399 3.362 20 5 EGBDHN CCn1ccc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000414209238 309066866 /nfs/dbraw/zinc/06/68/66/309066866.db2.gz MWVGMHRKGHQFJI-RHSMWYFYSA-N 0 3 328.416 3.312 20 5 EGBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000294681400 308245409 /nfs/dbraw/zinc/24/54/09/308245409.db2.gz BPKGVXIUUXXLOP-ZFWWWQNUSA-N 0 3 341.415 3.091 20 5 EGBDHN O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NCc1nnc(C2CC2)[nH]1 ZINC000294681400 308245410 /nfs/dbraw/zinc/24/54/10/308245410.db2.gz BPKGVXIUUXXLOP-ZFWWWQNUSA-N 0 3 341.415 3.091 20 5 EGBDHN Cc1nccnc1CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000294855942 308264832 /nfs/dbraw/zinc/26/48/32/308264832.db2.gz BQUIRUDVYRCWEQ-QGZVFWFLSA-N 0 3 326.400 3.248 20 5 EGBDHN CC(C)N(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000297999395 308577773 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COc1ccccc1[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000158055312 455264388 /nfs/dbraw/zinc/26/43/88/455264388.db2.gz VHAVVCWIMVOSLO-HNNXBMFYSA-N 0 3 342.395 3.472 20 5 EGBDHN CS[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)(C)C ZINC000612193742 460563893 /nfs/dbraw/zinc/56/38/93/460563893.db2.gz RODPEERTIUWKHH-OAHLLOKOSA-N 0 3 340.445 3.233 20 5 EGBDHN CN(C)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccccc1 ZINC000008318266 453190086 /nfs/dbraw/zinc/19/00/86/453190086.db2.gz UYLXRKBRBMTXIK-GFCCVEGCSA-N 0 3 331.401 3.019 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccccc2)c1 ZINC000022549289 453694267 /nfs/dbraw/zinc/69/42/67/453694267.db2.gz RGLZSROSVYYYIG-PKOBYXMFSA-N 0 3 342.395 3.172 20 5 EGBDHN CCN(CC)Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c1 ZINC000024927042 453751626 /nfs/dbraw/zinc/75/16/26/453751626.db2.gz CZNWKPVDMBKJHH-UHFFFAOYSA-N 0 3 330.388 3.027 20 5 EGBDHN CC(C)[C@H](CNc1ccc([N+](=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000026727789 453804891 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CN(C)Cc1cccc(NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000047453917 454373715 /nfs/dbraw/zinc/37/37/15/454373715.db2.gz CAOREFNXFOIXCS-UHFFFAOYSA-N 0 3 342.399 3.097 20 5 EGBDHN CN(C)Cc1ccccc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048321785 454472633 /nfs/dbraw/zinc/47/26/33/454472633.db2.gz RWZYQDGCPUVVFJ-UHFFFAOYSA-N 0 3 338.367 3.390 20 5 EGBDHN COC(=O)[C@H](C)[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000079937818 454501483 /nfs/dbraw/zinc/50/14/83/454501483.db2.gz CZKWYUUEUYKFKB-KDOFPFPSSA-N 0 3 342.395 3.277 20 5 EGBDHN Cc1cc(NC(=O)C(C)C(F)(F)F)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000079944056 454502326 /nfs/dbraw/zinc/50/23/26/454502326.db2.gz TYFJOWYWGYNZJR-SECBINFHSA-N 0 3 342.277 3.226 20 5 EGBDHN Cc1cccc(OCCN(C)CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000065209104 454538072 /nfs/dbraw/zinc/53/80/72/454538072.db2.gz VZHGCPHHPXWOHK-UHFFFAOYSA-N 0 3 330.384 3.293 20 5 EGBDHN COc1ccc(OCCN2CCCC[C@H](SC)C2)c([N+](=O)[O-])c1 ZINC000134582568 454564227 /nfs/dbraw/zinc/56/42/27/454564227.db2.gz MDAKTDLPPVLAMW-AWEZNQCLSA-N 0 3 340.445 3.200 20 5 EGBDHN COC1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOCC1 ZINC000123159017 454609393 /nfs/dbraw/zinc/60/93/93/454609393.db2.gz KORPNNKFLQXLDV-UHFFFAOYSA-N 0 3 346.383 3.140 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1NC1CCN([C@@H](C)c2ccncc2)CC1 ZINC000092687363 454610562 /nfs/dbraw/zinc/61/05/62/454610562.db2.gz XAQNTWNNVARTHD-AWEZNQCLSA-N 0 3 341.415 3.331 20 5 EGBDHN Cc1cc(N(C)C2CCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000074751534 454629666 /nfs/dbraw/zinc/62/96/66/454629666.db2.gz BWSJNTBITZZEDH-UHFFFAOYSA-N 0 3 340.427 3.399 20 5 EGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000152982859 454749892 /nfs/dbraw/zinc/74/98/92/454749892.db2.gz ZGIYHALWKCBWCA-NWDGAFQWSA-N 0 3 349.456 3.062 20 5 EGBDHN CSc1ccc(C(=O)N2CCC[C@H](N3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107601310 454764272 /nfs/dbraw/zinc/76/42/72/454764272.db2.gz VCICPSXYEBZWIN-AWEZNQCLSA-N 0 3 349.456 3.017 20 5 EGBDHN Cc1ccc(C(=O)NCCN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000124856138 454776914 /nfs/dbraw/zinc/77/69/14/454776914.db2.gz DFIMTCABXWDZFU-CYBMUJFWSA-N 0 3 345.374 3.123 20 5 EGBDHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000144843456 454851199 /nfs/dbraw/zinc/85/11/99/454851199.db2.gz SUUIXDDBFXBTQZ-PBHICJAKSA-N 0 3 347.459 3.420 20 5 EGBDHN Cc1c(NC(=O)CCN(C)[C@@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000128015659 455018542 /nfs/dbraw/zinc/01/85/42/455018542.db2.gz DNGPJSFXJIMANE-AWEZNQCLSA-N 0 3 342.399 3.320 20 5 EGBDHN COC(=O)C1CCC(NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000264366575 455198696 /nfs/dbraw/zinc/19/86/96/455198696.db2.gz FWOGEHADPSVTDR-UHFFFAOYSA-N 0 3 326.780 3.070 20 5 EGBDHN Cc1ccc([C@H](C)N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182212901 455462278 /nfs/dbraw/zinc/46/22/78/455462278.db2.gz DTWCDIJSTSGGTN-RDJZCZTQSA-N 0 3 344.411 3.336 20 5 EGBDHN COc1cccc(N2CCCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000185131346 455507107 /nfs/dbraw/zinc/50/71/07/455507107.db2.gz DMYDQMGMAFQKFT-UHFFFAOYSA-N 0 3 341.411 3.316 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CC[C@H](CO)CC3)cs2)c1 ZINC000246982139 455540542 /nfs/dbraw/zinc/54/05/42/455540542.db2.gz CQLDGIZJAHHPMB-MQMHXKEQSA-N 0 3 347.440 3.359 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN2CCC(O)(c3ccccc3)CC2)cc1 ZINC000185478716 455564155 /nfs/dbraw/zinc/56/41/55/455564155.db2.gz AUQPXCCMXVFCPW-UHFFFAOYSA-N 0 3 326.396 3.121 20 5 EGBDHN CC(C)N1C[C@@H](C)[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000247399051 455595131 /nfs/dbraw/zinc/59/51/31/455595131.db2.gz QYKCGLHHTFZBHP-BXUZGUMPSA-N 0 3 347.440 3.268 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN[C@H](c2nc[nH]n2)C2CCCCC2)cc1 ZINC000292295731 455621706 /nfs/dbraw/zinc/62/17/06/455621706.db2.gz VLKPOROYKMQGQS-INIZCTEOSA-N 0 3 329.404 3.167 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CNCC3(CO)CCCC3)o2)c1 ZINC000185808402 455626920 /nfs/dbraw/zinc/62/69/20/455626920.db2.gz YYFJVIRJGAFIIY-UHFFFAOYSA-N 0 3 330.384 3.497 20 5 EGBDHN CCS[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284823308 455747159 /nfs/dbraw/zinc/74/71/59/455747159.db2.gz AFZYVVUDWZJBLR-OSAQELSMSA-N 0 3 337.445 3.186 20 5 EGBDHN Cc1cc(C)cc([C@@H](O)CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285153980 455796901 /nfs/dbraw/zinc/79/69/01/455796901.db2.gz MHCXHTDJVMSFQU-ACJLOTCBSA-N 0 3 329.400 3.178 20 5 EGBDHN C[C@H]1C[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CN1C1CC1 ZINC000278356813 455827945 /nfs/dbraw/zinc/82/79/45/455827945.db2.gz JYJCKZRULVIUON-DTWKUNHWSA-N 0 3 330.310 3.046 20 5 EGBDHN COc1ccc(CN(C)CCCN(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000285568959 455872346 /nfs/dbraw/zinc/87/23/46/455872346.db2.gz HTLHVOIUGOUUQV-UHFFFAOYSA-N 0 3 347.415 3.150 20 5 EGBDHN C[C@H]1C[C@@H](c2ccccc2)N(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000285805715 455919873 /nfs/dbraw/zinc/91/98/73/455919873.db2.gz USWLVHRBUOZZET-GUYCJALGSA-N 0 3 339.395 3.277 20 5 EGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCc1n[nH]c(C2CC2)n1 ZINC000296435345 455937714 /nfs/dbraw/zinc/93/77/14/455937714.db2.gz MAPKCCUWVJOFFH-LBPRGKRZSA-N 0 3 347.444 3.251 20 5 EGBDHN CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C2CC2)[n-]1 ZINC000296435345 455937718 /nfs/dbraw/zinc/93/77/18/455937718.db2.gz MAPKCCUWVJOFFH-LBPRGKRZSA-N 0 3 347.444 3.251 20 5 EGBDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000198394106 456006824 /nfs/dbraw/zinc/00/68/24/456006824.db2.gz VSHIFDLFTMNWOC-UHFFFAOYSA-N 0 3 342.399 3.191 20 5 EGBDHN CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(N2CCCCC2)CC1 ZINC000286496349 456048641 /nfs/dbraw/zinc/04/86/41/456048641.db2.gz VQANMVYJGSMQFT-UHFFFAOYSA-N 0 3 331.416 3.252 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCN(C(C)C)CC1 ZINC000289855014 456156896 /nfs/dbraw/zinc/15/68/96/456156896.db2.gz QQUPLBRBCNDVTR-UHFFFAOYSA-N 0 3 334.420 3.105 20 5 EGBDHN CCOc1ccc([C@H](C)N[C@@H]2CN(C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000271203325 456171917 /nfs/dbraw/zinc/17/19/17/456171917.db2.gz ZSHAHOBOKOVLOT-HEHGZKQESA-N 0 3 333.432 3.127 20 5 EGBDHN Cc1ccc(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000236732535 456176166 /nfs/dbraw/zinc/17/61/66/456176166.db2.gz LROFKGICUTWCCF-KRWDZBQOSA-N 0 3 341.411 3.456 20 5 EGBDHN CCN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302047191 456275749 /nfs/dbraw/zinc/27/57/49/456275749.db2.gz LMNNCRPLVXPDLZ-GFCCVEGCSA-N 0 3 329.347 3.483 20 5 EGBDHN CN(C)C1(CNC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CCC1 ZINC000275812088 456320027 /nfs/dbraw/zinc/32/00/27/456320027.db2.gz DKKKGHWOSNFHFH-UHFFFAOYSA-N 0 3 349.434 3.308 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@]2(C1)CCCN(C)C2 ZINC000297955646 456333202 /nfs/dbraw/zinc/33/32/02/456333202.db2.gz XNKCMJBNNBKKOS-GOSISDBHSA-N 0 3 346.431 3.161 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000281964714 456374855 /nfs/dbraw/zinc/37/48/55/456374855.db2.gz RBHOGMGFVBDWOH-TZMCWYRMSA-N 0 3 332.429 3.374 20 5 EGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282151386 456426814 /nfs/dbraw/zinc/42/68/14/456426814.db2.gz FRMOWOXCDBPBOV-WMLDXEAASA-N 0 3 340.427 3.500 20 5 EGBDHN COc1cc(CN[C@@H]2CC2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000340421359 456450652 /nfs/dbraw/zinc/45/06/52/456450652.db2.gz VIZAWBJXIRCACZ-CYBMUJFWSA-N 0 3 348.321 3.433 20 5 EGBDHN CCC(CC)CN(CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000303655522 456475518 /nfs/dbraw/zinc/47/55/18/456475518.db2.gz VGOXRAOVOWNGOW-UHFFFAOYSA-N 0 3 337.420 3.300 20 5 EGBDHN CC[C@H](C)N[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccco1 ZINC000343264798 456493833 /nfs/dbraw/zinc/49/38/33/456493833.db2.gz LWCZLQORPOCRAQ-QWRGUYRKSA-N 0 3 349.416 3.438 20 5 EGBDHN CCO[C@@H]1COCC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353183137 456544404 /nfs/dbraw/zinc/54/44/04/456544404.db2.gz HCSCDCMTXZGDEO-MAUKXSAKSA-N 0 3 346.383 3.138 20 5 EGBDHN C[C@@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)N1[C@H](C)CC[C@@H]1C ZINC000276901190 456615322 /nfs/dbraw/zinc/61/53/22/456615322.db2.gz JCLGKHLITMSKQX-AXFHLTTASA-N 0 3 331.376 3.161 20 5 EGBDHN Cc1nc(CCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)c(C)o1 ZINC000340774397 456679055 /nfs/dbraw/zinc/67/90/55/456679055.db2.gz GZYJUQVYVXSERH-UHFFFAOYSA-N 0 3 326.356 3.133 20 5 EGBDHN CCS[C@H]1CCC[C@@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000348477873 456704153 /nfs/dbraw/zinc/70/41/53/456704153.db2.gz KQUYLBACNAPRMR-JSGCOSHPSA-N 0 3 337.445 3.106 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000340902065 456750340 /nfs/dbraw/zinc/75/03/40/456750340.db2.gz LSCIRZCIZJIWOE-WFASDCNBSA-N 0 3 331.420 3.223 20 5 EGBDHN COc1ccc(-c2ccc(CN(C)[C@@H]3CCC[C@H]3O)o2)c([N+](=O)[O-])c1 ZINC000348562734 456767113 /nfs/dbraw/zinc/76/71/13/456767113.db2.gz ZYZSVDNNCMUVJF-NVXWUHKLSA-N 0 3 346.383 3.209 20 5 EGBDHN CN(C)C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000338352050 456782328 /nfs/dbraw/zinc/78/23/28/456782328.db2.gz FUDPRUWCLTXUMU-INIZCTEOSA-N 0 3 346.362 3.158 20 5 EGBDHN Cc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000353737317 456880162 /nfs/dbraw/zinc/88/01/62/456880162.db2.gz ILSPKXPFKHGRNA-MRXNPFEDSA-N 0 3 326.400 3.293 20 5 EGBDHN CC[C@H](N[C@@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353788520 456906022 /nfs/dbraw/zinc/90/60/22/456906022.db2.gz BNWBBJBOPKWBDG-UXLLHSPISA-N 0 3 333.432 3.329 20 5 EGBDHN CC[C@@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N(CC)CC ZINC000359671996 457109289 /nfs/dbraw/zinc/10/92/89/457109289.db2.gz CVPKTWFYOYGNMB-KRWDZBQOSA-N 0 3 333.432 3.206 20 5 EGBDHN Cc1c(CNC(=O)[C@@H](C(C)C)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000331131124 457136175 /nfs/dbraw/zinc/13/61/75/457136175.db2.gz QDBHUVWAPJAOPI-QGZVFWFLSA-N 0 3 333.432 3.030 20 5 EGBDHN CC(C)CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000346780303 457165735 /nfs/dbraw/zinc/16/57/35/457165735.db2.gz PKQDMFYGBMEAOU-UHFFFAOYSA-N 0 3 333.432 3.484 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1CNC[C@@H](CO)c1ccccc1Cl ZINC000342272376 457203018 /nfs/dbraw/zinc/20/30/18/457203018.db2.gz DWMKPFMKAFSSJE-AWEZNQCLSA-N 0 3 334.803 3.422 20 5 EGBDHN CCN1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000354417754 457209261 /nfs/dbraw/zinc/20/92/61/457209261.db2.gz CNWIWCXNZKZFOU-YPMHNXCESA-N 0 3 339.823 3.193 20 5 EGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCCN1C1CCCC1 ZINC000331722231 457238480 /nfs/dbraw/zinc/23/84/80/457238480.db2.gz KBFDJCTWVCVBIJ-GOSISDBHSA-N 0 3 345.443 3.350 20 5 EGBDHN Cc1cc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000342373399 457263608 /nfs/dbraw/zinc/26/36/08/457263608.db2.gz MFLQATJINILJIY-OAHLLOKOSA-N 0 3 341.411 3.154 20 5 EGBDHN Cc1cc(C(=O)N[C@H](C)CN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000342404890 457283352 /nfs/dbraw/zinc/28/33/52/457283352.db2.gz AGONTRXVPQAJQX-OAHLLOKOSA-N 0 3 341.411 3.154 20 5 EGBDHN CCOc1ccc(NC(=O)CN(C)[C@@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000357045320 457296146 /nfs/dbraw/zinc/29/61/46/457296146.db2.gz WKIMWOCUPUQSKG-LBPRGKRZSA-N 0 3 335.404 3.052 20 5 EGBDHN C[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000347296569 457337555 /nfs/dbraw/zinc/33/75/55/457337555.db2.gz FVMSAFBGZCNUJQ-RYUDHWBXSA-N 0 3 338.383 3.118 20 5 EGBDHN C[C@H](NCc1c([N+](=O)[O-])ncn1C)C1(c2ccccc2)CCCC1 ZINC000360799617 457360303 /nfs/dbraw/zinc/36/03/03/457360303.db2.gz VGYKURXWEPVUML-AWEZNQCLSA-N 0 3 328.416 3.318 20 5 EGBDHN CCOCCO[C@@H]1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347347146 457366446 /nfs/dbraw/zinc/36/64/46/457366446.db2.gz VTWYPIILGGYJCH-HAZIXKIPSA-N 0 3 334.416 3.126 20 5 EGBDHN CN(C[C@H](O)COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])C1CC1 ZINC000357457091 457539980 /nfs/dbraw/zinc/53/99/80/457539980.db2.gz VERABISDZMPGFU-KRWDZBQOSA-N 0 3 342.395 3.096 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN(Cc2ccccc2)Cc2ccccc2)c1 ZINC000357675135 457651121 /nfs/dbraw/zinc/65/11/21/457651121.db2.gz NWIIMRLPZMDKJK-UHFFFAOYSA-N 0 3 336.395 3.494 20 5 EGBDHN Cc1cnc(NC[C@@H]2CCCN2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000361259616 457669897 /nfs/dbraw/zinc/66/98/97/457669897.db2.gz CFRWKAGPHKAMOA-INIZCTEOSA-N 0 3 326.400 3.375 20 5 EGBDHN O=[N+]([O-])c1ccccc1C[C@@H](NCc1cn2ccsc2n1)C1CC1 ZINC000358081106 457772509 /nfs/dbraw/zinc/77/25/09/457772509.db2.gz KQLUHBKIAGQSDQ-OAHLLOKOSA-N 0 3 342.424 3.415 20 5 EGBDHN C[C@@H](NCCCN(C(=O)C1CCC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000358089265 457779398 /nfs/dbraw/zinc/77/93/98/457779398.db2.gz SZNNAVLCZJDOHQ-CQSZACIVSA-N 0 3 345.443 3.427 20 5 EGBDHN CCCc1nc(C)c(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000426350793 457808587 /nfs/dbraw/zinc/80/85/87/457808587.db2.gz YVTBYPNXXUKTRH-UONOGXRCSA-N 0 3 347.419 3.314 20 5 EGBDHN O=C(CCN1CCC[C@@H]1c1ccc[nH]1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411342614 457861641 /nfs/dbraw/zinc/86/16/41/457861641.db2.gz SUHPYTLDSUPAMK-MRXNPFEDSA-N 0 3 328.372 3.089 20 5 EGBDHN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C ZINC000411409828 457878533 /nfs/dbraw/zinc/87/85/33/457878533.db2.gz RIZKRVAWWYGXNC-KJWYOANISA-N 0 3 345.443 3.077 20 5 EGBDHN Cc1c(C(=O)N(CCN(C)C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000458209335 457970218 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CC(C)(C)N1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000520150304 459034198 /nfs/dbraw/zinc/03/41/98/459034198.db2.gz ASSPULVQEIJGEN-UHFFFAOYSA-N 0 3 345.399 3.287 20 5 EGBDHN O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cc([O-])cc(F)c3)c2c1 ZINC000557499220 459078042 /nfs/dbraw/zinc/07/80/42/459078042.db2.gz NBOMFUKREVQGQR-UHFFFAOYSA-N 0 3 329.331 3.253 20 5 EGBDHN CCCN(CCN1CCCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000558461165 459163035 /nfs/dbraw/zinc/16/30/35/459163035.db2.gz WYHIFBPLWGUVNG-UHFFFAOYSA-N 0 3 348.447 3.002 20 5 EGBDHN CC[C@@H](C)[C@@H](C)N(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000532963210 459166343 /nfs/dbraw/zinc/16/63/43/459166343.db2.gz VTSLOFAXYNMRGL-ZIAGYGMSSA-N 0 3 345.443 3.383 20 5 EGBDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594961268 459194051 /nfs/dbraw/zinc/19/40/51/459194051.db2.gz MLHXNTGQBCYBDX-ZZPLEAIBSA-N 0 3 330.837 3.028 20 5 EGBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000590754139 459204444 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ZINC000611271806 460324365 /nfs/dbraw/zinc/32/43/65/460324365.db2.gz XKJDHRSAQUOUSD-POHAHGRESA-N 0 3 326.396 3.145 20 5 EGBDHN Cc1ccncc1[C@H](C)N[C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000611299722 460332357 /nfs/dbraw/zinc/33/23/57/460332357.db2.gz DUWWHZMGUPYXCS-KGLIPLIRSA-N 0 3 342.399 3.366 20 5 EGBDHN Cc1ccncc1[C@H](C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000611939049 460492164 /nfs/dbraw/zinc/49/21/64/460492164.db2.gz NYUVXGPPYOFPCI-AWEZNQCLSA-N 0 3 342.399 3.286 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000289898706 518203186 /nfs/dbraw/zinc/20/31/86/518203186.db2.gz QWTSBCPSQRNFSV-YRCFHQPNSA-N 0 3 338.407 3.364 20 5 EGBDHN CC(C)Oc1cccc(CNC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000731677872 575199316 /nfs/dbraw/zinc/19/93/16/575199316.db2.gz AOPLZJSIDQFUTJ-GOSISDBHSA-N 0 3 330.384 3.205 20 5 EGBDHN Cc1cc(Cl)c(C(=O)N[C@H]2CCCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000832295760 1292984679 /nfs/dbraw/zinc/98/46/79/1292984679.db2.gz HKMXINDOGLDODJ-LBPRGKRZSA-N 0 3 339.823 3.159 20 5 EGBDHN CCc1cnc(CNC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000130676321 1293664989 /nfs/dbraw/zinc/66/49/89/1293664989.db2.gz JNNGEIVGVXPPRM-UHFFFAOYSA-N 0 3 346.456 3.372 20 5 EGBDHN CN(C)[C@H](CNc1nc2ccccn2c1[N+](=O)[O-])c1cccs1 ZINC000137647912 1293830244 /nfs/dbraw/zinc/83/02/44/1293830244.db2.gz LTGLCFHIIGDYAU-LLVKDONJSA-N 0 3 331.401 3.019 20 5 EGBDHN O=[N+]([O-])c1cn(CN2CCC[C@H]2C2CCCC2)nc1-c1ccncc1 ZINC000172897051 1294448431 /nfs/dbraw/zinc/44/84/31/1294448431.db2.gz RIZJQVMPVPVEBH-INIZCTEOSA-N 0 3 341.415 3.465 20 5 EGBDHN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCN(C2CCCCC2)CC1 ZINC000255884439 1296574766 /nfs/dbraw/zinc/57/47/66/1296574766.db2.gz LJPYHNARZQCERA-FLIBITNWSA-N 0 3 343.427 3.085 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1([S@@](C)=O)CCC1 ZINC000872067577 1296713991 /nfs/dbraw/zinc/71/39/91/1296713991.db2.gz BIWIVZNKDVYLDK-KPWVOAKYSA-N 0 3 342.486 3.269 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCc1cnc(C)cn1 ZINC000872077265 1296720878 /nfs/dbraw/zinc/72/08/78/1296720878.db2.gz DOXXJHPOIOOUCG-GFCCVEGCSA-N 0 3 332.429 3.308 20 5 EGBDHN C[C@@H]1[C@@H](NCc2ccccc2[N+](=O)[O-])CCCN1C(=O)OC(C)(C)C ZINC000310816833 1297101468 /nfs/dbraw/zinc/10/14/68/1297101468.db2.gz FARZJCWXUNHKTG-HIFRSBDPSA-N 0 3 349.431 3.472 20 5 EGBDHN C[C@H](NC[C@H]1CCN1C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000724951111 1298351284 /nfs/dbraw/zinc/35/12/84/1298351284.db2.gz AESFQZBDNXURQX-SWLSCSKDSA-N 0 3 335.404 3.255 20 5 EGBDHN Cc1ccc([C@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000754667731 1300187570 /nfs/dbraw/zinc/18/75/70/1300187570.db2.gz AQLOXEBLPJRHFA-SWLSCSKDSA-N 0 3 345.424 3.421 20 5 EGBDHN Cc1ccc([C@H](C)N[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)s1 ZINC000754667732 1300187727 /nfs/dbraw/zinc/18/77/27/1300187727.db2.gz AQLOXEBLPJRHFA-WFASDCNBSA-N 0 3 345.424 3.421 20 5 EGBDHN O=[N+]([O-])c1ccc(Cl)cc1Cn1cc(CNC2CCCCC2)nn1 ZINC000881352408 1301537984 /nfs/dbraw/zinc/53/79/84/1301537984.db2.gz HFNMHPHNZJKHRA-UHFFFAOYSA-N 0 3 349.822 3.310 20 5 EGBDHN O=[N+]([O-])c1ccc(CNCCOCC(F)(F)C(F)F)cc1Cl ZINC000775146275 1303915108 /nfs/dbraw/zinc/91/51/08/1303915108.db2.gz OQKYRCLRHKGYBC-UHFFFAOYSA-N 0 3 344.692 3.255 20 5 EGBDHN COC(=O)Cc1ccccc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000775549640 1303982130 /nfs/dbraw/zinc/98/21/30/1303982130.db2.gz NFTCKBODBPNGOH-CQSZACIVSA-N 0 3 342.395 3.470 20 5 EGBDHN CC(C)COc1ccccc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776278820 1304127812 /nfs/dbraw/zinc/12/78/12/1304127812.db2.gz WAHWFCAPORXSFU-GOSISDBHSA-N 0 3 344.411 3.453 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3ccc(CF)cc3)C2)nc1 ZINC000777618180 1304326493 /nfs/dbraw/zinc/32/64/93/1304326493.db2.gz VQESLIOIBUDSSB-HNNXBMFYSA-N 0 3 330.363 3.146 20 5 EGBDHN O=C(OCc1cc([N+](=O)[O-])ccc1Cl)C1CCN(C2CC2)CC1 ZINC000783594833 1305114149 /nfs/dbraw/zinc/11/41/49/1305114149.db2.gz DSMUVCIEIVENFS-UHFFFAOYSA-N 0 3 338.791 3.166 20 5 EGBDHN COCCN(Cn1nc(C)c2ccc([N+](=O)[O-])cc21)[C@H]1CC[C@H](C)C1 ZINC000790479570 1306333144 /nfs/dbraw/zinc/33/31/44/1306333144.db2.gz PVUJCZZINQTGBD-ZFWWWQNUSA-N 0 3 346.431 3.347 20 5 EGBDHN COCCN(Cn1nc(C)c2cc([N+](=O)[O-])ccc21)[C@H]1CC[C@@H](C)C1 ZINC000790481625 1306336256 /nfs/dbraw/zinc/33/62/56/1306336256.db2.gz XLNRPEQQIPTITI-HIFRSBDPSA-N 0 3 346.431 3.347 20 5 EGBDHN Cc1c(CN(C)CCc2ccccc2[N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000796114554 1309911061 /nfs/dbraw/zinc/91/10/61/1309911061.db2.gz ULIATZOXSQRCQJ-UHFFFAOYSA-N 0 3 329.356 3.486 20 5 EGBDHN C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1O ZINC000897684665 1310433577 /nfs/dbraw/zinc/43/35/77/1310433577.db2.gz UVGJVWYFYAXGMS-MEBBXXQBSA-N 0 3 336.775 3.321 20 5 EGBDHN CN(C)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000804326116 1317219740 /nfs/dbraw/zinc/21/97/40/1317219740.db2.gz HOULKCWXOQGWQL-HNNXBMFYSA-N 0 3 348.334 3.357 20 5 EGBDHN CC[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000804614136 1317266875 /nfs/dbraw/zinc/26/68/75/1317266875.db2.gz VAEOLIXEYLGLOU-KRWDZBQOSA-N 0 3 340.427 3.278 20 5 EGBDHN O=[N+]([O-])c1cc(-c2cc(CNC3CC3)on2)ccc1N1CCCC1 ZINC000901397685 1317417941 /nfs/dbraw/zinc/41/79/41/1317417941.db2.gz DDHSUTSVDCFNTH-UHFFFAOYSA-N 0 3 328.372 3.102 20 5 EGBDHN C[C@@H](NCC1(NC(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000901643679 1317457227 /nfs/dbraw/zinc/45/72/27/1317457227.db2.gz DYUKGPRTKGBPSH-GFCCVEGCSA-N 0 3 335.404 3.303 20 5 EGBDHN CC(COC(=O)c1cnn(C(C)(C)C)c1-c1ccccc1)[N+](=O)[O-] ZINC000813099860 1318499244 /nfs/dbraw/zinc/49/92/44/1318499244.db2.gz FPAZJKNPAORLIL-GFCCVEGCSA-N 0 3 331.372 3.127 20 5 EGBDHN CC(COC(=O)c1cc2cc(Br)ccc2o1)[N+](=O)[O-] ZINC000813106762 1318499812 /nfs/dbraw/zinc/49/98/12/1318499812.db2.gz HOAYCMCPAKDLFW-SSDOTTSWSA-N 0 3 328.118 3.017 20 5 EGBDHN CC(COC(=O)c1ccc2nc(-c3ccccc3)oc2c1)[N+](=O)[O-] ZINC000813104292 1318500141 /nfs/dbraw/zinc/50/01/41/1318500141.db2.gz LSQQTPXRVIKEBR-LLVKDONJSA-N 0 3 326.308 3.317 20 5 EGBDHN CC(COC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1)[N+](=O)[O-] ZINC000813115251 1318501825 /nfs/dbraw/zinc/50/18/25/1318501825.db2.gz NTSGWYAMKSPKDI-OLZOCXBDSA-N 0 3 330.340 3.044 20 5 EGBDHN CC(COC(=O)Cc1csc(-c2ccccc2Cl)n1)[N+](=O)[O-] ZINC000813114185 1318501912 /nfs/dbraw/zinc/50/19/12/1318501912.db2.gz ZRZWQZGIXVQESB-SECBINFHSA-N 0 3 340.788 3.214 20 5 EGBDHN Cc1ccsc1C(=O)N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001021780216 1318679794 /nfs/dbraw/zinc/67/97/94/1318679794.db2.gz UBZKKQBBUQOOQA-OKILXGFUSA-N 0 3 345.424 3.015 20 5 EGBDHN CN(C)Cc1ccccc1NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930125610 1328791490 /nfs/dbraw/zinc/79/14/90/1328791490.db2.gz IVNSGWOGEMSOEY-DLBZAZTESA-N 0 3 339.395 3.399 20 5 EGBDHN CCc1cccc2c1OCC[C@H]2NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818997627 1319609736 /nfs/dbraw/zinc/60/97/36/1319609736.db2.gz HLMGZPXRAQPUMR-QZTJIDSGSA-N 0 3 342.395 3.304 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CCCOc3c(F)cccc32)c1 ZINC000819213991 1319671100 /nfs/dbraw/zinc/67/11/00/1319671100.db2.gz NBLJOZDEHMHXIA-IRXDYDNUSA-N 0 3 346.358 3.271 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2cc(Cl)cc3c2OCC3)c1 ZINC000819230451 1319674569 /nfs/dbraw/zinc/67/45/69/1319674569.db2.gz YMTJCDVQUNBDST-MRXNPFEDSA-N 0 3 348.786 3.006 20 5 EGBDHN COc1ccc(C[C@@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000840726609 1321136554 /nfs/dbraw/zinc/13/65/54/1321136554.db2.gz CGWXSRSXEJIYOO-LLVKDONJSA-N 0 3 335.791 3.373 20 5 EGBDHN COc1ccc(C[C@H](C)NCc2cc([N+](=O)[O-])ccc2Cl)cn1 ZINC000840726610 1321136882 /nfs/dbraw/zinc/13/68/82/1321136882.db2.gz CGWXSRSXEJIYOO-NSHDSACASA-N 0 3 335.791 3.373 20 5 EGBDHN Cc1nc(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845872625 1321747066 /nfs/dbraw/zinc/74/70/66/1321747066.db2.gz KNYLWAATZNWGAX-PSLIRLAXSA-N 0 3 338.360 3.083 20 5 EGBDHN COCCC[C@H](C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873088 1321747253 /nfs/dbraw/zinc/74/72/53/1321747253.db2.gz BLADCXRDMFIUNS-ZOWXZIJZSA-N 0 3 327.352 3.138 20 5 EGBDHN CC([C@H](OC(=O)CCc1ccncc1)c1ccccc1F)[N+](=O)[O-] ZINC000845874629 1321748303 /nfs/dbraw/zinc/74/83/03/1321748303.db2.gz IEKQMPONSGYFOT-PXAZEXFGSA-N 0 3 332.331 3.103 20 5 EGBDHN CC(C)n1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845879274 1321749297 /nfs/dbraw/zinc/74/92/97/1321749297.db2.gz IHCNZQUDHVUTQT-ABAIWWIYSA-N 0 3 335.335 3.166 20 5 EGBDHN CC([C@@H](OC(=O)C[C@@H](C)c1cnn(C)c1)c1ccccc1F)[N+](=O)[O-] ZINC000845882954 1321750386 /nfs/dbraw/zinc/75/03/86/1321750386.db2.gz QNZKUWUKRHYTAF-BWACUDIHSA-N 0 3 349.362 3.003 20 5 EGBDHN Cc1cc(Cl)c(C(=O)N(C)CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000846662150 1321799452 /nfs/dbraw/zinc/79/94/52/1321799452.db2.gz LEICYFLGRIKKDS-UHFFFAOYSA-N 0 3 339.823 3.115 20 5 EGBDHN CC(C)OC(=O)C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000847083143 1321839587 /nfs/dbraw/zinc/83/95/87/1321839587.db2.gz MSLLGGKBIPQSEZ-CQSZACIVSA-N 0 3 326.368 3.190 20 5 EGBDHN CC(C)CC1(NCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000852682471 1323226130 /nfs/dbraw/zinc/22/61/30/1323226130.db2.gz CBXMCFQIJWNCCD-UHFFFAOYSA-N 0 3 325.796 3.355 20 5 EGBDHN COc1ccc(NC(=O)CCN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000932177727 1329791183 /nfs/dbraw/zinc/79/11/83/1329791183.db2.gz PZDMIBHNPFOTLO-CYBMUJFWSA-N 0 3 343.383 3.283 20 5 EGBDHN CN(C)CCN(C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000932693558 1329833970 /nfs/dbraw/zinc/83/39/70/1329833970.db2.gz SVPWCNIXMOBUTO-ZWKOTPCHSA-N 0 3 345.443 3.031 20 5 EGBDHN CN(Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C1CC(O)C1 ZINC001116583947 1370940918 /nfs/dbraw/zinc/94/09/18/1370940918.db2.gz ZMPCRAWLKKABBC-UHFFFAOYSA-N 0 3 336.775 3.463 20 5 EGBDHN Cc1n[nH]c(=O)c(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1C ZINC001117965947 1371114766 /nfs/dbraw/zinc/11/47/66/1371114766.db2.gz KOERTUJVGROQON-KRWDZBQOSA-N 0 3 342.399 3.265 20 5 EGBDHN COc1ccc2c(c1)c(C(=O)OCC(C)[N+](=O)[O-])c(C)n2C1CC1 ZINC001122968474 1372350663 /nfs/dbraw/zinc/35/06/63/1372350663.db2.gz PDJFRXWALZYFEE-SNVBAGLBSA-N 0 3 332.356 3.115 20 5 EGBDHN Cc1c(Cl)cccc1C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001127876258 1373194184 /nfs/dbraw/zinc/19/41/84/1373194184.db2.gz XBIVZMUHHKNLQG-UHFFFAOYSA-N 0 3 347.802 3.076 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3CC[C@@H]4NCCO[C@H]43)cc2)cc1 ZINC001218150228 1373569804 /nfs/dbraw/zinc/56/98/04/1373569804.db2.gz FZPAZXTYRWKHFD-GBESFXJTSA-N 0 3 340.379 3.160 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(O[C@@H]2CNCc3ccccc32)cc1[N+](=O)[O-] ZINC001218492599 1373625514 /nfs/dbraw/zinc/62/55/14/1373625514.db2.gz ZKKVLNQPMSDVDB-MRXNPFEDSA-N 0 3 329.312 3.035 20 5 EGBDHN CC1(C)CN(Cc2ccccc2)CC[C@@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226731846 1375319616 /nfs/dbraw/zinc/31/96/16/1375319616.db2.gz QMONRABKBHMOGJ-INIZCTEOSA-N 0 3 342.399 3.064 20 5 EGBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1cnccc1[N+](=O)[O-] ZINC001228880831 1375704807 /nfs/dbraw/zinc/70/48/07/1375704807.db2.gz XQRHMNAKPLPXCV-KDOFPFPSSA-N 0 3 327.384 3.279 20 5 EGBDHN Cc1ccnc([N+](=O)[O-])c1O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001233551687 1376668265 /nfs/dbraw/zinc/66/82/65/1376668265.db2.gz RCZNSNGUOJLLFG-MRXNPFEDSA-N 0 3 327.384 3.342 20 5 EGBDHN O=C(CC1=CCCCC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155749333 1380488914 /nfs/dbraw/zinc/48/89/14/1380488914.db2.gz VLWWWKTYPZHCAG-UHFFFAOYSA-N 0 3 331.416 3.081 20 5 EGBDHN CC1(CC(=O)NCCCNCc2csc([N+](=O)[O-])c2)CCCC1 ZINC001157461870 1380909574 /nfs/dbraw/zinc/90/95/74/1380909574.db2.gz MXUABOLUYOFQIO-UHFFFAOYSA-N 0 3 339.461 3.223 20 5 EGBDHN CN1CCC(N(c2cc(Cl)cc([N+](=O)[O-])n2)C2CCCC2)CC1 ZINC001158487801 1381265323 /nfs/dbraw/zinc/26/53/23/1381265323.db2.gz DCNAEGORAVQKMH-UHFFFAOYSA-N 0 3 338.839 3.486 20 5 EGBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1(C2CCC2)CCC1 ZINC001163455625 1383055444 /nfs/dbraw/zinc/05/54/44/1383055444.db2.gz LEBFYPYZZPGZNW-UHFFFAOYSA-N 0 3 345.443 3.161 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@H]1CCCC[C@@]12CNCCO2 ZINC001163650730 1383095632 /nfs/dbraw/zinc/09/56/32/1383095632.db2.gz RKAIBGBFFAFNKU-MAUKXSAKSA-N 0 3 333.432 3.233 20 5 EGBDHN COc1ccc(C[C@H](C)N[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC001170305624 1384286909 /nfs/dbraw/zinc/28/69/09/1384286909.db2.gz OFKREEIMENRPCA-LRDDRELGSA-N 0 3 328.368 3.258 20 5 EGBDHN COc1ccc(C[C@@H](C)NCc2ccncc2Cl)c([N+](=O)[O-])c1 ZINC001170313009 1384288566 /nfs/dbraw/zinc/28/85/66/1384288566.db2.gz IHWNSPAHSGCBBI-LLVKDONJSA-N 0 3 335.791 3.373 20 5 EGBDHN C[C@@H]1[C@H](O)CCN1Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC001344076012 1390754293 /nfs/dbraw/zinc/75/42/93/1390754293.db2.gz QZZVGILPRSSSEM-MEBBXXQBSA-N 0 3 336.775 3.463 20 5 EGBDHN C[C@@H]1CN(c2cc(Cl)nc3ccc([N+](=O)[O-])cc32)[C@@H](C)CN1C ZINC001164637596 719238651 /nfs/dbraw/zinc/23/86/51/719238651.db2.gz WNZNDQPVWHPOTN-MNOVXSKESA-N 0 3 334.807 3.325 20 5 EGBDHN Cc1ccc(C(=O)N(CC(C)C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000053231786 214170745 /nfs/dbraw/zinc/17/07/45/214170745.db2.gz YBGTWLCEETYPIU-UHFFFAOYSA-N 0 3 333.432 3.096 20 5 EGBDHN C[C@@H](NC(C)(C)CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000069391277 215399379 /nfs/dbraw/zinc/39/93/79/215399379.db2.gz RAYGUTMVWXRIJD-CQSZACIVSA-N 0 3 341.411 3.454 20 5 EGBDHN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000187168209 236135096 /nfs/dbraw/zinc/13/50/96/236135096.db2.gz DTJOLRVGDKVWFG-GUYCJALGSA-N 0 3 327.384 3.016 20 5 EGBDHN COc1cc(C(=O)Nc2ccc(C)cc2CN(C)C)ccc1[N+](=O)[O-] ZINC000072840641 216314913 /nfs/dbraw/zinc/31/49/13/216314913.db2.gz BYAOSXJZBLJXFT-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000191353794 239060935 /nfs/dbraw/zinc/06/09/35/239060935.db2.gz YRCSTDIIPQRLQA-AWEZNQCLSA-N 0 3 334.420 3.017 20 5 EGBDHN CC(C)(C)[C@@H](CCO)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000231073667 242265097 /nfs/dbraw/zinc/26/50/97/242265097.db2.gz SZFLFHUEFIUAKC-CYBMUJFWSA-N 0 3 345.237 3.244 20 5 EGBDHN Cc1ccc(CN[C@H](CO)Cc2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000265258049 247346780 /nfs/dbraw/zinc/34/67/80/247346780.db2.gz QBXSGXGWFYJXCA-INIZCTEOSA-N 0 3 339.395 3.078 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000378506918 169132759 /nfs/dbraw/zinc/13/27/59/169132759.db2.gz SMCNZIFOCCAEEX-HZPDHXFCSA-N 0 3 348.443 3.482 20 5 EGBDHN C[C@@H](NCCn1cc([N+](=O)[O-])cn1)c1cccc(C(F)(F)F)c1 ZINC000090539197 217937278 /nfs/dbraw/zinc/93/72/78/217937278.db2.gz HLXMDLJHZJHHNT-SNVBAGLBSA-N 0 3 328.294 3.161 20 5 EGBDHN COc1ccc(COCCN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000091741154 218057008 /nfs/dbraw/zinc/05/70/08/218057008.db2.gz PVRFYGFSEVQUBM-CQSZACIVSA-N 0 3 330.384 3.471 20 5 EGBDHN CN(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000010017787 211141386 /nfs/dbraw/zinc/14/13/86/211141386.db2.gz OUTCHVBMNDKKTD-MRXNPFEDSA-N 0 3 347.802 3.281 20 5 EGBDHN Cc1c(NC(=O)CCN2CCS[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000118417157 221147974 /nfs/dbraw/zinc/14/79/74/221147974.db2.gz TYOXFVRRUHTFIW-STQMWFEESA-N 0 3 337.445 3.058 20 5 EGBDHN CC1(C)CCCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000119757933 221394100 /nfs/dbraw/zinc/39/41/00/221394100.db2.gz YDRCEBXBCLMVQL-MRXNPFEDSA-N 0 3 331.416 3.042 20 5 EGBDHN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000187237232 533318168 /nfs/dbraw/zinc/31/81/68/533318168.db2.gz LZLADYVSFGIDPK-IAQYHMDHSA-N 0 3 333.413 3.078 20 5 EGBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)C ZINC000346266372 141188767 /nfs/dbraw/zinc/18/87/67/141188767.db2.gz OWLGTXSVGJOGPZ-LBPRGKRZSA-N 0 3 339.461 3.167 20 5 EGBDHN Cc1ccc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000067203688 292067065 /nfs/dbraw/zinc/06/70/65/292067065.db2.gz DTCUYQABCGSXEM-INIZCTEOSA-N 0 3 339.395 3.036 20 5 EGBDHN Cc1ccnc(NC2CCN(CCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000172277565 144019027 /nfs/dbraw/zinc/01/90/27/144019027.db2.gz PZYZWEBZLRUQEL-UHFFFAOYSA-N 0 3 340.427 3.417 20 5 EGBDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120593402 152287740 /nfs/dbraw/zinc/28/77/40/152287740.db2.gz VJKFYOVXFMCKJV-LBPRGKRZSA-N 0 3 332.356 3.096 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000336787067 154212197 /nfs/dbraw/zinc/21/21/97/154212197.db2.gz DGIAGLZRZAQSAD-HOCLYGCPSA-N 0 3 343.431 3.195 20 5 EGBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@@H]3CCCC[C@H]3OC(F)F)nc2c1 ZINC000337377747 154319624 /nfs/dbraw/zinc/31/96/24/154319624.db2.gz BXOYGUIKGXAADG-DGCLKSJQSA-N 0 3 340.330 3.111 20 5 EGBDHN CN(C)CCN(Cc1csc([N+](=O)[O-])c1)Cc1cccc(F)c1 ZINC000349060043 156337801 /nfs/dbraw/zinc/33/78/01/156337801.db2.gz DURGZOBTYUWIMD-UHFFFAOYSA-N 0 3 337.420 3.359 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3coc4ccccc34)C2)nc1 ZINC000093534316 162015176 /nfs/dbraw/zinc/01/51/76/162015176.db2.gz OVYJJDDTSATRKM-CQSZACIVSA-N 0 3 338.367 3.422 20 5 EGBDHN Cc1ccc([C@H](C)NCCC(=O)NCc2ccccc2)cc1[N+](=O)[O-] ZINC000129230359 162350560 /nfs/dbraw/zinc/35/05/60/162350560.db2.gz UWSCPCWYTWWOGO-HNNXBMFYSA-N 0 3 341.411 3.260 20 5 EGBDHN CN(CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cccs1 ZINC000343876465 164056300 /nfs/dbraw/zinc/05/63/00/164056300.db2.gz YXIBXAWMVQDRNO-UHFFFAOYSA-N 0 3 347.396 3.086 20 5 EGBDHN C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000345993690 164312095 /nfs/dbraw/zinc/31/20/95/164312095.db2.gz PDHZCXOGGQTZEG-RYUDHWBXSA-N 0 3 339.823 3.241 20 5 EGBDHN O=[N+]([O-])c1cccc(CN2CCC[C@]2(CO)Cc2ccccc2)c1 ZINC000355343574 166168922 /nfs/dbraw/zinc/16/89/22/166168922.db2.gz BFEOJJJMWRLGLE-LJQANCHMSA-N 0 3 326.396 3.164 20 5 EGBDHN CCc1nn(C)c(N[C@@H]2CCN([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000359503715 167173886 /nfs/dbraw/zinc/17/38/86/167173886.db2.gz AFKIDWIAEZOFSO-DZGCQCFKSA-N 0 3 343.431 3.138 20 5 EGBDHN COC1CCN(C2(CNc3nccc(C)c3[N+](=O)[O-])CCCC2)CC1 ZINC000360279304 167288652 /nfs/dbraw/zinc/28/86/52/167288652.db2.gz NXPRLBWKMQPLON-UHFFFAOYSA-N 0 3 348.447 3.134 20 5 EGBDHN CC[C@@H](NCc1cccc(-n2cncn2)c1)c1cccc([N+](=O)[O-])c1 ZINC000366218724 168095315 /nfs/dbraw/zinc/09/53/15/168095315.db2.gz MJXHSTWUMLNSMP-GOSISDBHSA-N 0 3 337.383 3.416 20 5 EGBDHN Cn1cnc([N+](=O)[O-])c1CN1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000367540322 168239477 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O=[N+]([O-])c1ccc(Cl)cc1CN[C@H](CO)Cc1ccc(F)cc1 ZINC000276685787 267603799 /nfs/dbraw/zinc/60/37/99/267603799.db2.gz JCYIHBHBBBGQHV-HNNXBMFYSA-N 0 3 338.766 3.081 20 5 EGBDHN C[C@@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000278544206 268036090 /nfs/dbraw/zinc/03/60/90/268036090.db2.gz XUWUGWMERAYFLR-UKRRQHHQSA-N 0 3 349.431 3.472 20 5 EGBDHN C[C@H]1C[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CN1C1CC1 ZINC000278686551 275265618 /nfs/dbraw/zinc/26/56/18/275265618.db2.gz IMERNNJLMZIOBQ-GXFFZTMASA-N 0 3 343.349 3.328 20 5 EGBDHN CCS[C@@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286296398 275977621 /nfs/dbraw/zinc/97/76/21/275977621.db2.gz VIEDGQJMCOHACZ-HUUCEWRRSA-N 0 3 338.429 3.225 20 5 EGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCCO[C@H]1CCOC1 ZINC000290828966 276547324 /nfs/dbraw/zinc/54/73/24/276547324.db2.gz HSXCXOYOINQDLK-LBPRGKRZSA-N 0 3 349.214 3.187 20 5 EGBDHN C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178655023 278384468 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CCc1ccc([C@H](O)CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000293988193 308180513 /nfs/dbraw/zinc/18/05/13/308180513.db2.gz BUKPDRBQBUHNHA-KPZWWZAWSA-N 0 3 329.400 3.124 20 5 EGBDHN CC(C)c1nnc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000294700945 308247404 /nfs/dbraw/zinc/24/74/04/308247404.db2.gz DAYKBCRHCHKQHE-ZFWWWQNUSA-N 0 3 343.431 3.337 20 5 EGBDHN CC(C)c1nnc(CN[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000294700945 308247406 /nfs/dbraw/zinc/24/74/06/308247406.db2.gz DAYKBCRHCHKQHE-ZFWWWQNUSA-N 0 3 343.431 3.337 20 5 EGBDHN C[C@H](CCCCO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000295067780 308287326 /nfs/dbraw/zinc/28/73/26/308287326.db2.gz OYMJUJXWZPWWFA-GFCCVEGCSA-N 0 3 335.429 3.359 20 5 EGBDHN CCN(CC)[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)c1ccsc1 ZINC000296655161 308452487 /nfs/dbraw/zinc/45/24/87/308452487.db2.gz XUDQXSCIUOAYOO-AWEZNQCLSA-N 0 3 335.433 3.250 20 5 EGBDHN Cc1ccc([C@H](C)NC[C@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000297438229 308533812 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CCc1ccccc1[C@H](N)CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000420289003 309279538 /nfs/dbraw/zinc/27/95/38/309279538.db2.gz YZJJTOCYJKYVCI-QGZVFWFLSA-N 0 3 327.384 3.472 20 5 EGBDHN Cc1ccc([C@H](C)NC[C@H]2NCCc3ccccc32)cc1[N+](=O)[O-] ZINC000423417597 309399502 /nfs/dbraw/zinc/39/95/02/309399502.db2.gz HBZIAWMSIIVORW-KBXCAEBGSA-N 0 3 325.412 3.441 20 5 EGBDHN CN(C)C[C@H]1CCc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000425630623 309488713 /nfs/dbraw/zinc/48/87/13/309488713.db2.gz SAFZYDRJMSWBSC-CYBMUJFWSA-N 0 3 345.424 3.180 20 5 EGBDHN CCCc1nc(C)c(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000426350792 309504887 /nfs/dbraw/zinc/50/48/87/309504887.db2.gz YVTBYPNXXUKTRH-KGLIPLIRSA-N 0 3 347.419 3.314 20 5 EGBDHN COCCOc1ccccc1CN[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449085307 310035880 /nfs/dbraw/zinc/03/58/80/310035880.db2.gz LYSFUHVCERUIOD-HNNXBMFYSA-N 0 3 344.411 3.341 20 5 EGBDHN COc1cccc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449495119 310066624 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EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@](C)(CO)c1ccccc1 ZINC000342225251 457179305 /nfs/dbraw/zinc/17/93/05/457179305.db2.gz NHDILYQWIZDAPI-LJQANCHMSA-N 0 3 344.411 3.033 20 5 EGBDHN O=C(CCN1CCS[C@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331625680 457220509 /nfs/dbraw/zinc/22/05/09/457220509.db2.gz GHALWJJTAJBYAP-CVEARBPZSA-N 0 3 349.456 3.283 20 5 EGBDHN COc1cc(C)ccc1CN[C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351525413 457302462 /nfs/dbraw/zinc/30/24/62/457302462.db2.gz RUGNHKYKLMNWFO-HOTGVXAUSA-N 0 3 344.415 3.382 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)N2CCCN(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000332392170 457361398 /nfs/dbraw/zinc/36/13/98/457361398.db2.gz XJGKXGCEKWMTNO-HNNXBMFYSA-N 0 3 348.447 3.090 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CCC(CCCn3ccnc3)CC2)cc1 ZINC000361044848 457539669 /nfs/dbraw/zinc/53/96/69/457539669.db2.gz JWAUBSQUTCQKKG-UHFFFAOYSA-N 0 3 328.416 3.484 20 5 EGBDHN COCC(C)(C)N1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000425501985 457578672 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O=[N+]([O-])c1ccc(N[C@H]2CCN([C@@H]3CCc4ccc(F)cc43)C2)nc1 ZINC000361399044 457718328 /nfs/dbraw/zinc/71/83/28/457718328.db2.gz CDIZHWUQIVUATB-WMLDXEAASA-N 0 3 342.374 3.303 20 5 EGBDHN CCCN(CC(C)C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000411202403 457828910 /nfs/dbraw/zinc/82/89/10/457828910.db2.gz ODGFYUWZHVBTJG-ZDUSSCGKSA-N 0 3 337.420 3.298 20 5 EGBDHN O=C(CCN1CCC[C@@H]1c1cccnc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411413010 457880790 /nfs/dbraw/zinc/88/07/90/457880790.db2.gz GHRRPNNNSCWVPD-QGZVFWFLSA-N 0 3 340.383 3.156 20 5 EGBDHN CC[C@H](c1ccncc1)N(C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411424078 457883838 /nfs/dbraw/zinc/88/38/38/457883838.db2.gz KOZMUFILHSDGAU-QGZVFWFLSA-N 0 3 342.399 3.402 20 5 EGBDHN CCN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1CCCC[C@@H]1C ZINC000444671309 457934777 /nfs/dbraw/zinc/93/47/77/457934777.db2.gz GBFLCQIBBKVCOV-YOEHRIQHSA-N 0 3 345.443 3.385 20 5 EGBDHN CCN(CC)CCSc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000427992132 458062485 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20 5 EGBDHN COC(=O)[C@H]1CC[C@@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000432996751 458824292 /nfs/dbraw/zinc/82/42/92/458824292.db2.gz HXOCZERXPBNVTF-HWWQOWPSSA-N 0 3 332.400 3.249 20 5 EGBDHN COc1ccc(OCCN(C)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000441182680 458896868 /nfs/dbraw/zinc/89/68/68/458896868.db2.gz JYRGWZMVIMHANX-UHFFFAOYSA-N 0 3 330.384 3.423 20 5 EGBDHN COc1cccc(N2CCN(C3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000475391509 458942104 /nfs/dbraw/zinc/94/21/04/458942104.db2.gz RGJRQPCCTGWMSD-UHFFFAOYSA-N 0 3 333.432 3.304 20 5 EGBDHN COC[C@@H](Cc1ccccc1)N(C)CCOc1ccccc1[N+](=O)[O-] ZINC000475748702 458963387 /nfs/dbraw/zinc/96/33/87/458963387.db2.gz ODIRAVWJCYTKMO-QGZVFWFLSA-N 0 3 344.411 3.163 20 5 EGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)CC(F)(F)F ZINC000468033779 458997786 /nfs/dbraw/zinc/99/77/86/458997786.db2.gz OHCYOWCWVUOJNE-ZJUUUORDSA-N 0 3 333.310 3.242 20 5 EGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)CC(F)(F)F ZINC000468033776 458998050 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/nfs/dbraw/zinc/01/47/10/1319014710.db2.gz DOEHGVKJGOCXSP-CYBMUJFWSA-N 0 3 337.383 3.214 20 5 EGBDHN COc1ccc([C@@H](N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000858604948 1328807787 /nfs/dbraw/zinc/80/77/87/1328807787.db2.gz QMDJMGHVWPLSKY-ZMZPIMSZSA-N 0 3 342.399 3.383 20 5 EGBDHN COc1ccc([C@@H](N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000858604946 1328807907 /nfs/dbraw/zinc/80/79/07/1328807907.db2.gz QMDJMGHVWPLSKY-VOJFVSQTSA-N 0 3 342.399 3.383 20 5 EGBDHN CC(C)(C)c1ccncc1CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819366619 1319710536 /nfs/dbraw/zinc/71/05/36/1319710536.db2.gz BCJKQMGIAAATMW-QGZVFWFLSA-N 0 3 329.400 3.111 20 5 EGBDHN CC([C@@H](OC(=O)CCC1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873676 1321748148 /nfs/dbraw/zinc/74/81/48/1321748148.db2.gz DNJLPYZZRQKWPG-YVEFUNNKSA-N 0 3 339.363 3.282 20 5 EGBDHN CC([C@H](OC(=O)CCc1cscn1)c1ccccc1F)[N+](=O)[O-] ZINC000845874812 1321748319 /nfs/dbraw/zinc/74/83/19/1321748319.db2.gz ISGKMWKQPMZJJZ-BONVTDFDSA-N 0 3 338.360 3.165 20 5 EGBDHN CC(C)Cn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845878841 1321749448 /nfs/dbraw/zinc/74/94/48/1321749448.db2.gz SYOALJPHODDLHQ-LRDDRELGSA-N 0 3 349.362 3.242 20 5 EGBDHN Cc1cc(C)nc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845877642 1321749780 /nfs/dbraw/zinc/74/97/80/1321749780.db2.gz FUVBOSITTPNUBF-MLGOLLRUSA-N 0 3 332.331 3.401 20 5 EGBDHN C[S@](=O)[C@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850354884 1322232219 /nfs/dbraw/zinc/23/22/19/1322232219.db2.gz BVSSMXILIFXDGX-ZZPLEAIBSA-N 0 3 330.837 3.028 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](CCO)Cc1ccccc1 ZINC000850466066 1322254385 /nfs/dbraw/zinc/25/43/85/1322254385.db2.gz BZHBYNXDYUNTOH-ZBFHGGJFSA-N 0 3 344.411 3.248 20 5 EGBDHN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000931625926 1329156218 /nfs/dbraw/zinc/15/62/18/1329156218.db2.gz KUNNNKKLFZKXKR-LLVKDONJSA-N 0 3 340.811 3.115 20 5 EGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1cc(C2CC2)n(C)n1 ZINC000927112932 1327871898 /nfs/dbraw/zinc/87/18/98/1327871898.db2.gz UPSFVFWYBAWVGF-CYBMUJFWSA-N 0 3 328.416 3.317 20 5 EGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861410512 1329416810 /nfs/dbraw/zinc/41/68/10/1329416810.db2.gz XTPODOHGUJLRKN-ZDUSSCGKSA-N 0 3 339.823 3.098 20 5 EGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000862209604 1329465819 /nfs/dbraw/zinc/46/58/19/1329465819.db2.gz VMMWJGCIQCPTCZ-GFCCVEGCSA-N 0 3 339.823 3.098 20 5 EGBDHN CCN1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Br)c2)C1 ZINC001229085822 1375761006 /nfs/dbraw/zinc/76/10/06/1375761006.db2.gz HTNKUQOBJSDJOM-NSHDSACASA-N 0 3 329.194 3.220 20 5 EGBDHN Cc1cnc2ccccc2c1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001325230135 1387918957 /nfs/dbraw/zinc/91/89/57/1387918957.db2.gz DMRDXMXFSCKYDG-UHFFFAOYSA-N 0 3 349.394 3.173 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN([C@@H]3CCc4c3cccc4F)CC2)n1 ZINC001116821019 1370980986 /nfs/dbraw/zinc/98/09/86/1370980986.db2.gz HAOYVTXHDYMQRZ-MRXNPFEDSA-N 0 3 330.363 3.255 20 5 EGBDHN Cc1cc(-c2nc(-c3ccc(CN(C)C)cc3)no2)ncc1[N+](=O)[O-] ZINC001212665154 1372747997 /nfs/dbraw/zinc/74/79/97/1372747997.db2.gz ZGNNHBHTNSHBDI-UHFFFAOYSA-N 0 3 339.355 3.077 20 5 EGBDHN O=[N+]([O-])c1cc2[n-]c(O[C@@H]3CCC[C@]34CC[NH2+]C4)nc2cc1Cl ZINC001218097965 1373559874 /nfs/dbraw/zinc/55/98/74/1373559874.db2.gz WKGQJKOWMPUNHB-UKRRQHHQSA-N 0 3 336.779 3.036 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)c(O[C@H]2CNCCC2(F)F)cc1Cl ZINC001218447344 1373613813 /nfs/dbraw/zinc/61/38/13/1373613813.db2.gz JIABVVFGXHGYNT-JTQLQIEISA-N 0 3 327.114 3.278 20 5 EGBDHN C[C@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1cccnc1[N+](=O)[O-] ZINC001225628265 1375134564 /nfs/dbraw/zinc/13/45/64/1375134564.db2.gz GDZISIJOJZIDHK-YOEHRIQHSA-N 0 3 327.384 3.279 20 5 EGBDHN CC1(C)C2CCC1(C(=O)NCCNCc1ccc([N+](=O)[O-])cc1)CC2 ZINC001134986976 1376829414 /nfs/dbraw/zinc/82/94/14/1376829414.db2.gz BXXGFTSFONCVOD-UHFFFAOYSA-N 0 3 345.443 3.017 20 5 EGBDHN CC(C)c1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001148845646 1379282299 /nfs/dbraw/zinc/28/22/99/1379282299.db2.gz JNMMFRYFEUWNBQ-UHFFFAOYSA-N 0 3 341.411 3.238 20 5 EGBDHN CN1CCC(CO)(NC(=O)c2c3ccccc3cc3ccccc32)CC1 ZINC001153497582 1380085196 /nfs/dbraw/zinc/08/51/96/1380085196.db2.gz FCJVSVFOIAMKCX-UHFFFAOYSA-N 0 3 348.446 3.180 20 5 EGBDHN O=[N+]([O-])c1cccc2nc(N[C@H]3CNCc4ccsc43)ccc21 ZINC001155560261 1380468710 /nfs/dbraw/zinc/46/87/10/1380468710.db2.gz BYYXWTXGESWOHO-ZDUSSCGKSA-N 0 3 326.381 3.461 20 5 EGBDHN CC(C)(C)CCCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155702465 1380484493 /nfs/dbraw/zinc/48/44/93/1380484493.db2.gz YQFLXACPADWVQC-UHFFFAOYSA-N 0 3 341.477 3.469 20 5 EGBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ncc(F)cc1[N+](=O)[O-] ZINC001159592240 1381838648 /nfs/dbraw/zinc/83/86/48/1381838648.db2.gz NVXIQUHNTZUSEH-JTQLQIEISA-N 0 3 327.319 3.001 20 5 EGBDHN O=[N+]([O-])c1ccnc(NCC2CCN(Cc3ccccc3F)CC2)c1 ZINC001161193600 1382336400 /nfs/dbraw/zinc/33/64/00/1382336400.db2.gz SJGZHSZVOXNEEU-UHFFFAOYSA-N 0 3 344.390 3.453 20 5 EGBDHN COc1cc([N+](=O)[O-])cnc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC001166866161 1383489741 /nfs/dbraw/zinc/48/97/41/1383489741.db2.gz XNCBOULMNSRVMF-INIZCTEOSA-N 0 3 342.399 3.247 20 5 EGBDHN O=[N+]([O-])C[C@@H]1CC[C@H](NCc2c(F)cccc2Br)C1 ZINC001169000991 1384084175 /nfs/dbraw/zinc/08/41/75/1384084175.db2.gz CCPWTEMQQLRHIC-ZJUUUORDSA-N 0 3 331.185 3.123 20 5 EGBDHN COc1ccc2c(c1)C[C@@H](Nc1cc3c(cc1[N+](=O)[O-])CNC3)CC2 ZINC001170412005 1384311680 /nfs/dbraw/zinc/31/16/80/1384311680.db2.gz CJKNGSMLHDSMEH-INIZCTEOSA-N 0 3 339.395 3.176 20 5 EGBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001170686017 1384366229 /nfs/dbraw/zinc/36/62/29/1384366229.db2.gz KLDKYXQGMIWNFJ-NSHDSACASA-N 0 3 348.366 3.344 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NCc2ccc(C)cn2)c1F ZINC001173176879 1384931998 /nfs/dbraw/zinc/93/19/98/1384931998.db2.gz NFBQUXBHYTVVFC-GFCCVEGCSA-N 0 3 333.363 3.167 20 5 EGBDHN CC(C)=CC(=O)NCCCCCCNCc1csc([N+](=O)[O-])c1 ZINC001177824400 1386057709 /nfs/dbraw/zinc/05/77/09/1386057709.db2.gz KZQZGQIIOWDZCM-UHFFFAOYSA-N 0 3 339.461 3.389 20 5 EGBDHN C/C=C(/C)C(=O)NCCCCCCNCc1csc([N+](=O)[O-])c1 ZINC001178144947 1386142060 /nfs/dbraw/zinc/14/20/60/1386142060.db2.gz ZUYZSXPCGMWRKI-DXNYSGJVSA-N 0 3 339.461 3.389 20 5 EGBDHN Cc1c([C@H](C)NCCC(=O)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001320668756 1386685977 /nfs/dbraw/zinc/68/59/77/1386685977.db2.gz CUIRJZOXCPGDOM-ZFWWWQNUSA-N 0 3 333.432 3.202 20 5 EGBDHN Cc1ccccc1CN1CCCN(c2c(C)cncc2[N+](=O)[O-])CC1 ZINC001346018840 1390901358 /nfs/dbraw/zinc/90/13/58/1390901358.db2.gz TXSOFVUOFIXPQR-UHFFFAOYSA-N 0 3 340.427 3.319 20 5 EGBDHN CCC(C)(C)N1CCN(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001353394250 1392001910 /nfs/dbraw/zinc/00/19/10/1392001910.db2.gz DHUKOUPUOYNBNU-UHFFFAOYSA-N 0 3 338.383 3.072 20 5 EGBDHN CN(CCCN(C)C(=O)c1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC001755032661 1440732506 /nfs/dbraw/zinc/73/25/06/1440732506.db2.gz UFLOPHGTPYJVRQ-UHFFFAOYSA-N 0 3 347.440 3.250 20 5 EGBDHN CSc1cccc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000376409285 295680570 /nfs/dbraw/zinc/68/05/70/295680570.db2.gz RRINFPIHWNSBJE-OLZOCXBDSA-N 0 3 349.456 3.016 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1cccc(O)c1 ZINC000181521385 234216189 /nfs/dbraw/zinc/21/61/89/234216189.db2.gz FJUDHWDFZKSETJ-ZDUSSCGKSA-N 0 3 343.383 3.288 20 5 EGBDHN Cc1cc(NC2CCN(C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000234315147 242278313 /nfs/dbraw/zinc/27/83/13/242278313.db2.gz CARYXIBZABCPAE-UHFFFAOYSA-N 0 3 328.210 3.172 20 5 EGBDHN CC(C)(C)OC(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263870590 245787478 /nfs/dbraw/zinc/78/74/78/245787478.db2.gz FEIBIHDIRIQAQV-UHFFFAOYSA-N 0 3 334.416 3.191 20 5 EGBDHN CC(=O)N1CC[C@H](CN(C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000092101078 218119958 /nfs/dbraw/zinc/11/99/58/218119958.db2.gz GBCCZYLLJGGVNQ-MRXNPFEDSA-N 0 3 333.432 3.018 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H](C)c1ccccc1 ZINC000181377839 533223544 /nfs/dbraw/zinc/22/35/44/533223544.db2.gz WIINZZCLOYIPLY-CYBMUJFWSA-N 0 3 343.383 3.283 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246831112 141037145 /nfs/dbraw/zinc/03/71/45/141037145.db2.gz OCWITYOQGKNKHN-KBXCAEBGSA-N 0 3 345.443 3.052 20 5 EGBDHN CC1(C)CCC[C@]1(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000339469542 141117922 /nfs/dbraw/zinc/11/79/22/141117922.db2.gz QCWRJXQQQYVMQN-INIZCTEOSA-N 0 3 344.358 3.227 20 5 EGBDHN COc1ccc([C@@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000341212691 141138943 /nfs/dbraw/zinc/13/89/43/141138943.db2.gz QICWKQPPTPKDSV-CYBMUJFWSA-N 0 3 343.383 3.283 20 5 EGBDHN Cc1ccc(NC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000352274812 144322187 /nfs/dbraw/zinc/32/21/87/144322187.db2.gz XPQLBYOWDUCOBS-TZMCWYRMSA-N 0 3 334.420 3.145 20 5 EGBDHN C[C@@H](CCO)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000119625618 152218148 /nfs/dbraw/zinc/21/81/48/152218148.db2.gz QHALFUISNNLOHR-AWEZNQCLSA-N 0 3 329.400 3.223 20 5 EGBDHN COC[C@@H](Cc1ccccc1)N(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000191494972 153201731 /nfs/dbraw/zinc/20/17/31/153201731.db2.gz YTTSYCBEWYRMED-QGZVFWFLSA-N 0 3 344.411 3.293 20 5 EGBDHN COc1ccccc1[C@H]1CCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000305184947 154088889 /nfs/dbraw/zinc/08/88/89/154088889.db2.gz PCKLLQZYSAOOQG-QZTJIDSGSA-N 0 3 342.395 3.474 20 5 EGBDHN C[C@H]1[C@@H](NCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000310321920 154141663 /nfs/dbraw/zinc/14/16/63/154141663.db2.gz VFPANPQNDCAHDT-KXBFYZLASA-N 0 3 325.412 3.347 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCCC[C@H]1C ZINC000337353271 154302011 /nfs/dbraw/zinc/30/20/11/154302011.db2.gz BFHRVKZYOPYPAU-ZIAGYGMSSA-N 0 3 334.420 3.288 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCC[C@@H]1OC(F)F ZINC000337395021 154331580 /nfs/dbraw/zinc/33/15/80/154331580.db2.gz IPZVLIIKRBRALX-OCCSQVGLSA-N 0 3 330.331 3.243 20 5 EGBDHN CN(C)CCN(Cc1ccc(F)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC000349065412 156341315 /nfs/dbraw/zinc/34/13/15/156341315.db2.gz ZRHVQWCXZPOSHV-UHFFFAOYSA-N 0 3 349.381 3.437 20 5 EGBDHN COc1cc(CN2CCC[C@H]2C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000362182508 157061583 /nfs/dbraw/zinc/06/15/83/157061583.db2.gz RAYZIYMBPLCPHW-HNNXBMFYSA-N 0 3 338.379 3.134 20 5 EGBDHN Cc1ccc(CN(CCO)[C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000093387676 162008212 /nfs/dbraw/zinc/00/82/12/162008212.db2.gz GDCXFLOKEBVTJV-GOSISDBHSA-N 0 3 326.396 3.385 20 5 EGBDHN Cc1c([C@@H](C)NCCC(=O)NCc2ccccc2)cccc1[N+](=O)[O-] ZINC000129248165 162350110 /nfs/dbraw/zinc/35/01/10/162350110.db2.gz VPKDBCZMMLFRPY-OAHLLOKOSA-N 0 3 341.411 3.260 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000305052478 163073273 /nfs/dbraw/zinc/07/32/73/163073273.db2.gz NFFSUJKSQFEZTE-IAGOWNOFSA-N 0 3 330.384 3.318 20 5 EGBDHN Cc1cc(C(=O)Nc2cccc(OCCN(C)C)c2)ccc1[N+](=O)[O-] ZINC000337247135 163177999 /nfs/dbraw/zinc/17/79/99/163177999.db2.gz HWCUKEXYLLHQQG-UHFFFAOYSA-N 0 3 343.383 3.096 20 5 EGBDHN CCCCOC1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337259626 163183756 /nfs/dbraw/zinc/18/37/56/163183756.db2.gz WJLIEXWTJMETHB-UHFFFAOYSA-N 0 3 349.431 3.205 20 5 EGBDHN COCC1(CCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000338732758 163334068 /nfs/dbraw/zinc/33/40/68/163334068.db2.gz ABVXGPNISFNPFL-UHFFFAOYSA-N 0 3 329.400 3.492 20 5 EGBDHN Cc1ccc(CNC[C@H](CO)c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000342283112 163835804 /nfs/dbraw/zinc/83/58/04/163835804.db2.gz PNPAZYYEKKXCQW-CQSZACIVSA-N 0 3 334.803 3.422 20 5 EGBDHN C[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000346226508 164359918 /nfs/dbraw/zinc/35/99/18/164359918.db2.gz XAJZBPJOBBJGHT-RYUDHWBXSA-N 0 3 339.823 3.098 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H]4CC[C@@H](O)[C@H]4C3)o2)cc1 ZINC000346334098 164370027 /nfs/dbraw/zinc/37/00/27/164370027.db2.gz NPOSDURZIQZIEJ-RRQGHBQHSA-N 0 3 328.368 3.058 20 5 EGBDHN CC(C)n1cc2c(n1)C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000350252007 165023003 /nfs/dbraw/zinc/02/30/03/165023003.db2.gz OZLZFGFITHYTSO-AWEZNQCLSA-N 0 3 332.379 3.158 20 5 EGBDHN CC(C)CC[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351670578 165126452 /nfs/dbraw/zinc/12/64/52/165126452.db2.gz VOBOOBBASWOVAN-MRXNPFEDSA-N 0 3 333.432 3.484 20 5 EGBDHN CC1CCC(N2CCN(Cc3c(F)cccc3[N+](=O)[O-])CC2)CC1 ZINC000360248220 167281454 /nfs/dbraw/zinc/28/14/54/167281454.db2.gz DTOQZARWNFNHMF-UHFFFAOYSA-N 0 3 335.423 3.430 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc4occc4c3)CC2)n1 ZINC000368039786 168302196 /nfs/dbraw/zinc/30/21/96/168302196.db2.gz RUCFSDOIRJDGFR-UHFFFAOYSA-N 0 3 326.356 3.375 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(CN(C)C)ccc1C ZINC000177321328 265246881 /nfs/dbraw/zinc/24/68/81/265246881.db2.gz UTWAACMJXLVFRP-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2noc(CN3C[C@@H]4CCCC[C@@H]4C3)n2)cc1 ZINC000177564780 265262689 /nfs/dbraw/zinc/26/26/89/265262689.db2.gz XCDLTWWTHNHJHS-OKILXGFUSA-N 0 3 328.372 3.267 20 5 EGBDHN Cc1ccc([C@@H](C)NC(=O)c2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000177866766 265281887 /nfs/dbraw/zinc/28/18/87/265281887.db2.gz CBWJWQBRSPXGOK-CQSZACIVSA-N 0 3 341.411 3.456 20 5 EGBDHN Cc1nc(C)c([C@@H](C)N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000269629445 266330431 /nfs/dbraw/zinc/33/04/31/266330431.db2.gz DZLPFPINDCLGKV-IAQYHMDHSA-N 0 3 335.429 3.395 20 5 EGBDHN O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCN(C2CC2)C1 ZINC000044680523 275132217 /nfs/dbraw/zinc/13/22/17/275132217.db2.gz IRAIHDQKPIJNHG-JTQLQIEISA-N 0 3 326.194 3.006 20 5 EGBDHN Cc1cc([N+](=O)[O-])cc(C(=O)Nc2ccccc2CCN(C)C)c1F ZINC000284875254 275832494 /nfs/dbraw/zinc/83/24/94/275832494.db2.gz KSHQCHNALMBPBE-UHFFFAOYSA-N 0 3 345.374 3.399 20 5 EGBDHN CCS[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000286200693 275964408 /nfs/dbraw/zinc/96/44/08/275964408.db2.gz PZUWCYRLDNYMAC-BYCMXARLSA-N 0 3 337.445 3.186 20 5 EGBDHN CN1CCC(Oc2ccc(CNc3ncc([N+](=O)[O-])s3)cc2)CC1 ZINC000286531751 276012897 /nfs/dbraw/zinc/01/28/97/276012897.db2.gz SILCDLMURQUCPG-UHFFFAOYSA-N 0 3 348.428 3.136 20 5 EGBDHN C[C@H](NC[C@]1(CO)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000289661726 276374088 /nfs/dbraw/zinc/37/40/88/276374088.db2.gz GTNQRKSFZYVZQG-JVPBZIDWSA-N 0 3 326.396 3.412 20 5 EGBDHN Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2[N+](=O)[O-])N(C)C)cc1 ZINC000067268251 307365193 /nfs/dbraw/zinc/36/51/93/307365193.db2.gz GIYZLOBRCZUGMD-QGZVFWFLSA-N 0 3 341.411 3.244 20 5 EGBDHN C[C@@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000413823414 309049080 /nfs/dbraw/zinc/04/90/80/309049080.db2.gz AANKHHICSADQPF-MJBXVCDLSA-N 0 3 333.432 3.207 20 5 EGBDHN C[C@H](N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000414197407 309066369 /nfs/dbraw/zinc/06/63/69/309066369.db2.gz WKJSFLMLFFRQAI-VBQJREDUSA-N 0 3 328.416 3.390 20 5 EGBDHN CCn1ccc(CN[C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000414209237 309066837 /nfs/dbraw/zinc/06/68/37/309066837.db2.gz MWVGMHRKGHQFJI-PBHICJAKSA-N 0 3 328.416 3.312 20 5 EGBDHN CC[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)O ZINC000293029809 308091928 /nfs/dbraw/zinc/09/19/28/308091928.db2.gz PQVNZYJSBSLNDH-CQSZACIVSA-N 0 3 335.429 3.357 20 5 EGBDHN CC(C)(CO)[C@@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000293138530 308103084 /nfs/dbraw/zinc/10/30/84/308103084.db2.gz SRJGZLWBSAQQPJ-INIZCTEOSA-N 0 3 345.399 3.137 20 5 EGBDHN CCc1ccc([C@@H](O)CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000293988200 308180587 /nfs/dbraw/zinc/18/05/87/308180587.db2.gz BUKPDRBQBUHNHA-SGTLLEGYSA-N 0 3 329.400 3.124 20 5 EGBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H]2CCC[C@@H]2CCO)c1 ZINC000294174379 308197208 /nfs/dbraw/zinc/19/72/08/308197208.db2.gz QCYCLAHDLMSQBY-YGRLFVJLSA-N 0 3 332.322 3.254 20 5 EGBDHN CCN(CC)[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])c1ccsc1 ZINC000294554845 308231835 /nfs/dbraw/zinc/23/18/35/308231835.db2.gz RGJYZRRJNJSFQA-CQSZACIVSA-N 0 3 341.477 3.083 20 5 EGBDHN C[C@H](C[C@@H](O)c1ccccc1)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294776642 308255956 /nfs/dbraw/zinc/25/59/56/308255956.db2.gz NONXHMUCIFZRJS-SNUQEOBHSA-N 0 3 329.400 3.340 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCC(C)(C)c1cccnc1 ZINC000414558189 309089278 /nfs/dbraw/zinc/08/92/78/309089278.db2.gz MQFKSGNINFZGLB-UHFFFAOYSA-N 0 3 329.400 3.456 20 5 EGBDHN Cc1nc(C)c(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000331608243 308811914 /nfs/dbraw/zinc/81/19/14/308811914.db2.gz MBTBQRCOEMELAN-OLZOCXBDSA-N 0 3 335.433 3.138 20 5 EGBDHN CN(C)Cc1ccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000412556645 308991102 /nfs/dbraw/zinc/99/11/02/308991102.db2.gz GAOKRDDKEBYSJB-UHFFFAOYSA-N 0 3 345.374 3.367 20 5 EGBDHN O=[N+]([O-])c1cnc(N2CCC[C@@H](N3CCCC3)C2)c(C(F)(F)F)c1 ZINC000413069895 309014641 /nfs/dbraw/zinc/01/46/41/309014641.db2.gz ZGNZJIAGUWZVHR-LLVKDONJSA-N 0 3 344.337 3.073 20 5 EGBDHN CNCc1cccc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000415940087 309150252 /nfs/dbraw/zinc/15/02/52/309150252.db2.gz DLMWXOFHXUQHCW-UHFFFAOYSA-N 0 3 342.399 3.371 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NCCn1cnnc1C1CC1)CCCC2 ZINC000417312539 309201208 /nfs/dbraw/zinc/20/12/08/309201208.db2.gz SLRSKZOFIZIJSR-QGZVFWFLSA-N 0 3 341.415 3.121 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCN(CC(F)F)C1)CCCC2 ZINC000417380689 309203723 /nfs/dbraw/zinc/20/37/23/309203723.db2.gz HRIMLPBWRNRTPV-CZUORRHYSA-N 0 3 339.386 3.291 20 5 EGBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCN1C ZINC000421406916 309323458 /nfs/dbraw/zinc/32/34/58/309323458.db2.gz IEAAFQWHOOLNAD-INIZCTEOSA-N 0 3 329.400 3.381 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000421495633 309327070 /nfs/dbraw/zinc/32/70/70/309327070.db2.gz JZKJYOXFCUMYBW-AWEZNQCLSA-N 0 3 333.432 3.014 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000421750218 309338264 /nfs/dbraw/zinc/33/82/64/309338264.db2.gz UDRHOISYMXVKOG-OAHLLOKOSA-N 0 3 333.432 3.062 20 5 EGBDHN Cc1ccc(CNC[C@]2(CO)C[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000428555933 309555277 /nfs/dbraw/zinc/55/52/77/309555277.db2.gz ALSCTYZZIOVBJS-HKUYNNGSSA-N 0 3 344.386 3.298 20 5 EGBDHN COc1cccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447512112 309980295 /nfs/dbraw/zinc/98/02/95/309980295.db2.gz XCNDBKBJSHJDAA-JKSUJKDBSA-N 0 3 330.388 3.073 20 5 EGBDHN COCCOc1ccccc1CN[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449085308 310035870 /nfs/dbraw/zinc/03/58/70/310035870.db2.gz LYSFUHVCERUIOD-OAHLLOKOSA-N 0 3 344.411 3.341 20 5 EGBDHN COc1cccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])c1OC ZINC000449090398 310036424 /nfs/dbraw/zinc/03/64/24/310036424.db2.gz NRWDXOVHFGQCSK-CYBMUJFWSA-N 0 3 330.384 3.333 20 5 EGBDHN COc1ccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000449091921 310036435 /nfs/dbraw/zinc/03/64/35/310036435.db2.gz ROIWYPYBBRWGOA-CYBMUJFWSA-N 0 3 330.384 3.333 20 5 EGBDHN Cc1csc(CN[C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000449481793 310065574 /nfs/dbraw/zinc/06/55/74/310065574.db2.gz VTONRXJNPPPEFS-GFCCVEGCSA-N 0 3 333.413 3.472 20 5 EGBDHN CCOC(=O)[C@@H]1CCCC[C@@H]1NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000449506548 310067618 /nfs/dbraw/zinc/06/76/18/310067618.db2.gz CQIFGIUGLBUQFG-VTBIRBAPSA-N 0 3 332.400 3.320 20 5 EGBDHN C[C@H](Cc1cnn(C)c1)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449582821 310073793 /nfs/dbraw/zinc/07/37/93/310073793.db2.gz HDOYCOAJGMJKTN-CYBMUJFWSA-N 0 3 340.383 3.309 20 5 EGBDHN CCC1(CNCc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)COC1 ZINC000449596700 310074674 /nfs/dbraw/zinc/07/46/74/310074674.db2.gz CBYWFENPVBTBOA-UHFFFAOYSA-N 0 3 346.383 3.380 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000450813682 310143779 /nfs/dbraw/zinc/14/37/79/310143779.db2.gz SRCLMPWPDBAJLZ-HNNXBMFYSA-N 0 3 340.427 3.257 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000450813683 310143824 /nfs/dbraw/zinc/14/38/24/310143824.db2.gz SRCLMPWPDBAJLZ-OAHLLOKOSA-N 0 3 340.427 3.257 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H](c3ccncc3)C2)cc1 ZINC000450993762 310154023 /nfs/dbraw/zinc/15/40/23/310154023.db2.gz ANNDAQHJMLEPKA-INIZCTEOSA-N 0 3 327.384 3.248 20 5 EGBDHN Cc1cc(C)cc(OC[C@@H](O)CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000451109037 310160984 /nfs/dbraw/zinc/16/09/84/310160984.db2.gz XPRQBKADMTYXHJ-YJBOKZPZSA-N 0 3 344.411 3.302 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)c1 ZINC000451349835 310173428 /nfs/dbraw/zinc/17/34/28/310173428.db2.gz BWSGSWGQNAIYHJ-OAHLLOKOSA-N 0 3 338.770 3.325 20 5 EGBDHN CCC[C@@H](NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000451439403 310178508 /nfs/dbraw/zinc/17/85/08/310178508.db2.gz OAVUJGGJUSTPJQ-OAHLLOKOSA-N 0 3 337.420 3.346 20 5 EGBDHN CCO[C@@H]1C[C@@H](NCc2cc(OC)c(F)cc2[N+](=O)[O-])C12CCC2 ZINC000451474077 310180113 /nfs/dbraw/zinc/18/01/13/310180113.db2.gz ALTCLZJYFYNQSH-HZPDHXFCSA-N 0 3 338.379 3.180 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000452073763 310210400 /nfs/dbraw/zinc/21/04/00/310210400.db2.gz VYGDQKMYKFZCBP-IHRRRGAJSA-N 0 3 349.431 3.346 20 5 EGBDHN Cc1c([C@@H](C)NC[C@H](O)Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000453229164 310265472 /nfs/dbraw/zinc/26/54/72/310265472.db2.gz CAVXMPKSKSHLPE-CZUORRHYSA-N 0 3 332.375 3.297 20 5 EGBDHN Cc1c(-c2noc(C3CCN(C4CC4)CC3)n2)cccc1[N+](=O)[O-] ZINC000453264497 310267858 /nfs/dbraw/zinc/26/78/58/310267858.db2.gz VQTASCJFCLXART-UHFFFAOYSA-N 0 3 328.372 3.295 20 5 EGBDHN Cc1cc(-c2noc(C3CCN(C4CC4)CC3)n2)cc([N+](=O)[O-])c1 ZINC000453297667 310269817 /nfs/dbraw/zinc/26/98/17/310269817.db2.gz VERZXVMOKIRZGC-UHFFFAOYSA-N 0 3 328.372 3.295 20 5 EGBDHN Cc1ccc(C[C@H](CO)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000453426372 310276579 /nfs/dbraw/zinc/27/65/79/310276579.db2.gz HCDLEMQDNASIQB-MAUKXSAKSA-N 0 3 328.412 3.466 20 5 EGBDHN C[C@]1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC(=O)N1 ZINC000453594221 310283288 /nfs/dbraw/zinc/28/32/88/310283288.db2.gz WUPJSOBPHMLMDF-QGZVFWFLSA-N 0 3 345.424 3.082 20 5 EGBDHN C[C@H](NC(=O)NCCN1[C@H](C)CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454473401 310311559 /nfs/dbraw/zinc/31/15/59/310311559.db2.gz CHOGUEDWKSVKSI-KFWWJZLASA-N 0 3 348.447 3.218 20 5 EGBDHN CC(C)(C)OCCCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000475047467 310803847 /nfs/dbraw/zinc/80/38/47/310803847.db2.gz PMZQJOIBBYNKDT-UHFFFAOYSA-N 0 3 335.448 3.312 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@H]1CCCO[C@@H]1CC(C)C ZINC000481723416 310920177 /nfs/dbraw/zinc/92/01/77/310920177.db2.gz AZYKMDGOIMAPPY-GOEBONIOSA-N 0 3 349.431 3.025 20 5 EGBDHN C[C@@H]1C[C@H]1N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488715990 311075915 /nfs/dbraw/zinc/07/59/15/311075915.db2.gz QEIXLDLMAJJCRZ-JJRVBVJISA-N 0 3 340.427 3.310 20 5 EGBDHN CCOc1cccc(N2CCN([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488752374 311078480 /nfs/dbraw/zinc/07/84/80/311078480.db2.gz KLCCADDBJJLFQR-IIAWOOMASA-N 0 3 333.432 3.160 20 5 EGBDHN CCN1CCCC[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488917361 311084525 /nfs/dbraw/zinc/08/45/25/311084525.db2.gz MDEDYPBFADVNIH-AWEZNQCLSA-N 0 3 348.447 3.004 20 5 EGBDHN Cn1c(=O)c(CNC/C=C/c2ccccc2[N+](=O)[O-])cc2ccccc21 ZINC000491516634 311182731 /nfs/dbraw/zinc/18/27/31/311182731.db2.gz XPXAKKMYMHBXIJ-RMKNXTFCSA-N 0 3 349.390 3.250 20 5 EGBDHN CCOC(=O)N1CCC[C@H]([C@H](C)NCc2csc([N+](=O)[O-])c2)C1 ZINC000495565775 311579250 /nfs/dbraw/zinc/57/92/50/311579250.db2.gz NFTPIVXHQBCPCF-AAEUAGOBSA-N 0 3 341.433 3.003 20 5 EGBDHN COc1ccc([C@@H]2CCN(CCOc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000504522177 312007457 /nfs/dbraw/zinc/00/74/57/312007457.db2.gz SDMDMIFPCFBHNZ-MRXNPFEDSA-N 0 3 342.395 3.472 20 5 EGBDHN COCCN(C)CC[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000505581079 312026715 /nfs/dbraw/zinc/02/67/15/312026715.db2.gz FEAWNTYGZSWTHC-KRWDZBQOSA-N 0 3 344.415 3.111 20 5 EGBDHN CN(C)CCOc1ccc(CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000511383675 312158910 /nfs/dbraw/zinc/15/89/10/312158910.db2.gz YZQXMMZEUXWNQH-UHFFFAOYSA-N 0 3 329.400 3.190 20 5 EGBDHN CN1CCN(CCc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000536452530 314114471 /nfs/dbraw/zinc/11/44/71/314114471.db2.gz FAUHMIQVYJUKSE-IBGZPJMESA-N 0 3 325.412 3.126 20 5 EGBDHN COc1ccc2c(c1)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000536857324 314150601 /nfs/dbraw/zinc/15/06/01/314150601.db2.gz KHVPUKSXVGBCTC-SFHVURJKSA-N 0 3 328.368 3.259 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCOC[C@@H]1CCCO1)CCCC2 ZINC000563570010 316040006 /nfs/dbraw/zinc/04/00/06/316040006.db2.gz ZQNTZGKGXLRRIF-WMZOPIPTSA-N 0 3 334.416 3.148 20 5 EGBDHN COCC[C@H](Cc1ccco1)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564226491 316125984 /nfs/dbraw/zinc/12/59/84/316125984.db2.gz YSZDAUFTFBHHMK-DYVFJYSZSA-N 0 3 330.384 3.413 20 5 EGBDHN C[C@@H]1C[C@@H]1[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000180034910 323420131 /nfs/dbraw/zinc/42/01/31/323420131.db2.gz QMGKGEUYTXNJTF-DIOULYMOSA-N 0 3 334.807 3.432 20 5 EGBDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000382458288 324250764 /nfs/dbraw/zinc/25/07/64/324250764.db2.gz SFWKXOFLGHQIAF-HUUCEWRRSA-N 0 3 349.431 3.378 20 5 EGBDHN COc1ccc(-c2ccc(CNC[C@H](CO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000579458767 325112496 /nfs/dbraw/zinc/11/24/96/325112496.db2.gz PDBKAOPMUGJZEY-CYBMUJFWSA-N 0 3 348.399 3.218 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N1CCN(c2ccnc3ccccc32)CC1 ZINC000579600654 325133491 /nfs/dbraw/zinc/13/34/91/325133491.db2.gz TXIXQIWGQPIHBV-UHFFFAOYSA-N 0 3 349.394 3.173 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@@H]3CCC[C@@H]3CCO)o2)c1 ZINC000189978002 455265028 /nfs/dbraw/zinc/26/50/28/455265028.db2.gz GGFKJNWOOINKKU-CXAGYDPISA-N 0 3 330.384 3.496 20 5 EGBDHN C[C@@H](NCCN1CCc2sccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173344140 455269969 /nfs/dbraw/zinc/26/99/69/455269969.db2.gz OMKVJVVROUPKKU-CYBMUJFWSA-N 0 3 331.441 3.365 20 5 EGBDHN CN(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000016599294 453614846 /nfs/dbraw/zinc/61/48/46/453614846.db2.gz UMKTXUKBEKPFLM-INIZCTEOSA-N 0 3 347.802 3.281 20 5 EGBDHN CCN1CCC[C@@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000020554392 453667840 /nfs/dbraw/zinc/66/78/40/453667840.db2.gz KTVSOWHQTBZWAM-LLVKDONJSA-N 0 3 328.210 3.254 20 5 EGBDHN CC(C)(CNc1ncccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000026725630 453804866 /nfs/dbraw/zinc/80/48/66/453804866.db2.gz SAUJKTWZNQVGQV-UHFFFAOYSA-N 0 3 326.400 3.239 20 5 EGBDHN CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)N1CCc2ccccc2C1 ZINC000026727785 453804955 /nfs/dbraw/zinc/80/49/55/453804955.db2.gz GZGPROFPGNJTLF-GOSISDBHSA-N 0 3 340.427 3.485 20 5 EGBDHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000054226430 453917698 /nfs/dbraw/zinc/91/76/98/453917698.db2.gz IMUWSMSOIJCKLZ-YOEHRIQHSA-N 0 3 339.395 3.160 20 5 EGBDHN CCCC(=O)NC[C@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075683468 453918704 /nfs/dbraw/zinc/91/87/04/453918704.db2.gz XCUCQNCBTNREOB-LSDHHAIUSA-N 0 3 333.432 3.284 20 5 EGBDHN CC(C)C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000075986329 453945709 /nfs/dbraw/zinc/94/57/09/453945709.db2.gz IDHGKHIWHVGGSB-GFCCVEGCSA-N 0 3 342.827 3.346 20 5 EGBDHN Cc1c(NC(=O)CCN2CCC[C@H]2c2ccc[nH]2)cccc1[N+](=O)[O-] ZINC000067966633 453985064 /nfs/dbraw/zinc/98/50/64/453985064.db2.gz KOLWUHPJNBYHIL-KRWDZBQOSA-N 0 3 342.399 3.397 20 5 EGBDHN CCc1ccc([C@H](NC[C@@H](C)N(C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000612409694 460622994 /nfs/dbraw/zinc/62/29/94/460622994.db2.gz OMTUNUSPJAWPLT-FZKQIMNGSA-N 0 3 331.416 3.379 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000087100203 454062745 /nfs/dbraw/zinc/06/27/45/454062745.db2.gz TXBBVUJFVHIGOB-UHFFFAOYSA-N 0 3 327.384 3.228 20 5 EGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc([S@](C)=O)cc1 ZINC000089580951 454163103 /nfs/dbraw/zinc/16/31/03/454163103.db2.gz HCSMOKUQFGUNCU-YEBMWUKDSA-N 0 3 348.424 3.062 20 5 EGBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc([S@@](C)=O)cc1 ZINC000089580952 454163134 /nfs/dbraw/zinc/16/31/34/454163134.db2.gz HCSMOKUQFGUNCU-RZFZLAGVSA-N 0 3 348.424 3.062 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCCC[C@@H]1C ZINC000045951595 454200478 /nfs/dbraw/zinc/20/04/78/454200478.db2.gz BFHRVKZYOPYPAU-KBPBESRZSA-N 0 3 334.420 3.288 20 5 EGBDHN CN(C)C[C@@H]1CCCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000119966461 454243198 /nfs/dbraw/zinc/24/31/98/454243198.db2.gz NPKIICLPABEFIT-HNNXBMFYSA-N 0 3 347.459 3.449 20 5 EGBDHN CCN(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000046708239 454276111 /nfs/dbraw/zinc/27/61/11/454276111.db2.gz IJWIXYYUQAGYHD-CQSZACIVSA-N 0 3 331.372 3.001 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H]1CCC(C)(C)C[C@@H]1C ZINC000120802924 454349332 /nfs/dbraw/zinc/34/93/32/454349332.db2.gz LDWKBQMWFAECSY-JSGCOSHPSA-N 0 3 349.431 3.346 20 5 EGBDHN CN(c1ccc([N+](=O)[O-])cc1)C1CCN(CCc2ccccn2)CC1 ZINC000091476683 454440077 /nfs/dbraw/zinc/44/00/77/454440077.db2.gz VITGUNMBQMNGMA-UHFFFAOYSA-N 0 3 340.427 3.133 20 5 EGBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CN1C1CC1 ZINC000092672219 454607104 /nfs/dbraw/zinc/60/71/04/454607104.db2.gz UKCJIYMFUHDGQI-KOLCDFICSA-N 0 3 327.331 3.233 20 5 EGBDHN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CN1C1CC1 ZINC000092672229 454607456 /nfs/dbraw/zinc/60/74/56/454607456.db2.gz UKCJIYMFUHDGQI-GXSJLCMTSA-N 0 3 327.331 3.233 20 5 EGBDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](Cc2nccn2C)C1 ZINC000123832979 454679767 /nfs/dbraw/zinc/67/97/67/454679767.db2.gz BXOAWVKUPJIYSO-HUUCEWRRSA-N 0 3 328.416 3.344 20 5 EGBDHN COc1ccc(CNC[C@H](c2ccco2)N2CCCC2)cc1[N+](=O)[O-] ZINC000106465702 454696772 /nfs/dbraw/zinc/69/67/72/454696772.db2.gz RKQHGOLOQXRKLQ-MRXNPFEDSA-N 0 3 345.399 3.123 20 5 EGBDHN C[C@@H]1[C@@H](c2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177560187 454877905 /nfs/dbraw/zinc/87/79/05/454877905.db2.gz JXSIEFNJXPWELX-DYVFJYSZSA-N 0 3 339.395 3.072 20 5 EGBDHN Cc1ccc(NC(=O)CCN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000167154149 454918256 /nfs/dbraw/zinc/91/82/56/454918256.db2.gz DZCSFNLKWDFYFS-CQSZACIVSA-N 0 3 342.399 3.286 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000126921675 454926967 /nfs/dbraw/zinc/92/69/67/454926967.db2.gz NONJXBJLZNFASQ-HOCLYGCPSA-N 0 3 345.443 3.345 20 5 EGBDHN Cc1ccc([C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000127139040 454940438 /nfs/dbraw/zinc/94/04/38/454940438.db2.gz BHFGVSWOBVEAJI-QGZVFWFLSA-N 0 3 342.399 3.328 20 5 EGBDHN CC(C)CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 ZINC000114383362 454952164 /nfs/dbraw/zinc/95/21/64/454952164.db2.gz XNCLATRGOIKFFJ-RMKNXTFCSA-N 0 3 345.443 3.187 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC(=O)N1CCCCCC1 ZINC000129081405 455096633 /nfs/dbraw/zinc/09/66/33/455096633.db2.gz PRIBMJULJHYUMK-HNNXBMFYSA-N 0 3 333.432 3.347 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]3C3CCC3)n2)cc1 ZINC000264014921 455183616 /nfs/dbraw/zinc/18/36/16/455183616.db2.gz UFDKQGDNYDIWPE-OAHLLOKOSA-N 0 3 328.372 3.409 20 5 EGBDHN O=[N+]([O-])c1cnn(CCNC2(c3ccc(F)cc3F)CCCC2)c1 ZINC000181247204 455307267 /nfs/dbraw/zinc/30/72/67/455307267.db2.gz TZVFNHUDBMWUCF-UHFFFAOYSA-N 0 3 336.342 3.129 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000245524336 455320712 /nfs/dbraw/zinc/32/07/12/455320712.db2.gz NLCYSFPBENCQJF-GDBMZVCRSA-N 0 3 345.443 3.202 20 5 EGBDHN C[C@@H](c1cc2ccccc2o1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159688257 455396047 /nfs/dbraw/zinc/39/60/47/455396047.db2.gz HOQHUGPIHMPDTH-ZDUSSCGKSA-N 0 3 341.367 3.196 20 5 EGBDHN CC(C)C(=O)NC[C@@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266514788 455429387 /nfs/dbraw/zinc/42/93/87/455429387.db2.gz GDFALPNERSHIGN-CABCVRRESA-N 0 3 333.432 3.140 20 5 EGBDHN CCCC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccc(OC)cc1 ZINC000182139361 455444949 /nfs/dbraw/zinc/44/49/49/455444949.db2.gz WMAJXPFWXAPIFB-INIZCTEOSA-N 0 3 332.404 3.321 20 5 EGBDHN Cc1ccccc1C[C@@H](CO)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000191561153 455497144 /nfs/dbraw/zinc/49/71/44/455497144.db2.gz UJVAIPKAGBIKEN-YJBOKZPZSA-N 0 3 328.412 3.466 20 5 EGBDHN Cc1cccc(C[C@@H](CO)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000191599485 455501836 /nfs/dbraw/zinc/50/18/36/455501836.db2.gz SQIAVWQABOCPSN-YJBOKZPZSA-N 0 3 328.412 3.466 20 5 EGBDHN Cc1cc2ncc([C@H](C)NCCc3ccccc3[N+](=O)[O-])c(C)n2n1 ZINC000271365357 455612595 /nfs/dbraw/zinc/61/25/95/455612595.db2.gz FZFZKSCWHKZCJV-ZDUSSCGKSA-N 0 3 339.399 3.148 20 5 EGBDHN CCOc1cc(CN2CCC3(CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000283998727 455622056 /nfs/dbraw/zinc/62/20/56/455622056.db2.gz DKTRDQBKAFSEGM-UHFFFAOYSA-N 0 3 334.416 3.386 20 5 EGBDHN CN(C)[C@@H](CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000192598468 455649517 /nfs/dbraw/zinc/64/95/17/455649517.db2.gz LXBHLIPRZZDOJU-IRXDYDNUSA-N 0 3 329.400 3.458 20 5 EGBDHN COc1cccc([C@@H](O)CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192852862 455706827 /nfs/dbraw/zinc/70/68/27/455706827.db2.gz VQUYXKDBZIDICN-MOPGFXCFSA-N 0 3 342.395 3.304 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H]1CCCO[C@H]1CC(C)C ZINC000186398531 455760799 /nfs/dbraw/zinc/76/07/99/455760799.db2.gz CFDMCXZOXCYZMF-SJORKVTESA-N 0 3 349.431 3.025 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)c1 ZINC000271991734 455814447 /nfs/dbraw/zinc/81/44/47/455814447.db2.gz GMQSPUNTQPKQTD-HNNXBMFYSA-N 0 3 341.411 3.154 20 5 EGBDHN Cc1nc(NC[C@@H](c2cccs2)N2CCCC2)ncc1[N+](=O)[O-] ZINC000296193975 455876813 /nfs/dbraw/zinc/87/68/13/455876813.db2.gz BQHDDSCJAIHMLY-ZDUSSCGKSA-N 0 3 333.417 3.004 20 5 EGBDHN CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)Cc1ccsc1 ZINC000187795396 455953342 /nfs/dbraw/zinc/95/33/42/455953342.db2.gz TZKKYPDVTCNYIC-LBPRGKRZSA-N 0 3 347.440 3.208 20 5 EGBDHN O=[N+]([O-])c1cc(CN2CCNC[C@H]2c2ccccc2Cl)cs1 ZINC000262247017 456016762 /nfs/dbraw/zinc/01/67/62/456016762.db2.gz PPRGGKPWCNZQQI-AWEZNQCLSA-N 0 3 337.832 3.456 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC1CC1)CC1CCC1 ZINC000280691146 456032429 /nfs/dbraw/zinc/03/24/29/456032429.db2.gz HPPRQEGMWIJRPP-UHFFFAOYSA-N 0 3 347.415 3.054 20 5 EGBDHN CCOc1ccc([C@H](C)NC[C@H](O)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000271134004 456136748 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COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCc2ccccc2OC1 ZINC000801576041 1310969510 /nfs/dbraw/zinc/96/95/10/1310969510.db2.gz PSVVRKQKZPONSQ-OAHLLOKOSA-N 0 3 328.368 3.087 20 5 EGBDHN CN(C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000804361078 1317223669 /nfs/dbraw/zinc/22/36/69/1317223669.db2.gz YZSZRHGIMBLEOL-OAHLLOKOSA-N 0 3 348.334 3.357 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@](C)(O)c1cccc(F)c1 ZINC000903307490 1317684796 /nfs/dbraw/zinc/68/47/96/1317684796.db2.gz IQPYEVUSWJETKY-KPZWWZAWSA-N 0 3 348.374 3.301 20 5 EGBDHN CC1(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)CCCCC1 ZINC001020542797 1317757007 /nfs/dbraw/zinc/75/70/07/1317757007.db2.gz TVJONBNQJAXRLR-WKILWMFISA-N 0 3 345.443 3.302 20 5 EGBDHN C[C@H](O)c1ncc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000809634536 1317852232 /nfs/dbraw/zinc/85/22/32/1317852232.db2.gz GYXHPLUMBYJSII-VIFPVBQESA-N 0 3 341.820 3.090 20 5 EGBDHN CC(COC(=O)c1cc(-c2ccco2)nc2ccccc21)[N+](=O)[O-] ZINC000813105696 1318500683 /nfs/dbraw/zinc/50/06/83/1318500683.db2.gz RYNQKGCRILKVMO-LLVKDONJSA-N 0 3 326.308 3.317 20 5 EGBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1NC(=O)c1ccccc1 ZINC000813105774 1318501158 /nfs/dbraw/zinc/50/11/58/1318501158.db2.gz UJQXWXTZGPSYMH-ZDUSSCGKSA-N 0 3 342.351 3.069 20 5 EGBDHN CC(COC(=O)Cn1c2ccccc2nc1C1CCCCC1)[N+](=O)[O-] ZINC000813112829 1318502757 /nfs/dbraw/zinc/50/27/57/1318502757.db2.gz UHFHXZDJUBGXHR-ZDUSSCGKSA-N 0 3 345.399 3.292 20 5 EGBDHN CCN1CCCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910270415 1318590317 /nfs/dbraw/zinc/59/03/17/1318590317.db2.gz MEHSSKZYQYDAGF-LBPRGKRZSA-N 0 3 339.823 3.113 20 5 EGBDHN CCN1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000910284541 1318594756 /nfs/dbraw/zinc/59/47/56/1318594756.db2.gz QKIMMWOUQCVCRK-CQSZACIVSA-N 0 3 333.432 3.076 20 5 EGBDHN CC(COC(=O)c1cc(Br)c2ccccc2c1)[N+](=O)[O-] ZINC000816091051 1319098719 /nfs/dbraw/zinc/09/87/19/1319098719.db2.gz JCRXVOWYKUDTAL-SECBINFHSA-N 0 3 338.157 3.424 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC000930316746 1328832342 /nfs/dbraw/zinc/83/23/42/1328832342.db2.gz OGLYZTDVGZBLIJ-OAHLLOKOSA-N 0 3 346.431 3.350 20 5 EGBDHN CCn1nc(C)c(CN[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000818345968 1319533015 /nfs/dbraw/zinc/53/30/15/1319533015.db2.gz YXXGIXZJPQSAJH-HOCLYGCPSA-N 0 3 343.431 3.016 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000819001351 1319610297 /nfs/dbraw/zinc/61/02/97/1319610297.db2.gz LNRGGBSIWBXEOQ-GUDVDZBRSA-N 0 3 342.395 3.138 20 5 EGBDHN COc1cc(Cl)ccc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819040337 1319620512 /nfs/dbraw/zinc/62/05/12/1319620512.db2.gz WOJSNHKHXLGNGD-HNNXBMFYSA-N 0 3 336.775 3.080 20 5 EGBDHN CCCCCn1cc(CNC[C@H](O)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000819201096 1319667036 /nfs/dbraw/zinc/66/70/36/1319667036.db2.gz HAOAJSHJTDFUDN-SFHVURJKSA-N 0 3 346.431 3.113 20 5 EGBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000822517451 1320093617 /nfs/dbraw/zinc/09/36/17/1320093617.db2.gz XSXOZBIOFKKYEU-LHUXKHBRSA-N 0 3 326.396 3.448 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C(=O)NCCN2CCC(C)CC2)cc1Cl ZINC000836376398 1320480057 /nfs/dbraw/zinc/48/00/57/1320480057.db2.gz DJFWIBPWNLOQOC-UHFFFAOYSA-N 0 3 339.823 3.018 20 5 EGBDHN Cc1ccccc1OCC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845871901 1321747097 /nfs/dbraw/zinc/74/70/97/1321747097.db2.gz BLBOQDKXJSJQMG-UGSOOPFHSA-N 0 3 347.342 3.463 20 5 EGBDHN Cc1cccc(OCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845872936 1321747134 /nfs/dbraw/zinc/74/71/34/1321747134.db2.gz QVXYGWJSLVKEOH-UGSOOPFHSA-N 0 3 347.342 3.463 20 5 EGBDHN CCCc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n[nH]1 ZINC000845874178 1321748285 /nfs/dbraw/zinc/74/82/85/1321748285.db2.gz YAJNYDAZXZJDBX-MEBBXXQBSA-N 0 3 335.335 3.065 20 5 EGBDHN CC([C@H](OC(=O)CC[C@H]1CCCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845875901 1321748740 /nfs/dbraw/zinc/74/87/40/1321748740.db2.gz OBEDGYSBJMXQLT-XNJGSVPQSA-N 0 3 339.363 3.425 20 5 EGBDHN CC([C@H](OC(=O)CC[C@@H]1CCCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845875896 1321748868 /nfs/dbraw/zinc/74/88/68/1321748868.db2.gz OBEDGYSBJMXQLT-IGCXYCKISA-N 0 3 339.363 3.425 20 5 EGBDHN CC([C@H](OC(=O)CN(C)c1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845876634 1321748985 /nfs/dbraw/zinc/74/89/85/1321748985.db2.gz NEZPOVNMAGAAHJ-ACJLOTCBSA-N 0 3 346.358 3.212 20 5 EGBDHN Cc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C(C)C ZINC000845883805 1321751256 /nfs/dbraw/zinc/75/12/56/1321751256.db2.gz WCRGGSPYQSCEEK-MLGOLLRUSA-N 0 3 349.362 3.475 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1ccccc1[N+](=O)[O-] ZINC000850437272 1322249238 /nfs/dbraw/zinc/24/92/38/1322249238.db2.gz KGOUOUKLBJAREE-GFCCVEGCSA-N 0 3 345.355 3.405 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@](C)(O)c1cccs1 ZINC000850438769 1322249702 /nfs/dbraw/zinc/24/97/02/1322249702.db2.gz ZHWRTWKHIGRYBD-BZNIZROVSA-N 0 3 336.413 3.223 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCNc1cccc(C)n1 ZINC000850445581 1322250739 /nfs/dbraw/zinc/25/07/39/1322250739.db2.gz UPSARMLEAGTZRR-CYBMUJFWSA-N 0 3 330.388 3.070 20 5 EGBDHN COc1ccc(CN(C)C)cc1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000921280382 1322285265 /nfs/dbraw/zinc/28/52/65/1322285265.db2.gz GVQQHHGAJCMRBQ-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN CC(COC(=O)c1ccccc1COCc1ccccc1)[N+](=O)[O-] ZINC000860776248 1329353992 /nfs/dbraw/zinc/35/39/92/1329353992.db2.gz CTZHICNNUTUBDA-CQSZACIVSA-N 0 3 329.352 3.225 20 5 EGBDHN Cn1nc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1C1CC1 ZINC000927113096 1327872015 /nfs/dbraw/zinc/87/20/15/1327872015.db2.gz WHUZSFHHXPUOPS-KRWDZBQOSA-N 0 3 340.427 3.317 20 5 EGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCc1cc(C2CC2)n(C)n1 ZINC000927112933 1327872255 /nfs/dbraw/zinc/87/22/55/1327872255.db2.gz UPSFVFWYBAWVGF-ZDUSSCGKSA-N 0 3 328.416 3.317 20 5 EGBDHN CCCC(=O)N1CCC2(CCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001035149024 1342961435 /nfs/dbraw/zinc/96/14/35/1342961435.db2.gz XCEQLNLJUQTVID-UHFFFAOYSA-N 0 3 345.443 3.209 20 5 EGBDHN CC(C)C(=O)N1CCC2(CCN(Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001035158900 1342976217 /nfs/dbraw/zinc/97/62/17/1342976217.db2.gz UKJMDXFVDDBEDL-UHFFFAOYSA-N 0 3 345.443 3.065 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CCCC(F)(F)C2)c1[N+](=O)[O-] ZINC001120051915 1371469764 /nfs/dbraw/zinc/46/97/64/1371469764.db2.gz GGFNZJWBEONBBX-SNVBAGLBSA-N 0 3 330.331 3.224 20 5 EGBDHN O=[N+]([O-])c1cc2[n-]c(O[C@H]3CCC[C@]34CC[NH2+]C4)nc2cc1Cl ZINC001218097962 1373559882 /nfs/dbraw/zinc/55/98/82/1373559882.db2.gz WKGQJKOWMPUNHB-DZGCQCFKSA-N 0 3 336.779 3.036 20 5 EGBDHN CC(C)C[C@@](C)(N)C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001219256399 1373695983 /nfs/dbraw/zinc/69/59/83/1373695983.db2.gz RYVVLEVXHIVOKR-HXUWFJFHSA-N 0 3 337.423 3.092 20 5 EGBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1Oc1cncc([N+](=O)[O-])c1 ZINC001227985680 1375498713 /nfs/dbraw/zinc/49/87/13/1375498713.db2.gz XWDQVJIQLRATRR-KDOFPFPSSA-N 0 3 327.384 3.279 20 5 EGBDHN CN1CCC[C@H](Oc2c3ccccc3c([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001229421574 1375831250 /nfs/dbraw/zinc/83/12/50/1375831250.db2.gz PLPNWTBKUJJEAK-NSHDSACASA-N 0 3 331.328 3.129 20 5 EGBDHN O=[N+]([O-])c1cc2c[nH]nc2cc1O[C@H]1CCN(Cc2ccccc2)C1 ZINC001230595568 1376091907 /nfs/dbraw/zinc/09/19/07/1376091907.db2.gz KUVZUGXRQIPRQA-HNNXBMFYSA-N 0 3 338.367 3.124 20 5 EGBDHN Cc1noc([C@@H]2CCN(Cc3ccc4ccc5cccnc5c4n3)C2)n1 ZINC001232226312 1376420227 /nfs/dbraw/zinc/42/02/27/1376420227.db2.gz UJAHNDGSVAWBNV-MRXNPFEDSA-N 0 3 345.406 3.464 20 5 EGBDHN O=[N+]([O-])c1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC001233705197 1376699424 /nfs/dbraw/zinc/69/94/24/1376699424.db2.gz WBDDQJBSZGHISO-OAHLLOKOSA-N 0 3 343.339 3.156 20 5 EGBDHN CC(C)(C)CC(C)(C)C(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001151938307 1379819374 /nfs/dbraw/zinc/81/93/74/1379819374.db2.gz ITKVKODWFUJKFE-UHFFFAOYSA-N 0 3 335.448 3.263 20 5 EGBDHN O=C(CCC1CCCC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001154278285 1380245519 /nfs/dbraw/zinc/24/55/19/1380245519.db2.gz WNKWAWKEYALQAO-UHFFFAOYSA-N 0 3 333.432 3.161 20 5 EGBDHN O=C(CC1=CCCCC1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001155741111 1380488508 /nfs/dbraw/zinc/48/85/08/1380488508.db2.gz MHIHLLUENGSBQI-UHFFFAOYSA-N 0 3 337.445 3.143 20 5 EGBDHN CN1CCC[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@@H]21 ZINC001157266792 1380827476 /nfs/dbraw/zinc/82/74/76/1380827476.db2.gz XFKWZEZIMRACAU-RISCZKNCSA-N 0 3 346.818 3.327 20 5 EGBDHN CCN1CCN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C(C)(C)C1 ZINC001158563142 1381301286 /nfs/dbraw/zinc/30/12/86/1381301286.db2.gz ZFGFYXYPFCTDDP-UHFFFAOYSA-N 0 3 349.822 3.112 20 5 EGBDHN C[C@@H](Nc1ccc2ccc3ccc(Cl)nc3c2n1)[C@@H]1CNCCO1 ZINC001159499389 1381808278 /nfs/dbraw/zinc/80/82/78/1381808278.db2.gz PLXVCDPFRNOTOZ-RISCZKNCSA-N 0 3 342.830 3.225 20 5 EGBDHN Cc1c(-n2c3ccccc3nc2[C@@H](C)N)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162766352 1382865510 /nfs/dbraw/zinc/86/55/10/1382865510.db2.gz MXSYFBSDCFBFLE-SNVBAGLBSA-N 0 3 341.327 3.170 20 5 EGBDHN O=[N+]([O-])c1ccc2nc(N[C@@H]3CNCc4ccsc43)ccc2c1 ZINC001163219621 1382995710 /nfs/dbraw/zinc/99/57/10/1382995710.db2.gz CFNUVZBBDLNWQT-CQSZACIVSA-N 0 3 326.381 3.461 20 5 EGBDHN COc1ccc(O[C@@H](C)CNc2cc3c(cc2[N+](=O)[O-])CNC3)cc1 ZINC001164052098 1383150836 /nfs/dbraw/zinc/15/08/36/1383150836.db2.gz XGUUVOBIUGPNJG-LBPRGKRZSA-N 0 3 343.383 3.086 20 5 EGBDHN COc1cccc(-c2nc(CN[C@@H]3CC[C@H](C[N+](=O)[O-])C3)cs2)c1 ZINC001169008716 1384087621 /nfs/dbraw/zinc/08/76/21/1384087621.db2.gz UJAKANHKPOSKCY-GXTWGEPZSA-N 0 3 347.440 3.354 20 5 EGBDHN COc1ccc(C[C@@H](C)N[C@H]2COc3ccccc32)c([N+](=O)[O-])c1 ZINC001170305626 1384287122 /nfs/dbraw/zinc/28/71/22/1384287122.db2.gz OFKREEIMENRPCA-WBMJQRKESA-N 0 3 328.368 3.258 20 5 EGBDHN COc1ccc(C[C@@H](C)N2CC[C@H]3CCCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170336567 1384294260 /nfs/dbraw/zinc/29/42/60/1384294260.db2.gz ZMCQCUTUEHHWLU-HBUWYVDXSA-N 0 3 334.416 3.035 20 5 EGBDHN CCCN(CC(=O)OCC)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172918673 1384878288 /nfs/dbraw/zinc/87/82/88/1384878288.db2.gz CBAFCAFGQLLDCQ-MRXNPFEDSA-N 0 3 334.416 3.117 20 5 EGBDHN C[C@@H]1CN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@@H]1F ZINC001173010065 1384897811 /nfs/dbraw/zinc/89/78/11/1384897811.db2.gz LOTLDJZWVWCDRP-BMIGLBTASA-N 0 3 343.349 3.132 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001173222139 1384938474 /nfs/dbraw/zinc/93/84/74/1384938474.db2.gz PLRXBQLDILHMPW-ZFWWWQNUSA-N 0 3 349.431 3.125 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(O)cc2)CC1 ZINC001173224437 1384938996 /nfs/dbraw/zinc/93/89/96/1384938996.db2.gz FVEWTDAZGIYARI-OAHLLOKOSA-N 0 3 341.411 3.054 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCc1ccnc(OC2CCC2)n1 ZINC001173222976 1384939172 /nfs/dbraw/zinc/93/91/72/1384939172.db2.gz GFUUDALDQCSFCX-ZDUSSCGKSA-N 0 3 342.399 3.037 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCC2)[C@@H](F)C1 ZINC001173238444 1384942868 /nfs/dbraw/zinc/94/28/68/1384942868.db2.gz SPARSDNWYIKYBX-FHLIZLRMSA-N 0 3 335.423 3.034 20 5 EGBDHN CCCN1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001340092916 1390224775 /nfs/dbraw/zinc/22/47/75/1390224775.db2.gz LKPSCDPPCJUXLN-ZBFHGGJFSA-N 0 3 333.432 3.345 20 5 EGBDHN COC(=O)[C@@H]1CC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001335101521 1390642879 /nfs/dbraw/zinc/64/28/79/1390642879.db2.gz JMJFLOYWDCILGH-SKDRFNHKSA-N 0 3 346.305 3.045 20 5 EGBDHN CCOc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC001345114349 1390838358 /nfs/dbraw/zinc/83/83/58/1390838358.db2.gz WHYFXRDMIYAIEH-MEDUHNTESA-N 0 3 348.330 3.183 20 5 EGBDHN CN(CCCNC(=O)CC1CC(C)(C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001752046359 1440135543 /nfs/dbraw/zinc/13/55/43/1440135543.db2.gz NBBJNPCAVKJMPW-UHFFFAOYSA-N 0 3 347.459 3.359 20 5 EGBDHN NC(=O)c1ccc(CN2CCC[C@H]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000053211797 214169902 /nfs/dbraw/zinc/16/99/02/214169902.db2.gz WAJGYQMHMIYJKL-INIZCTEOSA-N 0 3 331.416 3.238 20 5 EGBDHN Cc1ccc([C@H](C)NCCC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000129065858 223017084 /nfs/dbraw/zinc/01/70/84/223017084.db2.gz GJBRUAFCBGPAEE-HNNXBMFYSA-N 0 3 333.432 3.347 20 5 EGBDHN O=C(N[C@@H]1CCN(C2CCCC2)C1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000359056094 284055292 /nfs/dbraw/zinc/05/52/92/284055292.db2.gz NFOUONNLKDUASL-CYBMUJFWSA-N 0 3 343.383 3.088 20 5 EGBDHN Cc1cccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000110348627 220031742 /nfs/dbraw/zinc/03/17/42/220031742.db2.gz VKCWMPONQCOKCX-HNNXBMFYSA-N 0 3 341.411 3.154 20 5 EGBDHN Cc1cc([C@](C)(O)CNC/C=C/c2ccccc2[N+](=O)[O-])c(C)o1 ZINC000266185926 248156299 /nfs/dbraw/zinc/15/62/99/248156299.db2.gz WXIXQZWYRQXYAZ-JHTBKMLMSA-N 0 3 330.384 3.315 20 5 EGBDHN COc1ccc(COCCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000092855764 218177137 /nfs/dbraw/zinc/17/71/37/218177137.db2.gz AYAOTKRBYGGQCW-AWEZNQCLSA-N 0 3 330.384 3.471 20 5 EGBDHN Cc1c(CN2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000112700708 220377611 /nfs/dbraw/zinc/37/76/11/220377611.db2.gz QGQUWGKEBDQQRW-HNNXBMFYSA-N 0 3 347.459 3.278 20 5 EGBDHN COc1ccc(-c2ccc(CNC[C@@H]3CCCOC3)o2)c([N+](=O)[O-])c1 ZINC000237429287 141001974 /nfs/dbraw/zinc/00/19/74/141001974.db2.gz OIRPGTSGLQAFCM-ZDUSSCGKSA-N 0 3 346.383 3.380 20 5 EGBDHN Cc1ccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246799702 141034921 /nfs/dbraw/zinc/03/49/21/141034921.db2.gz QSHAKTOSSYRQOZ-WMZOPIPTSA-N 0 3 329.444 3.352 20 5 EGBDHN O=[N+]([O-])c1ccccc1CNCCc1cc(C(F)(F)F)ccn1 ZINC000339481369 141121050 /nfs/dbraw/zinc/12/10/50/141121050.db2.gz CRCIDGHBIPCLGU-UHFFFAOYSA-N 0 3 325.290 3.341 20 5 EGBDHN CC(C)(C(=O)NC[C@@H]1CCCCN1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000350681068 141259948 /nfs/dbraw/zinc/25/99/48/141259948.db2.gz HKYVWLYGNGVUBQ-HNNXBMFYSA-N 0 3 345.443 3.006 20 5 EGBDHN COc1cc(CN(C)CCOc2ccccc2[N+](=O)[O-])cc(OC)c1 ZINC000353456755 141300238 /nfs/dbraw/zinc/30/02/38/141300238.db2.gz WZMVCVOTADUIFR-UHFFFAOYSA-N 0 3 346.383 3.123 20 5 EGBDHN O=[N+]([O-])c1ccccc1OCCN[C@@H]1CCCc2c(O)cccc21 ZINC000192362797 144173670 /nfs/dbraw/zinc/17/36/70/144173670.db2.gz PACMALPKAUNPRB-OAHLLOKOSA-N 0 3 328.368 3.346 20 5 EGBDHN CCO[C@@H]1C[C@@H](O)C12CCN([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000305830275 286296412 /nfs/dbraw/zinc/29/64/12/286296412.db2.gz NWKKZMORXLJQGD-ZTFGCOKTSA-N 0 3 348.443 3.216 20 5 EGBDHN CC(C)n1cnnc1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000118860385 152159300 /nfs/dbraw/zinc/15/93/00/152159300.db2.gz DMBKINDMTDDZJF-OAHLLOKOSA-N 0 3 329.404 3.147 20 5 EGBDHN CN(C)CCN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000348906015 156284242 /nfs/dbraw/zinc/28/42/42/156284242.db2.gz SMIOFHWTKAIIJK-UHFFFAOYSA-N 0 3 337.420 3.359 20 5 EGBDHN CC[C@@H](C)[C@@](C)(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000112380187 162173847 /nfs/dbraw/zinc/17/38/47/162173847.db2.gz UCENCFKNLNNIOW-BMIGLBTASA-N 0 3 332.347 3.083 20 5 EGBDHN CC[C@H](NCCC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000129292514 162352416 /nfs/dbraw/zinc/35/24/16/162352416.db2.gz DEXDMOAPPKNULN-SFHVURJKSA-N 0 3 341.411 3.342 20 5 EGBDHN CC[C@@H]1CCCCN1CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346128040 164344455 /nfs/dbraw/zinc/34/44/55/164344455.db2.gz ZWIJQOMZZHULIL-CQSZACIVSA-N 0 3 339.823 3.243 20 5 EGBDHN COc1ccccc1[C@H]1CC[C@@H](C)CN1CCn1cc([N+](=O)[O-])cn1 ZINC000352249938 165309049 /nfs/dbraw/zinc/30/90/49/165309049.db2.gz AVULQOUKUAFXOZ-RHSMWYFYSA-N 0 3 344.415 3.273 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CCC[C@]2(CO)Cc2ccccc2)c(F)c1 ZINC000355335212 166167947 /nfs/dbraw/zinc/16/79/47/166167947.db2.gz ASOPLXPBMZQSQK-LJQANCHMSA-N 0 3 344.386 3.304 20 5 EGBDHN COCCN(Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1CC=CCC1 ZINC000362239663 167708305 /nfs/dbraw/zinc/70/83/05/167708305.db2.gz UYCIANXUTHMCRV-OAHLLOKOSA-N 0 3 334.416 3.408 20 5 EGBDHN CCc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1[N+](=O)[O-] ZINC000174016474 265018125 /nfs/dbraw/zinc/01/81/25/265018125.db2.gz SUYORMVEYXZLGZ-UHFFFAOYSA-N 0 3 341.411 3.149 20 5 EGBDHN CC[C@@H](CO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237005496 266221395 /nfs/dbraw/zinc/22/13/95/266221395.db2.gz YYYSYEHXWAEOKW-AWEZNQCLSA-N 0 3 334.347 3.387 20 5 EGBDHN COc1ccc(CN(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000269662233 266336122 /nfs/dbraw/zinc/33/61/22/266336122.db2.gz QUPFRNLUHPHPAI-QGZVFWFLSA-N 0 3 330.384 3.077 20 5 EGBDHN Cc1ccc(C)n1C1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269656936 266336584 /nfs/dbraw/zinc/33/65/84/266336584.db2.gz OURJGLQPWXDIBO-LJQANCHMSA-N 0 3 343.427 3.384 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@@H](O)CCc1ccccc1 ZINC000273084091 266974007 /nfs/dbraw/zinc/97/40/07/266974007.db2.gz JPLYEQJSIRSZHU-OPUMOTSWSA-N 0 3 326.396 3.191 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN2Cc3ccccc3[C@@H](c3ccccc3)C2)n1 ZINC000176202770 275040461 /nfs/dbraw/zinc/04/04/61/275040461.db2.gz UUPRNJIHBMSRKC-LJQANCHMSA-N 0 3 348.406 3.439 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN3CCCC[C@H]23)c(Br)c1 ZINC000043596796 275129346 /nfs/dbraw/zinc/12/93/46/275129346.db2.gz YPEQVIPLUQNWJV-UONOGXRCSA-N 0 3 340.221 3.396 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN3CCCC[C@H]23)c(Br)c1 ZINC000043596795 275129380 /nfs/dbraw/zinc/12/93/80/275129380.db2.gz YPEQVIPLUQNWJV-ZIAGYGMSSA-N 0 3 340.221 3.396 20 5 EGBDHN C[C@@H]1C[C@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CN1C1CC1 ZINC000278686557 275265604 /nfs/dbraw/zinc/26/56/04/275265604.db2.gz IMERNNJLMZIOBQ-MFKMUULPSA-N 0 3 343.349 3.328 20 5 EGBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(N2CCCC2)nc1 ZINC000289644321 276371303 /nfs/dbraw/zinc/37/13/03/276371303.db2.gz XRVJLCAZBJZIPG-UHFFFAOYSA-N 0 3 340.427 3.265 20 5 EGBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C)N1C ZINC000338793284 279882372 /nfs/dbraw/zinc/88/23/72/279882372.db2.gz KEINWAPMDQTVDO-KBPBESRZSA-N 0 3 326.400 3.186 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)c1 ZINC000151968224 281008594 /nfs/dbraw/zinc/00/85/94/281008594.db2.gz BQDNUESHCXYROY-QGZVFWFLSA-N 0 3 341.411 3.456 20 5 EGBDHN COc1ccc([C@@H](CO)CN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000414189009 309065805 /nfs/dbraw/zinc/06/58/05/309065805.db2.gz QUOXKYFLHTYIAV-CZUORRHYSA-N 0 3 330.384 3.030 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414312658 309072277 /nfs/dbraw/zinc/07/22/77/309072277.db2.gz NXVLVOSWWHPYQX-CJNGLKHVSA-N 0 3 332.375 3.469 20 5 EGBDHN CC(C)CN(CCN(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000170703883 307934409 /nfs/dbraw/zinc/93/44/09/307934409.db2.gz TXLVPSNVYMHNCF-UHFFFAOYSA-N 0 3 342.827 3.300 20 5 EGBDHN CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCCOC1 ZINC000293005631 308089498 /nfs/dbraw/zinc/08/94/98/308089498.db2.gz HBWFKFWFSMISSL-LLVKDONJSA-N 0 3 332.322 3.472 20 5 EGBDHN CC(C)(CO)[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000293138533 308102932 /nfs/dbraw/zinc/10/29/32/308102932.db2.gz SRJGZLWBSAQQPJ-MRXNPFEDSA-N 0 3 345.399 3.137 20 5 EGBDHN C[C@H](C[C@@H](O)c1cccs1)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294814011 308260091 /nfs/dbraw/zinc/26/00/91/308260091.db2.gz PWSBIIIRRHATLA-UEKVPHQBSA-N 0 3 335.429 3.401 20 5 EGBDHN CSc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)N(C)C)cc1 ZINC000294833162 308262275 /nfs/dbraw/zinc/26/22/75/308262275.db2.gz AIAVIBOKCYTBRX-OAHLLOKOSA-N 0 3 347.444 3.130 20 5 EGBDHN Cn1cc(CN[C@@H]2C[C@H]2c2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414564799 309089811 /nfs/dbraw/zinc/08/98/11/309089811.db2.gz DCLHDZJXUSCSON-HZPDHXFCSA-N 0 3 338.367 3.234 20 5 EGBDHN C[C@@H]1[C@@H](CO)CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414579770 309090370 /nfs/dbraw/zinc/09/03/70/309090370.db2.gz QAKQAHJRNWSLOO-UKRRQHHQSA-N 0 3 330.384 3.448 20 5 EGBDHN CCOc1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1[N+](=O)[O-] ZINC000295844698 308366284 /nfs/dbraw/zinc/36/62/84/308366284.db2.gz DHVXUWBOIGDVRA-XYPHTWIQSA-N 0 3 332.400 3.041 20 5 EGBDHN CC[C@H](C)NCc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000296102295 308393648 /nfs/dbraw/zinc/39/36/48/308393648.db2.gz UIIOBHUPDOMMHI-VIFPVBQESA-N 0 3 336.310 3.433 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCNC[C@H]1c1ccccc1 ZINC000313345431 308765165 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COc1ccc(-c2ccc(CN[C@@H]3CCC[C@@H]3CO)o2)c([N+](=O)[O-])c1 ZINC000449706695 310081855 /nfs/dbraw/zinc/08/18/55/310081855.db2.gz OFWJVYFJOYWAGY-MLGOLLRUSA-N 0 3 346.383 3.114 20 5 EGBDHN Cc1ccccc1[C@@H]([C@@H](C)Nc1ncc([N+](=O)[O-])c(C)n1)N(C)C ZINC000450537346 310128777 /nfs/dbraw/zinc/12/87/77/310128777.db2.gz XADGBPOHCRLMNX-CZUORRHYSA-N 0 3 329.404 3.105 20 5 EGBDHN CC(C)N1CCC[C@@H](N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451551785 310185669 /nfs/dbraw/zinc/18/56/69/310185669.db2.gz VIMFUKDBOLWAHD-FUHWJXTLSA-N 0 3 345.443 3.174 20 5 EGBDHN CCN1CCCC[C@H]1C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452846639 310245175 /nfs/dbraw/zinc/24/51/75/310245175.db2.gz KHCKPCVBKFUSNG-AEFFLSMTSA-N 0 3 345.443 3.175 20 5 EGBDHN Cc1cccc(CN(CCN(C)C)c2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000471752498 310745629 /nfs/dbraw/zinc/74/56/29/310745629.db2.gz ZFEVBWTUIROYCB-UHFFFAOYSA-N 0 3 328.416 3.175 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN[C@@H]1CCCO[C@@H]1CC(C)C ZINC000481723415 310920148 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CCCN(CCN1CCCCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000567199073 316581459 /nfs/dbraw/zinc/58/14/59/316581459.db2.gz PBCHJSSFRMQYJJ-UHFFFAOYSA-N 0 3 347.459 3.252 20 5 EGBDHN COc1cc(F)c(CNCCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000569853458 316973769 /nfs/dbraw/zinc/97/37/69/316973769.db2.gz HQCHIAOBIXKEJM-UHFFFAOYSA-N 0 3 334.347 3.083 20 5 EGBDHN CN(C)C[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171510981 323238434 /nfs/dbraw/zinc/23/84/34/323238434.db2.gz NRHJYHGIEWGJRU-CQSZACIVSA-N 0 3 347.440 3.366 20 5 EGBDHN CN(C)[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000575136875 324425098 /nfs/dbraw/zinc/42/50/98/324425098.db2.gz MMGITLZNHMZWIX-PKOBYXMFSA-N 0 3 325.412 3.475 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](CO)c1ccc(F)cc1 ZINC000579928114 325177919 /nfs/dbraw/zinc/17/79/19/325177919.db2.gz KBJNHZIPDPFVQP-HIFRSBDPSA-N 0 3 332.375 3.469 20 5 EGBDHN C[C@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)Cc1ccccc1 ZINC000583034514 325489991 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O=C(CN1CCC[C@H]1C1CCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000055927443 454026168 /nfs/dbraw/zinc/02/61/68/454026168.db2.gz IEPGHMKUZZBYDX-KRWDZBQOSA-N 0 3 343.427 3.139 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(C)(C)N1CCCCC1 ZINC000043149759 454045331 /nfs/dbraw/zinc/04/53/31/454045331.db2.gz BVZQSQSZUVUIQY-UHFFFAOYSA-N 0 3 334.420 3.289 20 5 EGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCC(C)(C)N1CCCCC1 ZINC000043190744 454048344 /nfs/dbraw/zinc/04/83/44/454048344.db2.gz FFMOCAGONCWMIL-UHFFFAOYSA-N 0 3 348.447 3.001 20 5 EGBDHN Cc1ccc(NC(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000056520161 454063594 /nfs/dbraw/zinc/06/35/94/454063594.db2.gz XPQLBYOWDUCOBS-JSGCOSHPSA-N 0 3 334.420 3.145 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000094124938 454188191 /nfs/dbraw/zinc/18/81/91/454188191.db2.gz KLDAUTSSVHVJJS-MRXNPFEDSA-N 0 3 345.443 3.220 20 5 EGBDHN C[C@H]1CCN(c2ncccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000266192831 455425362 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COCCO[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000188826229 456146924 /nfs/dbraw/zinc/14/69/24/456146924.db2.gz LXOVTYSLMRBTQL-CQSZACIVSA-N 0 3 346.383 3.092 20 5 EGBDHN Cc1cc(NCc2ccccc2CN2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000273188256 456206570 /nfs/dbraw/zinc/20/65/70/456206570.db2.gz MPTQDTZEMZVQAN-GOSISDBHSA-N 0 3 341.411 3.082 20 5 EGBDHN Cc1ccc(CN[C@@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000290126402 456247451 /nfs/dbraw/zinc/24/74/51/456247451.db2.gz MOQZFLAERQFXLN-KRWDZBQOSA-N 0 3 331.391 3.435 20 5 EGBDHN CC[C@@H]1CCCCN1CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000301916813 456250505 /nfs/dbraw/zinc/25/05/05/456250505.db2.gz HFJNNZZYANPNNC-GFCCVEGCSA-N 0 3 325.384 3.419 20 5 EGBDHN O=C(CCN1CCS[C@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000281861679 456341626 /nfs/dbraw/zinc/34/16/26/456341626.db2.gz AORRVSSTXGWZQP-HOTGVXAUSA-N 0 3 349.456 3.283 20 5 EGBDHN COc1ccc(-c2ccc(CNC3(CO)CCCC3)o2)c([N+](=O)[O-])c1 ZINC000347796498 456372449 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EGBDHN COCCO[C@H]1CCCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000338958088 456877843 /nfs/dbraw/zinc/87/78/43/456877843.db2.gz RWSDKOJQQQPEKO-RXBGNRNISA-N 0 3 334.416 3.126 20 5 EGBDHN COc1ccc(-c2ccc(CN3CCOC[C@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000353743512 456884235 /nfs/dbraw/zinc/88/42/35/456884235.db2.gz XRGDCEXNOWFIJB-CYBMUJFWSA-N 0 3 346.383 3.332 20 5 EGBDHN CC(C)(CO)[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000354072289 457044336 /nfs/dbraw/zinc/04/43/36/457044336.db2.gz GKSSYPWJZNPDQL-XOWYPZSQSA-N 0 3 341.411 3.352 20 5 EGBDHN COc1c(C(=O)Nc2cc(C)cc(CN(C)C)c2)cccc1[N+](=O)[O-] ZINC000356570192 457060895 /nfs/dbraw/zinc/06/08/95/457060895.db2.gz WEIRXGKOAFSKKC-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN Cc1c(NC(=O)CCN2CCC(C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000362730508 457067932 /nfs/dbraw/zinc/06/79/32/457067932.db2.gz XXICWLJGICMNJA-UHFFFAOYSA-N 0 3 341.358 3.209 20 5 EGBDHN Cc1cnc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000342197304 457162663 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Cc1ncc([N+](=O)[O-])n1CCN(C)[C@H](C)CSc1ccccc1 ZINC000602862447 460164065 /nfs/dbraw/zinc/16/40/65/460164065.db2.gz JEGUFXMAAKKIRO-CYBMUJFWSA-N 0 3 334.445 3.212 20 5 EGBDHN COc1ccc(OCCN[C@H](C)c2cnc(C)s2)c([N+](=O)[O-])c1 ZINC000602958345 460201884 /nfs/dbraw/zinc/20/18/84/460201884.db2.gz WVEAFCHZXXWFBN-SNVBAGLBSA-N 0 3 337.401 3.098 20 5 EGBDHN Cc1cccc(C)c1OC[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610804527 460240427 /nfs/dbraw/zinc/24/04/27/460240427.db2.gz ZABVZTFHZLAMOH-QAPCUYQASA-N 0 3 344.411 3.302 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC(F)(F)C[C@@H]1C ZINC000599621816 460289987 /nfs/dbraw/zinc/28/99/87/460289987.db2.gz GPMIQDXBYGKSSK-LBPRGKRZSA-N 0 3 341.358 3.351 20 5 EGBDHN COc1ccc(OCCN(C)Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000603845950 460346750 /nfs/dbraw/zinc/34/67/50/460346750.db2.gz CIXRKEQPBMRBCN-UHFFFAOYSA-N 0 3 330.384 3.423 20 5 EGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)c1ccccn1 ZINC000611469199 460371228 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CN1CC[C@@H](NCc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000729681686 574878097 /nfs/dbraw/zinc/87/80/97/574878097.db2.gz ILFAHBBYZIMTCK-OAHLLOKOSA-N 0 3 345.374 3.320 20 5 EGBDHN O=[N+]([O-])c1ccc2nc(NC3CCN(CC4CC4)CC3)sc2c1 ZINC000731206821 575059919 /nfs/dbraw/zinc/05/99/19/575059919.db2.gz VEDKIJUDIXXVTK-UHFFFAOYSA-N 0 3 332.429 3.491 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H](CO)C3CC3)o2)c(Cl)c1 ZINC000734161461 575450176 /nfs/dbraw/zinc/45/01/76/575450176.db2.gz RYRJRALXQSWBRX-HNNXBMFYSA-N 0 3 336.775 3.369 20 5 EGBDHN CC[C@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)N(CC)CC ZINC000750017222 1299324272 /nfs/dbraw/zinc/32/42/72/1299324272.db2.gz KECIFRLUMVROOF-OAHLLOKOSA-N 0 3 345.403 3.044 20 5 EGBDHN CCOc1ccc([C@@H](C)NCCc2nc(C(C)C)no2)cc1[N+](=O)[O-] ZINC000089577531 1292772461 /nfs/dbraw/zinc/77/24/61/1292772461.db2.gz IJQCTLNDMROXGP-GFCCVEGCSA-N 0 3 348.403 3.393 20 5 EGBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000093503049 1292923855 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C[C@@H]1[C@@H](NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCN1C ZINC000344332832 164158513 /nfs/dbraw/zinc/15/85/13/164158513.db2.gz ZTQGWWARVQVPIE-CJNGLKHVSA-N 0 3 329.400 3.427 20 5 EGBDHN COc1ccc(-c2ccc(CNCC3(CO)CCC3)o2)c([N+](=O)[O-])c1 ZINC000344353745 164162706 /nfs/dbraw/zinc/16/27/06/164162706.db2.gz QWLCGIDRIFZTFC-UHFFFAOYSA-N 0 3 346.383 3.116 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@@H](CCO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000344531842 164187901 /nfs/dbraw/zinc/18/79/01/164187901.db2.gz FQMQWFXTXCHOAA-INIZCTEOSA-N 0 3 348.399 3.360 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)c1 ZINC000351904913 165143523 /nfs/dbraw/zinc/14/35/23/165143523.db2.gz RCYPPMKILQKWNZ-LJQANCHMSA-N 0 3 342.395 3.265 20 5 EGBDHN COc1ccc(-c2ccc(CNCCC(C)(C)O)o2)c([N+](=O)[O-])c1 ZINC000359412029 167148481 /nfs/dbraw/zinc/14/84/81/167148481.db2.gz SYLYCJNXURHOFR-UHFFFAOYSA-N 0 3 334.372 3.114 20 5 EGBDHN CC[C@H](C)N[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000359538172 167184859 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C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@@H]1C ZINC000413594269 309038755 /nfs/dbraw/zinc/03/87/55/309038755.db2.gz XJSHBZAGLNNTHK-MJBXVCDLSA-N 0 3 333.432 3.207 20 5 EGBDHN C[C@H](C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000413823411 309049123 /nfs/dbraw/zinc/04/91/23/309049123.db2.gz AANKHHICSADQPF-HZSPNIEDSA-N 0 3 333.432 3.207 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCCC[C@@H]3O)o2)cc1 ZINC000077465363 307412560 /nfs/dbraw/zinc/41/25/60/307412560.db2.gz OJUBYGRVYNLJFF-PBHICJAKSA-N 0 3 330.384 3.496 20 5 EGBDHN C[C@H](C[C@H](O)c1cccs1)N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294814008 308259967 /nfs/dbraw/zinc/25/99/67/308259967.db2.gz PWSBIIIRRHATLA-HFAKWTLXSA-N 0 3 335.429 3.401 20 5 EGBDHN C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CCN(C2CC2)C1 ZINC000295000442 308280191 /nfs/dbraw/zinc/28/01/91/308280191.db2.gz RSNRDDWESBPPAX-ZDUSSCGKSA-N 0 3 326.400 3.064 20 5 EGBDHN CC[C@@](CNCc1csc([N+](=O)[O-])c1)(C(=O)OC)c1ccccc1 ZINC000414590061 309091068 /nfs/dbraw/zinc/09/10/68/309091068.db2.gz QUJKHNISNHLQQP-KRWDZBQOSA-N 0 3 348.424 3.267 20 5 EGBDHN Cc1ccccc1CN1CCC(Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295536437 308336701 /nfs/dbraw/zinc/33/67/01/308336701.db2.gz NXZYYRWTJONTRS-UHFFFAOYSA-N 0 3 341.415 3.078 20 5 EGBDHN CC(C)N(CCN(C)C)C(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000297674281 308555177 /nfs/dbraw/zinc/55/51/77/308555177.db2.gz HPHLBTUFHXEJQR-UHFFFAOYSA-N 0 3 347.337 3.026 20 5 EGBDHN CC(C)N1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000298165125 308589573 /nfs/dbraw/zinc/58/95/73/308589573.db2.gz VOGATXCCOIABCT-UHFFFAOYSA-N 0 3 339.823 3.193 20 5 EGBDHN Cc1ccnc(NCC2(N3CCSCC3)CCCC2)c1[N+](=O)[O-] ZINC000301272102 308694377 /nfs/dbraw/zinc/69/43/77/308694377.db2.gz HYTGKFFKZNACOI-UHFFFAOYSA-N 0 3 336.461 3.072 20 5 EGBDHN O=[N+]([O-])c1cc(F)c(N2CCC[C@@H]2CN2CCCCC2)c(F)c1 ZINC000302406390 308736884 /nfs/dbraw/zinc/73/68/84/308736884.db2.gz GSFXLAOSQCLUEW-GFCCVEGCSA-N 0 3 325.359 3.328 20 5 EGBDHN CC(C)(NCCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000411230405 308931863 /nfs/dbraw/zinc/93/18/63/308931863.db2.gz PSGANLVYFMVZFS-UHFFFAOYSA-N 0 3 327.384 3.448 20 5 EGBDHN CC1CCN(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413048399 309013309 /nfs/dbraw/zinc/01/33/09/309013309.db2.gz AYODPRWWTYOKSA-UHFFFAOYSA-N 0 3 332.326 3.152 20 5 EGBDHN CC1(C)CCCN1CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413325160 309026895 /nfs/dbraw/zinc/02/68/95/309026895.db2.gz ULGSQPOASFRRFK-UHFFFAOYSA-N 0 3 332.326 3.295 20 5 EGBDHN COc1ccc(CN2C[C@@H](C)NCc3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000414870915 309106570 /nfs/dbraw/zinc/10/65/70/309106570.db2.gz MXXXGCSZRYPVPL-GFCCVEGCSA-N 0 3 345.374 3.241 20 5 EGBDHN Cc1cc(N2C[C@H]3CCC[C@@H](C2)N3)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420242395 309277898 /nfs/dbraw/zinc/27/78/98/309277898.db2.gz UWJXMFWVAUWVAA-PHIMTYICSA-N 0 3 329.322 3.253 20 5 EGBDHN CC1(C)CN(c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CCN1 ZINC000420287432 309279567 /nfs/dbraw/zinc/27/95/67/309279567.db2.gz XMUONXCGOAKBEB-UHFFFAOYSA-N 0 3 339.395 3.014 20 5 EGBDHN Cc1c([C@@H](C)NC[C@@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000423414352 309399371 /nfs/dbraw/zinc/39/93/71/309399371.db2.gz CBVIDAPGSGFZOS-KDOFPFPSSA-N 0 3 325.412 3.441 20 5 EGBDHN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@]1(N(C)C)CCSC1 ZINC000444826931 309931609 /nfs/dbraw/zinc/93/16/09/309931609.db2.gz JBDWPWJOIDKTQY-AWEZNQCLSA-N 0 3 329.853 3.406 20 5 EGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc2c1OCCCO2 ZINC000449197345 310043950 /nfs/dbraw/zinc/04/39/50/310043950.db2.gz VGXVDEMSBZMYLD-CQSZACIVSA-N 0 3 342.395 3.477 20 5 EGBDHN COc1cc(CNCCc2cc(C)ccc2F)c([N+](=O)[O-])cc1OC ZINC000449553789 310071200 /nfs/dbraw/zinc/07/12/00/310071200.db2.gz NMXDURROBNYUER-UHFFFAOYSA-N 0 3 348.374 3.392 20 5 EGBDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2cccc([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000449654932 310077872 /nfs/dbraw/zinc/07/78/72/310077872.db2.gz FYCYEOZQOZWCMM-BRWVUGGUSA-N 0 3 344.415 3.078 20 5 EGBDHN O=[N+]([O-])c1cc(CN[C@H]2C[C@@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000449749443 310084228 /nfs/dbraw/zinc/08/42/28/310084228.db2.gz PMIQZTHVXTZDPW-OKILXGFUSA-N 0 3 332.331 3.139 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H](N4CC=CC4)C3)n2)cc1 ZINC000450355370 310117536 /nfs/dbraw/zinc/11/75/36/310117536.db2.gz QOSMQWAUEYFGCQ-OAHLLOKOSA-N 0 3 342.424 3.169 20 5 EGBDHN CCOc1cc(CN[C@@H]2C[C@H](OCC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451483373 310180697 /nfs/dbraw/zinc/18/06/97/310180697.db2.gz VNGUVXLRTUTUJD-SJORKVTESA-N 0 3 334.416 3.431 20 5 EGBDHN COc1cc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000451544068 310184579 /nfs/dbraw/zinc/18/45/79/310184579.db2.gz DIQYHDXIOVEWSU-MRXNPFEDSA-N 0 3 327.384 3.378 20 5 EGBDHN Cc1ccc(CN(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1C ZINC000452040108 310208957 /nfs/dbraw/zinc/20/89/57/310208957.db2.gz FQMJNDABMULHPM-KRWDZBQOSA-N 0 3 344.411 3.083 20 5 EGBDHN CC(C)N1CC[C@H](N(C)Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000452116525 310213213 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CCOc1ccc([C@@H](C)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000504893848 312011915 /nfs/dbraw/zinc/01/19/15/312011915.db2.gz INNFGFRQBRPACD-HUUCEWRRSA-N 0 3 335.448 3.376 20 5 EGBDHN COCCN(C)CC[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000505583026 312027309 /nfs/dbraw/zinc/02/73/09/312027309.db2.gz XZFMJZQHMTVEFZ-INIZCTEOSA-N 0 3 344.415 3.111 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000505845363 312036351 /nfs/dbraw/zinc/03/63/51/312036351.db2.gz LTAJGONPIFUBMX-MRXNPFEDSA-N 0 3 342.395 3.375 20 5 EGBDHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000511522460 312162229 /nfs/dbraw/zinc/16/22/29/312162229.db2.gz LTOAMUVJYZKXTC-NVXWUHKLSA-N 0 3 347.459 3.420 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)Cc1cccc(F)c1 ZINC000515599115 312290942 /nfs/dbraw/zinc/29/09/42/312290942.db2.gz HLAORYHNNXDKHD-SUMWQHHRSA-N 0 3 332.375 3.297 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(CCC(C)(C)C)CC1 ZINC000515743573 312296198 /nfs/dbraw/zinc/29/61/98/312296198.db2.gz GYASETIRARGTMP-UHFFFAOYSA-N 0 3 335.448 3.157 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CN1CCC[C@@H](C)C1 ZINC000537641122 314199287 /nfs/dbraw/zinc/19/92/87/314199287.db2.gz OBGAVVSEBNZVKN-IUODEOHRSA-N 0 3 347.459 3.370 20 5 EGBDHN CC[C@H]1CCCCN1CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000555312034 315378318 /nfs/dbraw/zinc/37/83/18/315378318.db2.gz ASXDPANLGHRNJM-HOCLYGCPSA-N 0 3 333.432 3.079 20 5 EGBDHN Cc1nc(NC[C@@H](c2ccc(Cl)cc2)N(C)C)ncc1[N+](=O)[O-] ZINC000562692320 315879033 /nfs/dbraw/zinc/87/90/33/315879033.db2.gz YJDQQIVPKHBFPW-AWEZNQCLSA-N 0 3 335.795 3.061 20 5 EGBDHN CCCC[C@H](C)[C@@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569848289 316972971 /nfs/dbraw/zinc/97/29/71/316972971.db2.gz QLFOCGNKLVEXLE-UONOGXRCSA-N 0 3 342.461 3.173 20 5 EGBDHN CN(C)C1(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CCC1 ZINC000571336888 317184951 /nfs/dbraw/zinc/18/49/51/317184951.db2.gz PWIHSTBMXRGJTE-CYBMUJFWSA-N 0 3 331.338 3.272 20 5 EGBDHN Cc1c(CNC[C@H](O)Cc2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000571910320 317264855 /nfs/dbraw/zinc/26/48/55/317264855.db2.gz PZQKJJJESYSCNH-MRXNPFEDSA-N 0 3 334.803 3.250 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](NC2CCN(C3CC3)CC2)C(F)(F)F)cc1 ZINC000572413404 317335782 /nfs/dbraw/zinc/33/57/82/317335782.db2.gz CNWIXDZGLMWBPN-HNNXBMFYSA-N 0 3 343.349 3.415 20 5 EGBDHN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000382445632 324249840 /nfs/dbraw/zinc/24/98/40/324249840.db2.gz JEWYRMHNYHVWML-UKRRQHHQSA-N 0 3 349.431 3.378 20 5 EGBDHN C[C@@H](C(=O)Nc1ccccc1CN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000576535393 324634352 /nfs/dbraw/zinc/63/43/52/324634352.db2.gz YPJPYEMVDGDNRA-CYBMUJFWSA-N 0 3 327.384 3.399 20 5 EGBDHN CCc1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000173300244 455261810 /nfs/dbraw/zinc/26/18/10/455261810.db2.gz KZGBSBHAYVANSK-UHFFFAOYSA-N 0 3 327.384 3.471 20 5 EGBDHN CC(=O)c1ccc(NC[C@H](Cc2ccccc2)N(C)C)c([N+](=O)[O-])c1 ZINC000015128879 453558395 /nfs/dbraw/zinc/55/83/95/453558395.db2.gz NDDCVJGNHJKMKQ-KRWDZBQOSA-N 0 3 341.411 3.382 20 5 EGBDHN CN(C)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1cccc(F)c1 ZINC000029847972 453832076 /nfs/dbraw/zinc/83/20/76/453832076.db2.gz JBUDCSIENOILQT-GFCCVEGCSA-N 0 3 349.391 3.158 20 5 EGBDHN CCc1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000032735601 453887324 /nfs/dbraw/zinc/88/73/24/453887324.db2.gz LKMDLRODMUFVTA-SFHVURJKSA-N 0 3 341.411 3.190 20 5 EGBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H](CCO)c1ccccc1 ZINC000075897897 453937396 /nfs/dbraw/zinc/93/73/96/453937396.db2.gz RNPKDWWSLGXKLR-SFHVURJKSA-N 0 3 330.384 3.029 20 5 EGBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCCC1 ZINC000075958006 453942297 /nfs/dbraw/zinc/94/22/97/453942297.db2.gz RSFKERVZRTZWKB-MRXNPFEDSA-N 0 3 332.404 3.077 20 5 EGBDHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000041701524 453976302 /nfs/dbraw/zinc/97/63/02/453976302.db2.gz SWDWTRGQYFBZCC-AWEZNQCLSA-N 0 3 335.404 3.084 20 5 EGBDHN COc1cc(OC)cc(OCCCNCc2cccc([N+](=O)[O-])c2)c1 ZINC000084959684 454018032 /nfs/dbraw/zinc/01/80/32/454018032.db2.gz DNCFHSZNBQGPHH-UHFFFAOYSA-N 0 3 346.383 3.171 20 5 EGBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1CN1CCCCC1 ZINC000087275685 454074464 /nfs/dbraw/zinc/07/44/64/454074464.db2.gz RAPUVDGENGXTMA-GOSISDBHSA-N 0 3 345.443 3.004 20 5 EGBDHN CCN(CC)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000044314673 454096606 /nfs/dbraw/zinc/09/66/06/454096606.db2.gz YGYLOVKKEIASGM-HNNXBMFYSA-N 0 3 347.440 3.469 20 5 EGBDHN CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(Cl)c1 ZINC000159749832 455400442 /nfs/dbraw/zinc/40/04/42/455400442.db2.gz DAESFJRTRRNQPH-UHFFFAOYSA-N 0 3 349.818 3.321 20 5 EGBDHN O=c1ccc([N+](=O)[O-])cn1CCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000159759992 455401576 /nfs/dbraw/zinc/40/15/76/455401576.db2.gz HNIMYGATMXLCBC-UHFFFAOYSA-N 0 3 347.802 3.075 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN(Cc2cccs2)C2CC2)c1 ZINC000045008552 454132879 /nfs/dbraw/zinc/13/28/79/454132879.db2.gz JJLFZGRBCAAFLP-OAHLLOKOSA-N 0 3 348.424 3.061 20 5 EGBDHN CCc1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])N(C)C)cc1 ZINC000069691773 454133074 /nfs/dbraw/zinc/13/30/74/454133074.db2.gz ASHAMACHVBEVTP-SFHVURJKSA-N 0 3 341.411 3.190 20 5 EGBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cccc(OCCN(C)C)c1 ZINC000089512270 454157547 /nfs/dbraw/zinc/15/75/47/454157547.db2.gz RXCGXRGZKPQBEB-OAHLLOKOSA-N 0 3 343.427 3.386 20 5 EGBDHN C[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCCC[C@H]1C ZINC000058231469 454173273 /nfs/dbraw/zinc/17/32/73/454173273.db2.gz QUSGQHXIIDOIQX-CHWSQXEVSA-N 0 3 344.415 3.069 20 5 EGBDHN CCc1nn(C)c(NC[C@H](c2cccs2)N2CCCC2)c1[N+](=O)[O-] ZINC000094131903 454188457 /nfs/dbraw/zinc/18/84/57/454188457.db2.gz VCHZDHKGFQBXKD-CYBMUJFWSA-N 0 3 349.460 3.201 20 5 EGBDHN Cc1ccc(CN(CCN(C)C)C(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000072013536 454266080 /nfs/dbraw/zinc/26/60/80/454266080.db2.gz ZPTYHQIYYKVYKQ-UHFFFAOYSA-N 0 3 345.399 3.009 20 5 EGBDHN C[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)Cn1ccnc1 ZINC000072082437 454271191 /nfs/dbraw/zinc/27/11/91/454271191.db2.gz JEBJAVCIBAZHFS-AWEZNQCLSA-N 0 3 340.383 3.477 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000120325292 454287507 /nfs/dbraw/zinc/28/75/07/454287507.db2.gz GZQOGPKJCFWKES-CQSZACIVSA-N 0 3 334.420 3.017 20 5 EGBDHN Cc1c(NC(=O)CCN2C[C@H](C)S[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000072769756 454337989 /nfs/dbraw/zinc/33/79/89/454337989.db2.gz ZWDFJISDBFEXGW-RYUDHWBXSA-N 0 3 337.445 3.058 20 5 EGBDHN Cc1occc1CN(C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000063559693 454423962 /nfs/dbraw/zinc/42/39/62/454423962.db2.gz LBBBJGSDFKUPAV-UHFFFAOYSA-N 0 3 331.372 3.265 20 5 EGBDHN COc1ccc(NC(=O)CN(C2CC2)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000048008789 454432281 /nfs/dbraw/zinc/43/22/81/454432281.db2.gz JLQBDRDHVHAGSM-UHFFFAOYSA-N 0 3 347.415 3.339 20 5 EGBDHN CC(C)(C)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000063725079 454441236 /nfs/dbraw/zinc/44/12/36/454441236.db2.gz DFVOVCJWDBDWDN-UHFFFAOYSA-N 0 3 339.823 3.195 20 5 EGBDHN CC(C)N(CCC(=O)NC1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350613 454475208 /nfs/dbraw/zinc/47/52/08/454475208.db2.gz SIZPMCLYLJHDRY-UHFFFAOYSA-N 0 3 333.432 3.254 20 5 EGBDHN Cc1ccc(CN2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1[N+](=O)[O-] ZINC000092066434 454511844 /nfs/dbraw/zinc/51/18/44/454511844.db2.gz QSHAKTOSSYRQOZ-SJLPKXTDSA-N 0 3 329.444 3.352 20 5 EGBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H](Nc2ccccc2)C1 ZINC000102846126 454523570 /nfs/dbraw/zinc/52/35/70/454523570.db2.gz NREUBUFQIDTABM-INIZCTEOSA-N 0 3 327.384 3.160 20 5 EGBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000080230844 454552787 /nfs/dbraw/zinc/55/27/87/454552787.db2.gz WNAAKHMDPUUQCH-GDBMZVCRSA-N 0 3 326.400 3.455 20 5 EGBDHN CCCNC(=O)[C@@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000092734128 454618849 /nfs/dbraw/zinc/61/88/49/454618849.db2.gz CXKAPYIPOUIWSR-MRXNPFEDSA-N 0 3 347.459 3.456 20 5 EGBDHN CCCCCNC(=O)C1CCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051802950 454638344 /nfs/dbraw/zinc/63/83/44/454638344.db2.gz ZGNJJCRLPHPQGA-UHFFFAOYSA-N 0 3 347.459 3.422 20 5 EGBDHN O=[N+]([O-])c1ccccc1CNCCc1nc(-c2ccccn2)cs1 ZINC000123951063 454689788 /nfs/dbraw/zinc/68/97/88/454689788.db2.gz KEWSLICWVVUORM-UHFFFAOYSA-N 0 3 340.408 3.446 20 5 EGBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000177360675 454855918 /nfs/dbraw/zinc/85/59/18/454855918.db2.gz ORLHEDYQDJRMRM-UHFFFAOYSA-N 0 3 331.347 3.356 20 5 EGBDHN C[C@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000125958283 454859853 /nfs/dbraw/zinc/85/98/53/454859853.db2.gz ZGYGOLSIALWHPH-BBRMVZONSA-N 0 3 331.416 3.037 20 5 EGBDHN C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000150876377 454906653 /nfs/dbraw/zinc/90/66/53/454906653.db2.gz AGSZKKNLBYYFOJ-DOTOQJQBSA-N 0 3 340.427 3.479 20 5 EGBDHN CC[C@@H](NCCC(=O)Nc1ccc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000167217930 454919608 /nfs/dbraw/zinc/91/96/08/454919608.db2.gz AZUXWAYPZUCKPG-MRXNPFEDSA-N 0 3 342.399 3.368 20 5 EGBDHN CCN1CCC[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113313839 454921755 /nfs/dbraw/zinc/92/17/55/454921755.db2.gz UNZGPVBVDRMYQS-INIZCTEOSA-N 0 3 346.456 3.292 20 5 EGBDHN Cc1ccc([C@@H](C)N[C@H]2CCN(C(=O)C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000126888011 454924715 /nfs/dbraw/zinc/92/47/15/454924715.db2.gz XSFIARNNLPDCST-PBHICJAKSA-N 0 3 345.443 3.345 20 5 EGBDHN CCc1ccc(OC[C@H](O)CN(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000155305528 454985568 /nfs/dbraw/zinc/98/55/68/454985568.db2.gz RCHMPEBYFSRYBS-QGZVFWFLSA-N 0 3 344.411 3.029 20 5 EGBDHN Cc1ccc([C@H](C)NCCC(=O)NC2CCCCC2)cc1[N+](=O)[O-] ZINC000128686961 455077451 /nfs/dbraw/zinc/07/74/51/455077451.db2.gz RLKSPZCOIPGYML-AWEZNQCLSA-N 0 3 333.432 3.393 20 5 EGBDHN Cc1ccc([C@H](CNCc2cccc([N+](=O)[O-])c2)N2CCCC2)o1 ZINC000237633827 455200947 /nfs/dbraw/zinc/20/09/47/455200947.db2.gz GWPCOMXHRMJZPR-KRWDZBQOSA-N 0 3 329.400 3.423 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@](C)(O)c1cccs1 ZINC000265757757 455375519 /nfs/dbraw/zinc/37/55/19/455375519.db2.gz JGHGNCQTZDLKTO-INIZCTEOSA-N 0 3 336.413 3.052 20 5 EGBDHN COc1cc(CN[C@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])cc1F ZINC000184408821 455377496 /nfs/dbraw/zinc/37/74/96/455377496.db2.gz XSISGYNQXSQQPO-BXUZGUMPSA-N 0 3 346.358 3.397 20 5 EGBDHN Cc1ccc(CN2CCC[C@H](Cc3nccn3C)C2)cc1[N+](=O)[O-] ZINC000182091348 455433850 /nfs/dbraw/zinc/43/38/50/455433850.db2.gz PYUMJTHMVLPJJH-OAHLLOKOSA-N 0 3 328.416 3.091 20 5 EGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCCN1CC ZINC000184779097 455446554 /nfs/dbraw/zinc/44/65/54/455446554.db2.gz QHPRBMFDKDGHSG-WMZOPIPTSA-N 0 3 347.459 3.154 20 5 EGBDHN CCC[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000182178016 455453346 /nfs/dbraw/zinc/45/33/46/455453346.db2.gz KRXORWYVDMDTML-DLBZAZTESA-N 0 3 344.411 3.466 20 5 EGBDHN COCc1cc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)ccc1F ZINC000283874085 455606394 /nfs/dbraw/zinc/60/63/94/455606394.db2.gz BYZKZBZSXMMXOT-LLVKDONJSA-N 0 3 333.363 3.313 20 5 EGBDHN COc1ccc([C@H](OC)[C@H](C)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000271452729 455642064 /nfs/dbraw/zinc/64/20/64/455642064.db2.gz FANKGVUFFMVRNN-SCLBCKFNSA-N 0 3 330.384 3.469 20 5 EGBDHN CCc1ccc(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000292412632 455654958 /nfs/dbraw/zinc/65/49/58/455654958.db2.gz PFZPWSKDKLVMCV-CQSZACIVSA-N 0 3 345.443 3.104 20 5 EGBDHN CCOc1ccc([C@H](C)N[C@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000271556213 455683293 /nfs/dbraw/zinc/68/32/93/455683293.db2.gz VUAJROXARBKVJK-FZMZJTMJSA-N 0 3 330.388 3.445 20 5 EGBDHN COCCc1nc(C)c([C@@H](C)NCCc2ccccc2[N+](=O)[O-])s1 ZINC000271559171 455684775 /nfs/dbraw/zinc/68/47/75/455684775.db2.gz NYIYNHINJSREPY-GFCCVEGCSA-N 0 3 349.456 3.442 20 5 EGBDHN Cc1nc(N2CCCN(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000268486220 455696185 /nfs/dbraw/zinc/69/61/85/455696185.db2.gz MPFFXAKGPSLACT-UHFFFAOYSA-N 0 3 326.400 3.011 20 5 EGBDHN CN(C)C(=O)C1(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000192861336 455708210 /nfs/dbraw/zinc/70/82/10/455708210.db2.gz LXLAUKJOHISUKI-QGZVFWFLSA-N 0 3 345.443 3.210 20 5 EGBDHN Cc1nc2ccccc2n1CCN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285126333 455792607 /nfs/dbraw/zinc/79/26/07/455792607.db2.gz LHIGNAJWRVOQLM-GFCCVEGCSA-N 0 3 339.399 3.186 20 5 EGBDHN CN(CCC(=O)Nc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000285343952 455828171 /nfs/dbraw/zinc/82/81/71/455828171.db2.gz PABUPMNWEOHMBF-UHFFFAOYSA-N 0 3 327.384 3.098 20 5 EGBDHN O=[N+]([O-])c1ccc(NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC000269361533 455843166 /nfs/dbraw/zinc/84/31/66/455843166.db2.gz PNJALEMCEDFRQM-UHFFFAOYSA-N 0 3 341.411 3.164 20 5 EGBDHN CCC[C@@]1(NCc2ccc(Br)c([N+](=O)[O-])c2)CCOC1 ZINC000285585074 455876107 /nfs/dbraw/zinc/87/61/07/455876107.db2.gz OPMTYGXVJXGHQK-CQSZACIVSA-N 0 3 343.221 3.406 20 5 EGBDHN C[C@@H]1C[C@H](N2CCCC2)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000285721298 455904014 /nfs/dbraw/zinc/90/40/14/455904014.db2.gz ILKAGOCZUXMENH-DOMZBBRYSA-N 0 3 343.383 3.040 20 5 EGBDHN Cc1c(CN2CCNC[C@@H]2c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000261761855 455943499 /nfs/dbraw/zinc/94/34/99/455943499.db2.gz OAZHATTUVCSSMX-GOSISDBHSA-N 0 3 329.375 3.189 20 5 EGBDHN CCC(=O)c1ccc(NC[C@@]2(N(C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000280644603 456021651 /nfs/dbraw/zinc/02/16/51/456021651.db2.gz DQYQUKFLWQPFOA-INIZCTEOSA-N 0 3 337.445 3.037 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000301628509 456167696 /nfs/dbraw/zinc/16/76/96/456167696.db2.gz RQITWUVXGCEORO-ZBFHGGJFSA-N 0 3 326.400 3.373 20 5 EGBDHN CC(C)(NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000263658442 456184314 /nfs/dbraw/zinc/18/43/14/456184314.db2.gz DDHQTPBEVBOPCU-UHFFFAOYSA-N 0 3 339.395 3.009 20 5 EGBDHN CCC(C)(C)N[C@@H](C)C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000273161608 456196449 /nfs/dbraw/zinc/19/64/49/456196449.db2.gz BPHYZZKIDPCMRA-NSHDSACASA-N 0 3 345.403 3.090 20 5 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3.388 20 5 EGBDHN O=[N+]([O-])c1ccc(CNCCN2Cc3ccccc3C2)cc1Cl ZINC000783596953 1305113565 /nfs/dbraw/zinc/11/35/65/1305113565.db2.gz ZVHNXFKWTMUTTI-UHFFFAOYSA-N 0 3 331.803 3.354 20 5 EGBDHN CC(C)c1ccc(C(=O)NC[C@H](C)N2CCCCC2)cc1[N+](=O)[O-] ZINC000784357007 1305233562 /nfs/dbraw/zinc/23/35/62/1305233562.db2.gz YDFNGUORWLTBCQ-AWEZNQCLSA-N 0 3 333.432 3.322 20 5 EGBDHN CC(COC(=O)[C@H](C)c1cccc(C(=O)c2ccccc2)c1)[N+](=O)[O-] ZINC000813111471 1318500948 /nfs/dbraw/zinc/50/09/48/1318500948.db2.gz HZILEFDYLHOCRI-ZIAGYGMSSA-N 0 3 341.363 3.230 20 5 EGBDHN CC(COC(=O)c1cc(F)c(F)cc1C(=O)c1ccccc1)[N+](=O)[O-] ZINC000813113694 1318501612 /nfs/dbraw/zinc/50/16/12/1318501612.db2.gz HWQRGAQVTQTLJX-SNVBAGLBSA-N 0 3 349.289 3.018 20 5 EGBDHN CC(=O)N(C)c1ccc(CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000858496759 1328779801 /nfs/dbraw/zinc/77/98/01/1328779801.db2.gz BYNXDDRLCFYWQP-GFCCVEGCSA-N 0 3 342.399 3.011 20 5 EGBDHN Cc1ccc(C(=O)N[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)s1 ZINC001021783791 1318680853 /nfs/dbraw/zinc/68/08/53/1318680853.db2.gz YPWJKWVOWSARPI-OKILXGFUSA-N 0 3 345.424 3.015 20 5 EGBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1=CCCCCC1 ZINC001022006780 1318767170 /nfs/dbraw/zinc/76/71/70/1318767170.db2.gz MTTSFIDIJCHIBU-CALCHBBNSA-N 0 3 343.427 3.222 20 5 EGBDHN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](O)Cc1ccccc1 ZINC000816624726 1319197231 /nfs/dbraw/zinc/19/72/31/1319197231.db2.gz FVHOMVDXFPEELI-HNNXBMFYSA-N 0 3 334.803 3.284 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CCCOc3cc(F)ccc32)c1 ZINC000819210777 1319669107 /nfs/dbraw/zinc/66/91/07/1319669107.db2.gz KSVVGPVZWWSMGO-IRXDYDNUSA-N 0 3 346.358 3.271 20 5 EGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNC[C@H](CO)CC1CC1 ZINC000827359095 1320448013 /nfs/dbraw/zinc/44/80/13/1320448013.db2.gz ILVDMUZVBZNUAC-SNVBAGLBSA-N 0 3 333.215 3.400 20 5 EGBDHN C[C@H](CCCc1cccnc1)NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839143604 1320879483 /nfs/dbraw/zinc/87/94/83/1320879483.db2.gz QYKKCKLYXQTFCM-CYBMUJFWSA-N 0 3 344.371 3.399 20 5 EGBDHN CC(C)(C)N1CC[C@@H]1COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000845737645 1321739003 /nfs/dbraw/zinc/73/90/03/1321739003.db2.gz IEOPTOYZIZYJBL-GFCCVEGCSA-N 0 3 331.372 3.106 20 5 EGBDHN CC([C@@H](OC(=O)COCc1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845872721 1321747015 /nfs/dbraw/zinc/74/70/15/1321747015.db2.gz MVTNALXWFCBBFO-FZKQIMNGSA-N 0 3 347.342 3.292 20 5 EGBDHN Cc1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1C ZINC000845872373 1321747295 /nfs/dbraw/zinc/74/72/95/1321747295.db2.gz HRKQAZIMNHOGKS-BLLLJJGKSA-N 0 3 334.347 3.344 20 5 EGBDHN CCc1ncsc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845877530 1321749262 /nfs/dbraw/zinc/74/92/62/1321749262.db2.gz QFFVUTZLFSFLIG-ZANVPECISA-N 0 3 338.360 3.408 20 5 EGBDHN CCc1ncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845877491 1321749601 /nfs/dbraw/zinc/74/96/01/1321749601.db2.gz SEMOPICZHDYKGD-YMTOWFKASA-N 0 3 338.360 3.408 20 5 EGBDHN CC([C@@H](OC(=O)c1ncoc1C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845883494 1321750258 /nfs/dbraw/zinc/75/02/58/1321750258.db2.gz UBOVEHGMLKYFTD-LKFCYVNXSA-N 0 3 334.303 3.254 20 5 EGBDHN Cc1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])nn1C(C)C ZINC000845883806 1321751279 /nfs/dbraw/zinc/75/12/79/1321751279.db2.gz WCRGGSPYQSCEEK-WBMJQRKESA-N 0 3 349.362 3.475 20 5 EGBDHN C[C@H](COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000847963794 1321917425 /nfs/dbraw/zinc/91/74/25/1321917425.db2.gz SVCPFYXFYIRWAJ-OLZOCXBDSA-N 0 3 338.379 3.255 20 5 EGBDHN CC([C@H](OC(=O)[C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000860855015 1329363508 /nfs/dbraw/zinc/36/35/08/1329363508.db2.gz PAGAUYZEHIJITP-XIGYHFDISA-N 0 3 339.363 3.135 20 5 EGBDHN Cc1c(NC(=O)CCN(Cc2ccoc2)C2CC2)cccc1[N+](=O)[O-] ZINC000934004866 1329939725 /nfs/dbraw/zinc/93/97/25/1329939725.db2.gz SELWEQWNWVEBPZ-UHFFFAOYSA-N 0 3 343.383 3.489 20 5 EGBDHN Cc1cnc2ccccc2c1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001323870225 1387483746 /nfs/dbraw/zinc/48/37/46/1387483746.db2.gz DQOHEMPHWNEBSG-UHFFFAOYSA-N 0 3 349.394 3.173 20 5 EGBDHN C[NH+](C)[C@@H]1CCOc2c(Nc3cc([O-])cc([N+](=O)[O-])c3)cccc21 ZINC001201229239 1369500011 /nfs/dbraw/zinc/50/00/11/1369500011.db2.gz ISKBZZDIYZKDCL-MRXNPFEDSA-N 0 3 329.356 3.429 20 5 EGBDHN C[C@H](CC(=O)OC(C)(C)C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001116584405 1370941273 /nfs/dbraw/zinc/94/12/73/1370941273.db2.gz KVDCHDVEOPHUCT-SNVBAGLBSA-N 0 3 328.796 3.458 20 5 EGBDHN C[C@@H]1CN[C@@H](C)[C@H](C)N1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC001122263419 1372216362 /nfs/dbraw/zinc/21/63/62/1372216362.db2.gz JHMVDEYGTWFZIZ-VWYCJHECSA-N 0 3 333.413 3.020 20 5 EGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Oc1ncccc1[N+](=O)[O-] ZINC001225595960 1375129500 /nfs/dbraw/zinc/12/95/00/1375129500.db2.gz NQFGBCFJBRGWCH-YOEHRIQHSA-N 0 3 327.384 3.279 20 5 EGBDHN O=[N+]([O-])c1ncccc1O[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC001225630054 1375135139 /nfs/dbraw/zinc/13/51/39/1375135139.db2.gz VICHPLNKSAEJTQ-VQFNDLOPSA-N 0 3 339.395 3.279 20 5 EGBDHN CC1(C)CN(Cc2ccccc2)CC[C@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228654932 1375628666 /nfs/dbraw/zinc/62/86/66/1375628666.db2.gz NYVOVUZLHHUHQZ-MRXNPFEDSA-N 0 3 342.399 3.064 20 5 EGBDHN Cc1cc2nc(OC3CC[NH+](C(C)(C)C)CC3)[n-]c2cc1[N+](=O)[O-] ZINC001228676249 1375637156 /nfs/dbraw/zinc/63/71/56/1375637156.db2.gz XJMKMIWVIJPDSS-UHFFFAOYSA-N 0 3 332.404 3.421 20 5 EGBDHN Cc1cc2[n-]c(OC3CC[NH+](C(C)(C)C)CC3)nc2cc1[N+](=O)[O-] ZINC001228676249 1375637166 /nfs/dbraw/zinc/63/71/66/1375637166.db2.gz XJMKMIWVIJPDSS-UHFFFAOYSA-N 0 3 332.404 3.421 20 5 EGBDHN CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@@H]1[C@@H]2CCC[C@H]1CN(C)C2 ZINC001229179616 1375782664 /nfs/dbraw/zinc/78/26/64/1375782664.db2.gz NRJAMFFLFKJGHL-IVWMJMPLSA-N 0 3 332.400 3.297 20 5 EGBDHN O=[N+]([O-])c1ccc2oc(O[C@H]3CCN(Cc4ccccc4)C3)nc2c1 ZINC001229484856 1375844132 /nfs/dbraw/zinc/84/41/32/1375844132.db2.gz SOXPSYNBHQEYOG-HNNXBMFYSA-N 0 3 339.351 3.389 20 5 EGBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)F)cc1 ZINC001135384542 1377066806 /nfs/dbraw/zinc/06/68/06/1377066806.db2.gz GCAGYJMCXBTOHZ-UHFFFAOYSA-N 0 3 349.337 3.052 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@@H](C)N)nc1Cl ZINC001155247315 1380428854 /nfs/dbraw/zinc/42/88/54/1380428854.db2.gz GRSUFYMZBWBYAV-SECBINFHSA-N 0 3 331.763 3.310 20 5 EGBDHN O=[N+]([O-])c1ccc2ccc(N[C@H]3CNCc4ccsc43)nc2c1 ZINC001155561699 1380468992 /nfs/dbraw/zinc/46/89/92/1380468992.db2.gz OEFQSCDNCDGBHB-AWEZNQCLSA-N 0 3 326.381 3.461 20 5 EGBDHN O=[N+]([O-])c1cc([O-])cc(Nc2ccccc2O[C@@H]2CCC[NH2+]C2)c1 ZINC001160232460 1382042312 /nfs/dbraw/zinc/04/23/12/1382042312.db2.gz CBBXUQWRLFXXBG-OAHLLOKOSA-N 0 3 329.356 3.175 20 5 EGBDHN Cc1c(N[C@H]2CNCc3ccsc32)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163230317 1383001366 /nfs/dbraw/zinc/00/13/66/1383001366.db2.gz VDRQGTBRUKNZJZ-NSHDSACASA-N 0 3 334.357 3.129 20 5 EGBDHN COc1ccc(CCCNc2cc3c(cc2[N+](=O)[O-])CNC3)cc1 ZINC001164192351 1383164977 /nfs/dbraw/zinc/16/49/77/1383164977.db2.gz PSOURENINWKSAV-UHFFFAOYSA-N 0 3 327.384 3.251 20 5 EGBDHN CC1(C)CC(CC(=O)NCCCNCc2ccccc2[N+](=O)[O-])C1 ZINC001164483173 1383191519 /nfs/dbraw/zinc/19/15/19/1383191519.db2.gz FAUMZPCXGWNVQS-UHFFFAOYSA-N 0 3 333.432 3.017 20 5 EGBDHN COc1ccc([N+](=O)[O-])nc1NC[C@@H](c1ccccc1)N1CCCC1 ZINC001166899563 1383496242 /nfs/dbraw/zinc/49/62/42/1383496242.db2.gz BYEDSPPMJDLSPG-HNNXBMFYSA-N 0 3 342.399 3.247 20 5 EGBDHN CCC1(C(=O)NCCC2(CNCc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC001167057930 1383529947 /nfs/dbraw/zinc/52/99/47/1383529947.db2.gz VEQQNPJWAQOHQS-UHFFFAOYSA-N 0 3 345.443 3.161 20 5 EGBDHN O=C(CN[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001168988894 1384080313 /nfs/dbraw/zinc/08/03/13/1384080313.db2.gz UVAIQKDVSCDPEB-GXSJLCMTSA-N 0 3 348.296 3.062 20 5 EGBDHN O=[N+]([O-])C[C@@H]1CC[C@H](n2c3ccccc3nc2[C@H]2CCCCN2)C1 ZINC001169036152 1384096061 /nfs/dbraw/zinc/09/60/61/1384096061.db2.gz FMTMIDTVQQOVOA-IJEWVQPXSA-N 0 3 328.416 3.469 20 5 EGBDHN Cc1ccc(F)c(CN[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172912275 1384876417 /nfs/dbraw/zinc/87/64/17/1384876417.db2.gz MXTTVVJLDWXUDI-HNNXBMFYSA-N 0 3 329.375 3.475 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@H](F)CC2)c1F ZINC001173178289 1384931467 /nfs/dbraw/zinc/93/14/67/1384931467.db2.gz AEDMUMSEFHKARF-RYUDHWBXSA-N 0 3 328.359 3.498 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H](C)c2ccccn2)c1F ZINC001173176649 1384932002 /nfs/dbraw/zinc/93/20/02/1384932002.db2.gz LEPPERHNENZPHR-VXGBXAGGSA-N 0 3 333.363 3.419 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@H]2CCc3cccnc32)c1F ZINC001173183585 1384932663 /nfs/dbraw/zinc/93/26/63/1384932663.db2.gz CCEVUTIBVOTONQ-RISCZKNCSA-N 0 3 345.374 3.346 20 5 EGBDHN COc1ccc(C(=O)CN[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173213931 1384937045 /nfs/dbraw/zinc/93/70/45/1384937045.db2.gz JJAVJFIMVVLEPH-CYBMUJFWSA-N 0 3 328.368 3.007 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1nc(-c2ccncc2)cc1CN ZINC001173217922 1384937770 /nfs/dbraw/zinc/93/77/70/1384937770.db2.gz HKEKUPYNPRDNBB-CYBMUJFWSA-N 0 3 337.383 3.116 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001173228434 1384940802 /nfs/dbraw/zinc/94/08/02/1384940802.db2.gz WTCONGSOWIAWEE-MAUKXSAKSA-N 0 3 345.443 3.003 20 5 EGBDHN COCCN1CCC(Nc2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC001336658860 1389130023 /nfs/dbraw/zinc/13/00/23/1389130023.db2.gz LRJGVGSJIZEFBH-UHFFFAOYSA-N 0 3 347.337 3.136 20 5 EGBDHN Cc1nc(N[C@@H](CN2CCCCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC001330588958 1389463154 /nfs/dbraw/zinc/46/31/54/1389463154.db2.gz CSKADZMLBFPFRH-INIZCTEOSA-N 0 3 341.415 3.332 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CN[C@H](CO)C2CC2)o1 ZINC001339108651 1389904241 /nfs/dbraw/zinc/90/42/41/1389904241.db2.gz BRNYAHFHYFGTQA-CQSZACIVSA-N 0 3 336.775 3.369 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]C[C@@H](C)Cc2cccs2)c1[N+](=O)[O-] ZINC001333683541 1390373976 /nfs/dbraw/zinc/37/39/76/1390373976.db2.gz FAZJMYHSGLIOAP-NSHDSACASA-N 0 3 336.413 3.339 20 5 EGBDHN CCS[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001334972322 1390627410 /nfs/dbraw/zinc/62/74/10/1390627410.db2.gz HFJATIDXAMZITK-OCCSQVGLSA-N 0 3 340.445 3.463 20 5 EGBDHN Cc1cc(CCC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])no1 ZINC001344013934 1390750085 /nfs/dbraw/zinc/75/00/85/1390750085.db2.gz UYYIBJQBJJOWGJ-ZBEGNZNMSA-N 0 3 336.319 3.004 20 5 EGBDHN CN(C(=O)CN1CCC[C@H]1C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000055927573 214348756 /nfs/dbraw/zinc/34/87/56/214348756.db2.gz JSRVDERZNBAYKN-KRWDZBQOSA-N 0 3 331.416 3.212 20 5 EGBDHN CCCN(CCN1CCCCC1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000342794202 283248813 /nfs/dbraw/zinc/24/88/13/283248813.db2.gz KJXIQJGHJVICIC-UHFFFAOYSA-N 0 3 333.432 3.241 20 5 EGBDHN COc1ccc([C@H](CO)N(C)C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000093415351 218224018 /nfs/dbraw/zinc/22/40/18/218224018.db2.gz PYTMPHBYENJIJX-XZXOBPBMSA-N 0 3 342.395 3.282 20 5 EGBDHN CCN(CC)[C@H](CNc1c([N+](=O)[O-])c(C)nn1CC)c1ccco1 ZINC000192539416 284825759 /nfs/dbraw/zinc/82/57/59/284825759.db2.gz SWSOMUNWSOUWRQ-CYBMUJFWSA-N 0 3 335.408 3.208 20 5 EGBDHN O=[N+]([O-])c1cc(Br)ccc1N1CC[C@@H](N2CCCC2)C1 ZINC000061858086 285083167 /nfs/dbraw/zinc/08/31/67/285083167.db2.gz BYEBGLIMABBJDZ-GFCCVEGCSA-N 0 3 340.221 3.032 20 5 EGBDHN CC[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000341205705 141138669 /nfs/dbraw/zinc/13/86/69/141138669.db2.gz HIYZOJMFZGCQEL-KRWDZBQOSA-N 0 3 339.395 3.225 20 5 EGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H](N2CCCC2)C1 ZINC000171446475 144003534 /nfs/dbraw/zinc/00/35/34/144003534.db2.gz UKWJMKMVBGBJPE-CQSZACIVSA-N 0 3 345.424 3.120 20 5 EGBDHN CC(C)[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000171449596 144003837 /nfs/dbraw/zinc/00/38/37/144003837.db2.gz IQRBUZGMPZPQDK-YOEHRIQHSA-N 0 3 333.432 3.283 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCN3CCC3)o2)c(Cl)c1 ZINC000344842880 144230019 /nfs/dbraw/zinc/23/00/19/144230019.db2.gz WIVJJINAXYJHDV-UHFFFAOYSA-N 0 3 335.791 3.304 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN2CCC[C@H](c3ccc(F)cc3)CC2)c1 ZINC000351200290 144259206 /nfs/dbraw/zinc/25/92/06/144259206.db2.gz JIJYPXGXHSZYRG-AWEZNQCLSA-N 0 3 332.379 3.200 20 5 EGBDHN COC(=O)[C@H](C)CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120593563 152287280 /nfs/dbraw/zinc/28/72/80/152287280.db2.gz VJKFYOVXFMCKJV-GFCCVEGCSA-N 0 3 332.356 3.096 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000192771631 153258041 /nfs/dbraw/zinc/25/80/41/153258041.db2.gz GEGJMOWCFNIPRE-XJKSGUPXSA-N 0 3 343.431 3.052 20 5 EGBDHN CC1(C)CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000303891747 154059339 /nfs/dbraw/zinc/05/93/39/154059339.db2.gz KJSJGCNXORBDSR-INIZCTEOSA-N 0 3 331.416 3.212 20 5 EGBDHN C[C@H]1[C@H](NCc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000310321919 154143252 /nfs/dbraw/zinc/14/32/52/154143252.db2.gz VFPANPQNDCAHDT-HNAYVOBHSA-N 0 3 325.412 3.347 20 5 EGBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000336866608 154220836 /nfs/dbraw/zinc/22/08/36/154220836.db2.gz JADHLTNPICAKHP-UHFFFAOYSA-N 0 3 339.823 3.195 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCCC[C@H]1OC(F)F ZINC000337397008 154331480 /nfs/dbraw/zinc/33/14/80/154331480.db2.gz JCJXENKWXKPNMO-CHWSQXEVSA-N 0 3 330.331 3.243 20 5 EGBDHN O=[N+]([O-])c1ccc(OC[C@H]2CN(Cc3ccccc3)CCCO2)cc1 ZINC000340050116 155083183 /nfs/dbraw/zinc/08/31/83/155083183.db2.gz REIYNWAXDCTXOE-LJQANCHMSA-N 0 3 342.395 3.265 20 5 EGBDHN Cc1ccc(CN(CCN(C)C)Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC000349038487 156327234 /nfs/dbraw/zinc/32/72/34/156327234.db2.gz VIENUILPZNGDNS-UHFFFAOYSA-N 0 3 335.379 3.199 20 5 EGBDHN CCOc1cc(N(CCN(C)C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000092682110 161977874 /nfs/dbraw/zinc/97/78/74/161977874.db2.gz OFIIEGVJYQKRCW-UHFFFAOYSA-N 0 3 333.388 3.155 20 5 EGBDHN Cc1ccc(CN(CCO)[C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000093387677 162009031 /nfs/dbraw/zinc/00/90/31/162009031.db2.gz GDCXFLOKEBVTJV-SFHVURJKSA-N 0 3 326.396 3.385 20 5 EGBDHN CCN(CCC(=O)OC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000130491705 162370686 /nfs/dbraw/zinc/37/06/86/162370686.db2.gz QUMGRYKJHLHFCT-UHFFFAOYSA-N 0 3 332.356 3.240 20 5 EGBDHN CS[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1N(C)C ZINC000340198323 163504460 /nfs/dbraw/zinc/50/44/60/163504460.db2.gz AUPUMOFXBASEFF-QWHCGFSZSA-N 0 3 349.378 3.095 20 5 EGBDHN CN(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000351656036 165118281 /nfs/dbraw/zinc/11/82/81/165118281.db2.gz QBRRLNSVVDLKOF-MRXNPFEDSA-N 0 3 346.362 3.158 20 5 EGBDHN CCN(CCC1CC1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000355039770 166090507 /nfs/dbraw/zinc/09/05/07/166090507.db2.gz OGSIQEISTQPHCM-GFCCVEGCSA-N 0 3 335.404 3.052 20 5 EGBDHN CC[C@H]1CN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C[C@H]1O ZINC000355194240 166128683 /nfs/dbraw/zinc/12/86/83/166128683.db2.gz GKCIJXKHUNOPTL-YVEFUNNKSA-N 0 3 346.383 3.066 20 5 EGBDHN COc1ccc([C@H](OC)[C@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000357350544 166655514 /nfs/dbraw/zinc/65/55/14/166655514.db2.gz JRASOBSAXRXXEF-SCLBCKFNSA-N 0 3 330.384 3.469 20 5 EGBDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000359538176 167184227 /nfs/dbraw/zinc/18/42/27/167184227.db2.gz HEPFYBYUEGKPMB-JSGCOSHPSA-N 0 3 331.372 3.047 20 5 EGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccco1 ZINC000359547725 167188501 /nfs/dbraw/zinc/18/85/01/167188501.db2.gz SLVWGKFWUHBCOB-ZYHUDNBSSA-N 0 3 337.401 3.109 20 5 EGBDHN CC[C@H](C)N[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1)c1ccco1 ZINC000359567013 167196187 /nfs/dbraw/zinc/19/61/87/167196187.db2.gz WGGRWWJJDMHFFG-BBRMVZONSA-N 0 3 345.399 3.355 20 5 EGBDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000122991591 222195850 /nfs/dbraw/zinc/19/58/50/222195850.db2.gz PSCJMOPFWJISPK-SNVBAGLBSA-N 0 3 331.235 3.295 20 5 EGBDHN CN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1csc2ccccc12 ZINC000179313978 265372626 /nfs/dbraw/zinc/37/26/26/265372626.db2.gz ZZELUOSVSOMXNP-UHFFFAOYSA-N 0 3 343.408 3.103 20 5 EGBDHN COc1cc(CN(C)C/C=C/c2ccccc2[N+](=O)[O-])ccc1O ZINC000179943514 265392410 /nfs/dbraw/zinc/39/24/10/265392410.db2.gz SEHFSBRZNZLVEM-FNORWQNLSA-N 0 3 328.368 3.454 20 5 EGBDHN CC(=O)c1ccc(N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000269450197 266297221 /nfs/dbraw/zinc/29/72/21/266297221.db2.gz VRLSAHNYLNQUGT-DOTOQJQBSA-N 0 3 343.427 3.251 20 5 EGBDHN Cc1cc(CN(C)C)cc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000270377819 266504174 /nfs/dbraw/zinc/50/41/74/266504174.db2.gz MIASWFPZFHRUGC-UHFFFAOYSA-N 0 3 327.384 3.146 20 5 EGBDHN CN(C)C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000275551746 267380004 /nfs/dbraw/zinc/38/00/04/267380004.db2.gz CIWBBMRCTAFAPK-UHFFFAOYSA-N 0 3 346.456 3.292 20 5 EGBDHN C[C@H]1C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000090795081 275153481 /nfs/dbraw/zinc/15/34/81/275153481.db2.gz KDRAIFBAPATJII-ONGXEEELSA-N 0 3 328.210 3.252 20 5 EGBDHN COC(=O)c1csc([C@H](C)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000286363168 275987709 /nfs/dbraw/zinc/98/77/09/275987709.db2.gz ZGPSYCOSDLPDIE-NSHDSACASA-N 0 3 334.397 3.336 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CCC(F)(F)CC1 ZINC000286715230 276035995 /nfs/dbraw/zinc/03/59/95/276035995.db2.gz FWLWTCOZCMNRQW-UHFFFAOYSA-N 0 3 341.358 3.351 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H](c3ccncc3)C2)c1 ZINC000289404987 276333893 /nfs/dbraw/zinc/33/38/93/276333893.db2.gz SLMUNEFXINTKRV-MRXNPFEDSA-N 0 3 327.384 3.248 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1cccs1)N1CCCC1 ZINC000195334631 276722424 /nfs/dbraw/zinc/72/24/24/276722424.db2.gz ONETWKLLABFQDS-CYBMUJFWSA-N 0 3 349.460 3.430 20 5 EGBDHN CN(C)CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000063853350 307356079 /nfs/dbraw/zinc/35/60/79/307356079.db2.gz IWUSFHKSTITFOH-UHFFFAOYSA-N 0 3 347.802 3.457 20 5 EGBDHN COc1ccc([C@@H](C)NCCOc2ccc([N+](=O)[O-])cc2)cc1F ZINC000089580985 307449930 /nfs/dbraw/zinc/44/99/30/307449930.db2.gz WAFOPPVFHGJRQM-GFCCVEGCSA-N 0 3 334.347 3.472 20 5 EGBDHN CO[C@@H]1COC[C@@H]1N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414175582 309064763 /nfs/dbraw/zinc/06/47/63/309064763.db2.gz CKYHSJQXIZGNNN-OSAQELSMSA-N 0 3 348.424 3.388 20 5 EGBDHN C[C@H](N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000414197408 309066482 /nfs/dbraw/zinc/06/64/82/309066482.db2.gz WKJSFLMLFFRQAI-ZQIUZPCESA-N 0 3 328.416 3.390 20 5 EGBDHN C[C@H](NCc1ccc2c(c1)OCCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293945597 308176455 /nfs/dbraw/zinc/17/64/55/308176455.db2.gz YZFRHOMEXMWYCP-LBPRGKRZSA-N 0 3 343.383 3.189 20 5 EGBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@H]2CCC[C@H]2CCO)c1 ZINC000294174367 308197034 /nfs/dbraw/zinc/19/70/34/308197034.db2.gz QCYCLAHDLMSQBY-HZMBPMFUSA-N 0 3 332.322 3.254 20 5 EGBDHN CC(C)c1ccc(C(=O)N2CC[C@]3(C2)CCCN(C)C3)cc1[N+](=O)[O-] ZINC000294180987 308198029 /nfs/dbraw/zinc/19/80/29/308198029.db2.gz PBLZDICBIUBJBT-LJQANCHMSA-N 0 3 345.443 3.276 20 5 EGBDHN Cc1cc(Cl)c(C(=O)NCCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000294746476 308252805 /nfs/dbraw/zinc/25/28/05/308252805.db2.gz CRRVEJDGVAMUFG-NSHDSACASA-N 0 3 339.823 3.018 20 5 EGBDHN C[C@@H](NCC1([C@@H](O)c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294922649 308271922 /nfs/dbraw/zinc/27/19/22/308271922.db2.gz XCGFSTLKVAHVSQ-ACJLOTCBSA-N 0 3 341.411 3.341 20 5 EGBDHN C[C@H]1[C@@H](CO)CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414589464 309090930 /nfs/dbraw/zinc/09/09/30/309090930.db2.gz WWNZZLLCXIDUTN-DZGCQCFKSA-N 0 3 330.384 3.448 20 5 EGBDHN CCc1ccccc1[C@H](N)CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414659032 309094213 /nfs/dbraw/zinc/09/42/13/309094213.db2.gz MIDJSFGKQGCDLE-MRXNPFEDSA-N 0 3 342.399 3.287 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1CN1CCNC[C@@H]1c1ccccc1 ZINC000313345432 308765108 /nfs/dbraw/zinc/76/51/08/308765108.db2.gz BMIKXZDZNZPUCC-QGZVFWFLSA-N 0 3 331.803 3.395 20 5 EGBDHN Cc1noc(C)c1C(C)(C)NCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411733583 308950821 /nfs/dbraw/zinc/95/08/21/308950821.db2.gz VYJWPAFKIOGFMT-UHFFFAOYSA-N 0 3 346.387 3.053 20 5 EGBDHN CCNC(=O)C1(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000417338080 309202296 /nfs/dbraw/zinc/20/22/96/309202296.db2.gz YAXAIHBHPDVRBP-KRWDZBQOSA-N 0 3 345.443 3.258 20 5 EGBDHN CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCN1C ZINC000421406917 309323441 /nfs/dbraw/zinc/32/34/41/309323441.db2.gz IEAAFQWHOOLNAD-MRXNPFEDSA-N 0 3 329.400 3.381 20 5 EGBDHN CC(C)C1(C)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000426783251 309516330 /nfs/dbraw/zinc/51/63/30/309516330.db2.gz KHBPXCBGJPYVEU-OAHLLOKOSA-N 0 3 336.432 3.093 20 5 EGBDHN O=[N+]([O-])c1cccc2c(N3CCN(C4CCCC4)CC3)ccnc21 ZINC000432312423 309656940 /nfs/dbraw/zinc/65/69/40/309656940.db2.gz JEDYKORIPPPARF-UHFFFAOYSA-N 0 3 326.400 3.208 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@H](CC(F)(F)F)C(C)C ZINC000445889039 309950925 /nfs/dbraw/zinc/95/09/25/309950925.db2.gz YXGPZGGWLQDIFZ-CYBMUJFWSA-N 0 3 347.337 3.408 20 5 EGBDHN CCO[C@@H]1C[C@H](N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@]12CCCO2 ZINC000447595392 309983701 /nfs/dbraw/zinc/98/37/01/309983701.db2.gz NGCXTNNFNABKDB-HCXYKTFWSA-N 0 3 346.427 3.288 20 5 EGBDHN COc1ccc(OC)c(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449071072 310034657 /nfs/dbraw/zinc/03/46/57/310034657.db2.gz NAJRBWLTGUDZCU-CYBMUJFWSA-N 0 3 330.384 3.333 20 5 EGBDHN CC(C)Oc1ccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449081879 310035492 /nfs/dbraw/zinc/03/54/92/310035492.db2.gz ITANOEHRSLHJOJ-AWEZNQCLSA-N 0 3 329.400 3.498 20 5 EGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@H](C)C(=O)Nc1ccccc1 ZINC000449149599 310040507 /nfs/dbraw/zinc/04/05/07/310040507.db2.gz XLDXYOHNIVKINL-ZIAGYGMSSA-N 0 3 327.384 3.143 20 5 EGBDHN CCc1ccc([C@H](CO)N[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000449217189 310045233 /nfs/dbraw/zinc/04/52/33/310045233.db2.gz XPCIJPONCGTCAU-KSSFIOAISA-N 0 3 328.412 3.411 20 5 EGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N(C)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000449312965 310052607 /nfs/dbraw/zinc/05/26/07/310052607.db2.gz SXYGRVFKXYHFCP-ZOCIIQOWSA-N 0 3 341.411 3.383 20 5 EGBDHN COc1ccc(-c2ccc(CNCCC3(CO)CC3)o2)c([N+](=O)[O-])c1 ZINC000449581081 310073555 /nfs/dbraw/zinc/07/35/55/310073555.db2.gz XADUZSHFGICDQP-UHFFFAOYSA-N 0 3 346.383 3.116 20 5 EGBDHN Cc1nc(NC2CCN([C@@H](C)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000450339022 310116426 /nfs/dbraw/zinc/11/64/26/310116426.db2.gz NIJYWUINGWRHAV-AWEZNQCLSA-N 0 3 341.415 3.331 20 5 EGBDHN Cc1ccccc1[C@H]([C@@H](C)Nc1ncc([N+](=O)[O-])c(C)n1)N(C)C ZINC000450537344 310128860 /nfs/dbraw/zinc/12/88/60/310128860.db2.gz XADGBPOHCRLMNX-CJNGLKHVSA-N 0 3 329.404 3.105 20 5 EGBDHN Cc1noc(CCCN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548804 310185217 /nfs/dbraw/zinc/18/52/17/310185217.db2.gz OLWUROYFZVKHCW-HNNXBMFYSA-N 0 3 330.388 3.098 20 5 EGBDHN C[C@H](NC(=O)c1ccccc1CN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000452577311 310233011 /nfs/dbraw/zinc/23/30/11/310233011.db2.gz XSKSETJLPGUOQY-ZDUSSCGKSA-N 0 3 327.384 3.147 20 5 EGBDHN CC(C)[C@@H]1N(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCCC2 ZINC000453039667 310253798 /nfs/dbraw/zinc/25/37/98/310253798.db2.gz OSDMJTKQGUPPHJ-QAPCUYQASA-N 0 3 348.443 3.235 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)Cc1cccc(F)c1)CCC2 ZINC000453226393 310265250 /nfs/dbraw/zinc/26/52/50/310265250.db2.gz XRLVZACTRGHVLZ-PKOBYXMFSA-N 0 3 344.386 3.305 20 5 EGBDHN C[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](C)C1 ZINC000454513799 310314063 /nfs/dbraw/zinc/31/40/63/310314063.db2.gz RGXSHEPNIGDOPA-ZNMIVQPWSA-N 0 3 348.447 3.075 20 5 EGBDHN C[C@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459792966 310575761 /nfs/dbraw/zinc/57/57/61/310575761.db2.gz VCPDUWYFIPRQHL-MMMKDXCPSA-N 0 3 328.372 3.484 20 5 EGBDHN C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)CC(F)(F)F ZINC000468053168 310681814 /nfs/dbraw/zinc/68/18/14/310681814.db2.gz WZTYZWSJPRQLEN-UWVGGRQHSA-N 0 3 333.310 3.242 20 5 EGBDHN COc1cccc(NC[C@H](Cc2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000475454640 310812660 /nfs/dbraw/zinc/81/26/60/310812660.db2.gz YYZZJQKUQRPJIS-HNNXBMFYSA-N 0 3 329.400 3.188 20 5 EGBDHN Cc1c(CN[C@H](C)CC(=O)N(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000478509006 310860119 /nfs/dbraw/zinc/86/01/19/310860119.db2.gz XRPYJFVOFQPGFD-CQSZACIVSA-N 0 3 341.411 3.434 20 5 EGBDHN CCN1C[C@@H](C)[C@@H](NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000487208192 311016177 /nfs/dbraw/zinc/01/61/77/311016177.db2.gz HCVBLOAVAVZZTD-YGRLFVJLSA-N 0 3 331.338 3.043 20 5 EGBDHN CCOc1ccc([C@H](C)NCCN2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000504893846 312012215 /nfs/dbraw/zinc/01/22/15/312012215.db2.gz INNFGFRQBRPACD-CABCVRRESA-N 0 3 335.448 3.376 20 5 EGBDHN CCOC(=O)C(C)(C)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000510905272 312150361 /nfs/dbraw/zinc/15/03/61/312150361.db2.gz OQBPSPYDWLQPSO-UHFFFAOYSA-N 0 3 348.443 3.439 20 5 EGBDHN C[C@H](C(=O)N1CCN(CCC(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000515265619 312273771 /nfs/dbraw/zinc/27/37/71/312273771.db2.gz KIIOKGLNHQTDOD-HNNXBMFYSA-N 0 3 347.459 3.279 20 5 EGBDHN CC[S@](=O)[C@@H]1CCC[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000516937261 312352479 /nfs/dbraw/zinc/35/24/79/312352479.db2.gz AQDRUMZTLYNKRV-KQDPCCAVSA-N 0 3 336.457 3.252 20 5 EGBDHN CC(C)(C)C1=CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000535375596 314043156 /nfs/dbraw/zinc/04/31/56/314043156.db2.gz PLPAHPFQTQNDTA-MRXNPFEDSA-N 0 3 334.416 3.013 20 5 EGBDHN C[C@@H](O)CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000536649127 314134137 /nfs/dbraw/zinc/13/41/37/314134137.db2.gz GAQVOVMPAVOBKV-MRDWYFFCSA-N 0 3 326.396 3.491 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000538761286 314274061 /nfs/dbraw/zinc/27/40/61/314274061.db2.gz VGAZJNQWSURRIT-SWLSCSKDSA-N 0 3 347.459 3.370 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000543237259 314615356 /nfs/dbraw/zinc/61/53/56/314615356.db2.gz WHEAJZXNFFTZBI-MSOLQXFVSA-N 0 3 334.416 3.429 20 5 EGBDHN CCC[C@@H](C)C(=O)NCCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000551222790 315145789 /nfs/dbraw/zinc/14/57/89/315145789.db2.gz MGORTFXTWMQGQX-DYVFJYSZSA-N 0 3 347.459 3.459 20 5 EGBDHN CN(CCc1cccc([N+](=O)[O-])c1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000553906171 315287847 /nfs/dbraw/zinc/28/78/47/315287847.db2.gz DPZKGMBVMGXJMH-GOSISDBHSA-N 0 3 348.830 3.326 20 5 EGBDHN CC[C@H]1CCCCN1CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000555312036 315378335 /nfs/dbraw/zinc/37/83/35/315378335.db2.gz ASXDPANLGHRNJM-ZBFHGGJFSA-N 0 3 333.432 3.079 20 5 EGBDHN C[C@@H](Nc1ccc([N+](=O)[O-])c(N)c1F)[C@H](c1ccccc1)N(C)C ZINC000558607874 315582719 /nfs/dbraw/zinc/58/27/19/315582719.db2.gz BYWVXDHOSGIIQD-PIGZYNQJSA-N 0 3 332.379 3.419 20 5 EGBDHN Cc1ccccc1C[C@@H](CO)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000570744654 317101066 /nfs/dbraw/zinc/10/10/66/317101066.db2.gz NTDIFHUYFBUITE-WBVHZDCISA-N 0 3 328.412 3.466 20 5 EGBDHN Cc1cc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1[N+](=O)[O-] ZINC000193532779 323838538 /nfs/dbraw/zinc/83/85/38/323838538.db2.gz YJRQMPOJFSGHPM-KRWDZBQOSA-N 0 3 342.399 3.328 20 5 EGBDHN CCC[C@@]1(NCc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000381099130 324244802 /nfs/dbraw/zinc/24/48/02/324244802.db2.gz GOGJLZQVEFGREZ-CQSZACIVSA-N 0 3 343.221 3.406 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCC[C@@H]1COc2ccccc2O1 ZINC000576597171 324646653 /nfs/dbraw/zinc/64/66/53/324646653.db2.gz JTZTUSWHDLOZKB-CJNGLKHVSA-N 0 3 340.379 3.402 20 5 EGBDHN CCOc1cc(CN2CC[C@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000580643964 325277784 /nfs/dbraw/zinc/27/77/84/325277784.db2.gz FOMPJXFFIVZOII-INIZCTEOSA-N 0 3 327.384 3.378 20 5 EGBDHN CCN(C[C@@H]1CCCN1CC)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000581210058 325341779 /nfs/dbraw/zinc/34/17/79/325341779.db2.gz VFFUKWOPAWNTPS-PBHICJAKSA-N 0 3 333.432 3.031 20 5 EGBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000338420319 456807579 /nfs/dbraw/zinc/80/75/79/456807579.db2.gz DMSMYIDOXUKCOO-GFCCVEGCSA-N 0 3 325.434 3.041 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCn3ccnc3)o2)c(Cl)c1 ZINC000237816072 455222679 /nfs/dbraw/zinc/22/26/79/455222679.db2.gz QPYZLQFOVWCZBZ-UHFFFAOYSA-N 0 3 346.774 3.495 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCC[C@H]3CCO)cs2)c1 ZINC000189925551 455254428 /nfs/dbraw/zinc/25/44/28/455254428.db2.gz WAAITMKUZPSYRB-BLLLJJGKSA-N 0 3 347.440 3.359 20 5 EGBDHN CCn1cnnc1[C@@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245531752 455323025 /nfs/dbraw/zinc/32/30/25/455323025.db2.gz UBULCYMRAIZQOH-HUUCEWRRSA-N 0 3 343.431 3.455 20 5 EGBDHN CN(C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000024107772 453725708 /nfs/dbraw/zinc/72/57/08/453725708.db2.gz XORBZTKQPPIEPJ-MRXNPFEDSA-N 0 3 348.334 3.357 20 5 EGBDHN CCN(CC)Cc1cccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000024928644 453751831 /nfs/dbraw/zinc/75/18/31/453751831.db2.gz BPMRSCFPWMFOBN-UHFFFAOYSA-N 0 3 342.399 3.271 20 5 EGBDHN CC[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000026712694 453804186 /nfs/dbraw/zinc/80/41/86/453804186.db2.gz GEVSJNSBJNCCTL-MJGOQNOKSA-N 0 3 344.411 3.384 20 5 EGBDHN CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1 ZINC000027412761 453816834 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EGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1CN1CCCCC1 ZINC000075958001 453942486 /nfs/dbraw/zinc/94/24/86/453942486.db2.gz JRDIEXQTUJIRHI-MRXNPFEDSA-N 0 3 332.404 3.077 20 5 EGBDHN O=[N+]([O-])c1cc(CN2CC[C@@H](c3ccccc3)C2)c2c(c1)COCO2 ZINC000084525541 453994783 /nfs/dbraw/zinc/99/47/83/453994783.db2.gz GTRLINSZSVDOQA-OAHLLOKOSA-N 0 3 340.379 3.451 20 5 EGBDHN CC(C)(C)CCN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000056356211 454054245 /nfs/dbraw/zinc/05/42/45/454054245.db2.gz PDFHEKCCOAIBDZ-UHFFFAOYSA-N 0 3 334.420 3.181 20 5 EGBDHN Cc1c(NC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000045960160 454201188 /nfs/dbraw/zinc/20/11/88/454201188.db2.gz OZDQCAAREGXWOH-QWHCGFSZSA-N 0 3 334.420 3.288 20 5 EGBDHN CN1CCC(Oc2ccc(NCc3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000160094963 455428480 /nfs/dbraw/zinc/42/84/80/455428480.db2.gz CZVJGPWPCQYEQP-UHFFFAOYSA-N 0 3 342.399 3.075 20 5 EGBDHN Cc1c([C@H](C)NCCCN2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000119917697 454236037 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CCC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000182177997 455453366 /nfs/dbraw/zinc/45/33/66/455453366.db2.gz KRXORWYVDMDTML-IRXDYDNUSA-N 0 3 344.411 3.466 20 5 EGBDHN CN(C)[C@]1(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCSC1 ZINC000267134485 455505844 /nfs/dbraw/zinc/50/58/44/455505844.db2.gz WLMGEFGHKWTESX-AWEZNQCLSA-N 0 3 347.387 3.045 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000182492552 455524764 /nfs/dbraw/zinc/52/47/64/455524764.db2.gz FOTHYRCQJUFQOQ-LXZKKBNFSA-N 0 3 331.416 3.352 20 5 EGBDHN CCn1cnnc1[C@@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000161293779 455556636 /nfs/dbraw/zinc/55/66/36/455556636.db2.gz CYYWEMGIFKEZES-DZGCQCFKSA-N 0 3 329.404 3.147 20 5 EGBDHN C[C@H]1CN(C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271344981 455605177 /nfs/dbraw/zinc/60/51/77/455605177.db2.gz NBEBQTUYKNSCEP-JOYOIKCWSA-N 0 3 327.331 3.091 20 5 EGBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000292274956 455615656 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ZINC000337807527 456560332 /nfs/dbraw/zinc/56/03/32/456560332.db2.gz IPYHDDAQMYSYGW-AWEZNQCLSA-N 0 3 337.383 3.085 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000291233554 456574476 /nfs/dbraw/zinc/57/44/76/456574476.db2.gz KNZCFYNSMDPQLV-HXUWFJFHSA-N 0 3 340.423 3.412 20 5 EGBDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000310372892 456580718 /nfs/dbraw/zinc/58/07/18/456580718.db2.gz OJOMLFHIASSPPF-GDBMZVCRSA-N 0 3 326.400 3.373 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1CN(C)CCCN(C)Cc1ccco1 ZINC000353546047 456748171 /nfs/dbraw/zinc/74/81/71/456748171.db2.gz UHAVAISYKMDXHC-UHFFFAOYSA-N 0 3 347.415 3.150 20 5 EGBDHN CC[C@H](C)N[C@H](CNc1c([N+](=O)[O-])nc(C)n1CC)c1ccco1 ZINC000340951366 456780344 /nfs/dbraw/zinc/78/03/44/456780344.db2.gz IUGJWIQWTZQZEH-WCQYABFASA-N 0 3 335.408 3.254 20 5 EGBDHN COc1cc(C[NH2+]C2CC(c3ccc(F)cc3)C2)c([N+](=O)[O-])cc1[O-] ZINC000353782960 456904696 /nfs/dbraw/zinc/90/46/96/456904696.db2.gz WLQKNDGYEIAHGA-UHFFFAOYSA-N 0 3 346.358 3.484 20 5 EGBDHN CN(CCN(C)C1CC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000349359175 456952277 /nfs/dbraw/zinc/95/22/77/456952277.db2.gz ZCIKQDDLIWSSBU-UHFFFAOYSA-N 0 3 329.400 3.381 20 5 EGBDHN Cc1cc(N2CCN3CCC[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359886154 457138182 /nfs/dbraw/zinc/13/81/82/457138182.db2.gz YZQAXWVOJDWISC-NSHDSACASA-N 0 3 329.322 3.206 20 5 EGBDHN Cc1cnc(N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000342197299 457163153 /nfs/dbraw/zinc/16/31/53/457163153.db2.gz GMUXLBJPTYMVPO-GDBMZVCRSA-N 0 3 326.400 3.373 20 5 EGBDHN C[C@H](NC(=O)c1ccccc1CN(C)C)c1ccccc1[N+](=O)[O-] ZINC000362982559 457183075 /nfs/dbraw/zinc/18/30/75/457183075.db2.gz NBQKEQVRKWJRBK-ZDUSSCGKSA-N 0 3 327.384 3.147 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000331855495 457261691 /nfs/dbraw/zinc/26/16/91/457261691.db2.gz FGEAVKAYNWYKLY-VIBAHUMZSA-N 0 3 348.443 3.365 20 5 EGBDHN CN1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)[C@H]2C1 ZINC000352085011 457337405 /nfs/dbraw/zinc/33/74/05/457337405.db2.gz XABUGXFFBHBGPN-HZMBPMFUSA-N 0 3 329.322 3.144 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](CN1CCCC1)c1ccccc1 ZINC000360880698 457403796 /nfs/dbraw/zinc/40/37/96/457403796.db2.gz AMVKXRSKAMNJGJ-INIZCTEOSA-N 0 3 343.431 3.369 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000361045887 457540558 /nfs/dbraw/zinc/54/05/58/457540558.db2.gz ZDSVFUZXLSUHLU-CJNGLKHVSA-N 0 3 343.431 3.195 20 5 EGBDHN C[C@@H](CCO)N(CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000357552080 457592838 /nfs/dbraw/zinc/59/28/38/457592838.db2.gz KCEBMEHRTYTVME-INIZCTEOSA-N 0 3 344.411 3.247 20 5 EGBDHN CC(C)(CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCCCC1 ZINC000357570895 457599417 /nfs/dbraw/zinc/59/94/17/457599417.db2.gz LAJXJYPOQJVENH-UHFFFAOYSA-N 0 3 344.415 3.070 20 5 EGBDHN Cc1c(NC(=O)CCN[C@@H](C)c2cncc(F)c2)cccc1[N+](=O)[O-] ZINC000361132293 457602098 /nfs/dbraw/zinc/60/20/98/457602098.db2.gz OVAWTRBNQRNQBL-LBPRGKRZSA-N 0 3 346.362 3.117 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC12CCN(C)CC2 ZINC000364526474 457632511 /nfs/dbraw/zinc/63/25/11/457632511.db2.gz DNILEYZMYSJLPX-UHFFFAOYSA-N 0 3 346.431 3.304 20 5 EGBDHN C[C@@H](N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1)C(=O)N(C)C ZINC000357870690 457719237 /nfs/dbraw/zinc/71/92/37/457719237.db2.gz HPFGQFMYNNIPGQ-VXGBXAGGSA-N 0 3 347.440 3.451 20 5 EGBDHN COc1ccc(-c2ccc(CNCCC[C@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000433172065 457769636 /nfs/dbraw/zinc/76/96/36/457769636.db2.gz BYAJWHAGNILEMV-LBPRGKRZSA-N 0 3 334.372 3.114 20 5 EGBDHN CN(C)[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000433219339 457783001 /nfs/dbraw/zinc/78/30/01/457783001.db2.gz LJKLNTXMKWZSAH-QGZVFWFLSA-N 0 3 339.395 3.177 20 5 EGBDHN CCC(=O)c1ccc(N2CCC[C@H](N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000366430142 457812521 /nfs/dbraw/zinc/81/25/21/457812521.db2.gz HPMCZPVDXGSMDJ-HNNXBMFYSA-N 0 3 331.416 3.252 20 5 EGBDHN Cc1ccc([C@@H](C)NCC[S@@](=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000358171457 457832161 /nfs/dbraw/zinc/83/21/61/457832161.db2.gz GRJGKEUEVQJGGQ-QKFKETGDSA-N 0 3 332.425 3.362 20 5 EGBDHN C[C@@H](NC[C@H]1COCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000358214811 457863845 /nfs/dbraw/zinc/86/38/45/457863845.db2.gz FIECCKPOCYUYSA-OLZOCXBDSA-N 0 3 348.424 3.389 20 5 EGBDHN COc1cccc(C(=O)Nc2cc(C)cc(CN(C)C)c2)c1[N+](=O)[O-] ZINC000444328407 457888065 /nfs/dbraw/zinc/88/80/65/457888065.db2.gz MXYIOQPJCWEIRV-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN CCc1nc([C@H](C)N[C@H](CC)CSc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000358254689 457890809 /nfs/dbraw/zinc/89/08/09/457890809.db2.gz ZJWMRNBCAJCFJG-NWDGAFQWSA-N 0 3 349.460 3.497 20 5 EGBDHN C[C@H](NC(=O)NCCN1CCCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000444989095 458003170 /nfs/dbraw/zinc/00/31/70/458003170.db2.gz NTFZMRIBFPTPTD-AWEZNQCLSA-N 0 3 348.447 3.077 20 5 EGBDHN COc1ccc(OCCCN2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000446738497 458222854 /nfs/dbraw/zinc/22/28/54/458222854.db2.gz IKRLWMZAZLBWTR-UHFFFAOYSA-N 0 3 342.395 3.431 20 5 EGBDHN Cc1ccc(NC(=O)NC[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447911246 458365066 /nfs/dbraw/zinc/36/50/66/458365066.db2.gz ZJTKVTPERBKUIO-OAHLLOKOSA-N 0 3 334.420 3.145 20 5 EGBDHN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CCCCN1 ZINC000430384677 458445173 /nfs/dbraw/zinc/44/51/73/458445173.db2.gz LWERJDHJABSVED-KRWDZBQOSA-N 0 3 341.367 3.468 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@](O)(C4CC4)C3)o2)cc1 ZINC000373328517 458462605 /nfs/dbraw/zinc/46/26/05/458462605.db2.gz OPVYQXJFONOTCA-GOSISDBHSA-N 0 3 328.368 3.202 20 5 EGBDHN C[C@@H](N[C@H]1CCC[C@@H]2C[C@@H]21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459792964 458480333 /nfs/dbraw/zinc/48/03/33/458480333.db2.gz VCPDUWYFIPRQHL-DWZYQQQCSA-N 0 3 328.372 3.484 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(NC(=O)C(C)C)CC1 ZINC000470173803 458620942 /nfs/dbraw/zinc/62/09/42/458620942.db2.gz FYEUZJRWJHCZGI-PTNGSMBKSA-N 0 3 345.443 3.235 20 5 EGBDHN CCOC(=O)[C@H]1CCCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470174115 458621650 /nfs/dbraw/zinc/62/16/50/458621650.db2.gz QOGAVDNWYMGCOW-DKGMDFAASA-N 0 3 332.400 3.273 20 5 EGBDHN CCCNC(=O)[C@@H]1CCCN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470183842 458623471 /nfs/dbraw/zinc/62/34/71/458623471.db2.gz SMIAGUADGRYILZ-JBXOJTMHSA-N 0 3 345.443 3.236 20 5 EGBDHN CCCN1CCC(N(C)c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000473510800 458832818 /nfs/dbraw/zinc/83/28/18/458832818.db2.gz URIKAVUYFJBHOX-UHFFFAOYSA-N 0 3 328.416 3.454 20 5 EGBDHN CC(C)c1ccc(C(=O)N[C@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000473574705 458836252 /nfs/dbraw/zinc/83/62/52/458836252.db2.gz YCUAKONYZFKHEX-HNNXBMFYSA-N 0 3 345.443 3.465 20 5 EGBDHN Cc1nn(C)c(NCCN2CCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC000440656418 458839732 /nfs/dbraw/zinc/83/97/32/458839732.db2.gz YJAOYZYDJXCTTN-UHFFFAOYSA-N 0 3 335.452 3.095 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000475571824 458953489 /nfs/dbraw/zinc/95/34/89/458953489.db2.gz NMBBBAUDPSSMDQ-HNNXBMFYSA-N 0 3 348.447 3.454 20 5 EGBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000556895585 459029879 /nfs/dbraw/zinc/02/98/79/459029879.db2.gz VAFSQTFJHAMVHW-JGZYNSJSSA-N 0 3 326.396 3.143 20 5 EGBDHN COc1ccc2c(c1)OC[C@@H](N[C@@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594500075 459062867 /nfs/dbraw/zinc/06/28/67/459062867.db2.gz HBKDLFRXNNIGGY-SUMWQHHRSA-N 0 3 340.379 3.184 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1-n1cc(CNC2CCCCC2)nn1 ZINC000594654616 459121004 /nfs/dbraw/zinc/12/10/04/459121004.db2.gz YPDBDZIFGBDBLP-UHFFFAOYSA-N 0 3 335.795 3.251 20 5 EGBDHN COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000590657667 459174213 /nfs/dbraw/zinc/17/42/13/459174213.db2.gz KFXBVIRNXMRJJH-CVEARBPZSA-N 0 3 344.367 3.286 20 5 EGBDHN CCO[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H]1Oc1ccccc1 ZINC000480192333 459186852 /nfs/dbraw/zinc/18/68/52/459186852.db2.gz CIDJMSBOQSFFHE-OTWHNJEPSA-N 0 3 342.395 3.309 20 5 EGBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)nc2c1 ZINC000590726623 459196822 /nfs/dbraw/zinc/19/68/22/459196822.db2.gz CYFQVIADYARXQD-JCURWCKSSA-N 0 3 343.383 3.173 20 5 EGBDHN C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000533238756 459204778 /nfs/dbraw/zinc/20/47/78/459204778.db2.gz KDCCVIDTWZNLOQ-DAXOMENPSA-N 0 3 331.416 3.094 20 5 EGBDHN COc1cc(C[NH2+][C@@H]2CC[C@@H]2c2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000594994794 459208776 /nfs/dbraw/zinc/20/87/76/459208776.db2.gz LUTODPZCQZHESL-HUUCEWRRSA-N 0 3 328.368 3.345 20 5 EGBDHN COCC[C@@H](Cc1ccco1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032346 459223631 /nfs/dbraw/zinc/22/36/31/459223631.db2.gz MYARKAXGVWRUJJ-KBPBESRZSA-N 0 3 348.399 3.495 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](c1ccnn1C)C(C)C ZINC000595039401 459225864 /nfs/dbraw/zinc/22/58/64/459225864.db2.gz DXQIHTMSFCBTNQ-BBRMVZONSA-N 0 3 346.431 3.427 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)C(=O)OC(C)(C)C ZINC000595047795 459228148 /nfs/dbraw/zinc/22/81/48/459228148.db2.gz TZAIADRAJZHSTD-RYUDHWBXSA-N 0 3 338.404 3.232 20 5 EGBDHN COC(C)(C)CN(C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000533482259 459241911 /nfs/dbraw/zinc/24/19/11/459241911.db2.gz BHKYAYVWYNBUFP-UHFFFAOYSA-N 0 3 333.388 3.149 20 5 EGBDHN Cc1c([C@H](C)NCC(C)(C)[C@@]2(O)CCCOC2)cccc1[N+](=O)[O-] ZINC000595099950 459245144 /nfs/dbraw/zinc/24/51/44/459245144.db2.gz HHKWPJGEXPMANA-KBXCAEBGSA-N 0 3 336.432 3.122 20 5 EGBDHN C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C ZINC000523496270 459309959 /nfs/dbraw/zinc/30/99/59/459309959.db2.gz NURHNSWQTXOALE-LSDHHAIUSA-N 0 3 347.459 3.252 20 5 EGBDHN CCN1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000595536128 459336747 /nfs/dbraw/zinc/33/67/47/459336747.db2.gz MRWRZVVSDGHNNX-CQSZACIVSA-N 0 3 344.415 3.166 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN[C@@H](c2cccnc2)C2CCC2)cc1 ZINC000582581204 459388679 /nfs/dbraw/zinc/38/86/79/459388679.db2.gz FPRIAPGMBDCHCG-GOSISDBHSA-N 0 3 327.384 3.500 20 5 EGBDHN CC1(C)CN[C@H]1C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000591672912 459420395 /nfs/dbraw/zinc/42/03/95/459420395.db2.gz SSBCRZUDFNAHRG-INIZCTEOSA-N 0 3 341.367 3.324 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1cccc2c1CCNC2 ZINC000591681120 459421511 /nfs/dbraw/zinc/42/15/11/459421511.db2.gz QFASYRVWVUASHO-UHFFFAOYSA-N 0 3 325.368 3.110 20 5 EGBDHN CC(C)[C@H](O)CNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000525405621 459454450 /nfs/dbraw/zinc/45/44/50/459454450.db2.gz KFEYJJZPPGGBKB-LJQANCHMSA-N 0 3 343.427 3.469 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](NC[C@H](CO)C2CC2)c2ccccc2)c1 ZINC000569534603 459465626 /nfs/dbraw/zinc/46/56/26/459465626.db2.gz LUIVUWFGCYIXRO-IEBWSBKVSA-N 0 3 326.396 3.292 20 5 EGBDHN COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000525642787 459472548 /nfs/dbraw/zinc/47/25/48/459472548.db2.gz BUKJGZVUKVMDJF-QGZVFWFLSA-N 0 3 341.411 3.428 20 5 EGBDHN C[C@@H](CNC(C)(C)c1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000497217705 459490639 /nfs/dbraw/zinc/49/06/39/459490639.db2.gz FAXYNMSRNWKXHC-LBPRGKRZSA-N 0 3 337.420 3.333 20 5 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345.443 3.209 20 5 EGBDHN CCC(=O)N1CCC2(CCN(Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000957481964 1317391662 /nfs/dbraw/zinc/39/16/62/1317391662.db2.gz XOFOGJZHGIEESH-UHFFFAOYSA-N 0 3 345.443 3.209 20 5 EGBDHN Cc1cc(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)cs1 ZINC001020752589 1317905405 /nfs/dbraw/zinc/90/54/05/1317905405.db2.gz UYIXYTGFKBQJDA-SHTZXODSSA-N 0 3 345.424 3.015 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN([C@@H]3C[C@@H]3c3cccc(F)c3)CC2)n1 ZINC000906587345 1318120790 /nfs/dbraw/zinc/12/07/90/1318120790.db2.gz MLLXIAUNLPCXDV-HZPDHXFCSA-N 0 3 330.363 3.123 20 5 EGBDHN CC(=O)N1CCC(NCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811473207 1318182281 /nfs/dbraw/zinc/18/22/81/1318182281.db2.gz YGWPRADCNZTMHY-UHFFFAOYSA-N 0 3 346.214 3.002 20 5 EGBDHN CC(COC(=O)Cc1csc(-c2ccccc2Cl)n1)[N+](=O)[O-] ZINC000813114186 1318502358 /nfs/dbraw/zinc/50/23/58/1318502358.db2.gz ZRZWQZGIXVQESB-VIFPVBQESA-N 0 3 340.788 3.214 20 5 EGBDHN COc1ccccc1/C=C(/C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813115583 1318502531 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341.415 3.323 20 5 EGBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](N)CC1CCCCC1)CC2 ZINC000818608350 1319568008 /nfs/dbraw/zinc/56/80/08/1319568008.db2.gz AFZASKNYXPCHMJ-OAHLLOKOSA-N 0 3 331.416 3.090 20 5 EGBDHN CCOC1CC(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])C1 ZINC000845876357 1321748841 /nfs/dbraw/zinc/74/88/41/1321748841.db2.gz CPMDOTOWPVSDEY-GUOZAKBUSA-N 0 3 339.363 3.280 20 5 EGBDHN Cc1c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cnn1C(C)C ZINC000845875521 1321748952 /nfs/dbraw/zinc/74/89/52/1321748952.db2.gz LOLHXNVMADXCKG-BLLLJJGKSA-N 0 3 349.362 3.475 20 5 EGBDHN CC([C@H](OC(=O)[C@@H]1CCCSC1)c1ccccc1F)[N+](=O)[O-] ZINC000845878657 1321749363 /nfs/dbraw/zinc/74/93/63/1321749363.db2.gz IATYJLFZNIXUSA-GYSYKLTISA-N 0 3 327.377 3.218 20 5 EGBDHN CC(=O)c1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC000845878582 1321749592 /nfs/dbraw/zinc/74/95/92/1321749592.db2.gz HJPPOCMHPOLNII-RFAUZJTJSA-N 0 3 335.287 3.185 20 5 EGBDHN CC([C@H](OC(=O)CCc1cccnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845880587 1321750534 /nfs/dbraw/zinc/75/05/34/1321750534.db2.gz WVEJGRDTQBTCMQ-PXAZEXFGSA-N 0 3 332.331 3.103 20 5 EGBDHN Cc1nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])sc1C ZINC000845883786 1321751152 /nfs/dbraw/zinc/75/11/52/1321751152.db2.gz VZAQALNTQRZLSE-RNCFNFMXSA-N 0 3 338.360 3.462 20 5 EGBDHN CC(COC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC1)[N+](=O)[O-] ZINC000847714143 1321896263 /nfs/dbraw/zinc/89/62/63/1321896263.db2.gz LILGXBGMDWNUPF-SNVBAGLBSA-N 0 3 331.290 3.336 20 5 EGBDHN Cc1nn(C(C)C)cc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000847737449 1321898482 /nfs/dbraw/zinc/89/84/82/1321898482.db2.gz RKKNOHZEEKNFIW-WBMJQRKESA-N 0 3 349.362 3.475 20 5 EGBDHN COCCN(Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CCCC1 ZINC000848476540 1321963166 /nfs/dbraw/zinc/96/31/66/1321963166.db2.gz AQOAHSXZDMVNAV-UHFFFAOYSA-N 0 3 344.415 3.307 20 5 EGBDHN C[S@](=O)[C@H]1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850354882 1322232257 /nfs/dbraw/zinc/23/22/57/1322232257.db2.gz BVSSMXILIFXDGX-KDKPCJNHSA-N 0 3 330.837 3.028 20 5 EGBDHN CCOc1ccc([C@H](C)NCC2SCCS2)cc1[N+](=O)[O-] ZINC000850560062 1322267458 /nfs/dbraw/zinc/26/74/58/1322267458.db2.gz HPNMKYKYIIVVCL-JTQLQIEISA-N 0 3 328.459 3.450 20 5 EGBDHN Cc1nn(CN2CC[C@H]3CCCC[C@@H]3C2)c2ncc([N+](=O)[O-])cc12 ZINC001116207977 1370859188 /nfs/dbraw/zinc/85/91/88/1370859188.db2.gz HDWMBXHNYUZWGT-ZIAGYGMSSA-N 0 3 329.404 3.118 20 5 EGBDHN Oc1cccc2cc3cccc(O)c3c(O[C@H]3CCNC[C@@H]3F)c12 ZINC001218070115 1373553879 /nfs/dbraw/zinc/55/38/79/1373553879.db2.gz LOKYRDNWEVIQGF-BBRMVZONSA-N 0 3 327.355 3.483 20 5 EGBDHN CCCCC(=O)NCC1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222399043 1373837485 /nfs/dbraw/zinc/83/74/85/1373837485.db2.gz NCZCGGWYTNNIMZ-UHFFFAOYSA-N 0 3 333.432 3.113 20 5 EGBDHN COCCN1CCC(Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC001226445654 1375260281 /nfs/dbraw/zinc/26/02/81/1375260281.db2.gz FJLXITTZOLAUFB-UHFFFAOYSA-N 0 3 336.432 3.382 20 5 EGBDHN CC(C)N1CCC[C@H](Oc2cc(Br)cnc2[N+](=O)[O-])C1 ZINC001229559817 1375854702 /nfs/dbraw/zinc/85/47/02/1375854702.db2.gz JTMPRUWDONWSMY-NSHDSACASA-N 0 3 344.209 3.004 20 5 EGBDHN COC(=O)CN1CCN(Cc2c3ccccc3cc3ccccc32)CC1 ZINC001141727964 1378366444 /nfs/dbraw/zinc/36/64/44/1378366444.db2.gz JKAGRQNAXDLJDE-UHFFFAOYSA-N 0 3 348.446 3.284 20 5 EGBDHN O=[N+]([O-])c1cnc(Cl)cc1-n1cncc1CNCc1ccccc1 ZINC001156482477 1380581943 /nfs/dbraw/zinc/58/19/43/1380581943.db2.gz NHKHNRUFIPVFRH-UHFFFAOYSA-N 0 3 343.774 3.119 20 5 EGBDHN NCc1nn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])c2ccccc12 ZINC001156855323 1380697135 /nfs/dbraw/zinc/69/71/35/1380697135.db2.gz CWZRBATZRGFOFS-UHFFFAOYSA-N 0 3 338.154 3.094 20 5 EGBDHN NCc1nn(-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])c2ccccc12 ZINC001156856108 1380697207 /nfs/dbraw/zinc/69/72/07/1380697207.db2.gz WXUWNVKVXHBROK-UHFFFAOYSA-N 0 3 338.154 3.094 20 5 EGBDHN COC(=O)c1cc([N+](=O)[O-])cnc1NCCP(C(C)C)C(C)C ZINC001162358404 1382740125 /nfs/dbraw/zinc/74/01/25/1382740125.db2.gz PBRAJVKNVCEMQI-UHFFFAOYSA-N 0 3 341.348 3.487 20 5 EGBDHN COC(=O)c1ccnc(NCCP(C(C)C)C(C)C)c1[N+](=O)[O-] ZINC001162362006 1382740429 /nfs/dbraw/zinc/74/04/29/1382740429.db2.gz POZZJEHGRFCZRK-UHFFFAOYSA-N 0 3 341.348 3.487 20 5 EGBDHN O=[N+]([O-])c1c(N[C@H]2CNCc3ccsc32)ccc2ncccc21 ZINC001163228591 1382999588 /nfs/dbraw/zinc/99/95/88/1382999588.db2.gz LDQFMHNTGUUCPP-AWEZNQCLSA-N 0 3 326.381 3.461 20 5 EGBDHN CCOc1cccc(CCNc2cc3c(cc2[N+](=O)[O-])CNC3)c1 ZINC001163714364 1383112482 /nfs/dbraw/zinc/11/24/82/1383112482.db2.gz QBIDJWZUKQWDEK-UHFFFAOYSA-N 0 3 327.384 3.251 20 5 EGBDHN O=C(CN[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)c(C(F)(F)F)c1 ZINC001168988895 1384080102 /nfs/dbraw/zinc/08/01/02/1384080102.db2.gz UVAIQKDVSCDPEB-KOLCDFICSA-N 0 3 348.296 3.062 20 5 EGBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2csc(-c3ccc(F)cc3)n2)C1 ZINC001169001226 1384083763 /nfs/dbraw/zinc/08/37/63/1384083763.db2.gz DSDNBUVTQZAMTD-BXUZGUMPSA-N 0 3 335.404 3.484 20 5 EGBDHN Cc1cc(Cl)c(N2CCCc3ccc(CN)nc32)c([N+](=O)[O-])c1 ZINC001169591100 1384162930 /nfs/dbraw/zinc/16/29/30/1384162930.db2.gz BUKFWDZRGYKEMU-UHFFFAOYSA-N 0 3 332.791 3.495 20 5 EGBDHN COc1ccc(C[C@@H](C)NC2(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC001170307815 1384287024 /nfs/dbraw/zinc/28/70/24/1384287024.db2.gz IGGCXDVSELEOGR-CYBMUJFWSA-N 0 3 327.384 3.208 20 5 EGBDHN C[C@@H](Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CNCCO1 ZINC001170569058 1384344105 /nfs/dbraw/zinc/34/41/05/1384344105.db2.gz HWALHFRLLYSQJH-FZKQIMNGSA-N 0 3 327.384 3.051 20 5 EGBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cnc(F)c([N+](=O)[O-])c1 ZINC001170685671 1384365822 /nfs/dbraw/zinc/36/58/22/1384365822.db2.gz DCMZJUZMXWXWGR-JTQLQIEISA-N 0 3 327.319 3.001 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)NCc2c(C)noc2C)c1F ZINC001173175168 1384931738 /nfs/dbraw/zinc/93/17/38/1384931738.db2.gz AOHIHGYXKAASKU-VIFPVBQESA-N 0 3 337.351 3.068 20 5 EGBDHN Cc1ccc(CN2CCCN(c3nccc(C)c3[N+](=O)[O-])CC2)cc1 ZINC001318519144 1385733378 /nfs/dbraw/zinc/73/33/78/1385733378.db2.gz SGRKKMVMQKASIP-UHFFFAOYSA-N 0 3 340.427 3.319 20 5 EGBDHN CC(C)(C)N1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC001319646091 1386229475 /nfs/dbraw/zinc/22/94/75/1386229475.db2.gz HWZIWCNGFJETDF-UHFFFAOYSA-N 0 3 344.415 3.166 20 5 EGBDHN Cc1nc(N[C@H](CN2CCCCC2)c2ccccc2)ncc1[N+](=O)[O-] ZINC001330588959 1389462930 /nfs/dbraw/zinc/46/29/30/1389462930.db2.gz CSKADZMLBFPFRH-MRXNPFEDSA-N 0 3 341.415 3.332 20 5 EGBDHN C[C@H](NCc1c(Br)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC001334056864 1390468748 /nfs/dbraw/zinc/46/87/48/1390468748.db2.gz KVFDOCAWOPAFDZ-WDEREUQCSA-N 0 3 343.221 3.262 20 5 EGBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CC1=CCCCC1 ZINC001753176139 1440336639 /nfs/dbraw/zinc/33/66/39/1440336639.db2.gz FZGYJIXWBMSZIB-UHFFFAOYSA-N 0 3 331.416 3.033 20 5 EGBDHN CN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)C1CCC(C)(C)CC1 ZINC001753266564 1440344868 /nfs/dbraw/zinc/34/48/68/1440344868.db2.gz RXOUPCJWQQXBJW-UHFFFAOYSA-N 0 3 347.459 3.359 20 5 EGBDHN C[C@H](NCCCS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178651064 232338880 /nfs/dbraw/zinc/33/88/80/232338880.db2.gz GXNADKLGTMVXBU-AWEZNQCLSA-N 0 3 348.424 3.109 20 5 EGBDHN COc1ccc(OCCN[C@@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000181518244 234214913 /nfs/dbraw/zinc/21/49/13/234214913.db2.gz SHZPDNYTEOSCBE-LBPRGKRZSA-N 0 3 332.356 3.039 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H](O)C3CC3)o2)c(Cl)c1 ZINC000265103509 247205394 /nfs/dbraw/zinc/20/53/94/247205394.db2.gz UFVFWMMUNWYBBG-OAHLLOKOSA-N 0 3 336.775 3.369 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(OCCN(C)C)cc2)c1 ZINC000266027989 248043195 /nfs/dbraw/zinc/04/31/95/248043195.db2.gz LSMMCVODGQLFTG-UHFFFAOYSA-N 0 3 343.383 3.096 20 5 EGBDHN CCn1cnnc1[C@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266549362 248355650 /nfs/dbraw/zinc/35/56/50/248355650.db2.gz SZVFQDZAALLISI-KBPBESRZSA-N 0 3 329.404 3.147 20 5 EGBDHN COc1cc(NCCN[C@H](C)c2cccc([N+](=O)[O-])c2)cc(OC)c1 ZINC000090719397 217950037 /nfs/dbraw/zinc/95/00/37/217950037.db2.gz GXMNQEOCUXRAEL-CYBMUJFWSA-N 0 3 345.399 3.375 20 5 EGBDHN CCN1CCCC[C@@H]1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094129492 218265666 /nfs/dbraw/zinc/26/56/66/218265666.db2.gz XKXVCVHUALPSTE-OAHLLOKOSA-N 0 3 333.432 3.124 20 5 EGBDHN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1C[C@@H]2CCC[C@@H]2C1 ZINC000153244425 224078951 /nfs/dbraw/zinc/07/89/51/224078951.db2.gz UIDZSPWBKOEEPF-BNOWGMLFSA-N 0 3 328.372 3.438 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN(Cc2cccc(O)c2)CC2CC2)c1 ZINC000154271590 224229341 /nfs/dbraw/zinc/22/93/41/224229341.db2.gz WNHCPXHDNOJWCQ-LJQANCHMSA-N 0 3 342.395 3.246 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCc1ccc(NC(N)=O)cc1 ZINC000344844790 533384392 /nfs/dbraw/zinc/38/43/92/533384392.db2.gz CLIOFFIQIQRUAC-LCYFTJDESA-N 0 3 340.383 3.279 20 5 EGBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCC[C@H]1O ZINC000246767421 141033071 /nfs/dbraw/zinc/03/30/71/141033071.db2.gz PTZXWSPVZCAHHW-CXAGYDPISA-N 0 3 330.384 3.448 20 5 EGBDHN CCCN(CCN1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000353358011 141294963 /nfs/dbraw/zinc/29/49/63/141294963.db2.gz WMGWDSSVTMIQDR-UHFFFAOYSA-N 0 3 334.420 3.325 20 5 EGBDHN C[C@@H](CN1CCCCCC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000356230790 141324061 /nfs/dbraw/zinc/32/40/61/141324061.db2.gz VHLLWFSMMDLSED-LBPRGKRZSA-N 0 3 339.823 3.243 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2noc(CN(CC3CC3)C3CCC3)n2)cc1 ZINC000361580365 144331661 /nfs/dbraw/zinc/33/16/61/144331661.db2.gz XQDVQWGXAPJXJQ-UHFFFAOYSA-N 0 3 328.372 3.409 20 5 EGBDHN C[S@](=O)CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000116918297 152080926 /nfs/dbraw/zinc/08/09/26/152080926.db2.gz WARCRXFZRQXUOQ-JOCHJYFZSA-N 0 3 338.454 3.182 20 5 EGBDHN CC(C)n1cnnc1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000118860387 152159189 /nfs/dbraw/zinc/15/91/89/152159189.db2.gz DMBKINDMTDDZJF-HNNXBMFYSA-N 0 3 329.404 3.147 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000310971558 154144979 /nfs/dbraw/zinc/14/49/79/154144979.db2.gz RHZZSIAVVZHNDF-MRXNPFEDSA-N 0 3 343.431 3.054 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@]1(C)CCO[C@@H]1C1CC1 ZINC000368765533 157284982 /nfs/dbraw/zinc/28/49/82/157284982.db2.gz PNNJTWGSGXDOKN-MSOLQXFVSA-N 0 3 334.416 3.288 20 5 EGBDHN O=[N+]([O-])c1ccc(NC2CCN(CCc3ccccc3)CC2)nc1 ZINC000075669880 161706757 /nfs/dbraw/zinc/70/67/57/161706757.db2.gz HQEBEIJHMILARM-UHFFFAOYSA-N 0 3 326.400 3.109 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(NCC2CCN(c3ccncc3)CC2)c1 ZINC000338692561 163319950 /nfs/dbraw/zinc/31/99/50/163319950.db2.gz IWGZNVVGKNPDKS-UHFFFAOYSA-N 0 3 342.399 3.327 20 5 EGBDHN COc1cccc(C[C@@H](C)NCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000344126718 164109406 /nfs/dbraw/zinc/10/94/06/164109406.db2.gz IHBPHBMMGYYACC-LLVKDONJSA-N 0 3 335.791 3.373 20 5 EGBDHN COc1cc(CNCCCc2ccccc2F)c([N+](=O)[O-])cc1OC ZINC000355589718 166252817 /nfs/dbraw/zinc/25/28/17/166252817.db2.gz XXSPJCOWLROKCA-UHFFFAOYSA-N 0 3 348.374 3.474 20 5 EGBDHN CCc1ccc([C@H](CNc2c([N+](=O)[O-])c(C)nn2CC)N(C)C)cc1 ZINC000359375356 167139742 /nfs/dbraw/zinc/13/97/42/167139742.db2.gz ZJJTZJMGMKKLRV-INIZCTEOSA-N 0 3 345.447 3.397 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cccc(C)c1[N+](=O)[O-])c1ccco1 ZINC000359550259 167189125 /nfs/dbraw/zinc/18/91/25/167189125.db2.gz XOPMFXRNKUJCKU-HIFRSBDPSA-N 0 3 345.399 3.355 20 5 EGBDHN O=C1NCCCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000238088922 266254222 /nfs/dbraw/zinc/25/42/22/266254222.db2.gz GDXFOUWQGFJBEG-OAHLLOKOSA-N 0 3 345.424 3.082 20 5 EGBDHN COc1ccc(C(=O)Nc2cc(C)cc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000270379927 266504185 /nfs/dbraw/zinc/50/41/85/266504185.db2.gz NCLWZHFXWKRDPC-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C/CNC[C@H](O)CCc1ccccc1 ZINC000273084092 266973814 /nfs/dbraw/zinc/97/38/14/266973814.db2.gz JPLYEQJSIRSZHU-WGLAMXGCSA-N 0 3 326.396 3.191 20 5 EGBDHN CC[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000273147487 266985045 /nfs/dbraw/zinc/98/50/45/266985045.db2.gz LFOXLOXDMNVHFY-HZPDHXFCSA-N 0 3 330.384 3.075 20 5 EGBDHN Cc1ccc([C@@H](C)NCCc2cn3c(n2)SCC3)cc1[N+](=O)[O-] ZINC000274334458 267219175 /nfs/dbraw/zinc/21/91/75/267219175.db2.gz BRLPCYCXVKPJCR-GFCCVEGCSA-N 0 3 332.429 3.099 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCN(c3ccccn3)C1)CCC2 ZINC000249044197 275038065 /nfs/dbraw/zinc/03/80/65/275038065.db2.gz VOUGHZZBIGJZMI-YJBOKZPZSA-N 0 3 338.411 3.236 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000047452781 275141696 /nfs/dbraw/zinc/14/16/96/275141696.db2.gz FPVGBOXHGHOHHV-ZHACJKMWSA-N 0 3 325.368 3.308 20 5 EGBDHN CCOc1ccc([C@@H](C)NCC2([C@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271919221 275241511 /nfs/dbraw/zinc/24/15/11/275241511.db2.gz ZPMDWKONPVVXTQ-CXAGYDPISA-N 0 3 336.432 3.441 20 5 EGBDHN COCC1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000281846737 275581918 /nfs/dbraw/zinc/58/19/18/275581918.db2.gz BAIYUVVTWFUABY-UHFFFAOYSA-N 0 3 330.331 3.103 20 5 EGBDHN Cc1ccc(CNC[C@]2(CO)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000289773644 276391953 /nfs/dbraw/zinc/39/19/53/276391953.db2.gz IYQVLHUYYWDFHV-HKUYNNGSSA-N 0 3 326.396 3.159 20 5 EGBDHN C[C@H](CN1CCCCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289847112 276405334 /nfs/dbraw/zinc/40/53/34/276405334.db2.gz XQZFUIWFLCGFEK-LLVKDONJSA-N 0 3 340.811 3.244 20 5 EGBDHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000122789882 278438857 /nfs/dbraw/zinc/43/88/57/278438857.db2.gz NNHPBKGAJLMZDP-ZIAGYGMSSA-N 0 3 335.404 3.130 20 5 EGBDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000357852221 292688517 /nfs/dbraw/zinc/68/85/17/292688517.db2.gz NIXIBTRTHYYDHX-KSSFIOAISA-N 0 3 341.411 3.324 20 5 EGBDHN CN(C)CCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000067678522 289135601 /nfs/dbraw/zinc/13/56/01/289135601.db2.gz ZPEZIMMBSADZMR-UHFFFAOYSA-N 0 3 333.432 3.179 20 5 EGBDHN CN(C)CCN(Cc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000349034419 289145806 /nfs/dbraw/zinc/14/58/06/289145806.db2.gz CZMSUPGVZKSGMD-UHFFFAOYSA-N 0 3 331.391 3.298 20 5 EGBDHN O=[N+]([O-])c1cccc(CNCCOc2ccc(C(F)(F)F)cn2)c1 ZINC000152224032 307748257 /nfs/dbraw/zinc/74/82/57/307748257.db2.gz QZEFKXDWPOWFEL-UHFFFAOYSA-N 0 3 341.289 3.177 20 5 EGBDHN CC[C@H](NC[C@@H](O)COc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000152573294 307755517 /nfs/dbraw/zinc/75/55/17/307755517.db2.gz FVPRYZCYEVIOHU-AEFFLSMTSA-N 0 3 348.374 3.215 20 5 EGBDHN Cc1c([C@H](C)NCCNC(=O)CC2CCCC2)cccc1[N+](=O)[O-] ZINC000153659400 307778117 /nfs/dbraw/zinc/77/81/17/307778117.db2.gz KKDUPFDFVJVFRZ-AWEZNQCLSA-N 0 3 333.432 3.250 20 5 EGBDHN CCOc1ccc([C@H](C)NCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000153964857 307785078 /nfs/dbraw/zinc/78/50/78/307785078.db2.gz CKCWHDUIUMRKSF-LBPRGKRZSA-N 0 3 338.404 3.376 20 5 EGBDHN CCOc1ccc([C@H](C)N[C@@H]2CCCC(F)(F)[C@H]2O)cc1[N+](=O)[O-] ZINC000414298824 309071252 /nfs/dbraw/zinc/07/12/52/309071252.db2.gz KFZGFHOTHKYGEU-NVBFEUDRSA-N 0 3 344.358 3.193 20 5 EGBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCCC(F)(F)[C@H]2O)cc1[N+](=O)[O-] ZINC000414298821 309071379 /nfs/dbraw/zinc/07/13/79/309071379.db2.gz KFZGFHOTHKYGEU-HCKVZZMMSA-N 0 3 344.358 3.193 20 5 EGBDHN C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1[C@H](C)CC[C@@H]1C ZINC000249057411 308017986 /nfs/dbraw/zinc/01/79/86/308017986.db2.gz XVZKWBYTGDUXCB-GRYCIOLGSA-N 0 3 339.823 3.126 20 5 EGBDHN C[C@@H]1CCC[C@]1(O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000292999998 308088787 /nfs/dbraw/zinc/08/87/87/308088787.db2.gz MZOMBFYEFNDDBT-PXAZEXFGSA-N 0 3 347.440 3.359 20 5 EGBDHN C[C@H](NC[C@H](c1ccsc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293829032 308165819 /nfs/dbraw/zinc/16/58/19/308165819.db2.gz SHYYQYIPIVNFHW-MEDUHNTESA-N 0 3 334.445 3.192 20 5 EGBDHN COc1ccccc1O[C@@H](C)CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294653123 308242387 /nfs/dbraw/zinc/24/23/87/308242387.db2.gz GWJJYXKNIRDVOY-STQMWFEESA-N 0 3 345.399 3.304 20 5 EGBDHN O=[N+]([O-])c1cnc(N[C@H](CN2CCCC2)c2ccccc2)c(F)c1 ZINC000413040122 309012851 /nfs/dbraw/zinc/01/28/51/309012851.db2.gz GGFBAVABSURLMO-MRXNPFEDSA-N 0 3 330.363 3.378 20 5 EGBDHN Cc1c(CNC(=O)C[C@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000416225001 309164614 /nfs/dbraw/zinc/16/46/14/309164614.db2.gz IJDYJBZFUXMWPR-GOSISDBHSA-N 0 3 341.411 3.212 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCN1CCSCC1)CCCC2 ZINC000417301716 309201022 /nfs/dbraw/zinc/20/10/22/309201022.db2.gz BWKDRORHHPPVMW-KRWDZBQOSA-N 0 3 335.473 3.001 20 5 EGBDHN O=C1C[C@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@H]2CCCCN12 ZINC000417329880 309201906 /nfs/dbraw/zinc/20/19/06/309201906.db2.gz KBKSWIWWDUZDSU-FGTMMUONSA-N 0 3 343.427 3.105 20 5 EGBDHN CC[C@@H](C)NC(=O)CCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417346576 309202455 /nfs/dbraw/zinc/20/24/55/309202455.db2.gz VWJGPBNXZQDOQU-DYVFJYSZSA-N 0 3 333.432 3.257 20 5 EGBDHN O=[N+]([O-])c1ccc(OC2CCN(CCOCC3CCC3)CC2)cc1 ZINC000419223242 309261597 /nfs/dbraw/zinc/26/15/97/309261597.db2.gz YHWVMLAAXKUEKJ-UHFFFAOYSA-N 0 3 334.416 3.255 20 5 EGBDHN CC(=O)N[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000421382127 309321951 /nfs/dbraw/zinc/32/19/51/309321951.db2.gz BIWUXAYXARGHRK-CQSZACIVSA-N 0 3 345.424 3.034 20 5 EGBDHN N[C@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CCC1 ZINC000423215299 309390908 /nfs/dbraw/zinc/39/09/08/309390908.db2.gz QGTSVHPSTLPPAF-KRWDZBQOSA-N 0 3 341.367 3.453 20 5 EGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCc1cccc(C(=O)N(C)C)c1 ZINC000449073469 310035025 /nfs/dbraw/zinc/03/50/25/310035025.db2.gz NHLRDMGQNKVZRG-AWEZNQCLSA-N 0 3 341.411 3.017 20 5 EGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000449237747 310046796 /nfs/dbraw/zinc/04/67/96/310046796.db2.gz CWMQZGPZXNHDPS-GOEBONIOSA-N 0 3 345.443 3.049 20 5 EGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H](CO)c1ccc(F)cc1 ZINC000449380490 310057609 /nfs/dbraw/zinc/05/76/09/310057609.db2.gz NKTUMFSYVFELMQ-SUMWQHHRSA-N 0 3 332.375 3.378 20 5 EGBDHN CO[C@@H](CNC/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000449392998 310058428 /nfs/dbraw/zinc/05/84/28/310058428.db2.gz LJFMLCBRIMQQMG-RLGIIYIFSA-N 0 3 326.396 3.455 20 5 EGBDHN CN(CCN(C)C1CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450460769 310123885 /nfs/dbraw/zinc/12/38/85/310123885.db2.gz QQELASZWZNOPAK-UHFFFAOYSA-N 0 3 332.429 3.249 20 5 EGBDHN CC(C)O[C@H]1C[C@@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000451487943 310180803 /nfs/dbraw/zinc/18/08/03/310180803.db2.gz ACNHHHDVZJRFQO-CABCVRRESA-N 0 3 332.404 3.153 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCSC[C@@H]1C1CC1 ZINC000451645774 310190768 /nfs/dbraw/zinc/19/07/68/310190768.db2.gz BVEMSUVLEDHEKX-MRXNPFEDSA-N 0 3 349.456 3.059 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1Cc2cccc(OC)c2C1 ZINC000459699599 310569578 /nfs/dbraw/zinc/56/95/78/310569578.db2.gz MGEYAPKBPMRINB-HNNXBMFYSA-N 0 3 342.395 3.259 20 5 EGBDHN C[C@H](N[C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459787847 310575517 /nfs/dbraw/zinc/57/55/17/310575517.db2.gz QNIDEEQIOREZPW-QPPBUOOMSA-N 0 3 337.807 3.353 20 5 EGBDHN Cc1cc(N2CC[C@H](N3CC=CC3)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000461933341 310593658 /nfs/dbraw/zinc/59/36/58/310593658.db2.gz FIKDPUNNUQRHFC-LBPRGKRZSA-N 0 3 341.333 3.373 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCNC(=O)OC(C)(C)C ZINC000492514247 311260192 /nfs/dbraw/zinc/26/01/92/311260192.db2.gz WCCDHJPMJLLBGZ-RAXLEYEMSA-N 0 3 335.404 3.112 20 5 EGBDHN CCCC[C@@H]1CCC[C@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000492846297 311298360 /nfs/dbraw/zinc/29/83/60/311298360.db2.gz IADBTBBDOUXIJM-RHSMWYFYSA-N 0 3 345.443 3.432 20 5 EGBDHN C[C@H](CN1CCCCCC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000501208557 311940756 /nfs/dbraw/zinc/94/07/56/311940756.db2.gz KFQFINWXNVHFPV-OAHLLOKOSA-N 0 3 347.459 3.253 20 5 EGBDHN CCc1ccc([C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000513382625 312208642 /nfs/dbraw/zinc/20/86/42/312208642.db2.gz YBGIXMRXCDDQSC-KRWDZBQOSA-N 0 3 328.416 3.233 20 5 EGBDHN CCOc1ccc(NC(=O)CN[C@@H](CC)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000538390338 314243774 /nfs/dbraw/zinc/24/37/74/314243774.db2.gz QLUOHBKHUPPWLC-HNNXBMFYSA-N 0 3 337.420 3.346 20 5 EGBDHN COc1ccc(F)cc1[C@@H](C)NCCOc1cccc([N+](=O)[O-])c1 ZINC000539271147 314304335 /nfs/dbraw/zinc/30/43/35/314304335.db2.gz VQYKXKMJZIIDQK-GFCCVEGCSA-N 0 3 334.347 3.472 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccnc4ccccc34)C2)nc1 ZINC000539838275 314344227 /nfs/dbraw/zinc/34/42/27/314344227.db2.gz QIDMNUAFMBRKJG-OAHLLOKOSA-N 0 3 349.394 3.224 20 5 EGBDHN COc1ccc([C@@H](C)NCCOc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000540329918 314374851 /nfs/dbraw/zinc/37/48/51/314374851.db2.gz NGVXPKQRVBWKKN-CYBMUJFWSA-N 0 3 346.383 3.342 20 5 EGBDHN O=C(CCNCCSc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000548825368 315052341 /nfs/dbraw/zinc/05/23/41/315052341.db2.gz FNZNHBLAZBAFCN-UHFFFAOYSA-N 0 3 345.424 3.305 20 5 EGBDHN COC(=O)c1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000554848620 315352161 /nfs/dbraw/zinc/35/21/61/315352161.db2.gz PLIWRNDRPBQTJJ-UHFFFAOYSA-N 0 3 328.368 3.056 20 5 EGBDHN Cc1ccc(NC(=O)[C@H]2CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000563370111 316009072 /nfs/dbraw/zinc/00/90/72/316009072.db2.gz QOEDRAJMNAMHMD-INIZCTEOSA-N 0 3 339.395 3.364 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CCN(C)C)C[C@H]1CCCO1 ZINC000564313563 316134641 /nfs/dbraw/zinc/13/46/41/316134641.db2.gz YPZYZVXGJKYFNL-KVVHSQDJSA-N 0 3 347.459 3.041 20 5 EGBDHN C[C@H](C(=O)Nc1ccccc1CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000581700796 325383434 /nfs/dbraw/zinc/38/34/34/325383434.db2.gz AFEQFVINWDVXOL-AWEZNQCLSA-N 0 3 341.411 3.441 20 5 EGBDHN COc1ccccc1[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000157968637 455254589 /nfs/dbraw/zinc/25/45/89/455254589.db2.gz XUBCZMPNRJEGAB-HNNXBMFYSA-N 0 3 342.395 3.472 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCC[C@@H]3CCO)cs2)c1 ZINC000189925527 455254832 /nfs/dbraw/zinc/25/48/32/455254832.db2.gz WAAITMKUZPSYRB-WBMJQRKESA-N 0 3 347.440 3.359 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN[C@@H](c2cccc(F)c2)C2CCCC2)c1 ZINC000180998612 455274887 /nfs/dbraw/zinc/27/48/87/455274887.db2.gz AAUHLDCKBUOOOM-QGZVFWFLSA-N 0 3 332.379 3.452 20 5 EGBDHN CC[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000026712690 453804214 /nfs/dbraw/zinc/80/42/14/453804214.db2.gz GEVSJNSBJNCCTL-IEBWSBKVSA-N 0 3 344.411 3.384 20 5 EGBDHN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1CN1CCCCC1 ZINC000087275687 454074738 /nfs/dbraw/zinc/07/47/38/454074738.db2.gz RAPUVDGENGXTMA-SFHVURJKSA-N 0 3 345.443 3.004 20 5 EGBDHN CN(C)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1cccs1 ZINC000057703934 454142175 /nfs/dbraw/zinc/14/21/75/454142175.db2.gz MINJHYUNQKAXOK-SECBINFHSA-N 0 3 337.430 3.080 20 5 EGBDHN O=[N+]([O-])c1ccc(CCNCc2cnn(Cc3ccccc3)c2)cc1 ZINC000058093289 454163262 /nfs/dbraw/zinc/16/32/62/454163262.db2.gz DIYDFCKJNSEKAI-UHFFFAOYSA-N 0 3 336.395 3.172 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN(Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000060039629 454267238 /nfs/dbraw/zinc/26/72/38/454267238.db2.gz MIWDIBCVTKGCBN-GOSISDBHSA-N 0 3 330.384 3.412 20 5 EGBDHN COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C)N(C)C)c1 ZINC000072062623 454270234 /nfs/dbraw/zinc/27/02/34/454270234.db2.gz PRLQZODNHKOTNH-MRXNPFEDSA-N 0 3 330.388 3.022 20 5 EGBDHN Cc1ccc(C(=O)NCCN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000131856393 454291571 /nfs/dbraw/zinc/29/15/71/454291571.db2.gz XYZZOHIEEBYNFG-HNNXBMFYSA-N 0 3 341.411 3.292 20 5 EGBDHN Cc1ccc([C@@H]2CCCCN2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000090550548 454319923 /nfs/dbraw/zinc/31/99/23/454319923.db2.gz ORRARLGEKKQGMS-SFHVURJKSA-N 0 3 341.411 3.292 20 5 EGBDHN C[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](C)C1 ZINC000047119428 454331367 /nfs/dbraw/zinc/33/13/67/454331367.db2.gz ZOUBVIRYNKDYMW-RYUDHWBXSA-N 0 3 339.823 3.098 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)N1CCC[C@H](C)C1 ZINC000063582912 454425625 /nfs/dbraw/zinc/42/56/25/454425625.db2.gz ILNGMWYCMPVOGL-ZDUSSCGKSA-N 0 3 333.432 3.144 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(CC2CCCCC2)CC1 ZINC000064129821 454466968 /nfs/dbraw/zinc/46/69/68/454466968.db2.gz CNMVFINUFGZTQO-UHFFFAOYSA-N 0 3 347.459 3.301 20 5 EGBDHN COCC[C@@H](C)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000102426359 454505195 /nfs/dbraw/zinc/50/51/95/454505195.db2.gz LLSQHKSUBZAOBJ-GFCCVEGCSA-N 0 3 334.372 3.378 20 5 EGBDHN CN(CCOc1ccc(F)cc1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065209080 454537927 /nfs/dbraw/zinc/53/79/27/454537927.db2.gz VCCJKAWJPHQOMW-UHFFFAOYSA-N 0 3 334.347 3.124 20 5 EGBDHN CCN(CCC(=O)OC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000092380098 454558156 /nfs/dbraw/zinc/55/81/56/454558156.db2.gz JCNPZADZIXLRAO-UHFFFAOYSA-N 0 3 332.356 3.240 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134863069 454599599 /nfs/dbraw/zinc/59/95/99/454599599.db2.gz OCWITYOQGKNKHN-KDOFPFPSSA-N 0 3 345.443 3.052 20 5 EGBDHN CCC[C@H](C)NC(=O)[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000051050847 454606773 /nfs/dbraw/zinc/60/67/73/454606773.db2.gz NPECKJWZBVVWIM-DOTOQJQBSA-N 0 3 347.459 3.154 20 5 EGBDHN COc1cc(CN[C@H]2C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000105437347 454639110 /nfs/dbraw/zinc/63/91/10/454639110.db2.gz VTJMSYUYXWYWJF-SCZZXKLOSA-N 0 3 334.294 3.043 20 5 EGBDHN COc1cc(CN[C@@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000105437353 454639157 /nfs/dbraw/zinc/63/91/57/454639157.db2.gz VTJMSYUYXWYWJF-WCBMZHEXSA-N 0 3 334.294 3.043 20 5 EGBDHN CN(C)CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000052408117 454671467 /nfs/dbraw/zinc/67/14/67/454671467.db2.gz LQROVINEZYWMOL-UHFFFAOYSA-N 0 3 333.363 3.286 20 5 EGBDHN COC(=O)CCC1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093341438 454703612 /nfs/dbraw/zinc/70/36/12/454703612.db2.gz ZNQIOWWFTDFGEA-GQCTYLIASA-N 0 3 332.400 3.273 20 5 EGBDHN CC[C@H](CCO)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000152659940 454708259 /nfs/dbraw/zinc/70/82/59/454708259.db2.gz HDEXUGVGTKFMHP-CYBMUJFWSA-N 0 3 348.399 3.362 20 5 EGBDHN CCN(C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000176412102 454740728 /nfs/dbraw/zinc/74/07/28/454740728.db2.gz SUYBRVANGAQRTM-CQSZACIVSA-N 0 3 345.365 3.301 20 5 EGBDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000144760737 454850411 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CCCCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCC ZINC000156577298 455134730 /nfs/dbraw/zinc/13/47/30/455134730.db2.gz KYNNTEMBQBPIKR-UHFFFAOYSA-N 0 3 339.461 3.169 20 5 EGBDHN CCOc1ccc([C@@H](C)NC[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000152567088 455137417 /nfs/dbraw/zinc/13/74/17/455137417.db2.gz DVTHOMVMNFZWPR-DYVFJYSZSA-N 0 3 330.384 3.378 20 5 EGBDHN CNCc1cccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c1 ZINC000237296010 455169453 /nfs/dbraw/zinc/16/94/53/455169453.db2.gz YVZZNRYPUJLJES-UHFFFAOYSA-N 0 3 340.383 3.141 20 5 EGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000184685705 455428412 /nfs/dbraw/zinc/42/84/12/455428412.db2.gz PNTRRAUTJKTRFK-RDJZCZTQSA-N 0 3 347.459 3.154 20 5 EGBDHN COc1ccc(NC(=O)CCN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000182404608 455506952 /nfs/dbraw/zinc/50/69/52/455506952.db2.gz LMMUFEVTRNKMSV-ZDUSSCGKSA-N 0 3 343.383 3.283 20 5 EGBDHN CCn1cnnc1[C@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000161293859 455556316 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Cc1ccc(CN[C@H](CN(C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000290126412 456246885 /nfs/dbraw/zinc/24/68/85/456246885.db2.gz MOQZFLAERQFXLN-QGZVFWFLSA-N 0 3 331.391 3.435 20 5 EGBDHN CC[C@H]1CCCCN1CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000301916815 456250790 /nfs/dbraw/zinc/25/07/90/456250790.db2.gz HFJNNZZYANPNNC-LBPRGKRZSA-N 0 3 325.384 3.419 20 5 EGBDHN Cc1ccc([C@H](C)N[C@@H]2COc3ccccc3[C@@H]2O)cc1[N+](=O)[O-] ZINC000290211327 456267976 /nfs/dbraw/zinc/26/79/76/456267976.db2.gz HHEGBGGCVXQLEG-PNPHSEOMSA-N 0 3 328.368 3.048 20 5 EGBDHN C[C@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CCN1C ZINC000334042731 456290026 /nfs/dbraw/zinc/29/00/26/456290026.db2.gz XAPBBMKMAJDWAR-JSGCOSHPSA-N 0 3 333.432 3.105 20 5 EGBDHN COC(=O)CC1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000347664378 456291490 /nfs/dbraw/zinc/29/14/90/456291490.db2.gz PPPIDVROTJBEAJ-UHFFFAOYSA-N 0 3 344.367 3.430 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000302152974 456300997 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Cc1cc(NC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000338352301 456782939 /nfs/dbraw/zinc/78/29/39/456782939.db2.gz GMQUZKCKSIUPDJ-TZMCWYRMSA-N 0 3 334.420 3.145 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1NCCCN1CCc2ccccc2C1 ZINC000301171662 456813219 /nfs/dbraw/zinc/81/32/19/456813219.db2.gz DXADVCYJJTUHIQ-UHFFFAOYSA-N 0 3 326.400 3.159 20 5 EGBDHN COCCOc1ccccc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000348678641 456813396 /nfs/dbraw/zinc/81/33/96/456813396.db2.gz XSHSJQJTZPGKLS-UHFFFAOYSA-N 0 3 344.411 3.295 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc4cc[nH]c43)C2)nc1 ZINC000353717327 456869900 /nfs/dbraw/zinc/86/99/00/456869900.db2.gz MQLRIWYSMXKDRU-HNNXBMFYSA-N 0 3 337.383 3.158 20 5 EGBDHN C/C=C\C[C@H](CO)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000349820316 457066624 /nfs/dbraw/zinc/06/66/24/457066624.db2.gz FNNBVDVZWYVWLM-DHCBQETCSA-N 0 3 346.383 3.280 20 5 EGBDHN CC[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000331312110 457164688 /nfs/dbraw/zinc/16/46/88/457164688.db2.gz CCQDUFKCLJRGID-WVZRYYJFSA-N 0 3 333.432 3.423 20 5 EGBDHN CN(CCc1ccc2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-] ZINC000360009967 457200660 /nfs/dbraw/zinc/20/06/60/457200660.db2.gz KBYBAZGFGNKCTF-UHFFFAOYSA-N 0 3 328.368 3.041 20 5 EGBDHN Cc1nc(C)n(C[C@@H]2CCCN([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000331722391 457238309 /nfs/dbraw/zinc/23/83/09/457238309.db2.gz KFFLKFVHJQHAAI-XJKSGUPXSA-N 0 3 343.431 3.276 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(c2nncn2C)CC1 ZINC000347356158 457371313 /nfs/dbraw/zinc/37/13/13/457371313.db2.gz ISHSTYYZVGMALQ-GXDHUFHOSA-N 0 3 341.415 3.006 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(O[C@H]2CCOC2)CC1 ZINC000347367884 457378797 /nfs/dbraw/zinc/37/87/97/457378797.db2.gz NDDGUVKKIQWJOK-LSSBLYJVSA-N 0 3 346.427 3.268 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2Cc2ccccc2)n1 ZINC000360873001 457397936 /nfs/dbraw/zinc/39/79/36/457397936.db2.gz POAMSATUVGSVGY-MRXNPFEDSA-N 0 3 326.400 3.375 20 5 EGBDHN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C ZINC000347405642 457405472 /nfs/dbraw/zinc/40/54/72/457405472.db2.gz ADTMTGQPTRHRCA-LBPRGKRZSA-N 0 3 339.461 3.167 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000360884515 457407098 /nfs/dbraw/zinc/40/70/98/457407098.db2.gz RTLVQTJKWGTWAQ-KRWDZBQOSA-N 0 3 340.427 3.399 20 5 EGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342621783 457409676 /nfs/dbraw/zinc/40/96/76/457409676.db2.gz RKJXRFDHDKKBCT-CQSZACIVSA-N 0 3 342.399 3.237 20 5 EGBDHN Cc1cc(N2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000425279891 457480778 /nfs/dbraw/zinc/48/07/78/457480778.db2.gz WFPAXKMYRVKFGD-FUHWJXTLSA-N 0 3 338.411 3.009 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000361012663 457511751 /nfs/dbraw/zinc/51/17/51/457511751.db2.gz GWSAJEODXMYOQM-BBRMVZONSA-N 0 3 343.431 3.052 20 5 EGBDHN CCCN(CCN1CCCCC1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000342775788 457516922 /nfs/dbraw/zinc/51/69/22/457516922.db2.gz AIUGNULUOYGXRJ-UHFFFAOYSA-N 0 3 333.432 3.241 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CCc4c[nH]nc4C3)o2)cc1 ZINC000374541288 457652111 /nfs/dbraw/zinc/65/21/11/457652111.db2.gz LHCSDOXAXDKIRS-CQSZACIVSA-N 0 3 338.367 3.225 20 5 EGBDHN CC(=O)Nc1ccc(CNC/C(C)=C\c2cccc([N+](=O)[O-])c2)cn1 ZINC000433203854 457778493 /nfs/dbraw/zinc/77/84/93/457778493.db2.gz DBRDVEQDYKYBHV-JYRVWZFOSA-N 0 3 340.383 3.141 20 5 EGBDHN C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1 ZINC000443656477 457798495 /nfs/dbraw/zinc/79/84/95/457798495.db2.gz LOXXCMYAFBZNTH-KEYYUXOJSA-N 0 3 331.416 3.068 20 5 EGBDHN CNC(=O)c1ccc(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000358235963 457878340 /nfs/dbraw/zinc/87/83/40/457878340.db2.gz SFPXSPYOIHZPCW-CYBMUJFWSA-N 0 3 327.384 3.114 20 5 EGBDHN CC[C@H]1CCCC[C@H]1N(C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000444666641 457932491 /nfs/dbraw/zinc/93/24/91/457932491.db2.gz AGYUHELLDHKZLZ-XJKSGUPXSA-N 0 3 349.431 3.443 20 5 EGBDHN Cc1cccc(O[C@H]2CCCC[C@@H]2NCc2c([N+](=O)[O-])ncn2C)c1 ZINC000362020171 458008834 /nfs/dbraw/zinc/00/88/34/458008834.db2.gz WSYHIKKBSVJFEO-RDJZCZTQSA-N 0 3 344.415 3.117 20 5 EGBDHN CC(C)[C@H](c1ccc(F)cc1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000434620001 458023147 /nfs/dbraw/zinc/02/31/47/458023147.db2.gz WBCVGDGYXXOKHR-GOSISDBHSA-N 0 3 347.390 3.225 20 5 EGBDHN Cc1c([C@@H](C)NCc2cccc(-n3cncn3)c2)cccc1[N+](=O)[O-] ZINC000362236969 458043794 /nfs/dbraw/zinc/04/37/94/458043794.db2.gz HVNYSWRRPLDPQU-CQSZACIVSA-N 0 3 337.383 3.335 20 5 EGBDHN Cc1cc(N2CC[C@@H](c3nccn3C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000371733212 458053476 /nfs/dbraw/zinc/05/34/76/458053476.db2.gz AXWOJFKMEFTBTL-CYBMUJFWSA-N 0 3 337.383 3.179 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000375817511 458080537 /nfs/dbraw/zinc/08/05/37/458080537.db2.gz UIEUDSGTVUSJKS-GJZGRUSLSA-N 0 3 328.416 3.262 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)CCN1CCOC(C)(C)C1 ZINC000435039718 458083352 /nfs/dbraw/zinc/08/33/52/458083352.db2.gz ILVKQGHYVHEXNZ-VBKFSLOCSA-N 0 3 347.459 3.041 20 5 EGBDHN CN(C)CCN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000412193386 458124056 /nfs/dbraw/zinc/12/40/56/458124056.db2.gz NMFHMIVHRLCZAG-ZWKOTPCHSA-N 0 3 345.443 3.031 20 5 EGBDHN COc1cccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447512109 458302113 /nfs/dbraw/zinc/30/21/13/458302113.db2.gz XCNDBKBJSHJDAA-HOTGVXAUSA-N 0 3 330.388 3.073 20 5 EGBDHN O=C(CC1CCCC1)NCCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447543150 458307564 /nfs/dbraw/zinc/30/75/64/458307564.db2.gz RDOFDHGBGOVXRG-GOSISDBHSA-N 0 3 345.443 3.258 20 5 EGBDHN C[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])N1CCC(C)CC1 ZINC000429803760 458373166 /nfs/dbraw/zinc/37/31/66/458373166.db2.gz GPFDDNYOVCVXEX-HNNXBMFYSA-N 0 3 347.459 3.109 20 5 EGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429799805 458373412 /nfs/dbraw/zinc/37/34/12/458373412.db2.gz GPZWAYOIVPKNMZ-HUUCEWRRSA-N 0 3 347.459 3.109 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CNC3(CO)CCSCC3)o2)c1 ZINC000459729198 458459754 /nfs/dbraw/zinc/45/97/54/458459754.db2.gz OMESSJRMSSVGIT-UHFFFAOYSA-N 0 3 348.424 3.203 20 5 EGBDHN CN(C)CCc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000438572669 458601017 /nfs/dbraw/zinc/60/10/17/458601017.db2.gz SMGNMWZSKYFYKP-UHFFFAOYSA-N 0 3 345.374 3.019 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@@H]3C[C@@H](O)C3(C)C)o2)c([N+](=O)[O-])c1 ZINC000494469395 458684110 /nfs/dbraw/zinc/68/41/10/458684110.db2.gz CNJZFZUHDVRMRU-IAGOWNOFSA-N 0 3 346.383 3.112 20 5 EGBDHN COc1ccc(-c2ccc(CNCCC3CC(O)C3)o2)c([N+](=O)[O-])c1 ZINC000432362964 458724467 /nfs/dbraw/zinc/72/44/67/458724467.db2.gz QUKKTJJOGMBOOM-UHFFFAOYSA-N 0 3 346.383 3.114 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000463960924 458725858 /nfs/dbraw/zinc/72/58/58/458725858.db2.gz YOFDTQXZDXSQGG-DOMZBBRYSA-N 0 3 348.447 3.454 20 5 EGBDHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)c1ncccc1[N+](=O)[O-] ZINC000439695503 458741035 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C[C@H](c1ccccc1)[C@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594498236 459062142 /nfs/dbraw/zinc/06/21/42/459062142.db2.gz ICFHUSFKVKDNOB-BVGQSLNGSA-N 0 3 326.396 3.336 20 5 EGBDHN CCC(C)(C)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594534308 459081861 /nfs/dbraw/zinc/08/18/61/459081861.db2.gz DJQBSOLOLGQYDW-UHFFFAOYSA-N 0 3 338.383 3.072 20 5 EGBDHN Cc1ccc([C@@H](NCCn2ccc([N+](=O)[O-])n2)c2ccccc2)cc1 ZINC000478424704 459091080 /nfs/dbraw/zinc/09/10/80/459091080.db2.gz DZINQFYIPUTBCG-IBGZPJMESA-N 0 3 336.395 3.479 20 5 EGBDHN CC(C)c1ccc(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961949 459194507 /nfs/dbraw/zinc/19/45/07/459194507.db2.gz BLBJLWYNNQMMHT-GGOJBBCOSA-N 0 3 338.473 3.498 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1([C@@H](C)CCO)CCC1 ZINC000595029264 459222158 /nfs/dbraw/zinc/22/21/58/459222158.db2.gz YFKFJZVFOFHRLD-KBPBESRZSA-N 0 3 336.432 3.443 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000595037088 459224799 /nfs/dbraw/zinc/22/47/99/459224799.db2.gz BKUVUEGERZBYAE-BHDSKKPTSA-N 0 3 348.321 3.100 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN2CCCN(Cc3ccccc3)CC2)cc1 ZINC000522268991 459232662 /nfs/dbraw/zinc/23/26/62/459232662.db2.gz CRZZRXALEPPXFM-UHFFFAOYSA-N 0 3 339.439 3.345 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@H](C4CCC4)C3)o2)cc1 ZINC000591062219 459303384 /nfs/dbraw/zinc/30/33/84/459303384.db2.gz YCNBGNIQSVLZTK-AWEZNQCLSA-N 0 3 328.372 3.267 20 5 EGBDHN COC[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1cccc(OC)c1 ZINC000595684586 459396316 /nfs/dbraw/zinc/39/63/16/459396316.db2.gz PHDDISVWTKHMKK-GOSISDBHSA-N 0 3 330.384 3.123 20 5 EGBDHN C[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1[C@H](C)CC[C@H]1C ZINC000582652426 459402547 /nfs/dbraw/zinc/40/25/47/459402547.db2.gz SMMXXDVUNFHZHH-RBSFLKMASA-N 0 3 345.443 3.347 20 5 EGBDHN Cc1c(CNCCC(=O)N(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000596062051 459504704 /nfs/dbraw/zinc/50/47/04/459504704.db2.gz GSTAATIXPVQNJY-UHFFFAOYSA-N 0 3 327.384 3.046 20 5 EGBDHN Cc1c(CN2C[C@H](c3cnn(C)c3)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000569890916 459524420 /nfs/dbraw/zinc/52/44/20/459524420.db2.gz GBCWELRONTWCNO-MRXNPFEDSA-N 0 3 328.416 3.262 20 5 EGBDHN O=[N+]([O-])c1cc(N2CC[C@@H](N3CC=CC3)C2)ccc1C(F)(F)F ZINC000596140352 459534344 /nfs/dbraw/zinc/53/43/44/459534344.db2.gz GZGIXLNSDSPADV-GFCCVEGCSA-N 0 3 327.306 3.064 20 5 EGBDHN Cc1cc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596156429 459541326 /nfs/dbraw/zinc/54/13/26/459541326.db2.gz QJFNQFHVNYPHNG-TXEJJXNPSA-N 0 3 327.450 3.266 20 5 EGBDHN O=[N+]([O-])c1cc(C(F)F)ccc1NC1CCN([C@H]2CCOC2)CC1 ZINC000596168828 459545833 /nfs/dbraw/zinc/54/58/33/459545833.db2.gz XUGBMFOCTSXWOB-ZDUSSCGKSA-N 0 3 341.358 3.198 20 5 EGBDHN Cc1ccnc(NCC2CCN(Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000596442894 459637798 /nfs/dbraw/zinc/63/77/98/459637798.db2.gz VBJAZRNTGFERHF-UHFFFAOYSA-N 0 3 341.415 3.017 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCOc1ncccc1Cl ZINC000573506730 459688574 /nfs/dbraw/zinc/68/85/74/459688574.db2.gz VERRPSAUHYVUJK-AWEZNQCLSA-N 0 3 333.775 3.299 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN[C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000584265735 459693989 /nfs/dbraw/zinc/69/39/89/459693989.db2.gz WOJMFEOSMDZBRA-GOSISDBHSA-N 0 3 328.368 3.346 20 5 EGBDHN CC[C@@H]1COC(C)(C)CN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000593056778 459758185 /nfs/dbraw/zinc/75/81/85/459758185.db2.gz PEKJHGHRBOCGMM-CQSZACIVSA-N 0 3 349.431 3.121 20 5 EGBDHN COC(=O)[C@@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C1CC1 ZINC000593129408 459782829 /nfs/dbraw/zinc/78/28/29/459782829.db2.gz HSFNKGKHIBJBFV-OAUYIBNBSA-N 0 3 332.400 3.095 20 5 EGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000598261322 459841510 /nfs/dbraw/zinc/84/15/10/459841510.db2.gz QURJHMBSWOKXCW-HNNXBMFYSA-N 0 3 347.459 3.109 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H]2CCCN(Cc3cnc4n3CCC4)C2)cc1 ZINC000597138309 459849630 /nfs/dbraw/zinc/84/96/30/459849630.db2.gz PRCMAYSBQKZFSK-HNNXBMFYSA-N 0 3 326.400 3.117 20 5 EGBDHN C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@]1(C)CO ZINC000597237413 459888217 /nfs/dbraw/zinc/88/82/17/459888217.db2.gz ZXUZQZMURUXKJE-SCLBCKFNSA-N 0 3 330.384 3.305 20 5 EGBDHN O=C(CCN1CCCc2sccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000609322953 459942598 /nfs/dbraw/zinc/94/25/98/459942598.db2.gz ODOLBXYKVDHFGB-UHFFFAOYSA-N 0 3 345.424 3.433 20 5 EGBDHN CC(C)(C)c1ccc(C(=O)N[C@@H]2CCN(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000609383481 459955151 /nfs/dbraw/zinc/95/51/51/459955151.db2.gz PNLVEVFGRXJXIL-OAHLLOKOSA-N 0 3 345.443 3.106 20 5 EGBDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000609383440 459955677 /nfs/dbraw/zinc/95/56/77/459955677.db2.gz NWLOERKVJWNPRN-CYBMUJFWSA-N 0 3 345.424 3.024 20 5 EGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000602480132 459959987 /nfs/dbraw/zinc/95/99/87/459959987.db2.gz UDTVMOSUZLTHRL-DGCLKSJQSA-N 0 3 344.333 3.472 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CCC(NCc3ccc(F)cc3F)CC2)cn1 ZINC000602523663 459980930 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Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000602785505 460124518 /nfs/dbraw/zinc/12/45/18/460124518.db2.gz UPQIYMXVCWEPLS-LRDDRELGSA-N 0 3 332.379 3.322 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC(C3CCCC3)CC2)c1 ZINC000610370793 460138599 /nfs/dbraw/zinc/13/85/99/460138599.db2.gz JJOUIPTVGWGBIN-GOSISDBHSA-N 0 3 348.443 3.237 20 5 EGBDHN O=[N+]([O-])c1sccc1NCc1ccccc1CN1CCC(O)CC1 ZINC000610914861 460259630 /nfs/dbraw/zinc/25/96/30/460259630.db2.gz KKGFVOQNJOPCST-UHFFFAOYSA-N 0 3 347.440 3.225 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@H](CO)CC3CC3)o2)c([N+](=O)[O-])c1 ZINC000611108219 460289937 /nfs/dbraw/zinc/28/99/37/460289937.db2.gz IDPPFUYCCBEKKQ-ZDUSSCGKSA-N 0 3 346.383 3.114 20 5 EGBDHN CN(CCOC(C)(C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000611274671 460325579 /nfs/dbraw/zinc/32/55/79/460325579.db2.gz BWSWOBJNVVAHDQ-UHFFFAOYSA-N 0 3 346.431 3.242 20 5 EGBDHN COc1ccc(OCCN[C@H](C)c2cnccc2C)c([N+](=O)[O-])c1 ZINC000611939763 460491820 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EGBDHN CCN(C)C(=O)[C@H](C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000188890334 527781927 /nfs/dbraw/zinc/78/19/27/527781927.db2.gz BCLLHLAVRXGTLV-LBPRGKRZSA-N 0 3 347.440 3.280 20 5 EGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000177820033 527897295 /nfs/dbraw/zinc/89/72/95/527897295.db2.gz XSTLOXJHMOPMRK-OLZOCXBDSA-N 0 3 349.456 3.016 20 5 EGBDHN CCOc1ccc([C@H](C)NC[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000153626309 528607238 /nfs/dbraw/zinc/60/72/38/528607238.db2.gz XJQCEHYOCDZTDA-WMLDXEAASA-N 0 3 344.411 3.248 20 5 EGBDHN CC(C)N1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000129333419 529002201 /nfs/dbraw/zinc/00/22/01/529002201.db2.gz RADDORMFPCQJSG-UHFFFAOYSA-N 0 3 343.225 3.037 20 5 EGBDHN COC1(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000339456413 536617919 /nfs/dbraw/zinc/61/79/19/536617919.db2.gz ZBTJLTBCGIUQIZ-UHFFFAOYSA-N 0 3 330.331 3.245 20 5 EGBDHN COc1ccc(-c2ccc(CN3CCCO[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000353453123 536896281 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O=C(CC1=CCCCC1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020027210 1317507300 /nfs/dbraw/zinc/50/73/00/1317507300.db2.gz RAIINHKSPUHHAO-QAQDUYKDSA-N 0 3 343.427 3.222 20 5 EGBDHN Cc1cc(C(F)(F)F)nn1CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903163978 1317666841 /nfs/dbraw/zinc/66/68/41/1317666841.db2.gz KBYHTBFXTPSHEM-LLVKDONJSA-N 0 3 342.321 3.469 20 5 EGBDHN Cc1cc2c(o1)c(C(=O)OCC(C)[N+](=O)[O-])ccc2Br ZINC000813108919 1318499954 /nfs/dbraw/zinc/49/99/54/1318499954.db2.gz CBJISDCDZRZXNH-SSDOTTSWSA-N 0 3 342.145 3.326 20 5 EGBDHN CC(C)c1noc2nc(C3CC3)cc(C(=O)OCC(C)[N+](=O)[O-])c21 ZINC000813109041 1318500609 /nfs/dbraw/zinc/50/06/09/1318500609.db2.gz DQXHSTVIIKXAIG-SECBINFHSA-N 0 3 333.344 3.046 20 5 EGBDHN CC(COC(=O)Cn1c2ccccc2nc1C1CCCCC1)[N+](=O)[O-] ZINC000813112828 1318502580 /nfs/dbraw/zinc/50/25/80/1318502580.db2.gz UHFHXZDJUBGXHR-CYBMUJFWSA-N 0 3 345.399 3.292 20 5 EGBDHN CC(C)(C)c1ccncc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819366618 1319710080 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3.033 20 5 EGBDHN CC([C@H](OC(=O)CCC1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873671 1321748327 /nfs/dbraw/zinc/74/83/27/1321748327.db2.gz DNJLPYZZRQKWPG-SJCJKPOMSA-N 0 3 339.363 3.282 20 5 EGBDHN CC([C@H](OC(=O)COCC1CCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845876310 1321748670 /nfs/dbraw/zinc/74/86/70/1321748670.db2.gz BYOXAXSDOSNTEC-SJCJKPOMSA-N 0 3 339.363 3.282 20 5 EGBDHN CC([C@@H](OC(=O)[C@H]1CCC(=O)C[C@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000845877322 1321749677 /nfs/dbraw/zinc/74/96/77/1321749677.db2.gz PAVGLYWYZKTOTI-RLSLPTNOSA-N 0 3 337.347 3.081 20 5 EGBDHN CCCc1nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])co1 ZINC000845878520 1321749725 /nfs/dbraw/zinc/74/97/25/1321749725.db2.gz HCIWMTQJUYSZHX-BONVTDFDSA-N 0 3 336.319 3.330 20 5 EGBDHN CCC(C)(C)OCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845881246 1321750525 /nfs/dbraw/zinc/75/05/25/1321750525.db2.gz KROJOMOXIOEDPQ-IAQYHMDHSA-N 0 3 327.352 3.280 20 5 EGBDHN Cc1nc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])sc1C ZINC000845883789 1321750920 /nfs/dbraw/zinc/75/09/20/1321750920.db2.gz VZAQALNTQRZLSE-ZANVPECISA-N 0 3 338.360 3.462 20 5 EGBDHN CC([C@@H](OC(=O)c1occ2c1CCOC2)c1ccccc1F)[N+](=O)[O-] ZINC000845884555 1321751343 /nfs/dbraw/zinc/75/13/43/1321751343.db2.gz ZMBYQEZALJYUBQ-MEBBXXQBSA-N 0 3 349.314 3.055 20 5 EGBDHN CCC(C)(C)N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000848650772 1321986302 /nfs/dbraw/zinc/98/63/02/1321986302.db2.gz VVNDPOMDHFZSPW-UHFFFAOYSA-N 0 3 336.461 3.098 20 5 EGBDHN CC(COC(=O)Cc1ccc(OCc2ccccc2)cc1)[N+](=O)[O-] ZINC000851037368 1322326065 /nfs/dbraw/zinc/32/60/65/1322326065.db2.gz UKKWGYBKPNQAEF-CQSZACIVSA-N 0 3 329.352 3.017 20 5 EGBDHN CCc1c[nH]c(=O)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000851109111 1322335902 /nfs/dbraw/zinc/33/59/02/1322335902.db2.gz VQEQUTJVRLDABQ-BMIGLBTASA-N 0 3 348.330 3.052 20 5 EGBDHN O=C(CCN(Cc1ccoc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000934003892 1329939467 /nfs/dbraw/zinc/93/94/67/1329939467.db2.gz KTFBGILLQNQEQS-UHFFFAOYSA-N 0 3 329.356 3.181 20 5 EGBDHN Cc1ccn2cc(CN[C@@H](C)Cc3ccc(F)cc3[N+](=O)[O-])nc2c1 ZINC000866260707 1330086881 /nfs/dbraw/zinc/08/68/81/1330086881.db2.gz WHBPAZGFNDEBRY-ZDUSSCGKSA-N 0 3 342.374 3.411 20 5 EGBDHN CCCC(=O)N1CCC(CN(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001029925938 1341122498 /nfs/dbraw/zinc/12/24/98/1341122498.db2.gz QYRDDWDWIKFEGE-UHFFFAOYSA-N 0 3 333.432 3.065 20 5 EGBDHN Cc1cc(N2CCN(C)CC2)ccc1Nc1ccccc1[N+](=O)[O-] ZINC001206165010 1370977715 /nfs/dbraw/zinc/97/77/15/1370977715.db2.gz XBXGTJMLYVWZTA-UHFFFAOYSA-N 0 3 326.400 3.399 20 5 EGBDHN CN1CCN(Cc2cccc(Nc3ccc(F)cc3[N+](=O)[O-])c2)CC1 ZINC001210953302 1372460109 /nfs/dbraw/zinc/46/01/09/1372460109.db2.gz GKVBEZVNLFIQIE-UHFFFAOYSA-N 0 3 344.390 3.225 20 5 EGBDHN C[C@H](NC(=O)CN)c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001212020428 1372647628 /nfs/dbraw/zinc/64/76/28/1372647628.db2.gz GXCVGIYHVQTIHO-LBPRGKRZSA-N 0 3 346.390 3.179 20 5 EGBDHN CCCc1ccc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)s1 ZINC001128327137 1373252255 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C[C@H]1CN(Cc2ccccc2)C[C@@H]1Oc1c(O)cccc1[N+](=O)[O-] ZINC001226341814 1375242854 /nfs/dbraw/zinc/24/28/54/1375242854.db2.gz VHZAYVGBJSEJFH-GUYCJALGSA-N 0 3 328.368 3.200 20 5 EGBDHN Cc1ccc(O[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC001227218551 1375407809 /nfs/dbraw/zinc/40/78/09/1375407809.db2.gz GHWUEFFQGSVQCU-INIZCTEOSA-N 0 3 327.384 3.342 20 5 EGBDHN Cc1ccc(O[C@@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC001227218555 1375408249 /nfs/dbraw/zinc/40/82/49/1375408249.db2.gz GHWUEFFQGSVQCU-MRXNPFEDSA-N 0 3 327.384 3.342 20 5 EGBDHN Cc1[nH]c(=O)cc(OC(C(=O)c2ccco2)c2ccco2)c1[N+](=O)[O-] ZINC001228685115 1375639610 /nfs/dbraw/zinc/63/96/10/1375639610.db2.gz DSEQMOGJBIKANT-INIZCTEOSA-N 0 3 344.279 3.193 20 5 EGBDHN O=[N+]([O-])c1ccc2ccc(N[C@@H]3CNCc4ccsc43)nc2c1 ZINC001155561700 1380469106 /nfs/dbraw/zinc/46/91/06/1380469106.db2.gz OEFQSCDNCDGBHB-CQSZACIVSA-N 0 3 326.381 3.461 20 5 EGBDHN Cn1c(CNc2cc3c(cc2[N+](=O)[O-])CNC3)ccc1C(F)(F)F ZINC001162755108 1382859791 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CC/C(C)=C\C(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001164447473 1383187612 /nfs/dbraw/zinc/18/76/12/1383187612.db2.gz LUYGNXBDKMGOEM-QINSGFPZSA-N 0 3 345.443 3.327 20 5 EGBDHN O=[N+]([O-])c1cc2c(cc1NCc1cccc3c1OC(F)(F)O3)CNC2 ZINC001168355717 1383881809 /nfs/dbraw/zinc/88/18/09/1383881809.db2.gz YKGQNOSUKLQTDA-UHFFFAOYSA-N 0 3 349.293 3.132 20 5 EGBDHN Cc1ccc2c(ccnc2N2CCCc3ccc(CN)nc32)c1[N+](=O)[O-] ZINC001169583377 1384161760 /nfs/dbraw/zinc/16/17/60/1384161760.db2.gz FLBCPEJWGFHMAF-UHFFFAOYSA-N 0 3 349.394 3.389 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@@H](NCc1nccnc1Cl)CC2 ZINC001172897371 1384873843 /nfs/dbraw/zinc/87/38/43/1384873843.db2.gz ZWNLVJVLBMIENI-ZDUSSCGKSA-N 0 3 332.791 3.075 20 5 EGBDHN O=[N+]([O-])c1cc2c(cc1CN1CC[C@H]3CCCC[C@@H]3C1)OCCO2 ZINC001320475298 1386620433 /nfs/dbraw/zinc/62/04/33/1386620433.db2.gz LIOMYOPYEBCPAP-ZIAGYGMSSA-N 0 3 332.400 3.378 20 5 EGBDHN CCCN1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001340092914 1390224783 /nfs/dbraw/zinc/22/47/83/1390224783.db2.gz LKPSCDPPCJUXLN-GOEBONIOSA-N 0 3 333.432 3.345 20 5 EGBDHN Cc1cccc(NC[C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2)n1 ZINC001340938626 1390408864 /nfs/dbraw/zinc/40/88/64/1390408864.db2.gz AINBVRGTCLHVHT-KRWDZBQOSA-N 0 3 326.400 3.375 20 5 EGBDHN C[C@@H]1CN(c2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)[C@H](C)CN1C ZINC001164643228 719212907 /nfs/dbraw/zinc/21/29/07/719212907.db2.gz YKEIXHRAAOZGFZ-GHMZBOCLSA-N 0 3 334.807 3.325 20 5 EGBDHN CC[C@H](NCCNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000178453777 529603529 /nfs/dbraw/zinc/60/35/29/529603529.db2.gz FICLDKXHRVKXSD-KRWDZBQOSA-N 0 3 345.374 3.205 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@H](O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC000181807111 234330290 /nfs/dbraw/zinc/33/02/90/234330290.db2.gz WWDRYSOZLGAQKV-HIFRSBDPSA-N 0 3 348.374 3.133 20 5 EGBDHN COc1ccc([C@H](O)CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000192638223 239813820 /nfs/dbraw/zinc/81/38/20/239813820.db2.gz HBPUEIFTZLFETG-RTBURBONSA-N 0 3 342.395 3.304 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000376079140 168864474 /nfs/dbraw/zinc/86/44/74/168864474.db2.gz HAEHBUJXDSQKMI-DZGCQCFKSA-N 0 3 344.415 3.153 20 5 EGBDHN CCC(CC)(CO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000265262041 247349130 /nfs/dbraw/zinc/34/91/30/247349130.db2.gz RFUNMRHNFGVFJG-UHFFFAOYSA-N 0 3 335.429 3.359 20 5 EGBDHN CCn1cnnc1[C@@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266549364 248355436 /nfs/dbraw/zinc/35/54/36/248355436.db2.gz SZVFQDZAALLISI-UONOGXRCSA-N 0 3 329.404 3.147 20 5 EGBDHN C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000091959985 218094929 /nfs/dbraw/zinc/09/49/29/218094929.db2.gz QXCFVDDCZXEJEN-VVEVLUTRSA-N 0 3 326.400 3.388 20 5 EGBDHN CSC[C@H]1CCCN1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093760644 218246478 /nfs/dbraw/zinc/24/64/78/218246478.db2.gz UDZXXGMXWQBUJF-MRXNPFEDSA-N 0 3 346.456 3.323 20 5 EGBDHN COc1ccc(-c2ccc(CNC3CCC(O)CC3)o2)c([N+](=O)[O-])c1 ZINC000237424201 141002154 /nfs/dbraw/zinc/00/21/54/141002154.db2.gz WQBMVCDMYJJLIX-UHFFFAOYSA-N 0 3 346.383 3.257 20 5 EGBDHN CCN1C[C@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000346189486 141175988 /nfs/dbraw/zinc/17/59/88/141175988.db2.gz JOGHFURJQLIIQK-KBPBESRZSA-N 0 3 344.415 3.164 20 5 EGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346212355 141181551 /nfs/dbraw/zinc/18/15/51/141181551.db2.gz WYSMVZIFRSGNNK-RYUDHWBXSA-N 0 3 339.823 3.098 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C\CN(CCCO)Cc1ccccc1 ZINC000353330462 141289066 /nfs/dbraw/zinc/28/90/66/141289066.db2.gz KTOBZBACBXONTJ-WDZFZDKYSA-N 0 3 326.396 3.493 20 5 EGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H](N2CCCC2)C1 ZINC000171446472 144003797 /nfs/dbraw/zinc/00/37/97/144003797.db2.gz UKWJMKMVBGBJPE-AWEZNQCLSA-N 0 3 345.424 3.120 20 5 EGBDHN CC[C@@H]1CCCCN1CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172153920 144016139 /nfs/dbraw/zinc/01/61/39/144016139.db2.gz ZSBWCGRTAILLON-GOEBONIOSA-N 0 3 348.447 3.220 20 5 EGBDHN C[C@H](NCc1ccc(Cn2cncn2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178641388 144073729 /nfs/dbraw/zinc/07/37/29/144073729.db2.gz KLKBMEQSZADJTN-AWEZNQCLSA-N 0 3 337.383 3.085 20 5 EGBDHN COc1cccc(NC[C@H](c2cccc(F)c2)N(C)C)c1[N+](=O)[O-] ZINC000185102318 144104596 /nfs/dbraw/zinc/10/45/96/144104596.db2.gz BIWKTETZYBFQQA-OAHLLOKOSA-N 0 3 333.363 3.457 20 5 EGBDHN COc1cccc(NC[C@H](c2ccc(F)cc2)N(C)C)c1[N+](=O)[O-] ZINC000185213045 144107282 /nfs/dbraw/zinc/10/72/82/144107282.db2.gz OAYHRWQKNNXJEM-OAHLLOKOSA-N 0 3 333.363 3.457 20 5 EGBDHN CCOC(=O)C[C@@](C)(NCc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000186691250 144141200 /nfs/dbraw/zinc/14/12/00/144141200.db2.gz GPYVHDBTNYPFMT-QGZVFWFLSA-N 0 3 338.404 3.061 20 5 EGBDHN CC(C)N(C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000351536646 144275599 /nfs/dbraw/zinc/27/55/99/144275599.db2.gz NRCNOTQGUCEBTH-UHFFFAOYSA-N 0 3 334.157 3.040 20 5 EGBDHN CC[C@@H]1CCCCN1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351617822 144288247 /nfs/dbraw/zinc/28/82/47/144288247.db2.gz CTZPTHSRQBHHMA-GFCCVEGCSA-N 0 3 338.383 3.120 20 5 EGBDHN Cc1ccc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000303485319 154045190 /nfs/dbraw/zinc/04/51/90/154045190.db2.gz PDMCEFZRQMZIDB-HNNXBMFYSA-N 0 3 341.411 3.154 20 5 EGBDHN Cc1cc(C(=O)NC[C@H](C)N(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000303454574 154046295 /nfs/dbraw/zinc/04/62/95/154046295.db2.gz KIUGHRMJSNZEKR-HNNXBMFYSA-N 0 3 341.411 3.154 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCCC[C@H]1C ZINC000337353270 154302279 /nfs/dbraw/zinc/30/22/79/154302279.db2.gz BFHRVKZYOPYPAU-KGLIPLIRSA-N 0 3 334.420 3.288 20 5 EGBDHN CN(C)CCN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1F ZINC000349063128 156339686 /nfs/dbraw/zinc/33/96/86/156339686.db2.gz PGCOXCHNRKDEIT-UHFFFAOYSA-N 0 3 349.381 3.437 20 5 EGBDHN COCCOC[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093754985 162025550 /nfs/dbraw/zinc/02/55/50/162025550.db2.gz XWEKQQZTRFVPBL-INIZCTEOSA-N 0 3 336.432 3.203 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000305052480 163073088 /nfs/dbraw/zinc/07/30/88/163073088.db2.gz NFFSUJKSQFEZTE-IRXDYDNUSA-N 0 3 330.384 3.318 20 5 EGBDHN O=[N+]([O-])c1ccc(CCNCc2ccnn2-c2ccc(F)cc2)cc1 ZINC000354351385 166007887 /nfs/dbraw/zinc/00/78/87/166007887.db2.gz KLHANKDKGWQMLY-UHFFFAOYSA-N 0 3 340.358 3.252 20 5 EGBDHN CCCN1CCC[C@@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000343980717 164076293 /nfs/dbraw/zinc/07/62/93/164076293.db2.gz UHKIKOWHZHUFJX-SNVBAGLBSA-N 0 3 332.326 3.295 20 5 EGBDHN CC(C)CC[C@@H]1CCCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000351670577 165126516 /nfs/dbraw/zinc/12/65/16/165126516.db2.gz VOBOOBBASWOVAN-INIZCTEOSA-N 0 3 333.432 3.484 20 5 EGBDHN CCOC(=O)C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000351941899 165160060 /nfs/dbraw/zinc/16/00/60/165160060.db2.gz YBEJGZVSXTUTJE-UHFFFAOYSA-N 0 3 344.367 3.288 20 5 EGBDHN CCc1nn(C)c(N[C@H]2CCN([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000359503722 167173618 /nfs/dbraw/zinc/17/36/18/167173618.db2.gz AFKIDWIAEZOFSO-ZFWWWQNUSA-N 0 3 343.431 3.138 20 5 EGBDHN Cn1cnc([N+](=O)[O-])c1CN1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000367540320 168238846 /nfs/dbraw/zinc/23/88/46/168238846.db2.gz KOKPPEJIDIRWRJ-BZUAXINKSA-N 0 3 326.400 3.096 20 5 EGBDHN C[C@H]1C[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])CN1C1CC1 ZINC000122262619 222048135 /nfs/dbraw/zinc/04/81/35/222048135.db2.gz XATJSGDXAADDJU-GXSJLCMTSA-N 0 3 340.221 3.394 20 5 EGBDHN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)Cc1ccccc1 ZINC000193506891 266038163 /nfs/dbraw/zinc/03/81/63/266038163.db2.gz KCOQLJOJMJCFLR-IBGZPJMESA-N 0 3 328.412 3.409 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195316966 266174440 /nfs/dbraw/zinc/17/44/40/266174440.db2.gz TWFSYXPHZNXLHY-XHSDSOJGSA-N 0 3 335.448 3.005 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000269680367 266340381 /nfs/dbraw/zinc/34/03/81/266340381.db2.gz XXGKDELJRNTFHR-MJGOQNOKSA-N 0 3 341.411 3.205 20 5 EGBDHN CC(C)c1ccc([C@H](N)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000236775116 273563902 /nfs/dbraw/zinc/56/39/02/273563902.db2.gz ZNXOHXATTBVCRY-MRXNPFEDSA-N 0 3 345.374 3.287 20 5 EGBDHN COc1cc(CN[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c([N+](=O)[O-])cc1OC ZINC000367684196 274094432 /nfs/dbraw/zinc/09/44/32/274094432.db2.gz KGAYHHFMNUQPIE-GDIGMMSISA-N 0 3 340.379 3.040 20 5 EGBDHN Cc1cc(N2CCN(C3CCC3)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000340807164 274706530 /nfs/dbraw/zinc/70/65/30/274706530.db2.gz WNMDMBAQQLBFDB-UHFFFAOYSA-N 0 3 326.400 3.126 20 5 EGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H](N2CCCCC2)C1 ZINC000264435088 275011567 /nfs/dbraw/zinc/01/15/67/275011567.db2.gz BDFUSWDMWHKSEU-OAHLLOKOSA-N 0 3 343.383 3.041 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CCN([C@@H]3CCCc4ccccc43)CC2)cn1 ZINC000058423377 275036389 /nfs/dbraw/zinc/03/63/89/275036389.db2.gz MUBSNDMQCFWWBM-GOSISDBHSA-N 0 3 338.411 3.189 20 5 EGBDHN C[C@H](CO[C@H]1CCOC1)N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279124593 275305788 /nfs/dbraw/zinc/30/57/88/275305788.db2.gz QHQVDELHQASHOD-HACGYAERSA-N 0 3 334.416 3.101 20 5 EGBDHN COc1ccc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000279660066 275347481 /nfs/dbraw/zinc/34/74/81/275347481.db2.gz DCZGCSMRZLVQPY-KBRIMQKVSA-N 0 3 332.400 3.041 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000280007929 275390090 /nfs/dbraw/zinc/39/00/90/275390090.db2.gz LQLHELXDUTWVCB-KSSFIOAISA-N 0 3 341.411 3.324 20 5 EGBDHN CC(C)(C)c1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000043963298 275535243 /nfs/dbraw/zinc/53/52/43/275535243.db2.gz SMECMBHAFINJFT-UHFFFAOYSA-N 0 3 345.443 3.249 20 5 EGBDHN CC(C)N(CCN(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289813582 276399462 /nfs/dbraw/zinc/39/94/62/276399462.db2.gz VWTXNWOOWIGELK-UHFFFAOYSA-N 0 3 328.800 3.052 20 5 EGBDHN CC[C@H](N[C@@H]1COc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000289855349 276406891 /nfs/dbraw/zinc/40/68/91/276406891.db2.gz BKKLHOGMXQFRQB-LZLYRXPVSA-N 0 3 328.368 3.130 20 5 EGBDHN Cc1c([C@H](C)N[C@@H]2COc3ccccc3[C@@H]2O)cccc1[N+](=O)[O-] ZINC000290531507 276507981 /nfs/dbraw/zinc/50/79/81/276507981.db2.gz ZKLUIWONDVMILQ-PNPHSEOMSA-N 0 3 328.368 3.048 20 5 EGBDHN COCCCN1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000292574713 276828726 /nfs/dbraw/zinc/82/87/26/276828726.db2.gz TXDWCPYZAXWMGG-UHFFFAOYSA-N 0 3 327.812 3.161 20 5 EGBDHN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCCC2(CCN(C)CC2)C1 ZINC000377157540 278250538 /nfs/dbraw/zinc/25/05/38/278250538.db2.gz GSTPGZBFIVMVSK-UHFFFAOYSA-N 0 3 331.416 3.110 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000120278139 281261132 /nfs/dbraw/zinc/26/11/32/281261132.db2.gz DIJHSKVZRONYJB-QGZVFWFLSA-N 0 3 341.411 3.082 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000063929216 307356486 /nfs/dbraw/zinc/35/64/86/307356486.db2.gz MFPDQJANQUSVTO-VQHVLOKHSA-N 0 3 343.358 3.447 20 5 EGBDHN C[C@H](NCCc1cc(F)cc2c1OCOC2)c1ccc([N+](=O)[O-])cc1 ZINC000120748114 307510444 /nfs/dbraw/zinc/51/04/44/307510444.db2.gz DLCCKXSETSOCEZ-LBPRGKRZSA-N 0 3 346.358 3.494 20 5 EGBDHN Cc1ccc(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)nc1C ZINC000414161584 309064141 /nfs/dbraw/zinc/06/41/41/309064141.db2.gz FRWAANCTQDLPCF-HOTGVXAUSA-N 0 3 329.404 3.077 20 5 EGBDHN C[C@H](NC[C@H](Cc1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154970662 307804904 /nfs/dbraw/zinc/80/49/04/307804904.db2.gz IYUZAGCLWXHIJI-KXBFYZLASA-N 0 3 327.428 3.418 20 5 EGBDHN CCOC1(CNCc2cc(OC)c(OC)cc2[N+](=O)[O-])CCCC1 ZINC000293015706 308090373 /nfs/dbraw/zinc/09/03/73/308090373.db2.gz QDVVZWVLNKHHSB-UHFFFAOYSA-N 0 3 338.404 3.051 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000293302626 308118443 /nfs/dbraw/zinc/11/84/43/308118443.db2.gz KVFYJJPEQCWKSZ-UHFFFAOYSA-N 0 3 326.396 3.121 20 5 EGBDHN C[C@H](C[C@H](O)c1cccs1)N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294814013 308260053 /nfs/dbraw/zinc/26/00/53/308260053.db2.gz PWSBIIIRRHATLA-ZETOZRRWSA-N 0 3 335.429 3.401 20 5 EGBDHN CC(C)(CO)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000294841818 308262996 /nfs/dbraw/zinc/26/29/96/308262996.db2.gz RFIXSFNCQQAWAD-UHFFFAOYSA-N 0 3 335.429 3.217 20 5 EGBDHN C[C@H](NCc1ccc2c(c1)CCC(=O)N2C)c1ccc([N+](=O)[O-])cc1 ZINC000295602423 308342401 /nfs/dbraw/zinc/34/24/01/308342401.db2.gz CZUXCCKOOOYVRE-ZDUSSCGKSA-N 0 3 339.395 3.355 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CNC(C)(C)c1ccccc1 ZINC000299658837 308683417 /nfs/dbraw/zinc/68/34/17/308683417.db2.gz XGEAFAVNBYOBMN-UHFFFAOYSA-N 0 3 343.383 3.067 20 5 EGBDHN CN(C)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000301297484 308695485 /nfs/dbraw/zinc/69/54/85/308695485.db2.gz YLAYXNBSOPLCST-CQSZACIVSA-N 0 3 338.770 3.497 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] ZINC000324180308 308769004 /nfs/dbraw/zinc/76/90/04/308769004.db2.gz PQKTZUGWUGTDDX-UKRRQHHQSA-N 0 3 328.368 3.394 20 5 EGBDHN O=[N+]([O-])c1cnc(NC[C@H]2CCN(Cc3ccccc3)C2)c(F)c1 ZINC000413260409 309023988 /nfs/dbraw/zinc/02/39/88/309023988.db2.gz FFXQYXLFZWUYEU-CQSZACIVSA-N 0 3 330.363 3.063 20 5 EGBDHN CCc1ccccc1[C@@H](N)CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415419851 309133154 /nfs/dbraw/zinc/13/31/54/309133154.db2.gz RMVNEAMZEVLCRC-INIZCTEOSA-N 0 3 342.399 3.287 20 5 EGBDHN Cc1cnc(CCN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)nc1 ZINC000417311145 309201188 /nfs/dbraw/zinc/20/11/88/309201188.db2.gz NUXNXIREZQAHPR-KRWDZBQOSA-N 0 3 326.400 3.293 20 5 EGBDHN Cc1ccc(CN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c(=O)n1C ZINC000417335036 309202121 /nfs/dbraw/zinc/20/21/21/309202121.db2.gz SECDLLNKMNPDMM-GOSISDBHSA-N 0 3 341.411 3.159 20 5 EGBDHN C[C@H]1C[C@@H](CO)CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000421369131 309321019 /nfs/dbraw/zinc/32/10/19/309321019.db2.gz XWBCWKDRARUVFU-UONOGXRCSA-N 0 3 330.384 3.305 20 5 EGBDHN Cc1cc(CN[C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc(C)n1 ZINC000421853127 309343550 /nfs/dbraw/zinc/34/35/50/309343550.db2.gz IPCUHRXTNLYQBI-CVEARBPZSA-N 0 3 329.404 3.077 20 5 EGBDHN Cc1ccc(CN(C)C)cc1NC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000434031556 309703076 /nfs/dbraw/zinc/70/30/76/309703076.db2.gz NRQBCTNYNQNDSX-UHFFFAOYSA-N 0 3 345.403 3.064 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H](CC(F)(F)F)C(C)C ZINC000445888844 309950964 /nfs/dbraw/zinc/95/09/64/309950964.db2.gz XEORMXDFXQFKHT-ZDUSSCGKSA-N 0 3 347.337 3.408 20 5 EGBDHN CN(C)c1ccccc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587546 309983398 /nfs/dbraw/zinc/98/33/98/309983398.db2.gz ROBZQLYJFLHJRD-NVXWUHKLSA-N 0 3 343.431 3.131 20 5 EGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](CO)c1ccc(F)cc1 ZINC000449380489 310057671 /nfs/dbraw/zinc/05/76/71/310057671.db2.gz NKTUMFSYVFELMQ-GUYCJALGSA-N 0 3 332.375 3.378 20 5 EGBDHN Cc1nc(NC2CCN([C@H](C)c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000450339023 310116490 /nfs/dbraw/zinc/11/64/90/310116490.db2.gz NIJYWUINGWRHAV-CQSZACIVSA-N 0 3 341.415 3.331 20 5 EGBDHN C[C@@H](c1ccccc1)[C@H](O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000450931667 310150506 /nfs/dbraw/zinc/15/05/06/310150506.db2.gz BBRMQHQZCSGNKM-HNAYVOBHSA-N 0 3 328.412 3.234 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451698556 310193109 /nfs/dbraw/zinc/19/31/09/310193109.db2.gz CSZFIBGYGQWYFD-VKJFTORMSA-N 0 3 348.443 3.365 20 5 EGBDHN CCN(C)C(=O)[C@@H](N[C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000453283145 310268981 /nfs/dbraw/zinc/26/89/81/310268981.db2.gz MFGBJZDVNPNCAA-IRXDYDNUSA-N 0 3 333.432 3.065 20 5 EGBDHN CCn1ccnc1[C@H](C)N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453353288 310272575 /nfs/dbraw/zinc/27/25/75/310272575.db2.gz NQCZKFTZSULMJE-XJKSGUPXSA-N 0 3 328.416 3.483 20 5 EGBDHN CC[C@H]1CCCCN1CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454499296 310313124 /nfs/dbraw/zinc/31/31/24/310313124.db2.gz POLPUONARHEYJZ-HOCLYGCPSA-N 0 3 348.447 3.220 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CN(C)C)c(C)c1 ZINC000458312873 310497699 /nfs/dbraw/zinc/49/76/99/310497699.db2.gz IXCYZYNOGZWJJX-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H](C(C)C)C1(CO)CCCC1 ZINC000459518702 310557991 /nfs/dbraw/zinc/55/79/91/310557991.db2.gz CRAZYHAXGLNBNJ-QGZVFWFLSA-N 0 3 336.432 3.270 20 5 EGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)CC(F)(F)F ZINC000468053167 310681727 /nfs/dbraw/zinc/68/17/27/310681727.db2.gz WZTYZWSJPRQLEN-NXEZZACHSA-N 0 3 333.310 3.242 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000481169878 310907477 /nfs/dbraw/zinc/90/74/77/310907477.db2.gz JLOJUONXMMWMLO-NVXWUHKLSA-N 0 3 328.412 3.405 20 5 EGBDHN CC(C)[C@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCN1C ZINC000488024016 311048155 /nfs/dbraw/zinc/04/81/55/311048155.db2.gz JOHXTEKUIBNCHL-QGZVFWFLSA-N 0 3 344.415 3.022 20 5 EGBDHN C[C@H]1C[C@@H]1N1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488715992 311076000 /nfs/dbraw/zinc/07/60/00/311076000.db2.gz QEIXLDLMAJJCRZ-ZQIUZPCESA-N 0 3 340.427 3.310 20 5 EGBDHN CN1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1 ZINC000488776003 311079729 /nfs/dbraw/zinc/07/97/29/311079729.db2.gz MXPXLDXMOOUCNA-LJQANCHMSA-N 0 3 338.411 3.189 20 5 EGBDHN COC(=O)[C@]1(C)CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000504589604 312008542 /nfs/dbraw/zinc/00/85/42/312008542.db2.gz NARXYNUACFDLPG-HMRLOROQSA-N 0 3 332.400 3.129 20 5 EGBDHN CCOc1ccc([C@H](C)NCCN2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000504893847 312011990 /nfs/dbraw/zinc/01/19/90/312011990.db2.gz INNFGFRQBRPACD-GJZGRUSLSA-N 0 3 335.448 3.376 20 5 EGBDHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000511522459 312162507 /nfs/dbraw/zinc/16/25/07/312162507.db2.gz LTOAMUVJYZKXTC-DOTOQJQBSA-N 0 3 347.459 3.420 20 5 EGBDHN Cc1ccc(C[C@@H](CO)N[C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1C ZINC000514799734 312246486 /nfs/dbraw/zinc/24/64/86/312246486.db2.gz XRUKPYTXYOPADS-QFBILLFUSA-N 0 3 340.423 3.392 20 5 EGBDHN C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1[C@H](C)CC[C@H]1C ZINC000515430655 312282653 /nfs/dbraw/zinc/28/26/53/312282653.db2.gz GGJFLAQTCXWUNY-RBSFLKMASA-N 0 3 345.443 3.347 20 5 EGBDHN Cc1ccccc1CCCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000531241292 313646380 /nfs/dbraw/zinc/64/63/80/313646380.db2.gz ORNAAHDDECXGGZ-UHFFFAOYSA-N 0 3 340.427 3.053 20 5 EGBDHN O=C(CN1CCCC12CCCCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000536239992 314101767 /nfs/dbraw/zinc/10/17/67/314101767.db2.gz PGHNEKCELMJMBX-UHFFFAOYSA-N 0 3 343.427 3.283 20 5 EGBDHN C[C@H](O)CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000536649128 314134195 /nfs/dbraw/zinc/13/41/95/314134195.db2.gz GAQVOVMPAVOBKV-UBAGTECSSA-N 0 3 326.396 3.491 20 5 EGBDHN COc1ccc([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000536870051 314151637 /nfs/dbraw/zinc/15/16/37/314151637.db2.gz MOHVYRJURUNXRM-LBPRGKRZSA-N 0 3 334.347 3.472 20 5 EGBDHN CC(C)(N[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)c1cccs1 ZINC000544465631 314697380 /nfs/dbraw/zinc/69/73/80/314697380.db2.gz WJUBJIKMSMIVLD-AWEZNQCLSA-N 0 3 345.424 3.287 20 5 EGBDHN C[C@H](C1CCCCC1)N(C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000548930856 315063867 /nfs/dbraw/zinc/06/38/67/315063867.db2.gz KBGMWODOJOOJNX-CQSZACIVSA-N 0 3 345.443 3.385 20 5 EGBDHN CCOCC(C)(C)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000554725139 315345544 /nfs/dbraw/zinc/34/55/44/315345544.db2.gz YYEMRPQGDVFFHL-UHFFFAOYSA-N 0 3 332.347 3.349 20 5 EGBDHN O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2NCc2cc(F)ccc2F)n1 ZINC000564813368 316210460 /nfs/dbraw/zinc/21/04/60/316210460.db2.gz HXZKDLUCSRBLSC-GJZGRUSLSA-N 0 3 336.342 3.343 20 5 EGBDHN Cc1ccnc(N2CCN(c3ccnc4ccccc43)CC2)c1[N+](=O)[O-] ZINC000571408979 317195857 /nfs/dbraw/zinc/19/58/57/317195857.db2.gz FHQOXPULISVVKF-UHFFFAOYSA-N 0 3 349.394 3.173 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](CC(C)C)N(C)C ZINC000179566377 323393112 /nfs/dbraw/zinc/39/31/12/323393112.db2.gz XWPGILHQOCXBLL-HNNXBMFYSA-N 0 3 335.448 3.226 20 5 EGBDHN Cc1cccc([C@H](C)NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1C ZINC000183722371 323629233 /nfs/dbraw/zinc/62/92/33/323629233.db2.gz RSLXGSRZHOAWRH-DOTOQJQBSA-N 0 3 344.411 3.302 20 5 EGBDHN Cc1ccccc1C(C)(C)NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000575766032 324477394 /nfs/dbraw/zinc/47/73/94/324477394.db2.gz KPLCGZMNDIVSKE-UHFFFAOYSA-N 0 3 341.411 3.391 20 5 EGBDHN Cc1ccc([C@@H](CNCc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000237885596 455228947 /nfs/dbraw/zinc/22/89/47/455228947.db2.gz YUDBZPMVRAABTI-QGZVFWFLSA-N 0 3 329.400 3.423 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCn2cccn2)s1 ZINC000237956019 455237667 /nfs/dbraw/zinc/23/76/67/455237667.db2.gz VOXUMNJDKBZHLF-UHFFFAOYSA-N 0 3 328.397 3.310 20 5 EGBDHN O=C1NCCCC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000238087910 455252846 /nfs/dbraw/zinc/25/28/46/455252846.db2.gz GLXSQSPNYUBKPI-AWEZNQCLSA-N 0 3 345.424 3.082 20 5 EGBDHN CCn1cnnc1[C@H]1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245531744 455323213 /nfs/dbraw/zinc/32/32/13/455323213.db2.gz UBULCYMRAIZQOH-CABCVRRESA-N 0 3 343.431 3.455 20 5 EGBDHN O=C(CN(C1CC1)C1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000052664640 453841846 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CC(C)N1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000075961105 453942280 /nfs/dbraw/zinc/94/22/80/453942280.db2.gz GJGRKJKMGUGWAW-UHFFFAOYSA-N 0 3 340.811 3.196 20 5 EGBDHN O=[N+]([O-])c1ccc(CN(CCc2ccccc2)[C@@H]2CCOC2)cc1 ZINC000084133299 453971619 /nfs/dbraw/zinc/97/16/19/453971619.db2.gz FQHILISBHUORGN-LJQANCHMSA-N 0 3 326.396 3.428 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@@H]1C1CCCC1 ZINC000055928066 454026195 /nfs/dbraw/zinc/02/61/95/454026195.db2.gz CKEWKKQUTHKBAO-QGZVFWFLSA-N 0 3 331.416 3.496 20 5 EGBDHN CCCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCCCC1 ZINC000060495538 454294958 /nfs/dbraw/zinc/29/49/58/454294958.db2.gz GJWVLYYXPKDGPG-UHFFFAOYSA-N 0 3 333.432 3.486 20 5 EGBDHN Cc1cnc(N2CC[C@H](N(C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078670430 454295875 /nfs/dbraw/zinc/29/58/75/454295875.db2.gz RFIZGVITTSYMLS-INIZCTEOSA-N 0 3 326.400 3.009 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC000182100457 455436297 /nfs/dbraw/zinc/43/62/97/455436297.db2.gz JBZKWPUHGNFTOJ-OAHLLOKOSA-N 0 3 341.411 3.154 20 5 EGBDHN Cc1ccc(C)c([C@@H]2CCCN2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000090552446 454321330 /nfs/dbraw/zinc/32/13/30/454321330.db2.gz HESUYMZYGFPLFH-SFHVURJKSA-N 0 3 341.411 3.210 20 5 EGBDHN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(CC2CCCCC2)CC1 ZINC000064130747 454468182 /nfs/dbraw/zinc/46/81/82/454468182.db2.gz YBXWJIQQFFINAF-UHFFFAOYSA-N 0 3 346.431 3.325 20 5 EGBDHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000065140921 454532467 /nfs/dbraw/zinc/53/24/67/454532467.db2.gz ZJSQUUKVRZLPMN-GDBMZVCRSA-N 0 3 339.395 3.160 20 5 EGBDHN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000080230847 454552863 /nfs/dbraw/zinc/55/28/63/454552863.db2.gz WNAAKHMDPUUQCH-GOEBONIOSA-N 0 3 326.400 3.455 20 5 EGBDHN COCc1cc([N+](=O)[O-])ccc1NCCN(C)Cc1ccccc1 ZINC000080583140 454602427 /nfs/dbraw/zinc/60/24/27/454602427.db2.gz BXBGHEIITMHZLL-UHFFFAOYSA-N 0 3 329.400 3.285 20 5 EGBDHN CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000065746394 454618695 /nfs/dbraw/zinc/61/86/95/454618695.db2.gz RLRQYPQRQBBZKI-UHFFFAOYSA-N 0 3 337.395 3.070 20 5 EGBDHN Cc1cc(NC[C@H](C)N2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000074739733 454626998 /nfs/dbraw/zinc/62/69/98/454626998.db2.gz AKYJMHZQWQKTBQ-AWEZNQCLSA-N 0 3 326.400 3.157 20 5 EGBDHN Cc1cc(N2CC[C@H](N(C)Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000074767823 454632474 /nfs/dbraw/zinc/63/24/74/454632474.db2.gz ZJPUHTBWVROQDG-INIZCTEOSA-N 0 3 326.400 3.009 20 5 EGBDHN COc1cc(CN[C@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000105437349 454639032 /nfs/dbraw/zinc/63/90/32/454639032.db2.gz VTJMSYUYXWYWJF-WPRPVWTQSA-N 0 3 334.294 3.043 20 5 EGBDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H](Cc2nccn2C)C1 ZINC000123832794 454680178 /nfs/dbraw/zinc/68/01/78/454680178.db2.gz BXOAWVKUPJIYSO-LSDHHAIUSA-N 0 3 328.416 3.344 20 5 EGBDHN COCCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[C@H](C)C1 ZINC000616873172 460650912 /nfs/dbraw/zinc/65/09/12/460650912.db2.gz WUDXPUQMMPYHKC-STQMWFEESA-N 0 3 333.388 3.373 20 5 EGBDHN Cc1nccn1CCCN(C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000136296233 454733690 /nfs/dbraw/zinc/73/36/90/454733690.db2.gz FMLFZAPRPSZCPF-UHFFFAOYSA-N 0 3 346.431 3.409 20 5 EGBDHN C[C@H](O)[C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000136827880 454757965 /nfs/dbraw/zinc/75/79/65/454757965.db2.gz XIZVRPSGGZYCNS-UONOGXRCSA-N 0 3 330.384 3.448 20 5 EGBDHN C[C@@H](O)[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000136845030 454758631 /nfs/dbraw/zinc/75/86/31/454758631.db2.gz IZVBJMLNHMWISC-HIFRSBDPSA-N 0 3 330.384 3.448 20 5 EGBDHN CCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccn1 ZINC000125312075 454813244 /nfs/dbraw/zinc/81/32/44/454813244.db2.gz WHTZPZWNRYLLPZ-UHFFFAOYSA-N 0 3 342.399 3.149 20 5 EGBDHN Cc1cc(NC(=O)N2CCN(C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000153632742 454814690 /nfs/dbraw/zinc/81/46/90/454814690.db2.gz YIWAJPZRSNUMJG-UHFFFAOYSA-N 0 3 346.431 3.385 20 5 EGBDHN C[C@@H]1[C@H](c2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000177560164 454878020 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Cc1c([C@H](C)NCCC(=O)NC2CCCCC2)cccc1[N+](=O)[O-] ZINC000128704354 455078392 /nfs/dbraw/zinc/07/83/92/455078392.db2.gz JTQHWUBRZUKHSY-AWEZNQCLSA-N 0 3 333.432 3.393 20 5 EGBDHN CN(Cc1ccccc1)C[C@@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000128861700 455088290 /nfs/dbraw/zinc/08/82/90/455088290.db2.gz NYAWVTJYXGCUSP-GOSISDBHSA-N 0 3 346.452 3.321 20 5 EGBDHN O=[N+]([O-])c1cnc(NCC2CCN(c3ccncc3)CC2)c(Cl)c1 ZINC000180045787 455121784 /nfs/dbraw/zinc/12/17/84/455121784.db2.gz ZGXJFQIVOONWDA-UHFFFAOYSA-N 0 3 347.806 3.367 20 5 EGBDHN CO[C@]1(C)C[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1(C)C ZINC000237272222 455167030 /nfs/dbraw/zinc/16/70/30/455167030.db2.gz POWJQWSZFVUCQD-XJKSGUPXSA-N 0 3 344.358 3.489 20 5 EGBDHN C[C@@H](NCCOc1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000180437313 455170409 /nfs/dbraw/zinc/17/04/09/455170409.db2.gz FTVJISZSJOJLQC-GFCCVEGCSA-N 0 3 331.328 3.233 20 5 EGBDHN CO[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1C ZINC000189290963 455170648 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344.411 3.038 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@@H](O)c1ccccc1F)CCC2 ZINC000192711781 455675984 /nfs/dbraw/zinc/67/59/84/455675984.db2.gz MAMOEWVSDQNUAG-QZTJIDSGSA-N 0 3 330.359 3.435 20 5 EGBDHN COc1ccc([C@@H](CNc2ccccc2[N+](=O)[O-])N(C)C)cc1OC ZINC000192905897 455716132 /nfs/dbraw/zinc/71/61/32/455716132.db2.gz LLJKXJKNESDAIC-MRXNPFEDSA-N 0 3 345.399 3.327 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000192952704 455725069 /nfs/dbraw/zinc/72/50/69/455725069.db2.gz CAFWYYLJPAWHAX-MRXNPFEDSA-N 0 3 326.400 3.232 20 5 EGBDHN Cc1ccnc(NC[C@@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192956650 455726018 /nfs/dbraw/zinc/72/60/18/455726018.db2.gz NOVUWBIVRAVXQG-INIZCTEOSA-N 0 3 326.400 3.232 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)c1 ZINC000271991736 455814915 /nfs/dbraw/zinc/81/49/15/455814915.db2.gz GMQSPUNTQPKQTD-OAHLLOKOSA-N 0 3 341.411 3.154 20 5 EGBDHN CC(C)CSCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000270083114 455873558 /nfs/dbraw/zinc/87/35/58/455873558.db2.gz JWDNDFFNEUYZOV-UHFFFAOYSA-N 0 3 348.472 3.474 20 5 EGBDHN Cc1ccc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000187180036 455877010 /nfs/dbraw/zinc/87/70/10/455877010.db2.gz CLDZPFTUYNKENE-KSSFIOAISA-N 0 3 341.411 3.324 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000296262776 455895135 /nfs/dbraw/zinc/89/51/35/455895135.db2.gz OEGOIOCSLSKWGO-DJIMGWMZSA-N 0 3 334.416 3.285 20 5 EGBDHN CC(C)c1ccc(CN2CCNC[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000262125261 456000942 /nfs/dbraw/zinc/00/09/42/456000942.db2.gz XPIZQVUQGJRCFK-IBGZPJMESA-N 0 3 340.427 3.260 20 5 EGBDHN CCOc1cc(CN2C[C@@H]3CCCCN3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000332496235 456084340 /nfs/dbraw/zinc/08/43/40/456084340.db2.gz BWEIEWXFWHZDJK-HOCLYGCPSA-N 0 3 333.432 3.052 20 5 EGBDHN CCOc1ccc([C@H](C)NCCN(C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000271072866 456117973 /nfs/dbraw/zinc/11/79/73/456117973.db2.gz FTKDMLWMRDTLOZ-NSHDSACASA-N 0 3 349.353 3.138 20 5 EGBDHN O=C(CN1CCC[C@H]2CCCC[C@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000230115483 456132186 /nfs/dbraw/zinc/13/21/86/456132186.db2.gz QPSBPVWORKUNRA-RHSMWYFYSA-N 0 3 343.427 3.139 20 5 EGBDHN C[C@@H]1CN(C)CC[C@@H]1N(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000301519522 456136546 /nfs/dbraw/zinc/13/65/46/456136546.db2.gz FBHYDMJICHKFHW-PWSUYJOCSA-N 0 3 342.237 3.134 20 5 EGBDHN C[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000301563185 456148264 /nfs/dbraw/zinc/14/82/64/456148264.db2.gz VJSYADNDOLDQGS-HOCLYGCPSA-N 0 3 326.400 3.455 20 5 EGBDHN Cc1cccc([C@@H]2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000273039716 456156723 /nfs/dbraw/zinc/15/67/23/456156723.db2.gz DQIBNGPCXBVSMS-IEBWSBKVSA-N 0 3 326.396 3.426 20 5 EGBDHN Cc1nc(NC[C@H](C)N2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301618697 456163619 /nfs/dbraw/zinc/16/36/19/456163619.db2.gz DBADYQPMTFYOQW-ZDUSSCGKSA-N 0 3 326.400 3.157 20 5 EGBDHN Cc1c(NC(=O)CCN2CCC(F)(F)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000289931322 456185947 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CC(=O)NCC[C@@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000347666310 456290908 /nfs/dbraw/zinc/29/09/08/456290908.db2.gz RYCNZZSXBVMJIH-HOCLYGCPSA-N 0 3 333.432 3.202 20 5 EGBDHN Cc1cc(N[C@H]2CCN(Cc3ccccc3)[C@H]2C)ncc1[N+](=O)[O-] ZINC000336696974 456308837 /nfs/dbraw/zinc/30/88/37/456308837.db2.gz JDSAJIGENOGJKT-HOCLYGCPSA-N 0 3 326.400 3.373 20 5 EGBDHN Cc1nc(N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000302188784 456311076 /nfs/dbraw/zinc/31/10/76/456311076.db2.gz XLLGSAQPXBZJTI-CZUORRHYSA-N 0 3 326.400 3.231 20 5 EGBDHN Cc1nc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000302188785 456311196 /nfs/dbraw/zinc/31/11/96/456311196.db2.gz XLLGSAQPXBZJTI-XJKSGUPXSA-N 0 3 326.400 3.231 20 5 EGBDHN CN(C[C@@H]1CCN(C)[C@@H]1c1cccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000343015481 456357410 /nfs/dbraw/zinc/35/74/10/456357410.db2.gz MPDOHQZBEFHGSR-WMLDXEAASA-N 0 3 344.390 3.258 20 5 EGBDHN CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000347829761 456390200 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COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCc1cn2ccccc2n1 ZINC000595007255 459212358 /nfs/dbraw/zinc/21/23/58/459212358.db2.gz LGSBKKIVXOCMFX-ZDUSSCGKSA-N 0 3 340.383 3.144 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000481046868 459230025 /nfs/dbraw/zinc/23/00/25/459230025.db2.gz ACJZQEUOPKBACQ-HNNXBMFYSA-N 0 3 348.447 3.173 20 5 EGBDHN C[C@H](c1ccccc1)[C@@H](O)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595109947 459248146 /nfs/dbraw/zinc/24/81/46/459248146.db2.gz XKPOHCQUGQGMDF-XVSDVWIESA-N 0 3 326.396 3.336 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CC[C@@H](C4CCC4)C3)o2)cc1 ZINC000591062220 459302761 /nfs/dbraw/zinc/30/27/61/459302761.db2.gz YCNBGNIQSVLZTK-CQSZACIVSA-N 0 3 328.372 3.267 20 5 EGBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN(C2CC2)C2(CO)CCC2)c1 ZINC000595532821 459336768 /nfs/dbraw/zinc/33/67/68/459336768.db2.gz DADVCLOARFLZDD-UHFFFAOYSA-N 0 3 344.333 3.493 20 5 EGBDHN CCC1(CC)CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000485907591 459478829 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340.427 3.397 20 5 EGBDHN O=C(CCN[C@H]1CCCc2occc21)Nc1ccccc1[N+](=O)[O-] ZINC000562986826 459687530 /nfs/dbraw/zinc/68/75/30/459687530.db2.gz SBJPHTOONBPYCA-ZDUSSCGKSA-N 0 3 329.356 3.184 20 5 EGBDHN CCCN(C(=O)[C@H](CC)Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C)C1 ZINC000592829554 459700472 /nfs/dbraw/zinc/70/04/72/459700472.db2.gz QNPIIWWLSMLFLN-AEFFLSMTSA-N 0 3 347.459 3.106 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1ccccc1Cn1cncn1 ZINC000573695458 459720105 /nfs/dbraw/zinc/72/01/05/459720105.db2.gz ASMAJTWZNCYPQK-GOSISDBHSA-N 0 3 349.394 3.012 20 5 EGBDHN O=[N+]([O-])c1cc(CN2CCC3(CC3(F)F)CC2)c2c(c1)COCO2 ZINC000593076522 459765115 /nfs/dbraw/zinc/76/51/15/459765115.db2.gz KLQJJFUWPXDTIW-UHFFFAOYSA-N 0 3 340.326 3.083 20 5 EGBDHN COc1cc(OC)c(CNCCc2ccccc2[N+](=O)[O-])cc1F ZINC000593604337 459930704 /nfs/dbraw/zinc/93/07/04/459930704.db2.gz QXEUDLADFCXGLS-UHFFFAOYSA-N 0 3 334.347 3.083 20 5 EGBDHN COC(=O)[C@@H]1CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593697542 459955914 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EGBDHN COC1CCC(NCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602691683 460069495 /nfs/dbraw/zinc/06/94/95/460069495.db2.gz PZCPUVOTZWGBMR-UHFFFAOYSA-N 0 3 349.250 3.466 20 5 EGBDHN Cc1c(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594056439 460077787 /nfs/dbraw/zinc/07/77/87/460077787.db2.gz CLPYKNLHVTVQJP-HOCLYGCPSA-N 0 3 332.404 3.042 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000594075435 460090109 /nfs/dbraw/zinc/09/01/09/460090109.db2.gz XAAHTRKDOKCIAL-ZBFHGGJFSA-N 0 3 346.431 3.350 20 5 EGBDHN Cc1ncc([C@@H](C)NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602736967 460097881 /nfs/dbraw/zinc/09/78/81/460097881.db2.gz SPIOSNCLTZSZBS-LLVKDONJSA-N 0 3 347.444 3.074 20 5 EGBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CC[C@@H]3CCC[C@@H]3C1)OCCO2 ZINC000610271366 460100947 /nfs/dbraw/zinc/10/09/47/460100947.db2.gz KWWBGZUZHXVJPJ-GZBFAFLISA-N 0 3 332.400 3.424 20 5 EGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597925531 460114029 /nfs/dbraw/zinc/11/40/29/460114029.db2.gz WQSHUZDXJUSUAI-CVEARBPZSA-N 0 3 347.459 3.153 20 5 EGBDHN COc1ccc(CNCC(C)(C)c2ccc(C)cn2)cc1[N+](=O)[O-] ZINC000598990923 460119125 /nfs/dbraw/zinc/11/91/25/460119125.db2.gz KZGHEUYJMREJOZ-UHFFFAOYSA-N 0 3 329.400 3.374 20 5 EGBDHN CCN(CCn1c(C)ncc1[N+](=O)[O-])Cc1c[nH]c2ccccc12 ZINC000602813964 460141883 /nfs/dbraw/zinc/14/18/83/460141883.db2.gz APKJHLKHIKBQLR-UHFFFAOYSA-N 0 3 327.388 3.103 20 5 EGBDHN CSc1cccc(C(=O)N[C@H]2CCCN3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594197466 460145751 /nfs/dbraw/zinc/14/57/51/460145751.db2.gz OJZHCFFCHMSDMX-KBPBESRZSA-N 0 3 349.456 3.063 20 5 EGBDHN CCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCOC1 ZINC000611256584 460319262 /nfs/dbraw/zinc/31/92/62/460319262.db2.gz ICZIELAUEVJDSK-LLVKDONJSA-N 0 3 330.331 3.055 20 5 EGBDHN O=[N+]([O-])c1cccc(CNc2ccc(CN3CCC(O)CC3)cc2)c1 ZINC000611287951 460330651 /nfs/dbraw/zinc/33/06/51/460330651.db2.gz WZKPZPSAOYTJEQ-UHFFFAOYSA-N 0 3 341.411 3.164 20 5 EGBDHN Cc1cc(N2CCC[C@H](n3ccnc3)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000611925886 460490844 /nfs/dbraw/zinc/49/08/44/460490844.db2.gz RUYWJLNOXSLXLC-HNNXBMFYSA-N 0 3 337.383 3.489 20 5 EGBDHN Cc1c(Cc2nc(C3C[C@H]4CC[C@@H](C3)N4C)no2)cccc1[N+](=O)[O-] ZINC000612955311 460782564 /nfs/dbraw/zinc/78/25/64/460782564.db2.gz XSUPANCPVXAPAO-GOOCMWNKSA-N 0 3 342.399 3.217 20 5 EGBDHN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000187237213 533779935 /nfs/dbraw/zinc/77/99/35/533779935.db2.gz LZLADYVSFGIDPK-XHDPSFHLSA-N 0 3 333.413 3.078 20 5 EGBDHN Cc1ccc([C@H](C)NC[C@H](O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC000181807133 534226654 /nfs/dbraw/zinc/22/66/54/534226654.db2.gz WWDRYSOZLGAQKV-ZFWWWQNUSA-N 0 3 348.374 3.133 20 5 EGBDHN CCC(CC)[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000480524273 517540124 /nfs/dbraw/zinc/54/01/24/517540124.db2.gz JRAAEPXHBFPJHW-BEFAXECRSA-N 0 3 349.475 3.382 20 5 EGBDHN CN1CC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000729682585 574878524 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COc1ccc([C@@H](CN(C)C)NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC000873124259 1297281541 /nfs/dbraw/zinc/28/15/41/1297281541.db2.gz RDVGSONNQMIENH-GOSISDBHSA-N 0 3 343.427 3.304 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H]2CCCOc3ccc(F)cc32)c1 ZINC000749684340 1299256046 /nfs/dbraw/zinc/25/60/46/1299256046.db2.gz BLTUXULFOBIFLM-IAGOWNOFSA-N 0 3 346.358 3.271 20 5 EGBDHN COCCN(Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000761290905 1301436578 /nfs/dbraw/zinc/43/65/78/1301436578.db2.gz SMXMQLOVPJFDFA-UHFFFAOYSA-N 0 3 332.404 3.101 20 5 EGBDHN CC[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1OC ZINC000765850273 1302340973 /nfs/dbraw/zinc/34/09/73/1302340973.db2.gz WROSCSRRENJMSE-IRXDYDNUSA-N 0 3 330.384 3.378 20 5 EGBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775927401 1304061882 /nfs/dbraw/zinc/06/18/82/1304061882.db2.gz NJEWHYRHWDNMSZ-MRXNPFEDSA-N 0 3 349.431 3.330 20 5 EGBDHN O=[N+]([O-])c1ccnn1CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000776773825 1304197663 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COc1cccc(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845872227 1321747229 /nfs/dbraw/zinc/74/72/29/1321747229.db2.gz FCOCEBSXMNCMJP-SGTLLEGYSA-N 0 3 347.342 3.327 20 5 EGBDHN CC([C@@H](OC(=O)c1cc(C(C)(C)C)[nH]n1)c1ccccc1F)[N+](=O)[O-] ZINC000845873546 1321748044 /nfs/dbraw/zinc/74/80/44/1321748044.db2.gz DQSXKQBXAJODAQ-MEBBXXQBSA-N 0 3 349.362 3.410 20 5 EGBDHN Cc1c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cnn1C(C)C ZINC000845875527 1321748459 /nfs/dbraw/zinc/74/84/59/1321748459.db2.gz LOLHXNVMADXCKG-WBMJQRKESA-N 0 3 349.362 3.475 20 5 EGBDHN CC([C@@H](OC(=O)CCCc1ccccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845878223 1321749661 /nfs/dbraw/zinc/74/96/61/1321749661.db2.gz RTLCDPFLDRWGLE-FZKQIMNGSA-N 0 3 346.358 3.493 20 5 EGBDHN CC[C@H]1CN(C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000846987349 1321831149 /nfs/dbraw/zinc/83/11/49/1321831149.db2.gz FPYXVMDHFXMKTH-LBPRGKRZSA-N 0 3 339.823 3.113 20 5 EGBDHN C[S@](=O)[C@@H]1CCC[C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000850357054 1322233824 /nfs/dbraw/zinc/23/38/24/1322233824.db2.gz XCFWDFDLZKHCRQ-QRQYBIJMSA-N 0 3 330.837 3.028 20 5 EGBDHN O=[N+]([O-])c1cn(CN(CC2CC2)CC2CCC2)nc1-c1ccccn1 ZINC000853509643 1325108640 /nfs/dbraw/zinc/10/86/40/1325108640.db2.gz BYADBFBCDRGIFA-UHFFFAOYSA-N 0 3 341.415 3.323 20 5 EGBDHN C[C@@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)[C@H]2CCCC[C@H]12 ZINC000853506524 1325109571 /nfs/dbraw/zinc/10/95/71/1325109571.db2.gz NMRYBOAMJBGJJX-FMKPAKJESA-N 0 3 341.415 3.321 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001323283387 1387322959 /nfs/dbraw/zinc/32/29/59/1387322959.db2.gz PVXXMGDNJFADKA-UHFFFAOYSA-N 0 3 340.383 3.204 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@H]4CCCC[C@@H]4C3)n2)cc1 ZINC001116018007 1370820552 /nfs/dbraw/zinc/82/05/52/1370820552.db2.gz SWYKMCQDAJFJNK-GDBMZVCRSA-N 0 3 341.415 3.323 20 5 EGBDHN CC(C)(C)N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC001116139418 1370845958 /nfs/dbraw/zinc/84/59/58/1370845958.db2.gz QWPPIDPYSCSBQZ-UHFFFAOYSA-N 0 3 329.347 3.117 20 5 EGBDHN COC(=O)[C@H]1CCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001116771355 1370971059 /nfs/dbraw/zinc/97/10/59/1370971059.db2.gz PXFNCCWAVVKTPJ-JKSUJKDBSA-N 0 3 344.367 3.286 20 5 EGBDHN Cc1ccc(CN2CCCN(c3c(C)cncc3[N+](=O)[O-])CC2)cc1 ZINC001117279392 1371032999 /nfs/dbraw/zinc/03/29/99/1371032999.db2.gz DHEYBZPDIUWPRY-UHFFFAOYSA-N 0 3 340.427 3.319 20 5 EGBDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1Oc1ncccc1[N+](=O)[O-] ZINC001225589832 1375127265 /nfs/dbraw/zinc/12/72/65/1375127265.db2.gz FRAOKBPTNJVJSK-WMLDXEAASA-N 0 3 327.384 3.279 20 5 EGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Oc1ncccc1[N+](=O)[O-] ZINC001225595959 1375129737 /nfs/dbraw/zinc/12/97/37/1375129737.db2.gz NQFGBCFJBRGWCH-WMLDXEAASA-N 0 3 327.384 3.279 20 5 EGBDHN Cc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC001133244647 1375864992 /nfs/dbraw/zinc/86/49/92/1375864992.db2.gz KKGYVZTVMQSCGT-UHFFFAOYSA-N 0 3 347.802 3.076 20 5 EGBDHN CCN1CCC[C@H](Oc2cc(N3CCCCC3)ccc2[N+](=O)[O-])C1 ZINC001234368811 1376821234 /nfs/dbraw/zinc/82/12/34/1376821234.db2.gz OJIHMMCRLSQLJN-INIZCTEOSA-N 0 3 333.432 3.448 20 5 EGBDHN c1cnc2c(c1)ccc1ccc(-c3noc([C@@H]4C[C@H]5C[C@H]5N4)n3)nc12 ZINC001247621703 1377062691 /nfs/dbraw/zinc/06/26/91/1377062691.db2.gz YFWBVROTVYQWQC-YUELXQCFSA-N 0 3 329.363 3.256 20 5 EGBDHN Cc1oc(C(C)C)cc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001146339085 1378820639 /nfs/dbraw/zinc/82/06/39/1378820639.db2.gz TUKFITFZJJKXPE-UHFFFAOYSA-N 0 3 345.399 3.139 20 5 EGBDHN CN1CCN(c2ncc([N+](=O)[O-])c3ccccc32)C2(CCCC2)C1 ZINC001158408885 1381234680 /nfs/dbraw/zinc/23/46/80/1381234680.db2.gz PQVMVQMWEKZWDD-UHFFFAOYSA-N 0 3 326.400 3.208 20 5 EGBDHN NCc1ccc2c(n1)N(c1ncc([N+](=O)[O-])c3ccccc31)CCC2 ZINC001158649046 1381335895 /nfs/dbraw/zinc/33/58/95/1381335895.db2.gz IUBHYUCRVMRCBU-UHFFFAOYSA-N 0 3 335.367 3.081 20 5 EGBDHN CN1CCN(CCCNc2nc3ccccc3c3ccccc32)CC1 ZINC001161712094 1382487707 /nfs/dbraw/zinc/48/77/07/1382487707.db2.gz YTHZUVVEKIKKTH-UHFFFAOYSA-N 0 3 334.467 3.437 20 5 EGBDHN NCc1nn(-c2cc(Cl)ccc2/C=C/[N+](=O)[O-])c2ccccc12 ZINC001167697873 1383714526 /nfs/dbraw/zinc/71/45/26/1383714526.db2.gz GNQXARKRKDUQBL-BQYQJAHWSA-N 0 3 328.759 3.385 20 5 EGBDHN O=[N+]([O-])C[C@H]1CC[C@@H](NCc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001168968379 1384073624 /nfs/dbraw/zinc/07/36/24/1384073624.db2.gz YILJRGVPBSEADO-WCBMZHEXSA-N 0 3 337.729 3.289 20 5 EGBDHN COc1ccc(C[C@H](C)NC2(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC001170307816 1384287370 /nfs/dbraw/zinc/28/73/70/1384287370.db2.gz IGGCXDVSELEOGR-ZDUSSCGKSA-N 0 3 327.384 3.208 20 5 EGBDHN COc1ccc(C[C@@H](C)N2CCc3cc(O)ccc3C2)c([N+](=O)[O-])c1 ZINC001170336593 1384294826 /nfs/dbraw/zinc/29/48/26/1384294826.db2.gz ZXDPWXHFTRZUHV-CYBMUJFWSA-N 0 3 342.395 3.298 20 5 EGBDHN O=C(CN[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1ccccc1F ZINC001172901224 1384874175 /nfs/dbraw/zinc/87/41/75/1384874175.db2.gz LJHIAEIGMGWBJA-HNNXBMFYSA-N 0 3 342.370 3.454 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)CC[C@H](NCc1ncc(F)cc1F)CC2 ZINC001172908895 1384875839 /nfs/dbraw/zinc/87/58/39/1384875839.db2.gz BFKNPZCIPKJCTH-CQSZACIVSA-N 0 3 333.338 3.305 20 5 EGBDHN CC[C@H](C)[C@@H](C(=O)OC)N(C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172921870 1384879976 /nfs/dbraw/zinc/87/99/76/1384879976.db2.gz VCUNOPCUHXRHME-XCRHUMRWSA-N 0 3 348.443 3.362 20 5 EGBDHN CCCCC(=O)[C@H](C)N[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173178129 1384931906 /nfs/dbraw/zinc/93/19/06/1384931906.db2.gz AHGFEKPCNKJLKL-NEPJUHHUSA-N 0 3 340.395 3.411 20 5 EGBDHN COC(=O)c1ccccc1CN[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214790 1384937138 /nfs/dbraw/zinc/93/71/38/1384937138.db2.gz QEQWLOZZJSMBCR-ZDUSSCGKSA-N 0 3 328.368 3.102 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001173223108 1384939151 /nfs/dbraw/zinc/93/91/51/1384939151.db2.gz XVUBMVIIVFDXHM-NILFDRSVSA-N 0 3 346.349 3.161 20 5 EGBDHN Cc1nc([C@H]2CCCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC001173223131 1384939338 /nfs/dbraw/zinc/93/93/38/1384939338.db2.gz YJMYWYAANNVIQY-DOMZBBRYSA-N 0 3 330.388 3.097 20 5 EGBDHN Cc1nc(C2CCN([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC001173226576 1384939838 /nfs/dbraw/zinc/93/98/38/1384939838.db2.gz KMEZLLQYMWAEKN-LBPRGKRZSA-N 0 3 330.388 3.097 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2cccc(O)c2)CC1 ZINC001173230249 1384940720 /nfs/dbraw/zinc/94/07/20/1384940720.db2.gz DJBNBRJZUGAMTL-HNNXBMFYSA-N 0 3 341.411 3.054 20 5 EGBDHN Cc1c([C@@H](C)NCCC(=O)N2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC001320668754 1386685750 /nfs/dbraw/zinc/68/57/50/1386685750.db2.gz CUIRJZOXCPGDOM-UKRRQHHQSA-N 0 3 333.432 3.202 20 5 EGBDHN CN(CC(=O)Nc1cc2nc3ccccc3nc2cc1N)C1CCCC1 ZINC001180628861 1386851056 /nfs/dbraw/zinc/85/10/56/1386851056.db2.gz HHIVZEWHWOHLRA-UHFFFAOYSA-N 0 3 349.438 3.178 20 5 EGBDHN C[C@@H](NCc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001334056862 1390469000 /nfs/dbraw/zinc/46/90/00/1390469000.db2.gz KVFDOCAWOPAFDZ-MNOVXSKESA-N 0 3 343.221 3.262 20 5 EGBDHN C[C@@H](NCc1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCCOC1 ZINC001334772340 1390585492 /nfs/dbraw/zinc/58/54/92/1390585492.db2.gz NEGWDMRWZQLVGQ-GHMZBOCLSA-N 0 3 343.221 3.262 20 5 EGBDHN Cc1cncc([N+](=O)[O-])c1NC[C@H](c1cccs1)N1CCCC1 ZINC001344499561 1390795425 /nfs/dbraw/zinc/79/54/25/1390795425.db2.gz NQIMNSKRZLHJEA-CYBMUJFWSA-N 0 3 332.429 3.031 20 5 EGBDHN CCC(CC)CC(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001752673640 1440199028 /nfs/dbraw/zinc/19/90/28/1440199028.db2.gz QBTVOHHZTJVAGQ-WKILWMFISA-N 0 3 333.432 3.158 20 5 EGBDHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)CC1=CCCCC1 ZINC001754039320 1440534454 /nfs/dbraw/zinc/53/44/54/1440534454.db2.gz UDUHSJYRQCESHB-UHFFFAOYSA-N 0 3 345.443 3.423 20 5 EGBDHN O=[N+]([O-])c1cc(CNC[C@@H]2CCN(c3ccccc3F)C2)cs1 ZINC000368297313 168340404 /nfs/dbraw/zinc/34/04/04/168340404.db2.gz WJAQOGPRBZUCEK-LBPRGKRZSA-N 0 3 335.404 3.412 20 5 EGBDHN C[C@H](NC(C)(C)CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000069391269 215399390 /nfs/dbraw/zinc/39/93/90/215399390.db2.gz RAYGUTMVWXRIJD-AWEZNQCLSA-N 0 3 341.411 3.454 20 5 EGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN(C[C@H]2CCOC2)C2CC2)c1 ZINC000130059546 223117622 /nfs/dbraw/zinc/11/76/22/223117622.db2.gz VJCHRMUEHPNCNC-LLVKDONJSA-N 0 3 342.342 3.197 20 5 EGBDHN C[C@H](O)[C@@](C)(CNCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000191711948 239261593 /nfs/dbraw/zinc/26/15/93/239261593.db2.gz YPXCQMXIONFKPR-HNAYVOBHSA-N 0 3 328.412 3.314 20 5 EGBDHN CC(C)c1ccc([C@@H](N)CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000236720406 242333877 /nfs/dbraw/zinc/33/38/77/242333877.db2.gz IKHPWVSNJHBAAK-SFHVURJKSA-N 0 3 341.411 3.077 20 5 EGBDHN C[C@H](NC(=O)[C@@H](C)[C@@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000246789753 243316718 /nfs/dbraw/zinc/31/67/18/243316718.db2.gz XPBFZXHHURJIQB-GDZNZVCISA-N 0 3 327.384 3.108 20 5 EGBDHN CCN(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000016468861 211906759 /nfs/dbraw/zinc/90/67/59/211906759.db2.gz JPAJCIWHWDOFOO-SFHVURJKSA-N 0 3 341.411 3.408 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000376079145 168864225 /nfs/dbraw/zinc/86/42/25/168864225.db2.gz HAEHBUJXDSQKMI-ZFWWWQNUSA-N 0 3 344.415 3.153 20 5 EGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N3CCCC3)C2)c1 ZINC000377452459 169026396 /nfs/dbraw/zinc/02/63/96/169026396.db2.gz ZBDQRGPKXVMDEO-ZDUSSCGKSA-N 0 3 349.456 3.017 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000181695509 533222210 /nfs/dbraw/zinc/22/22/10/533222210.db2.gz NPKBURFQORNZGI-XIRDDKMYSA-N 0 3 332.400 3.041 20 5 EGBDHN Cc1nc(NC2CCN([C@@H](C)c3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000119269771 221281242 /nfs/dbraw/zinc/28/12/42/221281242.db2.gz DDHIBLWBZQXURO-AWEZNQCLSA-N 0 3 341.415 3.331 20 5 EGBDHN CC1(C)CCCC[C@@H]1NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000119757771 221394080 /nfs/dbraw/zinc/39/40/80/221394080.db2.gz YDRCEBXBCLMVQL-INIZCTEOSA-N 0 3 331.416 3.042 20 5 EGBDHN O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCC2(CCC2)C1 ZINC000348168120 141242688 /nfs/dbraw/zinc/24/26/88/141242688.db2.gz LXYZQOKHTUQHEO-UHFFFAOYSA-N 0 3 345.399 3.159 20 5 EGBDHN C[C@H]1CCN(C)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000353457577 141300485 /nfs/dbraw/zinc/30/04/85/141300485.db2.gz ZSCSGCONPYIZSZ-ZDUSSCGKSA-N 0 3 346.456 3.244 20 5 EGBDHN CC(C)[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000171449601 144003597 /nfs/dbraw/zinc/00/35/97/144003597.db2.gz IQRBUZGMPZPQDK-WMLDXEAASA-N 0 3 333.432 3.283 20 5 EGBDHN C[C@H](NCCNC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000178643975 144073742 /nfs/dbraw/zinc/07/37/42/144073742.db2.gz LHLGODIBIXRDIU-LBPRGKRZSA-N 0 3 347.802 3.329 20 5 EGBDHN CC[C@@H](COC)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000120206354 152260634 /nfs/dbraw/zinc/26/06/34/152260634.db2.gz RJNCGNVTELGOMH-LBPRGKRZSA-N 0 3 334.372 3.378 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000192771644 153258259 /nfs/dbraw/zinc/25/82/59/153258259.db2.gz GEGJMOWCFNIPRE-BBRMVZONSA-N 0 3 343.431 3.052 20 5 EGBDHN CC(C)(C)[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000303671400 154052136 /nfs/dbraw/zinc/05/21/36/154052136.db2.gz PGUYUNMRTNENOL-OAHLLOKOSA-N 0 3 333.432 3.342 20 5 EGBDHN COc1ccc(-c2ccc(CN3CC[C@@H]([C@H](C)O)C3)o2)c([N+](=O)[O-])c1 ZINC000305840312 154134553 /nfs/dbraw/zinc/13/45/53/154134553.db2.gz GXZODDNJABITKX-QWHCGFSZSA-N 0 3 346.383 3.066 20 5 EGBDHN COc1cccc([C@H](CNc2cc(OC)ccc2[N+](=O)[O-])N(C)C)c1 ZINC000327217497 154186653 /nfs/dbraw/zinc/18/66/53/154186653.db2.gz TVDGHKAYXPAAQB-SFHVURJKSA-N 0 3 345.399 3.327 20 5 EGBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCN1CCCCCC1 ZINC000336872141 154223814 /nfs/dbraw/zinc/22/38/14/154223814.db2.gz KONPLYYZUWBSMQ-UHFFFAOYSA-N 0 3 332.326 3.297 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000337385547 154324105 /nfs/dbraw/zinc/32/41/05/154324105.db2.gz WYSBWADOVCXLRP-TZMCWYRMSA-N 0 3 334.420 3.145 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCCC3CCOCC3)C2)nc1 ZINC000337191621 163157883 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EGBDHN C[C@@H]1C[C@H](NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCO1 ZINC000271321050 266640561 /nfs/dbraw/zinc/64/05/61/266640561.db2.gz YFSPLFPFVGPUST-DGCLKSJQSA-N 0 3 333.413 3.375 20 5 EGBDHN CC(C)=CCC[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273380082 267030100 /nfs/dbraw/zinc/03/01/00/267030100.db2.gz CAKPQUVUHXAEPN-AWEZNQCLSA-N 0 3 340.445 3.093 20 5 EGBDHN CC[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)s1 ZINC000273559793 267058844 /nfs/dbraw/zinc/05/88/44/267058844.db2.gz ZIJJFOVSAABAFB-NSHDSACASA-N 0 3 341.820 3.212 20 5 EGBDHN Cc1cccc(C(=O)Nc2ccccc2CCN(C)C)c1[N+](=O)[O-] ZINC000275580516 267385675 /nfs/dbraw/zinc/38/56/75/267385675.db2.gz DHPHUMKVPBMVEF-UHFFFAOYSA-N 0 3 327.384 3.260 20 5 EGBDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000151933801 273563415 /nfs/dbraw/zinc/56/34/15/273563415.db2.gz HMQHROVGIZTEPY-INIZCTEOSA-N 0 3 327.384 3.148 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000172824232 275197588 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Cc1cc(NCC[C@H]2CCO[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000543208645 314614274 /nfs/dbraw/zinc/61/42/74/314614274.db2.gz REBFGMXQLMHXPR-KBPBESRZSA-N 0 3 329.400 3.490 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CCN(C)C)C[C@@H]1CCCO1 ZINC000564313564 316134587 /nfs/dbraw/zinc/13/45/87/316134587.db2.gz YPZYZVXGJKYFNL-UIRWJGRMSA-N 0 3 347.459 3.041 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C\CN1CCNC[C@H]1c1cccc(F)c1 ZINC000565659260 316353231 /nfs/dbraw/zinc/35/32/31/316353231.db2.gz SNIAQIDWPXCBHD-OCTSTCLRSA-N 0 3 341.386 3.394 20 5 EGBDHN CCSc1ccc([C@H](C)NCCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000182114812 323526638 /nfs/dbraw/zinc/52/66/38/323526638.db2.gz OBQHOBNXJMVEOO-ZDUSSCGKSA-N 0 3 347.440 3.219 20 5 EGBDHN CC(C)c1ccc(C(=O)N2CCCC[C@H]2CN(C)C)cc1[N+](=O)[O-] ZINC000189706089 323784823 /nfs/dbraw/zinc/78/48/23/323784823.db2.gz ZPCRRLVYBVFRNF-HNNXBMFYSA-N 0 3 333.432 3.275 20 5 EGBDHN O=C(CN[C@H](c1ccccc1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000192501103 323818031 /nfs/dbraw/zinc/81/80/31/323818031.db2.gz NGFYNLJUIFNNFB-GOSISDBHSA-N 0 3 325.368 3.274 20 5 EGBDHN CCOc1ccc(NC(=O)CN(CC)C(CC)CC)c([N+](=O)[O-])c1 ZINC000579283760 325088032 /nfs/dbraw/zinc/08/80/32/325088032.db2.gz SVLMWEVAVLJGOF-UHFFFAOYSA-N 0 3 337.420 3.443 20 5 EGBDHN CCN(C[C@H]1CCCN1CC)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000581659213 325380143 /nfs/dbraw/zinc/38/01/43/325380143.db2.gz PIGDKOXRFUTURU-QGZVFWFLSA-N 0 3 347.459 3.205 20 5 EGBDHN C[C@H](N[C@@H](C)C1CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000157734013 455225684 /nfs/dbraw/zinc/22/56/84/455225684.db2.gz OCCCWURLTXZYKW-UWVGGRQHSA-N 0 3 325.796 3.353 20 5 EGBDHN COc1cccc2c1OC[C@@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000173381402 455276475 /nfs/dbraw/zinc/27/64/75/455276475.db2.gz AVRIKTYIVHEZDL-DOMZBBRYSA-N 0 3 328.368 3.258 20 5 EGBDHN CS[C@@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)(C)C ZINC000612193741 460563522 /nfs/dbraw/zinc/56/35/22/460563522.db2.gz RODPEERTIUWKHH-HNNXBMFYSA-N 0 3 340.445 3.233 20 5 EGBDHN C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)N1CCCCCC1 ZINC000183742641 455324661 /nfs/dbraw/zinc/32/46/61/455324661.db2.gz DNFMTYWJSIVDTL-LBPRGKRZSA-N 0 3 339.823 3.129 20 5 EGBDHN CCc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N(C)C)cc1 ZINC000018017102 453641545 /nfs/dbraw/zinc/64/15/45/453641545.db2.gz BVRPOKNJYNDCQV-GOSISDBHSA-N 0 3 341.411 3.190 20 5 EGBDHN CN(C)CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C1CCCC1 ZINC000053153157 453862776 /nfs/dbraw/zinc/86/27/76/453862776.db2.gz YACUINCUXANKGX-UHFFFAOYSA-N 0 3 344.415 3.023 20 5 EGBDHN CC(C)(C)CCN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083169100 453940462 /nfs/dbraw/zinc/94/04/62/453940462.db2.gz AWVBJNZVDCVHRZ-UHFFFAOYSA-N 0 3 346.431 3.290 20 5 EGBDHN C[C@@H]1CSCCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000190842766 455390095 /nfs/dbraw/zinc/39/00/95/455390095.db2.gz BMEBGPYJARPKDP-ZDUSSCGKSA-N 0 3 346.456 3.180 20 5 EGBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000084249757 453980046 /nfs/dbraw/zinc/98/00/46/453980046.db2.gz AZBYPESLLROMJH-UHFFFAOYSA-N 0 3 347.440 3.169 20 5 EGBDHN Cc1c(C(=O)N(CCN(C)C)Cc2cccs2)cccc1[N+](=O)[O-] ZINC000084251153 453980662 /nfs/dbraw/zinc/98/06/62/453980662.db2.gz OQWPBDPRFVSHLP-UHFFFAOYSA-N 0 3 347.440 3.169 20 5 EGBDHN C[C@H](NC(=O)NC[C@H](C)N1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000056400007 454056332 /nfs/dbraw/zinc/05/63/32/454056332.db2.gz AWNQPVCAEFDPQA-ILXRZTDVSA-N 0 3 348.447 3.218 20 5 EGBDHN O=[N+]([O-])c1cccnc1NCC1CCN(Cc2cccs2)CC1 ZINC000057854714 454152557 /nfs/dbraw/zinc/15/25/57/454152557.db2.gz SRZFEFNNOXKZPB-UHFFFAOYSA-N 0 3 332.429 3.375 20 5 EGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCN(C2CC2)CC1 ZINC000130934614 454227528 /nfs/dbraw/zinc/22/75/28/454227528.db2.gz LCPSWHRBIKNYQX-UHFFFAOYSA-N 0 3 349.456 3.063 20 5 EGBDHN Cc1c(CN2CCC(CN3CCCCC3=O)CC2)cccc1[N+](=O)[O-] ZINC000071912003 454254206 /nfs/dbraw/zinc/25/42/06/454254206.db2.gz CTETZLLHOZFIAP-UHFFFAOYSA-N 0 3 345.443 3.128 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H](C)S[C@H](C)C1 ZINC000072769255 454338254 /nfs/dbraw/zinc/33/82/54/454338254.db2.gz ZBRCUILEQBXOHK-CHWSQXEVSA-N 0 3 337.445 3.058 20 5 EGBDHN C[C@@H](NCC1(N2CCOCC2)CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000080464728 454585408 /nfs/dbraw/zinc/58/54/08/454585408.db2.gz DCKMLSDTEZPGPE-MRXNPFEDSA-N 0 3 347.459 3.281 20 5 EGBDHN CCN1CCC(N(C)c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092585123 454589918 /nfs/dbraw/zinc/58/99/18/454589918.db2.gz KLWAMOXNUJJUHE-UHFFFAOYSA-N 0 3 329.347 3.117 20 5 EGBDHN C[C@H](NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000123686435 454664533 /nfs/dbraw/zinc/66/45/33/454664533.db2.gz WHMSOCIPXVTNPH-KFWWJZLASA-N 0 3 335.448 3.133 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(CN(C)C)ccc2C)c1 ZINC000177340463 454853439 /nfs/dbraw/zinc/85/34/39/454853439.db2.gz XTLGYZWHTUESKD-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN Cc1c([C@@H](C)N[C@H]2CCN(c3ncccc3F)C2)cccc1[N+](=O)[O-] ZINC000168172885 454925657 /nfs/dbraw/zinc/92/56/57/454925657.db2.gz VBWVCHFAPZPDCA-KGLIPLIRSA-N 0 3 344.390 3.367 20 5 EGBDHN CCC[C@H](NCCC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178200710 454942544 /nfs/dbraw/zinc/94/25/44/454942544.db2.gz PHQURBTUNKBUGL-KRWDZBQOSA-N 0 3 333.432 3.428 20 5 EGBDHN COc1ccccc1C[C@H](C)N(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178864566 454986344 /nfs/dbraw/zinc/98/63/44/454986344.db2.gz OMUXPSXYUVKGAF-KSSFIOAISA-N 0 3 344.411 3.200 20 5 EGBDHN CC[C@H](Cc1ccccc1)N(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000128640352 455074171 /nfs/dbraw/zinc/07/41/71/455074171.db2.gz HOPNLPYMSHZMJX-QGZVFWFLSA-N 0 3 341.411 3.147 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1OCCN(C)Cc1ccc(F)cc1 ZINC000189268493 455166531 /nfs/dbraw/zinc/16/65/31/455166531.db2.gz RJOGGOCLKIKWIT-UHFFFAOYSA-N 0 3 334.347 3.253 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCc3cccc(F)c3)C2)nc1 ZINC000182877924 455182951 /nfs/dbraw/zinc/18/29/51/455182951.db2.gz OTPGOZNJGCOWHP-INIZCTEOSA-N 0 3 344.390 3.248 20 5 EGBDHN C[C@@H](NCCCNC(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000173405846 455279338 /nfs/dbraw/zinc/27/93/38/455279338.db2.gz UWQKTBVPOLDQNC-CYBMUJFWSA-N 0 3 345.374 3.205 20 5 EGBDHN C[C@@](O)(CNCc1cc(Cl)ccc1[N+](=O)[O-])c1cccs1 ZINC000265776256 455378948 /nfs/dbraw/zinc/37/89/48/455378948.db2.gz NGTUJYDZUONKCN-CQSZACIVSA-N 0 3 326.805 3.307 20 5 EGBDHN C[C@@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000266758021 455448699 /nfs/dbraw/zinc/44/86/99/455448699.db2.gz FMOWRKBARZWZAX-CZUORRHYSA-N 0 3 339.395 3.330 20 5 EGBDHN C[C@H](NC[C@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266852831 455463200 /nfs/dbraw/zinc/46/32/00/455463200.db2.gz JHEHYCBYCWFZGQ-DZGCQCFKSA-N 0 3 332.375 3.236 20 5 EGBDHN C[C@@H](O)[C@](C)(CNCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000191711869 455511723 /nfs/dbraw/zinc/51/17/23/455511723.db2.gz RAXNKPOYHDYZGM-BEFAXECRSA-N 0 3 328.412 3.314 20 5 EGBDHN CCCNC(=O)C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182611758 455553062 /nfs/dbraw/zinc/55/30/62/455553062.db2.gz WFQIZKVQCIGHEV-CQSZACIVSA-N 0 3 333.432 3.202 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000182736693 455578728 /nfs/dbraw/zinc/57/87/28/455578728.db2.gz HGQSIYDKQMKHSJ-JKSUJKDBSA-N 0 3 347.459 3.448 20 5 EGBDHN O=[N+]([O-])c1ccccc1CCN[C@@H](c1nc[nH]n1)C1CCCCC1 ZINC000292281586 455617924 /nfs/dbraw/zinc/61/79/24/455617924.db2.gz UTYPMNSJTYCUAA-MRXNPFEDSA-N 0 3 329.404 3.167 20 5 EGBDHN C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000247561141 455624744 /nfs/dbraw/zinc/62/47/44/455624744.db2.gz ZPONADMPCYLFEN-BXUZGUMPSA-N 0 3 347.440 3.222 20 5 EGBDHN C[C@H](C[C@H](C)NCc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000271424919 455631632 /nfs/dbraw/zinc/63/16/32/455631632.db2.gz CKFWBYKXJJAVQH-QWHCGFSZSA-N 0 3 337.420 3.376 20 5 EGBDHN C[C@@H]1C[C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271530215 455673908 /nfs/dbraw/zinc/67/39/08/455673908.db2.gz RGRXJENUZGHBOA-MNOVXSKESA-N 0 3 330.331 3.101 20 5 EGBDHN Cc1cnc(NC[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000192954521 455725982 /nfs/dbraw/zinc/72/59/82/455725982.db2.gz UMUCDAUVSPPHQJ-INIZCTEOSA-N 0 3 326.400 3.232 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000187249997 455887044 /nfs/dbraw/zinc/88/70/44/455887044.db2.gz NKXJYLUMLZFURD-RDTXWAMCSA-N 0 3 341.411 3.324 20 5 EGBDHN CCc1ccc(C(=O)Nc2ccc3c(c2F)CCNC3)cc1[N+](=O)[O-] ZINC000261678849 455926016 /nfs/dbraw/zinc/92/60/16/455926016.db2.gz HDFKPJLFZBRSMT-UHFFFAOYSA-N 0 3 343.358 3.194 20 5 EGBDHN C[C@@H](CO)CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000270319988 455929175 /nfs/dbraw/zinc/92/91/75/455929175.db2.gz XPAAYXJUNWYMGV-GFCCVEGCSA-N 0 3 335.429 3.217 20 5 EGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000286241548 456007265 /nfs/dbraw/zinc/00/72/65/456007265.db2.gz FKSWLDUIVFMWLL-DZGCQCFKSA-N 0 3 326.400 3.206 20 5 EGBDHN O=[N+]([O-])c1ccccc1CN1CCNC[C@@H]1c1ccccc1Cl ZINC000262298488 456021400 /nfs/dbraw/zinc/02/14/00/456021400.db2.gz XCBUWNBMDWARFH-QGZVFWFLSA-N 0 3 331.803 3.395 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CC[C@]3(CCN(Cc4ccccc4)C3)C2)nc1 ZINC000286330705 456025571 /nfs/dbraw/zinc/02/55/71/456025571.db2.gz LNBCFIDENLXIPA-IBGZPJMESA-N 0 3 338.411 3.092 20 5 EGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000270958629 456077190 /nfs/dbraw/zinc/07/71/90/456077190.db2.gz GGSLFPFCSUSTRT-NSHDSACASA-N 0 3 339.823 3.051 20 5 EGBDHN CCOc1cc(CN2C[C@H]3CCCCN3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000332496233 456084197 /nfs/dbraw/zinc/08/41/97/456084197.db2.gz BWEIEWXFWHZDJK-GOEBONIOSA-N 0 3 333.432 3.052 20 5 EGBDHN COc1cc(NCCN2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301378521 456102665 /nfs/dbraw/zinc/10/26/65/456102665.db2.gz SLIRMOLMQQPDKQ-UHFFFAOYSA-N 0 3 327.384 3.074 20 5 EGBDHN Cc1cc(NCCCN2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000301414728 456109714 /nfs/dbraw/zinc/10/97/14/456109714.db2.gz BGUCENJRXCXENS-UHFFFAOYSA-N 0 3 326.400 3.159 20 5 EGBDHN COCCOCCN(C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000289148334 456116135 /nfs/dbraw/zinc/11/61/35/456116135.db2.gz ZICSCZLCNDVPIQ-UHFFFAOYSA-N 0 3 341.407 3.041 20 5 EGBDHN C[C@@H](N[C@@H](C)C(=O)N(C)C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188992445 456193129 /nfs/dbraw/zinc/19/31/29/456193129.db2.gz HPFGQFMYNNIPGQ-NEPJUHHUSA-N 0 3 347.440 3.451 20 5 EGBDHN Cc1nc(N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000297359191 456197929 /nfs/dbraw/zinc/19/79/29/456197929.db2.gz BZAUWNGIKNKJBT-CJNGLKHVSA-N 0 3 341.415 3.016 20 5 EGBDHN C[C@H]1CN(CCCCNc2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000301724691 456199103 /nfs/dbraw/zinc/19/91/03/456199103.db2.gz PABFKXWWWDQYJB-STQMWFEESA-N 0 3 325.384 3.035 20 5 EGBDHN CC[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000302135964 456296796 /nfs/dbraw/zinc/29/67/96/456296796.db2.gz BCOPAGQZQMTXSJ-KRWDZBQOSA-N 0 3 340.427 3.399 20 5 EGBDHN COc1cc(CN[C@H]2CSC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000352795765 456317189 /nfs/dbraw/zinc/31/71/89/456317189.db2.gz FFPZPKFLVQNURH-WPRPVWTQSA-N 0 3 348.371 3.046 20 5 EGBDHN C[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCC[C@@H]1C ZINC000342926025 456318895 /nfs/dbraw/zinc/31/88/95/456318895.db2.gz OIPIJWLBRRBRGG-STQMWFEESA-N 0 3 344.415 3.069 20 5 EGBDHN CC1(C)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1O ZINC000276061098 456381760 /nfs/dbraw/zinc/38/17/60/456381760.db2.gz VEFUWTSMKDYCLJ-QGZVFWFLSA-N 0 3 330.384 3.448 20 5 EGBDHN CN1CCN(CCC(C)(C)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000302792008 456402723 /nfs/dbraw/zinc/40/27/23/456402723.db2.gz YTRZULDBLPEQEQ-UHFFFAOYSA-N 0 3 340.855 3.076 20 5 EGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)C ZINC000343170027 456449724 /nfs/dbraw/zinc/44/97/24/456449724.db2.gz BLDLFEMBFQCQLN-LBPRGKRZSA-N 0 3 339.461 3.023 20 5 EGBDHN CCC(CC)(CCO)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000282405108 456501959 /nfs/dbraw/zinc/50/19/59/456501959.db2.gz IAVVOOYVIDBKNJ-UHFFFAOYSA-N 0 3 333.388 3.281 20 5 EGBDHN CC(C)(C)CCN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000298844503 456552838 /nfs/dbraw/zinc/55/28/38/456552838.db2.gz IYMIAAXWMDCAKI-UHFFFAOYSA-N 0 3 335.448 3.027 20 5 EGBDHN CCS[C@@H]1CCC[C@H]1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000348467192 456701341 /nfs/dbraw/zinc/70/13/41/456701341.db2.gz HKJNJRITVMTXCA-UKRRQHHQSA-N 0 3 337.445 3.106 20 5 EGBDHN Cc1ccc([C@H](C)NC[C@H](CC(C)C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000327296909 456704834 /nfs/dbraw/zinc/70/48/34/456704834.db2.gz LRGBLUCOMITATL-WMZOPIPTSA-N 0 3 349.475 3.301 20 5 EGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H](Cc2nccn2C)C1 ZINC000340892715 456745084 /nfs/dbraw/zinc/74/50/84/456745084.db2.gz BTNZOCGSVDROOV-LSDHHAIUSA-N 0 3 328.416 3.344 20 5 EGBDHN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2CCc1ccc([N+](=O)[O-])cc1 ZINC000283688840 456824413 /nfs/dbraw/zinc/82/44/13/456824413.db2.gz INNHULYBFNKVON-MSOLQXFVSA-N 0 3 338.411 3.191 20 5 EGBDHN CCN(C)c1ccc(CN(C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000338957360 456876884 /nfs/dbraw/zinc/87/68/84/456876884.db2.gz ZNESEDKCLNTFQW-UHFFFAOYSA-N 0 3 328.416 3.120 20 5 EGBDHN CN(C)CCN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000349324200 456942644 /nfs/dbraw/zinc/94/26/44/456942644.db2.gz BJBQAZDBNAACAL-VMPITWQZSA-N 0 3 329.400 3.265 20 5 EGBDHN CCN1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1C ZINC000345188910 456960487 /nfs/dbraw/zinc/96/04/87/456960487.db2.gz ITWVOCDUYXYUCG-GHMZBOCLSA-N 0 3 329.347 3.115 20 5 EGBDHN COc1cccc(CN(CCN(C)C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000349413213 456965293 /nfs/dbraw/zinc/96/52/93/456965293.db2.gz DFKURVBHSOFLBM-UHFFFAOYSA-N 0 3 343.427 3.167 20 5 EGBDHN Cc1ccc([C@@H](C)NC(=O)c2ccccc2CN(C)C)cc1[N+](=O)[O-] ZINC000362876848 457138467 /nfs/dbraw/zinc/13/84/67/457138467.db2.gz RHWDJKWNVZSHQO-CQSZACIVSA-N 0 3 341.411 3.456 20 5 EGBDHN CN(C)[C@@]1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCSC1 ZINC000339677548 457207435 /nfs/dbraw/zinc/20/74/35/457207435.db2.gz OCCVKZNLXIFOJN-CYBMUJFWSA-N 0 3 349.378 3.463 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C[C@H]3CCCCC3(F)F)C2)nc1 ZINC000331581502 457211052 /nfs/dbraw/zinc/21/10/52/457211052.db2.gz XFFPEQWFVPNLJJ-OLZOCXBDSA-N 0 3 340.374 3.302 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331731442 457241499 /nfs/dbraw/zinc/24/14/99/457241499.db2.gz PWLUENUFOXVZCY-CVEARBPZSA-N 0 3 345.443 3.299 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000331855491 457261960 /nfs/dbraw/zinc/26/19/60/457261960.db2.gz FGEAVKAYNWYKLY-BVPBIZIASA-N 0 3 348.443 3.365 20 5 EGBDHN C[C@@H]1CCCC[C@@H]1OCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000331872163 457266045 /nfs/dbraw/zinc/26/60/45/457266045.db2.gz HDZPVLORRSPJDK-ZBFHGGJFSA-N 0 3 336.436 3.024 20 5 EGBDHN CC[C@@H](NC(=O)c1ccc2c(c1)CNC2)c1cccc([N+](=O)[O-])c1 ZINC000347565984 457512899 /nfs/dbraw/zinc/51/28/99/457512899.db2.gz WRBNSKSUIURJRP-QGZVFWFLSA-N 0 3 325.368 3.079 20 5 EGBDHN COCC(C)(C)N1CCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000425352536 457513478 /nfs/dbraw/zinc/51/34/78/457513478.db2.gz OOPKAGCRSSNIID-FOWTUZBSSA-N 0 3 347.459 3.041 20 5 EGBDHN Cc1cc(N(CCN(C)C)Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000347648408 457573538 /nfs/dbraw/zinc/57/35/38/457573538.db2.gz ORXOWJRCSCDYGB-UHFFFAOYSA-N 0 3 332.379 3.006 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000425557735 457598633 /nfs/dbraw/zinc/59/86/33/457598633.db2.gz WSQFWJYGYGUYAO-SFHVURJKSA-N 0 3 346.427 3.255 20 5 EGBDHN CCc1cnccc1[C@@H](C)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000361135345 457604371 /nfs/dbraw/zinc/60/43/71/457604371.db2.gz MADZUWJEKCRJIE-CYBMUJFWSA-N 0 3 342.399 3.232 20 5 EGBDHN CCO[C@H]1C[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000357802040 457695458 /nfs/dbraw/zinc/69/54/58/457695458.db2.gz LDOFTRZKEZPOOX-SJORKVTESA-N 0 3 334.416 3.253 20 5 EGBDHN CCN(CC1CCC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000361482398 457745481 /nfs/dbraw/zinc/74/54/81/457745481.db2.gz XOIGPWDRMCPKGA-GFCCVEGCSA-N 0 3 335.404 3.052 20 5 EGBDHN CC(C)(C)N1C[C@@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000433281089 457797621 /nfs/dbraw/zinc/79/76/21/457797621.db2.gz AQKLBRYLGHPDEQ-BLLLJJGKSA-N 0 3 345.443 3.306 20 5 EGBDHN O=C(CCN1CCC[C@@H]1c1cccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000411414188 457880030 /nfs/dbraw/zinc/88/00/30/457880030.db2.gz HSJGWWDEVYTJDO-MRXNPFEDSA-N 0 3 340.383 3.156 20 5 EGBDHN O=[N+]([O-])c1cc(CNC[C@]2(CO)C[C@@H]2c2ccc(F)cc2)cs1 ZINC000428545823 458166420 /nfs/dbraw/zinc/16/64/20/458166420.db2.gz LCXGBVCACAYOCR-ZBFHGGJFSA-N 0 3 336.388 3.051 20 5 EGBDHN CN(C)c1ccccc1CN[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587627 458317421 /nfs/dbraw/zinc/31/74/21/458317421.db2.gz ROBZQLYJFLHJRD-WBVHZDCISA-N 0 3 343.431 3.131 20 5 EGBDHN Cc1cccc(C[C@H](CO)N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000447599785 458319288 /nfs/dbraw/zinc/31/92/88/458319288.db2.gz YREGHTKJMFDXES-YLJYHZDGSA-N 0 3 340.423 3.474 20 5 EGBDHN O=[N+]([O-])c1ccc2[nH]c(CNC[C@@H]3CCOc4ccccc43)nc2c1 ZINC000373237347 458440051 /nfs/dbraw/zinc/44/00/51/458440051.db2.gz QAYJFPXKOUBLAD-LBPRGKRZSA-N 0 3 338.367 3.127 20 5 EGBDHN COC(=O)[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H]1C ZINC000470149750 458615906 /nfs/dbraw/zinc/61/59/06/458615906.db2.gz CRSXRKLGXZCIHU-BLLLJJGKSA-N 0 3 344.367 3.238 20 5 EGBDHN COC(=O)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000470147071 458615991 /nfs/dbraw/zinc/61/59/91/458615991.db2.gz CEEXRMXWVOSTFX-LRDDRELGSA-N 0 3 344.367 3.238 20 5 EGBDHN CC(C)c1ccc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000473574706 458835850 /nfs/dbraw/zinc/83/58/50/458835850.db2.gz YCUAKONYZFKHEX-OAHLLOKOSA-N 0 3 345.443 3.465 20 5 EGBDHN C[C@H](C[C@@H](C)NC(=O)OC(C)(C)C)NCc1cccc([N+](=O)[O-])c1 ZINC000495752591 458942090 /nfs/dbraw/zinc/94/20/90/458942090.db2.gz JBAPEJYLBWVCFE-CHWSQXEVSA-N 0 3 337.420 3.376 20 5 EGBDHN C[C@@H](NC(=O)C1CN(C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000457467437 458966825 /nfs/dbraw/zinc/96/68/25/458966825.db2.gz SSIZRFYCINHFGM-CYBMUJFWSA-N 0 3 331.416 3.037 20 5 EGBDHN O=[N+]([O-])c1ccn(CCS[C@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000567110599 459049240 /nfs/dbraw/zinc/04/92/40/459049240.db2.gz OEDRWJNDRVTMOD-INIZCTEOSA-N 0 3 346.456 3.189 20 5 EGBDHN C[C@@H](CC(N)=O)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000479528073 459146935 /nfs/dbraw/zinc/14/69/35/459146935.db2.gz MUJDOKUVNGNXKQ-QWRGUYRKSA-N 0 3 333.413 3.238 20 5 EGBDHN CC(C)(CO)[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000558475060 459164369 /nfs/dbraw/zinc/16/43/69/459164369.db2.gz ACOKTARXUKOCEM-SFHVURJKSA-N 0 3 344.411 3.323 20 5 EGBDHN Cc1c([C@H](C)NC[C@@H](CC(C)C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000480272010 459190438 /nfs/dbraw/zinc/19/04/38/459190438.db2.gz BFWHKCLNSSJQDK-DLBZAZTESA-N 0 3 349.475 3.301 20 5 EGBDHN CC(C)c1ccc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594961952 459195041 /nfs/dbraw/zinc/19/50/41/459195041.db2.gz BLBJLWYNNQMMHT-WBPRFABPSA-N 0 3 338.473 3.498 20 5 EGBDHN CCC(CC)[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000480524278 459201795 /nfs/dbraw/zinc/20/17/95/459201795.db2.gz JRAAEPXHBFPJHW-KXBFYZLASA-N 0 3 349.475 3.382 20 5 EGBDHN CCCN(CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])CC(C)C ZINC000533249095 459205980 /nfs/dbraw/zinc/20/59/80/459205980.db2.gz LCRLJANBWMDYJE-UHFFFAOYSA-N 0 3 337.420 3.300 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1ccc2c(c1)OCO2 ZINC000595003991 459211851 /nfs/dbraw/zinc/21/18/51/459211851.db2.gz MHYJMSKBLQWICA-GFCCVEGCSA-N 0 3 344.367 3.225 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)Cc1c(C)noc1C ZINC000595007053 459212603 /nfs/dbraw/zinc/21/26/03/459212603.db2.gz FJTIHYBBNOCVSU-MNOVXSKESA-N 0 3 333.388 3.490 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)[C@H](O)Cc1ccccc1 ZINC000595022541 459219964 /nfs/dbraw/zinc/21/99/64/459219964.db2.gz MPPCNTVKDNTOHC-PMUMKWKESA-N 0 3 344.411 3.246 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000595032910 459223069 /nfs/dbraw/zinc/22/30/69/459223069.db2.gz MUNHKFXCXYHUNJ-JBBXEZCESA-N 0 3 334.416 3.459 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@]1(C)CCO[C@@H]1C1CC1 ZINC000595032911 459223555 /nfs/dbraw/zinc/22/35/55/459223555.db2.gz MUNHKFXCXYHUNJ-RZAIGCCYSA-N 0 3 334.416 3.459 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@]1(C)CCO[C@H]1C1CC1 ZINC000595032912 459223827 /nfs/dbraw/zinc/22/38/27/459223827.db2.gz MUNHKFXCXYHUNJ-UYHISHBKSA-N 0 3 334.416 3.459 20 5 EGBDHN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000595386660 459288597 /nfs/dbraw/zinc/28/85/97/459288597.db2.gz KCQVFWHXQZEVEJ-SUMWQHHRSA-N 0 3 333.407 3.183 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCCOC[C@H]1CCOC1)CCCC2 ZINC000591347962 459358536 /nfs/dbraw/zinc/35/85/36/459358536.db2.gz LKIZVNBZZROPKA-KSSFIOAISA-N 0 3 334.416 3.005 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CCC([C@@H]3CCCCO3)CC2)c1 ZINC000595785271 459440025 /nfs/dbraw/zinc/44/00/25/459440025.db2.gz CWPOVMLBPGMDIZ-SFHVURJKSA-N 0 3 334.416 3.255 20 5 EGBDHN O=c1[n-]ccc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000596120140 459527962 /nfs/dbraw/zinc/52/79/62/459527962.db2.gz GBMXYDLOBYLLPG-CQSZACIVSA-N 0 3 334.420 3.152 20 5 EGBDHN O=c1[n-]ccc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000596120140 459527964 /nfs/dbraw/zinc/52/79/64/459527964.db2.gz GBMXYDLOBYLLPG-CQSZACIVSA-N 0 3 334.420 3.152 20 5 EGBDHN CCOc1cc(CN2CCC[C@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000592134881 459533008 /nfs/dbraw/zinc/53/30/08/459533008.db2.gz SFAIMBXVKATJEG-HOTGVXAUSA-N 0 3 334.416 3.385 20 5 EGBDHN CN1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC12CCCCC2 ZINC000596250645 459575261 /nfs/dbraw/zinc/57/52/61/459575261.db2.gz JXPLPUQOWIOBDU-UHFFFAOYSA-N 0 3 347.444 3.054 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000542980401 459615531 /nfs/dbraw/zinc/61/55/31/459615531.db2.gz RRZLVRGCCDGCJD-RRFJBIMHSA-N 0 3 331.416 3.352 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@]1(C)CCO[C@H]1C1CC1 ZINC000543237261 459637219 /nfs/dbraw/zinc/63/72/19/459637219.db2.gz WHEAJZXNFFTZBI-ROUUACIJSA-N 0 3 334.416 3.429 20 5 EGBDHN Cc1c(NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000573384357 459668405 /nfs/dbraw/zinc/66/84/05/459668405.db2.gz XCNKBWPKVMDIEA-MRXNPFEDSA-N 0 3 339.395 3.364 20 5 EGBDHN CC(=O)c1ccc(NC[C@H]2CCCN(CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596570393 459680227 /nfs/dbraw/zinc/68/02/27/459680227.db2.gz JRHUKHGFMQTKMX-OAHLLOKOSA-N 0 3 331.416 3.331 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCN1CCCC[C@H]1CC ZINC000500918487 459702360 /nfs/dbraw/zinc/70/23/60/459702360.db2.gz MQXACXIYLJMZFK-MRXNPFEDSA-N 0 3 335.448 3.348 20 5 EGBDHN CC[C@@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](CC)CO1 ZINC000593059633 459760569 /nfs/dbraw/zinc/76/05/69/459760569.db2.gz RLZCNYJDDMEKOX-HUUCEWRRSA-N 0 3 349.431 3.121 20 5 EGBDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000574454662 459820578 /nfs/dbraw/zinc/82/05/78/459820578.db2.gz IQMZDXNCPMVFQI-CQSZACIVSA-N 0 3 347.459 3.061 20 5 EGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000598260991 459842200 /nfs/dbraw/zinc/84/22/00/459842200.db2.gz BXPUPMYQKLIABV-OAHLLOKOSA-N 0 3 347.459 3.109 20 5 EGBDHN O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN1C1CCCC1 ZINC000602110882 459844152 /nfs/dbraw/zinc/84/41/52/459844152.db2.gz LVPYHISNTBWJQJ-SFHVURJKSA-N 0 3 345.443 3.051 20 5 EGBDHN CCN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000588068484 459908599 /nfs/dbraw/zinc/90/85/99/459908599.db2.gz PFWNTPRGUZIKIJ-AWEZNQCLSA-N 0 3 326.400 3.187 20 5 EGBDHN Cc1cc(CN(C)C)cc(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000593559709 459922286 /nfs/dbraw/zinc/92/22/86/459922286.db2.gz BMKCSVOAWDBZMC-UHFFFAOYSA-N 0 3 345.374 3.285 20 5 EGBDHN COc1cc2c(c(CNCCc3ccc([N+](=O)[O-])cc3)c1)O[C@H](C)C2 ZINC000609222421 459925811 /nfs/dbraw/zinc/92/58/11/459925811.db2.gz IASBLBNKIWPWIT-CYBMUJFWSA-N 0 3 342.395 3.259 20 5 EGBDHN CO[C@@H](CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CCOCC1 ZINC000602440634 459938715 /nfs/dbraw/zinc/93/87/15/459938715.db2.gz QQEFXIVQPQELRY-SFHVURJKSA-N 0 3 336.432 3.247 20 5 EGBDHN COC1CCN(C2(CNc3ccsc3[N+](=O)[O-])CCCC2)CC1 ZINC000609350771 459950149 /nfs/dbraw/zinc/95/01/49/459950149.db2.gz RDKDEEZFMFKIHJ-UHFFFAOYSA-N 0 3 339.461 3.492 20 5 EGBDHN COc1cccc(N2CC[C@H](N(C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000613884243 459959824 /nfs/dbraw/zinc/95/98/24/459959824.db2.gz WHBLZTOIAVPLMP-INIZCTEOSA-N 0 3 341.411 3.314 20 5 EGBDHN CC(C)Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000588848923 459991830 /nfs/dbraw/zinc/99/18/30/459991830.db2.gz HQEIZWKHKFBQBX-KRWDZBQOSA-N 0 3 343.431 3.298 20 5 EGBDHN C[C@@H]1CC(NCc2cc(Br)c([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000602579968 460007848 /nfs/dbraw/zinc/00/78/48/460007848.db2.gz VMCGFWJZFZVXIL-HTQZYQBOSA-N 0 3 349.250 3.464 20 5 EGBDHN CC[C@@H](CN1CCCC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000609876834 460032891 /nfs/dbraw/zinc/03/28/91/460032891.db2.gz GTSCLHAQBXTCTI-ZDUSSCGKSA-N 0 3 347.440 3.414 20 5 EGBDHN O=[N+]([O-])c1sc(CNC[C@H]2CCSC2)cc1Br ZINC000602643132 460039330 /nfs/dbraw/zinc/03/93/30/460039330.db2.gz IUZRECOMDDHULI-SSDOTTSWSA-N 0 3 337.264 3.262 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2csc(N3CC[C@H](N4CCCC4)C3)n2)cc1 ZINC000575985097 460046569 /nfs/dbraw/zinc/04/65/69/460046569.db2.gz BVDFIEXLTUZGNH-HNNXBMFYSA-N 0 3 344.440 3.393 20 5 EGBDHN C[C@@H]1C[C@@H](CNCc2cc(Br)c([N+](=O)[O-])s2)[C@H](C)O1 ZINC000602690781 460067107 /nfs/dbraw/zinc/06/71/07/460067107.db2.gz OLXRWBDXTSIWLW-VGMNWLOBSA-N 0 3 349.250 3.322 20 5 EGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCCC1(O)CCC1 ZINC000602696131 460071251 /nfs/dbraw/zinc/07/12/51/460071251.db2.gz DSEKFAJJAMLHEX-UHFFFAOYSA-N 0 3 332.322 3.398 20 5 EGBDHN Cc1ccc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594059843 460081399 /nfs/dbraw/zinc/08/13/99/460081399.db2.gz XFIARAJHUUKSRJ-CABCVRRESA-N 0 3 332.404 3.042 20 5 EGBDHN COc1cccc([C@H](CNCc2ccc(OC)c([N+](=O)[O-])c2)OC)c1 ZINC000598988423 460118570 /nfs/dbraw/zinc/11/85/70/460118570.db2.gz QLOUNSDIGQUIEY-SFHVURJKSA-N 0 3 346.383 3.089 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN1CCC(c2ccccc2F)CC1 ZINC000602779486 460119823 /nfs/dbraw/zinc/11/98/23/460119823.db2.gz HMRLENIQWXKFRI-UHFFFAOYSA-N 0 3 332.379 3.118 20 5 EGBDHN CN(c1ccccc1)c1ccc(CNC[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599007692 460125550 /nfs/dbraw/zinc/12/55/50/460125550.db2.gz TZHYFWHEMLIBOD-WOVMCDHWSA-N 0 3 341.411 3.223 20 5 EGBDHN CC[C@@H](CN1CCCC1)NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000589901849 460158142 /nfs/dbraw/zinc/15/81/42/460158142.db2.gz YSLOGSBYRXRQOE-AWEZNQCLSA-N 0 3 348.447 3.004 20 5 EGBDHN Cc1ncc([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000602956938 460201491 /nfs/dbraw/zinc/20/14/91/460201491.db2.gz QEGSRJVAWMFTGR-NSHDSACASA-N 0 3 348.428 3.348 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@@H](CCO)C3)o2)c1 ZINC000611268918 460322341 /nfs/dbraw/zinc/32/23/41/460322341.db2.gz FNBCFWYLBVFBOJ-AWEZNQCLSA-N 0 3 330.384 3.449 20 5 EGBDHN CN1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)[C@@H]2C1 ZINC000611510176 460383269 /nfs/dbraw/zinc/38/32/69/460383269.db2.gz CDNMZPIWBUKPTQ-CZUORRHYSA-N 0 3 333.432 3.303 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc4[nH]ccc4c3)CC2)n1 ZINC000600156839 460412778 /nfs/dbraw/zinc/41/27/78/460412778.db2.gz WMOMKFAVQHBGEN-UHFFFAOYSA-N 0 3 325.372 3.110 20 5 EGBDHN Cc1ccncc1[C@@H](C)NCCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000611940116 460493766 /nfs/dbraw/zinc/49/37/66/460493766.db2.gz SLHILIRVHAYYJI-CQSZACIVSA-N 0 3 342.399 3.286 20 5 EGBDHN O=C(CN[C@@H]1CCC[C@@H]1c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000155107183 534595188 /nfs/dbraw/zinc/59/51/88/534595188.db2.gz RBIWFQIFYLYIBA-HZPDHXFCSA-N 0 3 339.395 3.459 20 5 EGBDHN Cc1ccc2oc(CNC[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2c1 ZINC000740007412 576530905 /nfs/dbraw/zinc/53/09/05/576530905.db2.gz SIOYWNZFLQIMAB-QGZVFWFLSA-N 0 3 326.352 3.473 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2ccc(CN(C)C)cc2)c1 ZINC000743331599 576805875 /nfs/dbraw/zinc/80/58/75/576805875.db2.gz SYHKIMQQWJEODB-UHFFFAOYSA-N 0 3 341.411 3.237 20 5 EGBDHN CCN(CCOc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(C)cc1 ZINC000743866137 576817707 /nfs/dbraw/zinc/81/77/07/576817707.db2.gz HVWTWJMIUQOCTF-SFHVURJKSA-N 0 3 344.411 3.338 20 5 EGBDHN CC1CCC(N(C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000054513929 1291754804 /nfs/dbraw/zinc/75/48/04/1291754804.db2.gz IWONYOVZVWWWPO-UHFFFAOYSA-N 0 3 329.404 3.321 20 5 EGBDHN C[C@@H]1CCC[C@@H](N(C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000075666639 1292405196 /nfs/dbraw/zinc/40/51/96/1292405196.db2.gz GKYOOEWUWMKDEN-CZUORRHYSA-N 0 3 329.404 3.321 20 5 EGBDHN C[C@]1(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1(Cl)Cl ZINC000828310746 1292453908 /nfs/dbraw/zinc/45/39/08/1292453908.db2.gz GNTOYNLOHCYRHC-GXFFZTMASA-N 0 3 345.230 3.060 20 5 EGBDHN O=[N+]([O-])c1ccc(Br)cc1N[C@@H]1CCN(C2CC2)C1 ZINC000087834397 1292747061 /nfs/dbraw/zinc/74/70/61/1292747061.db2.gz XFOPERQHZZNXPE-SNVBAGLBSA-N 0 3 326.194 3.006 20 5 EGBDHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC000122475811 1293414340 /nfs/dbraw/zinc/41/43/40/1293414340.db2.gz RQRCMTOIRNOYBX-AWEZNQCLSA-N 0 3 335.404 3.084 20 5 EGBDHN C[C@H](NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1cccc(O)c1 ZINC000129813908 1293635914 /nfs/dbraw/zinc/63/59/14/1293635914.db2.gz HOGJWNVXRSAPEG-NSHDSACASA-N 0 3 347.346 3.119 20 5 EGBDHN CN(Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172748961 1294443509 /nfs/dbraw/zinc/44/35/09/1294443509.db2.gz UVCFGRLXWTTWSB-AWEZNQCLSA-N 0 3 349.431 3.284 20 5 EGBDHN C[C@H]1CCC[C@H](C)N(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000172919770 1294448987 /nfs/dbraw/zinc/44/89/87/1294448987.db2.gz CWZNBCLWQFUEMD-KBPBESRZSA-N 0 3 329.404 3.321 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)CC[S@@](C)=O ZINC000872047945 1296699209 /nfs/dbraw/zinc/69/92/09/1296699209.db2.gz DXBGJOIWVHFBAQ-NNUHMIRASA-N 0 3 330.475 3.124 20 5 EGBDHN CCO[C@@H]1COCC[C@@H]1N[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872062388 1296709429 /nfs/dbraw/zinc/70/94/29/1296709429.db2.gz MKQMWIBPHRYRKM-BYCMXARLSA-N 0 3 340.445 3.161 20 5 EGBDHN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNCc2csc([N+](=O)[O-])c2)C1 ZINC000715090239 1298277688 /nfs/dbraw/zinc/27/76/88/1298277688.db2.gz QDVZJJSQSDDTRG-KLPPZKSPSA-N 0 3 341.433 3.049 20 5 EGBDHN CCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C(F)(F)F)cc1 ZINC000746662712 1298636089 /nfs/dbraw/zinc/63/60/89/1298636089.db2.gz GSDKZDKUVKYRSY-UHFFFAOYSA-N 0 3 342.321 3.332 20 5 EGBDHN O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000746818811 1298666612 /nfs/dbraw/zinc/66/66/12/1298666612.db2.gz IOBKRHDCBPACQK-INIZCTEOSA-N 0 3 340.379 3.412 20 5 EGBDHN Cc1c(NC(=O)[C@@H](C)N2C[C@@H]3CC=CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000879529004 1300584503 /nfs/dbraw/zinc/58/45/03/1300584503.db2.gz GFAJDZAQJGYJCH-KFWWJZLASA-N 0 3 329.400 3.128 20 5 EGBDHN O=[N+]([O-])c1ccc(CNCc2cccc(-n3cncn3)c2)cc1Cl ZINC000761525485 1301490285 /nfs/dbraw/zinc/49/02/85/1301490285.db2.gz KMSYHKFXUNROMZ-UHFFFAOYSA-N 0 3 343.774 3.119 20 5 EGBDHN O=[N+]([O-])c1cc(Cn2cc(CNC3CCCCC3)nn2)ccc1Cl ZINC000881227070 1301495879 /nfs/dbraw/zinc/49/58/79/1301495879.db2.gz JEXWWIKTAPVWGC-UHFFFAOYSA-N 0 3 349.822 3.310 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@H](O)COc1cccc(F)c1 ZINC000765288526 1302237344 /nfs/dbraw/zinc/23/73/44/1302237344.db2.gz KAQKHGMPACIBQH-BBRMVZONSA-N 0 3 348.374 3.133 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NC[C@@H](O)COc1cccc(F)c1 ZINC000765288529 1302238281 /nfs/dbraw/zinc/23/82/81/1302238281.db2.gz KAQKHGMPACIBQH-XJKSGUPXSA-N 0 3 348.374 3.133 20 5 EGBDHN CCN(Cc1cccnc1[N+](=O)[O-])[C@H]1CCN(Cc2ccccc2)C1 ZINC000886133909 1303367571 /nfs/dbraw/zinc/36/75/71/1303367571.db2.gz FIYUYFLGJHJLNW-SFHVURJKSA-N 0 3 340.427 3.086 20 5 EGBDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000776586883 1304176288 /nfs/dbraw/zinc/17/62/88/1304176288.db2.gz RJXPBXFCEYRRAJ-ROUUACIJSA-N 0 3 327.384 3.169 20 5 EGBDHN O=[N+]([O-])c1ccnn1CN1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000776773827 1304197087 /nfs/dbraw/zinc/19/70/87/1304197087.db2.gz BKVDHMCENSTOSG-ZACQAIPSSA-N 0 3 326.400 3.407 20 5 EGBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CC[C@H]3SCCS[C@@H]23)c(F)c1 ZINC000778105808 1304396654 /nfs/dbraw/zinc/39/66/54/1304396654.db2.gz HZZXWZLMLDSEAV-MCIONIFRSA-N 0 3 328.434 3.203 20 5 EGBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H](O)CCc1ccccc1 ZINC000784679650 1305271732 /nfs/dbraw/zinc/27/17/32/1305271732.db2.gz KFKZXKRAFOALAA-MRXNPFEDSA-N 0 3 334.803 3.332 20 5 EGBDHN Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1F ZINC000790247569 1306282256 /nfs/dbraw/zinc/28/22/56/1306282256.db2.gz TTWRXVZHLPSHCA-QWHCGFSZSA-N 0 3 337.395 3.035 20 5 EGBDHN CN(CCc1cccc([N+](=O)[O-])c1)Cc1cnn(CC2CCC2)c1 ZINC000894274050 1306316245 /nfs/dbraw/zinc/31/62/45/1306316245.db2.gz XSYKULOKLSACPN-UHFFFAOYSA-N 0 3 328.416 3.266 20 5 EGBDHN CCn1cc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c(C)n1 ZINC000894724156 1309037844 /nfs/dbraw/zinc/03/78/44/1309037844.db2.gz TUOXDVXVDJWJEU-INIZCTEOSA-N 0 3 328.416 3.499 20 5 EGBDHN CO[C@@H]1CCOC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000897891379 1310507212 /nfs/dbraw/zinc/50/72/12/1310507212.db2.gz DAPULBJDVSHFDO-GDBMZVCRSA-N 0 3 348.424 3.217 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](CCO)Cc1ccccc1 ZINC000799350059 1310533697 /nfs/dbraw/zinc/53/36/97/1310533697.db2.gz NWIFVFKDLRYTRM-KRWDZBQOSA-N 0 3 344.411 3.077 20 5 EGBDHN CC[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000800862932 1310821788 /nfs/dbraw/zinc/82/17/88/1310821788.db2.gz BPTSWJOPNVZMOA-QGZVFWFLSA-N 0 3 340.427 3.278 20 5 EGBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1CCCCCC1 ZINC001020021817 1317504627 /nfs/dbraw/zinc/50/46/27/1317504627.db2.gz FYBFJBDSQGZWDO-QAQDUYKDSA-N 0 3 345.443 3.302 20 5 EGBDHN CC1(C)C(C(=O)N[C@H]2C[C@H](NCc3ccccc3[N+](=O)[O-])C2)C1(C)C ZINC001020053169 1317519994 /nfs/dbraw/zinc/51/99/94/1317519994.db2.gz AGVMACFTZICYGQ-HDJSIYSDSA-N 0 3 345.443 3.014 20 5 EGBDHN CCOc1ccc([C@@H](C)N[C@@H]2Cc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000903440518 1317699898 /nfs/dbraw/zinc/69/98/98/1317699898.db2.gz PAHSCPQENSAKED-SMNXXWJPSA-N 0 3 342.395 3.302 20 5 EGBDHN C[C@@H]1C[C@@H](NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccccc2O1 ZINC000819342154 1319704386 /nfs/dbraw/zinc/70/43/86/1319704386.db2.gz OIUKGJXOPVXOHV-JLZZUVOBSA-N 0 3 328.368 3.130 20 5 EGBDHN C[C@H](c1ccncc1)N1CCC(Nc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000819922847 1319803318 /nfs/dbraw/zinc/80/33/18/1319803318.db2.gz MTHCUWTWVWBYFS-CYBMUJFWSA-N 0 3 341.415 3.210 20 5 EGBDHN COc1cc(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)c([N+](=O)[O-])cc1[O-] ZINC000824971555 1320300764 /nfs/dbraw/zinc/30/07/64/1320300764.db2.gz UBCNRBAFXISBAV-ZDUSSCGKSA-N 0 3 349.214 3.373 20 5 EGBDHN C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000838963879 1320843854 /nfs/dbraw/zinc/84/38/54/1320843854.db2.gz DOCICWLSZMKMFB-TTZKWOQHSA-N 0 3 333.262 3.197 20 5 EGBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1NCCc2ccccc21 ZINC000841069090 1321213180 /nfs/dbraw/zinc/21/31/80/1321213180.db2.gz NHJPXGSYMUVLHD-MRXNPFEDSA-N 0 3 331.803 3.225 20 5 EGBDHN CC(C)(C)[S@@](=O)CCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000841765114 1321309283 /nfs/dbraw/zinc/30/92/83/1321309283.db2.gz VKNVOHWAMVBPQP-HJPURHCSSA-N 0 3 338.473 3.499 20 5 EGBDHN COCCN1[C@H](C)CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000843425926 1321516710 /nfs/dbraw/zinc/51/67/10/1321516710.db2.gz KCINCKWWJCFMAS-JOQXAKKRSA-N 0 3 347.459 3.039 20 5 EGBDHN Cc1ccccc1OCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845871900 1321747246 /nfs/dbraw/zinc/74/72/46/1321747246.db2.gz BLBOQDKXJSJQMG-SCLBCKFNSA-N 0 3 347.342 3.463 20 5 EGBDHN CC([C@@H](OC(=O)CC[C@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845874472 1321747925 /nfs/dbraw/zinc/74/79/25/1321747925.db2.gz ITORCJBIYQGLCW-XHBSWPGZSA-N 0 3 325.336 3.034 20 5 EGBDHN CC(C)c1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n[nH]1 ZINC000845873758 1321748063 /nfs/dbraw/zinc/74/80/63/1321748063.db2.gz FXQVWQLCBDJLRC-ZUZCIYMTSA-N 0 3 335.335 3.236 20 5 EGBDHN CC([C@H](OC(=O)c1cc(Cl)cn1C)c1ccccc1F)[N+](=O)[O-] ZINC000845873330 1321748095 /nfs/dbraw/zinc/74/80/95/1321748095.db2.gz SSAPUSMUXIFGPH-OTYXRUKQSA-N 0 3 340.738 3.381 20 5 EGBDHN CCc1ncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])s1 ZINC000845877489 1321749326 /nfs/dbraw/zinc/74/93/26/1321749326.db2.gz SEMOPICZHDYKGD-XPTSAGLGSA-N 0 3 338.360 3.408 20 5 EGBDHN CCc1ncsc1C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845877527 1321749833 /nfs/dbraw/zinc/74/98/33/1321749833.db2.gz QFFVUTZLFSFLIG-RNCFNFMXSA-N 0 3 338.360 3.408 20 5 EGBDHN CC([C@@H](OC(=O)CCc1cccnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845880590 1321750110 /nfs/dbraw/zinc/75/01/10/1321750110.db2.gz WVEJGRDTQBTCMQ-SJKOYZFVSA-N 0 3 332.331 3.103 20 5 EGBDHN CC([C@H](OC(=O)C1SCCCS1)c1ccccc1F)[N+](=O)[O-] ZINC000845882557 1321750128 /nfs/dbraw/zinc/75/01/28/1321750128.db2.gz VQMXIPYIODPNSB-CABZTGNLSA-N 0 3 345.417 3.271 20 5 EGBDHN CCc1cccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845883813 1321750872 /nfs/dbraw/zinc/75/08/72/1321750872.db2.gz WFAFQXAUZJSYHJ-BDJLRTHQSA-N 0 3 332.331 3.346 20 5 EGBDHN Cc1nn(C)c(CNCCCCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000921779708 1322397394 /nfs/dbraw/zinc/39/73/94/1322397394.db2.gz MGNBGJOGWKKZJO-UHFFFAOYSA-N 0 3 336.823 3.403 20 5 EGBDHN CN(Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)C2(C)CC2)CC1 ZINC001029967896 1341137649 /nfs/dbraw/zinc/13/76/49/1341137649.db2.gz YPSZUYQYXAFCHA-UHFFFAOYSA-N 0 3 345.443 3.065 20 5 EGBDHN Cc1cncc([N+](=O)[O-])c1NC[C@@H](c1ccc(Cl)cc1)N(C)C ZINC001323134546 1387299413 /nfs/dbraw/zinc/29/94/13/1387299413.db2.gz BDVICCQAERCWPE-AWEZNQCLSA-N 0 3 334.807 3.088 20 5 EGBDHN C=C/C(C)=C/CC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001202054201 1369676956 /nfs/dbraw/zinc/67/69/56/1369676956.db2.gz NJGGDGBMOIZYNT-YIXHJXPBSA-N 0 3 349.456 3.259 20 5 EGBDHN CN1CCN(Cc2ccc(Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC001204456929 1370482433 /nfs/dbraw/zinc/48/24/33/1370482433.db2.gz QPYICGIPWBBUES-UHFFFAOYSA-N 0 3 326.400 3.086 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(O[C@H]2CNCc3ccccc32)cc1[N+](=O)[O-] ZINC001218492597 1373625576 /nfs/dbraw/zinc/62/55/76/1373625576.db2.gz ZKKVLNQPMSDVDB-INIZCTEOSA-N 0 3 329.312 3.035 20 5 EGBDHN Cc1cc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC001133244935 1375865545 /nfs/dbraw/zinc/86/55/45/1375865545.db2.gz SLKQMHDCNBVMTJ-UHFFFAOYSA-N 0 3 347.802 3.076 20 5 EGBDHN Cc1cc(Cl)ccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001133249133 1375869134 /nfs/dbraw/zinc/86/91/34/1375869134.db2.gz ZALCKSWGVWXRCV-UHFFFAOYSA-N 0 3 347.802 3.076 20 5 EGBDHN CCc1sc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)cc1C ZINC001150317345 1379532525 /nfs/dbraw/zinc/53/25/25/1379532525.db2.gz RLFZRRAIWWJNIC-UHFFFAOYSA-N 0 3 347.440 3.047 20 5 EGBDHN Cc1cc(Cl)nc(N2CCNC[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC001156098932 1380525529 /nfs/dbraw/zinc/52/55/29/1380525529.db2.gz TUWICHJPULGXJS-JTQLQIEISA-N 0 3 338.820 3.164 20 5 EGBDHN O=[N+]([O-])c1cc([O-])cc(Nc2ccc(N3CC[NH2+]CC3)c(Cl)c2)c1 ZINC001159859292 1381922308 /nfs/dbraw/zinc/92/23/08/1381922308.db2.gz SUNPDYPBLBNPAI-UHFFFAOYSA-N 0 3 348.790 3.107 20 5 EGBDHN O=[N+]([O-])c1cc([O-])cc(Nc2ccc(O[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC001159949488 1381947247 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COc1ccc(C[C@@H](C)NCc2cccc(Cl)n2)c([N+](=O)[O-])c1 ZINC001170307827 1384287705 /nfs/dbraw/zinc/28/77/05/1384287705.db2.gz IMAHKLUZVMZTOE-LLVKDONJSA-N 0 3 335.791 3.373 20 5 EGBDHN CCOC(=O)C1=C(Nc2cc3cccnc3c3ncccc23)CCNC1 ZINC001170520279 1384334387 /nfs/dbraw/zinc/33/43/87/1384334387.db2.gz FOXMSIVZNBNQBW-UHFFFAOYSA-N 0 3 348.406 3.005 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H](C)c2ccccn2)c1F ZINC001173176648 1384931692 /nfs/dbraw/zinc/93/16/92/1384931692.db2.gz LEPPERHNENZPHR-RYUDHWBXSA-N 0 3 333.363 3.419 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC[C@@H](OC)CC2)c1F ZINC001173197358 1384934085 /nfs/dbraw/zinc/93/40/85/1384934085.db2.gz UKCWBFUIOAIKHQ-QWHCGFSZSA-N 0 3 340.395 3.174 20 5 EGBDHN COc1ccc(C(=O)CN[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173213932 1384936866 /nfs/dbraw/zinc/93/68/66/1384936866.db2.gz JJAVJFIMVVLEPH-ZDUSSCGKSA-N 0 3 328.368 3.007 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)c1cc(F)cc(F)c1 ZINC001173218210 1384937756 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EGBDHN COc1c(O)ccc(CN[C@@H]2C[C@@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001333743800 1390390518 /nfs/dbraw/zinc/39/05/18/1390390518.db2.gz YKSXJLQNQNEQAU-LSDHHAIUSA-N 0 3 328.368 3.030 20 5 EGBDHN Cc1cc(CCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])no1 ZINC001344013933 1390750015 /nfs/dbraw/zinc/75/00/15/1390750015.db2.gz UYYIBJQBJJOWGJ-MEDUHNTESA-N 0 3 336.319 3.004 20 5 EGBDHN CCN(CC)[C@H](CNc1c(C)cncc1[N+](=O)[O-])c1ccsc1 ZINC001346019291 1390901400 /nfs/dbraw/zinc/90/14/00/1390901400.db2.gz ZMHOFAOEGQGLCK-CQSZACIVSA-N 0 3 334.445 3.277 20 5 EGBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@H](C)CN1C ZINC000351508911 719252837 /nfs/dbraw/zinc/25/28/37/719252837.db2.gz JIZDXYCYPBDLOS-ZIAGYGMSSA-N 0 3 326.400 3.186 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(CC1CCC1)C(C)C ZINC000193201808 240055900 /nfs/dbraw/zinc/05/59/00/240055900.db2.gz XJJIXHQRKJUTBJ-UHFFFAOYSA-N 0 3 335.404 3.052 20 5 EGBDHN COc1ccc(CNC[C@H](O)c2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000266512093 248339429 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3.446 20 5 EGBDHN CC(C)c1ccc(CNCCc2cn3c(n2)SCC3)cc1[N+](=O)[O-] ZINC000341548061 155345735 /nfs/dbraw/zinc/34/57/35/155345735.db2.gz OUBUYLPDKVEOLS-UHFFFAOYSA-N 0 3 346.456 3.353 20 5 EGBDHN COc1ccc([C@H]2CCCCCN2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157482625 286377564 /nfs/dbraw/zinc/37/75/64/286377564.db2.gz FYFRRLSUMGBGFK-GOSISDBHSA-N 0 3 344.415 3.417 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000309678244 154139881 /nfs/dbraw/zinc/13/98/81/154139881.db2.gz XYYAACPZURUVSU-AWEZNQCLSA-N 0 3 332.791 3.330 20 5 EGBDHN O=[N+]([O-])c1ccc2[nH]c(CN[C@H]3CCCC[C@H]3OC(F)F)nc2c1 ZINC000337377748 154318482 /nfs/dbraw/zinc/31/84/82/154318482.db2.gz BXOYGUIKGXAADG-WCQYABFASA-N 0 3 340.330 3.111 20 5 EGBDHN COCc1cc([N+](=O)[O-])ccc1NCCN(C)Cc1ccc(F)cc1 ZINC000362131768 157036909 /nfs/dbraw/zinc/03/69/09/157036909.db2.gz ZESNUNYRKYOJOU-UHFFFAOYSA-N 0 3 347.390 3.424 20 5 EGBDHN COc1ccc(-c2ccc(CNCC3(O)CCCC3)o2)c([N+](=O)[O-])c1 ZINC000111385343 162154286 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EGBDHN COc1cccc(NC[C@H](C)N2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000355331779 166165976 /nfs/dbraw/zinc/16/59/76/166165976.db2.gz NCBOGSAXKQLBLG-AWEZNQCLSA-N 0 3 341.411 3.462 20 5 EGBDHN CC(C)[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000359133539 167077641 /nfs/dbraw/zinc/07/76/41/167077641.db2.gz YOGURKOTPBEPEN-SFHVURJKSA-N 0 3 347.459 3.106 20 5 EGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccco1 ZINC000359538178 167184390 /nfs/dbraw/zinc/18/43/90/167184390.db2.gz HEPFYBYUEGKPMB-TZMCWYRMSA-N 0 3 331.372 3.047 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(NC[C@@H](C)N2CCc3ccccc3C2)c1 ZINC000360516353 167347123 /nfs/dbraw/zinc/34/71/23/167347123.db2.gz FCDNDXVUBZPHRC-CQSZACIVSA-N 0 3 341.411 3.462 20 5 EGBDHN CCN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1cccc(O)c1 ZINC000269628091 266330468 /nfs/dbraw/zinc/33/04/68/266330468.db2.gz DGFHNKYNYCUUTF-FZKQIMNGSA-N 0 3 330.384 3.417 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000269680368 266339499 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Cc1ccc(NC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000043147139 454044714 /nfs/dbraw/zinc/04/47/14/454044714.db2.gz KLYUHVPFVWGIFY-GXTWGEPZSA-N 0 3 334.420 3.145 20 5 EGBDHN CC1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043341518 454056934 /nfs/dbraw/zinc/05/69/34/454056934.db2.gz HDIWXPYSUWZLCU-UHFFFAOYSA-N 0 3 340.811 3.102 20 5 EGBDHN CCc1ccc([C@H](CNC(=O)c2csc([N+](=O)[O-])c2)N(C)C)cc1 ZINC000044314609 454096775 /nfs/dbraw/zinc/09/67/75/454096775.db2.gz PVZISGWHYANFLR-HNNXBMFYSA-N 0 3 347.440 3.251 20 5 EGBDHN Cc1c(NC(=O)NC[C@H](C)N2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000045960161 454201169 /nfs/dbraw/zinc/20/11/69/454201169.db2.gz OZDQCAAREGXWOH-STQMWFEESA-N 0 3 334.420 3.288 20 5 EGBDHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000090201612 454293107 /nfs/dbraw/zinc/29/31/07/454293107.db2.gz WUAQKMQYIKEOLS-AWEZNQCLSA-N 0 3 335.404 3.084 20 5 EGBDHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000072728255 454334746 /nfs/dbraw/zinc/33/47/46/454334746.db2.gz PNGDDGGSRVEGDS-UHFFFAOYSA-N 0 3 342.399 3.191 20 5 EGBDHN Cc1c(CN(CCO)[C@@H]2CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000074311932 454560709 /nfs/dbraw/zinc/56/07/09/454560709.db2.gz VGXJHFPHAXWIGE-LJQANCHMSA-N 0 3 326.396 3.385 20 5 EGBDHN C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCS1 ZINC000104695340 454596674 /nfs/dbraw/zinc/59/66/74/454596674.db2.gz AXMNNHXSPCOSKC-GFCCVEGCSA-N 0 3 333.413 3.230 20 5 EGBDHN CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000051050744 454605998 /nfs/dbraw/zinc/60/59/98/454605998.db2.gz KRRPEVCQKAOUAH-YOEHRIQHSA-N 0 3 347.459 3.420 20 5 EGBDHN Cc1cc(N2CC[C@@H](N(C)Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000074767825 454632616 /nfs/dbraw/zinc/63/26/16/454632616.db2.gz ZJPUHTBWVROQDG-MRXNPFEDSA-N 0 3 326.400 3.009 20 5 EGBDHN CCc1oc2ccccc2c1CN(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176198542 454710594 /nfs/dbraw/zinc/71/05/94/454710594.db2.gz UBEHURIPNSQMGA-UHFFFAOYSA-N 0 3 328.372 3.232 20 5 EGBDHN O=C(CCN1CCCc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000106888254 454728377 /nfs/dbraw/zinc/72/83/77/454728377.db2.gz YLUHOEYIQZRNDI-UHFFFAOYSA-N 0 3 339.395 3.372 20 5 EGBDHN CC[C@H]1CCCCN1CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176504651 454752931 /nfs/dbraw/zinc/75/29/31/454752931.db2.gz QWTLALLFJKTAFY-LBPRGKRZSA-N 0 3 339.823 3.243 20 5 EGBDHN CC[C@@H](NC(=O)N(C)C[C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000176687328 454771817 /nfs/dbraw/zinc/77/18/17/454771817.db2.gz LSTKSJOPFGRLRK-RHSMWYFYSA-N 0 3 348.447 3.029 20 5 EGBDHN CCC1(CC)[C@H](NCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1OC ZINC000191384458 455481890 /nfs/dbraw/zinc/48/18/90/455481890.db2.gz JAJVAXFTYAHNCW-HZPDHXFCSA-N 0 3 349.431 3.025 20 5 EGBDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000154466767 454899611 /nfs/dbraw/zinc/89/96/11/454899611.db2.gz CBCFNVUMWOQVFQ-ROUUACIJSA-N 0 3 327.384 3.169 20 5 EGBDHN C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000150876428 454906796 /nfs/dbraw/zinc/90/67/96/454906796.db2.gz AGSZKKNLBYYFOJ-RDJZCZTQSA-N 0 3 340.427 3.479 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000127872411 455005292 /nfs/dbraw/zinc/00/52/92/455005292.db2.gz FNSUUDFJHAMQKN-JSGCOSHPSA-N 0 3 348.447 3.454 20 5 EGBDHN COC(=O)[C@]1(C)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180080018 455128348 /nfs/dbraw/zinc/12/83/48/455128348.db2.gz UPWGLXONLLIBKW-GOSISDBHSA-N 0 3 344.367 3.240 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@]4(CCOC4)C3)o2)cc1 ZINC000180135776 455137629 /nfs/dbraw/zinc/13/76/29/455137629.db2.gz OMYYUEIYNLBUQB-SFHVURJKSA-N 0 3 328.368 3.467 20 5 EGBDHN C[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000245443723 455301281 /nfs/dbraw/zinc/30/12/81/455301281.db2.gz JAXOQFKOJDUQFC-CKEIUWERSA-N 0 3 331.416 3.211 20 5 EGBDHN CC[C@@H](C)CN(CC)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000245762527 455374732 /nfs/dbraw/zinc/37/47/32/455374732.db2.gz ISYHZRHGNVJWTO-CHWSQXEVSA-N 0 3 337.420 3.298 20 5 EGBDHN C[C@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000266852846 455463234 /nfs/dbraw/zinc/46/32/34/455463234.db2.gz JHEHYCBYCWFZGQ-ZFWWWQNUSA-N 0 3 332.375 3.236 20 5 EGBDHN CCN(CC)C(=O)CCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000182566385 455542670 /nfs/dbraw/zinc/54/26/70/455542670.db2.gz IKQHKWNMFDTMCA-UHFFFAOYSA-N 0 3 347.459 3.455 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(CN2CCOCC2)CC1 ZINC000182660747 455563013 /nfs/dbraw/zinc/56/30/13/455563013.db2.gz KXHHSRSAXYAVAR-INIZCTEOSA-N 0 3 347.459 3.008 20 5 EGBDHN Cc1ccc([C@H](C)N[C@@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000271497636 455660477 /nfs/dbraw/zinc/66/04/77/455660477.db2.gz LRDLXAXCMDGEEE-SUMWQHHRSA-N 0 3 332.375 3.297 20 5 EGBDHN C[C@@H]1C[C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271530208 455674038 /nfs/dbraw/zinc/67/40/38/455674038.db2.gz RGRXJENUZGHBOA-GHMZBOCLSA-N 0 3 330.331 3.101 20 5 EGBDHN C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H]2CCCC[C@H]21 ZINC000248419666 455714708 /nfs/dbraw/zinc/71/47/08/455714708.db2.gz LEEWECDXNOLMSF-OAUYIBNBSA-N 0 3 332.400 3.472 20 5 EGBDHN O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCOC3(CCC3)C2)c1 ZINC000268951948 455742045 /nfs/dbraw/zinc/74/20/45/455742045.db2.gz DQUBQZYYQLLJKV-GFCCVEGCSA-N 0 3 342.342 3.388 20 5 EGBDHN COc1cc(CN[C@H]2CCCO[C@@H]2CC(C)C)c([N+](=O)[O-])cc1F ZINC000186400971 455760994 /nfs/dbraw/zinc/76/09/94/455760994.db2.gz KFAQLAOUZRTZNP-WMLDXEAASA-N 0 3 340.395 3.426 20 5 EGBDHN C[C@@H](CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)N1CCC[C@H](C)C1 ZINC000193959002 455787811 /nfs/dbraw/zinc/78/78/11/455787811.db2.gz JJRPWEGEHSJJEG-STQMWFEESA-N 0 3 346.431 3.012 20 5 EGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000285721305 455904038 /nfs/dbraw/zinc/90/40/38/455904038.db2.gz ILKAGOCZUXMENH-IUODEOHRSA-N 0 3 343.383 3.040 20 5 EGBDHN Cc1c([C@@H](C)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000285738187 455907235 /nfs/dbraw/zinc/90/72/35/455907235.db2.gz REWGBXTWYSCDIF-SUYBPPKGSA-N 0 3 333.432 3.247 20 5 EGBDHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000272373050 455930419 /nfs/dbraw/zinc/93/04/19/455930419.db2.gz AZEKULIIDQWXPM-ZFWWWQNUSA-N 0 3 349.431 3.330 20 5 EGBDHN Cc1ccnc(NCCCN2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000301300330 456084358 /nfs/dbraw/zinc/08/43/58/456084358.db2.gz QSZHKDMDUWXEAC-UHFFFAOYSA-N 0 3 326.400 3.159 20 5 EGBDHN Cc1cc(NCCCO[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272899615 456106622 /nfs/dbraw/zinc/10/66/22/456106622.db2.gz ZQILCHDCCAOCFP-AWEZNQCLSA-N 0 3 331.372 3.059 20 5 EGBDHN Cc1ccnc(N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301437989 456115371 /nfs/dbraw/zinc/11/53/71/456115371.db2.gz NIZQWLOHZJDOGD-QGZVFWFLSA-N 0 3 340.427 3.399 20 5 EGBDHN Cc1cc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301610525 456160818 /nfs/dbraw/zinc/16/08/18/456160818.db2.gz CPCCRNVZMMUGBK-ZBFHGGJFSA-N 0 3 326.400 3.373 20 5 EGBDHN Cc1ccccc1C[C@@H](CO)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000188918619 456170167 /nfs/dbraw/zinc/17/01/67/456170167.db2.gz OSRAWIGZPOXSKB-OPUMOTSWSA-N 0 3 326.396 3.110 20 5 EGBDHN Cc1nc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000301639974 456172051 /nfs/dbraw/zinc/17/20/51/456172051.db2.gz GFPKUVOKVKZPMY-CJNGLKHVSA-N 0 3 326.400 3.373 20 5 EGBDHN CN(C)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000301727409 456199500 /nfs/dbraw/zinc/19/95/00/456199500.db2.gz BGBRINVEZXRWQD-CQSZACIVSA-N 0 3 338.770 3.497 20 5 EGBDHN CN(CCNc1ncc(Cl)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000301741176 456202642 /nfs/dbraw/zinc/20/26/42/456202642.db2.gz KWVDNFWRDUCLDN-UHFFFAOYSA-N 0 3 338.770 3.326 20 5 EGBDHN CCc1ccc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000237140384 456237959 /nfs/dbraw/zinc/23/79/59/456237959.db2.gz VVUGFGDCMSFBCQ-MRXNPFEDSA-N 0 3 326.400 3.239 20 5 EGBDHN CCC(=O)c1ccc(NCCCN2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000281560883 456265716 /nfs/dbraw/zinc/26/57/16/456265716.db2.gz UNSASVAULHRREO-CQSZACIVSA-N 0 3 349.431 3.100 20 5 EGBDHN CCN1CCC(NC(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 ZINC000275418464 456274229 /nfs/dbraw/zinc/27/42/29/456274229.db2.gz DJVONOXHZRSTPD-UHFFFAOYSA-N 0 3 349.434 3.308 20 5 EGBDHN CS[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1N(C)C ZINC000340198319 456309966 /nfs/dbraw/zinc/30/99/66/456309966.db2.gz AUPUMOFXBASEFF-OLZOCXBDSA-N 0 3 349.378 3.095 20 5 EGBDHN Cc1nc(N[C@H]2CN(Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000302188783 456310642 /nfs/dbraw/zinc/31/06/42/456310642.db2.gz XLLGSAQPXBZJTI-CJNGLKHVSA-N 0 3 326.400 3.231 20 5 EGBDHN Cc1cc(C(=O)Nc2ccccc2CCN(C)C)cc([N+](=O)[O-])c1 ZINC000275894315 456345247 /nfs/dbraw/zinc/34/52/47/456345247.db2.gz SMNNYURZAUJDPN-UHFFFAOYSA-N 0 3 327.384 3.260 20 5 EGBDHN CC(C)c1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000275911302 456348520 /nfs/dbraw/zinc/34/85/20/456348520.db2.gz WENIQQHYWRGXRD-MRXNPFEDSA-N 0 3 345.443 3.419 20 5 EGBDHN C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000281913224 456358567 /nfs/dbraw/zinc/35/85/67/456358567.db2.gz NNOBBKLHYPDGIA-TZMCWYRMSA-N 0 3 332.429 3.374 20 5 EGBDHN COc1ccncc1CN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000340402410 456439053 /nfs/dbraw/zinc/43/90/53/456439053.db2.gz FSDLVVFEIVUEAF-RHSMWYFYSA-N 0 3 341.411 3.499 20 5 EGBDHN CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N(C)C ZINC000343170026 456449256 /nfs/dbraw/zinc/44/92/56/456449256.db2.gz BLDLFEMBFQCQLN-GFCCVEGCSA-N 0 3 339.461 3.023 20 5 EGBDHN COc1cc(CN[C@H]2CC2(C)C)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000340421360 456450532 /nfs/dbraw/zinc/45/05/32/456450532.db2.gz VIZAWBJXIRCACZ-ZDUSSCGKSA-N 0 3 348.321 3.433 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000276379142 456463432 /nfs/dbraw/zinc/46/34/32/456463432.db2.gz FWLWCZQMWMMWAX-HNNXBMFYSA-N 0 3 346.431 3.304 20 5 EGBDHN COCCCN1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276544782 456510554 /nfs/dbraw/zinc/51/05/54/456510554.db2.gz DNGZETJWFSPWBE-UHFFFAOYSA-N 0 3 344.415 3.056 20 5 EGBDHN C[C@H](CO)N(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000276593150 456524370 /nfs/dbraw/zinc/52/43/70/456524370.db2.gz QEWNTJRUMFLLLQ-CYBMUJFWSA-N 0 3 345.399 3.375 20 5 EGBDHN CCO[C@@H]1COCC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353158549 456529567 /nfs/dbraw/zinc/52/95/67/456529567.db2.gz WKFFIMSRNCDYJL-SJLPKXTDSA-N 0 3 346.383 3.138 20 5 EGBDHN O=[N+]([O-])c1ccc(CN2CCC[C@](CO)(Cc3ccccc3)C2)cc1 ZINC000291233550 456574297 /nfs/dbraw/zinc/57/42/97/456574297.db2.gz KNZCFYNSMDPQLV-FQEVSTJZSA-N 0 3 340.423 3.412 20 5 EGBDHN COc1cc(N[C@H]2CCN(Cc3ccccc3)C2)c(F)cc1[N+](=O)[O-] ZINC000310752616 456583105 /nfs/dbraw/zinc/58/31/05/456583105.db2.gz ISKCFZGNXVVGCG-AWEZNQCLSA-N 0 3 345.374 3.429 20 5 EGBDHN CC(C)N(C)c1ccc(CNCCc2ccccc2[N+](=O)[O-])cn1 ZINC000276948388 456628634 /nfs/dbraw/zinc/62/86/34/456628634.db2.gz IOBOGPXQVONLBE-UHFFFAOYSA-N 0 3 328.416 3.167 20 5 EGBDHN Cc1cc(NCCc2c[nH]c3ncccc23)c2cc([N+](=O)[O-])ccc2n1 ZINC000340819072 456701793 /nfs/dbraw/zinc/70/17/93/456701793.db2.gz HVFFJWRWWYCXOJ-UHFFFAOYSA-N 0 3 347.378 3.404 20 5 EGBDHN Cc1ccc(C)c(OC[C@@H](O)CNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000327568194 456707631 /nfs/dbraw/zinc/70/76/31/456707631.db2.gz YYGAFPZJKPRQEX-KRWDZBQOSA-N 0 3 344.411 3.050 20 5 EGBDHN COC[C@@H]1CCN(Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000353608034 456799084 /nfs/dbraw/zinc/79/90/84/456799084.db2.gz DAQGGSREWOELEY-CYBMUJFWSA-N 0 3 346.383 3.332 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H](O)C(F)F)s1 ZINC000344777373 456858754 /nfs/dbraw/zinc/85/87/54/456858754.db2.gz QNFVOHUDFSYXPC-LBPRGKRZSA-N 0 3 328.340 3.039 20 5 EGBDHN COCCO[C@@H]1CCCN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000338958086 456877561 /nfs/dbraw/zinc/87/75/61/456877561.db2.gz RWSDKOJQQQPEKO-HAZIXKIPSA-N 0 3 334.416 3.126 20 5 EGBDHN COc1ccc(-c2ccc(CN3CCOC[C@@H](C)C3)o2)c([N+](=O)[O-])c1 ZINC000353743515 456884574 /nfs/dbraw/zinc/88/45/74/456884574.db2.gz XRGDCEXNOWFIJB-ZDUSSCGKSA-N 0 3 346.383 3.332 20 5 EGBDHN 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O=C(NCCN1CCC2(CCCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000619675184 460410801 /nfs/dbraw/zinc/41/08/01/460410801.db2.gz JGYXPHCAXHZGCO-UHFFFAOYSA-N 0 3 345.443 3.371 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(Cc3ccc4cc[nH]c4c3)CC2)n1 ZINC000600157087 460412902 /nfs/dbraw/zinc/41/29/02/460412902.db2.gz ZGIGKJYSSQOKKC-UHFFFAOYSA-N 0 3 325.372 3.110 20 5 EGBDHN O=[N+]([O-])c1ncccc1NCC1CCN(Cc2cccs2)CC1 ZINC000604508563 460438653 /nfs/dbraw/zinc/43/86/53/460438653.db2.gz NECNKGDWIQPMPT-UHFFFAOYSA-N 0 3 332.429 3.375 20 5 EGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2NCc2cccc(F)c2F)n1 ZINC000601302096 460781056 /nfs/dbraw/zinc/78/10/56/460781056.db2.gz GCWICUDBXMWARZ-UONOGXRCSA-N 0 3 336.342 3.343 20 5 EGBDHN CC[C@H](CN1CCCC1)NC(=O)[C@@H](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000613234228 460877235 /nfs/dbraw/zinc/87/72/35/460877235.db2.gz YBDDFUDIVIGENR-DLBZAZTESA-N 0 3 347.459 3.154 20 5 EGBDHN C[C@@H](NCCn1ccc(C(F)(F)F)n1)c1ccc([N+](=O)[O-])cc1 ZINC000601941856 460954740 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EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)CC[S@](C)=O ZINC000872047941 1296699663 /nfs/dbraw/zinc/69/96/63/1296699663.db2.gz DXBGJOIWVHFBAQ-HJTOQOCKSA-N 0 3 330.475 3.124 20 5 EGBDHN Cc1c(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000301963269 1296796001 /nfs/dbraw/zinc/79/60/01/1296796001.db2.gz QSCPUYCDWAQMNR-OAHLLOKOSA-N 0 3 349.431 3.392 20 5 EGBDHN Cc1c(CNCc2ccc(NC(=O)N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000873117677 1297279141 /nfs/dbraw/zinc/27/91/41/1297279141.db2.gz LVTSGNZKSRKFOA-UHFFFAOYSA-N 0 3 342.399 3.287 20 5 EGBDHN Cc1c(CN[C@@H](CN(C)C)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000873127543 1297284351 /nfs/dbraw/zinc/28/43/51/1297284351.db2.gz TUJWTKMUWHZMPU-KRWDZBQOSA-N 0 3 331.391 3.435 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CNCc2ccccc2OC(F)F)c1 ZINC000749663258 1299251835 /nfs/dbraw/zinc/25/18/35/1299251835.db2.gz OFXSOHJRWJFDIF-CQSZACIVSA-N 0 3 338.310 3.019 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@H]2CCCOc3ccc(F)cc32)c1 ZINC000749684337 1299255412 /nfs/dbraw/zinc/25/54/12/1299255412.db2.gz BLTUXULFOBIFLM-DLBZAZTESA-N 0 3 346.358 3.271 20 5 EGBDHN Cc1c([C@H](C)NC[C@H](O)COc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000765286077 1302238077 /nfs/dbraw/zinc/23/80/77/1302238077.db2.gz DVJPPXATBIWKCC-ZFWWWQNUSA-N 0 3 348.374 3.133 20 5 EGBDHN Cc1ccc(NC(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000765665098 1302298747 /nfs/dbraw/zinc/29/87/47/1302298747.db2.gz YXIGDKJAASOXBA-HNNXBMFYSA-N 0 3 332.404 3.042 20 5 EGBDHN COc1ccc(F)cc1[C@H](C)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848659 1302338488 /nfs/dbraw/zinc/33/84/88/1302338488.db2.gz LEJPLPPRFRWXJW-ZBEGNZNMSA-N 0 3 334.347 3.127 20 5 EGBDHN C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000770042908 1303211263 /nfs/dbraw/zinc/21/12/63/1303211263.db2.gz BVRBZPQPSGRDGA-SJCJKPOMSA-N 0 3 345.374 3.155 20 5 EGBDHN CC[C@H](N[C@@H](CO)C[C@@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000773110131 1303626254 /nfs/dbraw/zinc/62/62/54/1303626254.db2.gz VPTMXMGCYBAFRI-NZSAHSFTSA-N 0 3 344.411 3.120 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2)N(C)C)c1C ZINC000887649500 1303882758 /nfs/dbraw/zinc/88/27/58/1303882758.db2.gz WDUGREQSHIRLIZ-QGZVFWFLSA-N 0 3 341.411 3.244 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000776584325 1304175201 /nfs/dbraw/zinc/17/52/01/1304175201.db2.gz LSMLHGCABHAJFK-QZTJIDSGSA-N 0 3 344.436 3.418 20 5 EGBDHN CC(C)[C@@H]1CCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000780499091 1304700334 /nfs/dbraw/zinc/70/03/34/1304700334.db2.gz RJHNECBWGOIGIG-OAHLLOKOSA-N 0 3 329.404 3.179 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2N(C)CCCC2(C)C)c1C ZINC000890310035 1304746652 /nfs/dbraw/zinc/74/66/52/1304746652.db2.gz SVHKQYILKMMZGH-HNNXBMFYSA-N 0 3 333.432 3.062 20 5 EGBDHN CC(C)(C)Oc1cc(NC[C@H]2CN3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000785797028 1305436697 /nfs/dbraw/zinc/43/66/97/1305436697.db2.gz TZMWJQBCNXJCNM-CABCVRRESA-N 0 3 349.431 3.047 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]CC2(c3cccc(F)c3)CC2)c1[N+](=O)[O-] ZINC000892990480 1305642212 /nfs/dbraw/zinc/64/22/12/1305642212.db2.gz BSQCZIWGOAUEKP-UHFFFAOYSA-N 0 3 346.358 3.270 20 5 EGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000790577010 1306356842 /nfs/dbraw/zinc/35/68/42/1306356842.db2.gz RCLGIEZMNJWJAP-AWEZNQCLSA-N 0 3 339.823 3.098 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]C[C@@H]2CSc3ccccc32)c1[N+](=O)[O-] ZINC000894658549 1309008686 /nfs/dbraw/zinc/00/86/86/1309008686.db2.gz LSNMZNFVOFFHRQ-GFCCVEGCSA-N 0 3 346.408 3.288 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C/CNCc1cnn(CC2CCC2)c1 ZINC000897433234 1310335806 /nfs/dbraw/zinc/33/58/06/1310335806.db2.gz SMRMIXBGVYBYLD-XBXARRHUSA-N 0 3 326.400 3.394 20 5 EGBDHN O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])C1CCN(C2CC2)CC1 ZINC000801873236 1316959805 /nfs/dbraw/zinc/95/98/05/1316959805.db2.gz OJICXXKSQAESHM-UHFFFAOYSA-N 0 3 338.791 3.166 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)C1CCN(C2CC2)CC1 ZINC000801875713 1316960010 /nfs/dbraw/zinc/96/00/10/1316960010.db2.gz SQJRJEXPZYKXRD-CYBMUJFWSA-N 0 3 332.400 3.382 20 5 EGBDHN CN(C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1ccccc1 ZINC000804322192 1317218476 /nfs/dbraw/zinc/21/84/76/1317218476.db2.gz ZZNIBKNPCWYASI-OAHLLOKOSA-N 0 3 330.344 3.218 20 5 EGBDHN CN(C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])c1cccs1 ZINC000804325494 1317219622 /nfs/dbraw/zinc/21/96/22/1317219622.db2.gz WAXWCSFFIHDIEC-GFCCVEGCSA-N 0 3 336.373 3.279 20 5 EGBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CCCN1CC(F)F ZINC000858231730 1328717702 /nfs/dbraw/zinc/71/77/02/1328717702.db2.gz PHJALEOPCQVBHM-GFCCVEGCSA-N 0 3 333.766 3.067 20 5 EGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CNCCN1CC=CCC1 ZINC000811500119 1318186143 /nfs/dbraw/zinc/18/61/43/1318186143.db2.gz XRHJMORWMQNAOT-UHFFFAOYSA-N 0 3 330.215 3.253 20 5 EGBDHN C[C@H]1C[C@@H](Nc2cc(Br)ccc2[N+](=O)[O-])CN1C1CC1 ZINC000811811896 1318272536 /nfs/dbraw/zinc/27/25/36/1318272536.db2.gz HWQUGPDZEGUUNJ-GXSJLCMTSA-N 0 3 340.221 3.394 20 5 EGBDHN CC(COC(=O)c1cccc(NC(=O)C2CCCCC2)c1)[N+](=O)[O-] ZINC000813102268 1318498757 /nfs/dbraw/zinc/49/87/57/1318498757.db2.gz CZWJKEYIJGVVHT-GFCCVEGCSA-N 0 3 334.372 3.027 20 5 EGBDHN CC(C)C(=O)Nc1cc2ccccc2cc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107927 1318499881 /nfs/dbraw/zinc/49/98/81/1318499881.db2.gz ZFAWKXJRADLAQU-GFCCVEGCSA-N 0 3 344.367 3.256 20 5 EGBDHN CCc1onc(-c2ccccc2Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813105468 1318499987 /nfs/dbraw/zinc/49/99/87/1318499987.db2.gz MOWVSGOKKNEPJL-VIFPVBQESA-N 0 3 338.747 3.379 20 5 EGBDHN Cc1ccc(-n2cc(C(=O)OCC(C)[N+](=O)[O-])c(C(C)(C)C)n2)cc1 ZINC000813104463 1318500080 /nfs/dbraw/zinc/50/00/80/1318500080.db2.gz DCBOQDRSHQVVKI-CYBMUJFWSA-N 0 3 345.399 3.300 20 5 EGBDHN CC(COC(=O)c1cc2cc(Br)ccc2o1)[N+](=O)[O-] ZINC000813106784 1318501187 /nfs/dbraw/zinc/50/11/87/1318501187.db2.gz HOAYCMCPAKDLFW-ZETCQYMHSA-N 0 3 328.118 3.017 20 5 EGBDHN CC(COC(=O)c1c2c(sc1-n1cccc1)CCCC2)[N+](=O)[O-] ZINC000813115324 1318502278 /nfs/dbraw/zinc/50/22/78/1318502278.db2.gz OZNNOVRMRRRZSL-LLVKDONJSA-N 0 3 334.397 3.240 20 5 EGBDHN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000815579435 1319019537 /nfs/dbraw/zinc/01/95/37/1319019537.db2.gz MXBQEEYBGYKIOD-MNOVXSKESA-N 0 3 343.387 3.079 20 5 EGBDHN CC(COC(=O)c1cc(Br)c2ccccc2c1)[N+](=O)[O-] ZINC000816091052 1319099168 /nfs/dbraw/zinc/09/91/68/1319099168.db2.gz JCRXVOWYKUDTAL-VIFPVBQESA-N 0 3 338.157 3.424 20 5 EGBDHN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)N1CCC(C)CC1 ZINC000816908176 1319244180 /nfs/dbraw/zinc/24/41/80/1319244180.db2.gz UDRNKJLZYBFAHQ-GFCCVEGCSA-N 0 3 339.823 3.098 20 5 EGBDHN C[C@@H](NCc1cccc2c1CCCN2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817974574 1319482390 /nfs/dbraw/zinc/48/23/90/1319482390.db2.gz DVBFCHGMHXGRIN-GFCCVEGCSA-N 0 3 326.400 3.386 20 5 EGBDHN O=[N+]([O-])CCN[C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000930372190 1328844170 /nfs/dbraw/zinc/84/41/70/1328844170.db2.gz HIVSUWOKPYIVMW-CQSZACIVSA-N 0 3 332.322 3.039 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(CN(C)C)c1 ZINC000820001937 1319821202 /nfs/dbraw/zinc/82/12/02/1319821202.db2.gz FVKCBKHFRNHUCT-UHFFFAOYSA-N 0 3 343.383 3.307 20 5 EGBDHN CC(C)(C)N1CCCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000858910294 1328888948 /nfs/dbraw/zinc/88/89/48/1328888948.db2.gz SVYOJVVSNBOSRG-UHFFFAOYSA-N 0 3 339.823 3.195 20 5 EGBDHN Cc1cc(Cl)c(C(=O)N(C)[C@H]2CCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000839440452 1320921362 /nfs/dbraw/zinc/92/13/62/1320921362.db2.gz TXOYMKUMXCSOAE-LBPRGKRZSA-N 0 3 339.823 3.111 20 5 EGBDHN CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@]1(O)CCc2ccccc21 ZINC000843421506 1321516899 /nfs/dbraw/zinc/51/68/99/1321516899.db2.gz QNEAKNQGFXLRJL-QKWWCAPFSA-N 0 3 338.407 3.374 20 5 EGBDHN CC(C)(C)N1CC[C@H]1COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000845737646 1321738779 /nfs/dbraw/zinc/73/87/79/1321738779.db2.gz IEOPTOYZIZYJBL-LBPRGKRZSA-N 0 3 331.372 3.106 20 5 EGBDHN Cc1nc(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845872624 1321747220 /nfs/dbraw/zinc/74/72/20/1321747220.db2.gz KNYLWAATZNWGAX-BJOHPYRUSA-N 0 3 338.360 3.083 20 5 EGBDHN COC1CCC(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000845874277 1321747860 /nfs/dbraw/zinc/74/78/60/1321747860.db2.gz GTSWVHNNLUOOGA-PIISCBOPSA-N 0 3 339.363 3.280 20 5 EGBDHN CC([C@H](OC(=O)CC[C@H]1CCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845874469 1321748208 /nfs/dbraw/zinc/74/82/08/1321748208.db2.gz ITORCJBIYQGLCW-HSMVNMDESA-N 0 3 325.336 3.034 20 5 EGBDHN CC([C@@H](OC(=O)CN(C)c1ccccc1)c1ccccc1F)[N+](=O)[O-] ZINC000845876639 1321748727 /nfs/dbraw/zinc/74/87/27/1321748727.db2.gz NEZPOVNMAGAAHJ-SCLBCKFNSA-N 0 3 346.358 3.212 20 5 EGBDHN CC([C@H](OC(=O)[C@H]1COc2ccccc21)c1ccccc1F)[N+](=O)[O-] ZINC000845877544 1321749343 /nfs/dbraw/zinc/74/93/43/1321749343.db2.gz SLWRVWGYQHHCTF-WHCBVINPSA-N 0 3 345.326 3.251 20 5 EGBDHN CC(C)Cn1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845878845 1321749453 /nfs/dbraw/zinc/74/94/53/1321749453.db2.gz SYOALJPHODDLHQ-MLGOLLRUSA-N 0 3 349.362 3.242 20 5 EGBDHN CC([C@@H](OC(=O)CCc1cccnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845880592 1321750555 /nfs/dbraw/zinc/75/05/55/1321750555.db2.gz WVEJGRDTQBTCMQ-YVEFUNNKSA-N 0 3 332.331 3.103 20 5 EGBDHN CC([C@H](OC(=O)c1ocnc1C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845884033 1321751129 /nfs/dbraw/zinc/75/11/29/1321751129.db2.gz WNLDOCFXFFDPTG-XPTSAGLGSA-N 0 3 334.303 3.254 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@](C)(O)c1ccc(F)cc1 ZINC000850450234 1322251429 /nfs/dbraw/zinc/25/14/29/1322251429.db2.gz ZLUCKQDPQZHXAG-SGTLLEGYSA-N 0 3 348.374 3.301 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)[C@@H](O)c1ccccc1 ZINC000850469535 1322253775 /nfs/dbraw/zinc/25/37/75/1322253775.db2.gz RXELHDFCMKFKMB-ZJNRKIDTSA-N 0 3 330.384 3.376 20 5 EGBDHN CC(COC(=O)c1ccc(OC(F)(F)F)c(Cl)c1)[N+](=O)[O-] ZINC000860776997 1329354479 /nfs/dbraw/zinc/35/44/79/1329354479.db2.gz IXNXWSHIGWATJR-LURJTMIESA-N 0 3 327.642 3.061 20 5 EGBDHN C[C@H](NCc1ccc2c(c1)C[C@H](C)O2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000926918677 1327776888 /nfs/dbraw/zinc/77/68/88/1327776888.db2.gz JBXJLUDXSNVLNH-RYUDHWBXSA-N 0 3 327.384 3.351 20 5 EGBDHN C[C@@H](NC[C@@H]1CN(c2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000932179011 1329791369 /nfs/dbraw/zinc/79/13/69/1329791369.db2.gz VITSWRGUQQHFFR-DNVCBOLYSA-N 0 3 341.411 3.151 20 5 EGBDHN O=C(N[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CC1)c1ccoc1 ZINC001034593992 1342638812 /nfs/dbraw/zinc/63/88/12/1342638812.db2.gz XPKQLECALFTKOD-HDJSIYSDSA-N 0 3 349.412 3.080 20 5 EGBDHN CCOC(=O)[C@H]1CNCCN1Cc1c2ccccc2cc2ccccc21 ZINC001211361694 1372540592 /nfs/dbraw/zinc/54/05/92/1372540592.db2.gz AJUWLJDISKFUGG-OAQYLSRUSA-N 0 3 348.446 3.330 20 5 EGBDHN CC(C)(C(=O)NCCNCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC001129624924 1373404491 /nfs/dbraw/zinc/40/44/91/1373404491.db2.gz SYISQJSCRUPDBU-UHFFFAOYSA-N 0 3 333.432 3.017 20 5 EGBDHN O=[N+]([O-])c1ccc(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)nc1 ZINC001225633676 1375136596 /nfs/dbraw/zinc/13/65/96/1375136596.db2.gz RKJKXACAQVGMKK-MNZLEMJZSA-N 0 3 339.395 3.279 20 5 EGBDHN CO[C@@H]1CCN(CCOc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001225972948 1375181547 /nfs/dbraw/zinc/18/15/47/1375181547.db2.gz LSECEXLAIKOTOH-LJQANCHMSA-N 0 3 342.395 3.361 20 5 EGBDHN O=[N+]([O-])c1ccc(O[C@H]2[C@@H]3CC[C@H]2CN(Cc2ccccc2)C3)cn1 ZINC001226712547 1375314904 /nfs/dbraw/zinc/31/49/04/1375314904.db2.gz OSXNTNTZIPTFEO-MNZLEMJZSA-N 0 3 339.395 3.279 20 5 EGBDHN O=C(NCCNCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC001148870419 1379287451 /nfs/dbraw/zinc/28/74/51/1379287451.db2.gz BNIUDOHCMHEETH-UHFFFAOYSA-N 0 3 349.390 3.268 20 5 EGBDHN O=[N+]([O-])c1cccc2nc(N[C@@H]3CNCc4ccsc43)ccc21 ZINC001155560259 1380468499 /nfs/dbraw/zinc/46/84/99/1380468499.db2.gz BYYXWTXGESWOHO-CYBMUJFWSA-N 0 3 326.381 3.461 20 5 EGBDHN Cc1cc(Cl)nc(N2CCN[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC001157759690 1381024416 /nfs/dbraw/zinc/02/44/16/1381024416.db2.gz UPDLTZZFVUUMEA-ZDUSSCGKSA-N 0 3 332.791 3.103 20 5 EGBDHN NCc1ccc2c(n1)N(c1nccc3ccc([N+](=O)[O-])cc31)CCC2 ZINC001158651648 1381337417 /nfs/dbraw/zinc/33/74/17/1381337417.db2.gz FICSZPSYTFMIEZ-UHFFFAOYSA-N 0 3 335.367 3.081 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CCOc1cccc(CN[C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447526428 309980824 /nfs/dbraw/zinc/98/08/24/309980824.db2.gz BKRHCINAUINPSS-DLBZAZTESA-N 0 3 344.415 3.464 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(OCCO)cc1)CCC2 ZINC000447578196 309982935 /nfs/dbraw/zinc/98/29/35/309982935.db2.gz DHGAVBAYVGDZOT-IBGZPJMESA-N 0 3 342.395 3.133 20 5 EGBDHN COCCN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000448375627 310003380 /nfs/dbraw/zinc/00/33/80/310003380.db2.gz UTVOLTYUQHLXCE-OUOZUETKSA-N 0 3 336.457 3.452 20 5 EGBDHN Cc1csc(CN[C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000449481113 310065699 /nfs/dbraw/zinc/06/56/99/310065699.db2.gz QYMPNDMMATWSRT-LBPRGKRZSA-N 0 3 333.413 3.472 20 5 EGBDHN COC(=O)c1cc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c[nH]1 ZINC000449504393 310067499 /nfs/dbraw/zinc/06/74/99/310067499.db2.gz VZBZYGBUYUNNGR-OAHLLOKOSA-N 0 3 343.383 3.089 20 5 EGBDHN CC(C)(C)O[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)[C@@H]1n1cccn1 ZINC000449656673 310078068 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EGBDHN Cc1noc(CCCN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451548805 310185225 /nfs/dbraw/zinc/18/52/25/310185225.db2.gz OLWUROYFZVKHCW-OAHLLOKOSA-N 0 3 330.388 3.098 20 5 EGBDHN O=C(CCN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NC1CCCC1 ZINC000451550035 310185511 /nfs/dbraw/zinc/18/55/11/310185511.db2.gz QOMPEACTYKYNEQ-INIZCTEOSA-N 0 3 345.443 3.223 20 5 EGBDHN Cc1cnc(CCN[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000453408761 310275613 /nfs/dbraw/zinc/27/56/13/310275613.db2.gz TUESKCYIAWRNBU-QGZVFWFLSA-N 0 3 326.400 3.248 20 5 EGBDHN C[C@H](NC(=O)NC[C@H](C)N1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000454261495 310300004 /nfs/dbraw/zinc/30/00/04/310300004.db2.gz RDHZHCRVLKXXPA-KKUMJFAQSA-N 0 3 348.447 3.218 20 5 EGBDHN Cc1ccc(CN[C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)nc1C ZINC000459655693 310566595 /nfs/dbraw/zinc/56/65/95/310566595.db2.gz AMXQGQSRUZJCME-CYBMUJFWSA-N 0 3 342.399 3.114 20 5 EGBDHN CN1CC[C@@]2(CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000488773376 311079389 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COc1ccc(OCCNC2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000540353691 314376490 /nfs/dbraw/zinc/37/64/90/314376490.db2.gz CYNWXCVELYSMPK-UHFFFAOYSA-N 0 3 328.368 3.261 20 5 EGBDHN CC(C)c1ccc(CNC[C@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000540619478 314392991 /nfs/dbraw/zinc/39/29/91/314392991.db2.gz ALABSEZBZMAXKM-OAHLLOKOSA-N 0 3 332.400 3.252 20 5 EGBDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)[C@]12CCCO2 ZINC000546163589 314814536 /nfs/dbraw/zinc/81/45/36/314814536.db2.gz MQPBWYWAHMZDNM-VIBAHUMZSA-N 0 3 334.416 3.280 20 5 EGBDHN Cc1cccc(C)c1[C@@H](C)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000546932997 314866628 /nfs/dbraw/zinc/86/66/28/314866628.db2.gz WETNYSQXMXGPPS-HZPDHXFCSA-N 0 3 344.411 3.302 20 5 EGBDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000551720062 315165353 /nfs/dbraw/zinc/16/53/53/315165353.db2.gz ORZQKRXZBLXWTI-RHSMWYFYSA-N 0 3 342.395 3.105 20 5 EGBDHN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000551721003 315165393 /nfs/dbraw/zinc/16/53/93/315165393.db2.gz KRPXZZUGNQNUAX-KDOFPFPSSA-N 0 3 342.395 3.105 20 5 EGBDHN C[C@H](C(=O)NCc1cccc(CN(C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000562390279 315827622 /nfs/dbraw/zinc/82/76/22/315827622.db2.gz OICJUBJKANKMRO-AWEZNQCLSA-N 0 3 341.411 3.076 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000562477679 315839530 /nfs/dbraw/zinc/83/95/30/315839530.db2.gz NFQSMPZVTFZHQX-DYVFJYSZSA-N 0 3 345.443 3.201 20 5 EGBDHN COCC[C@H](Cc1ccco1)N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564226490 316126102 /nfs/dbraw/zinc/12/61/02/316126102.db2.gz YSZDAUFTFBHHMK-CXAGYDPISA-N 0 3 330.384 3.413 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1N(C)CCCC1(C)C ZINC000564444102 316153053 /nfs/dbraw/zinc/15/30/53/316153053.db2.gz VBHHCPIICCCPDO-MRXNPFEDSA-N 0 3 348.447 3.399 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NCCOCC(F)(F)C(F)F ZINC000570863982 317117885 /nfs/dbraw/zinc/11/78/85/317117885.db2.gz NNKSTKMXCMOPQR-LLVKDONJSA-N 0 3 336.285 3.089 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN[C@H](Cc2ccccc2)c2cccs2)n1 ZINC000184973134 323684296 /nfs/dbraw/zinc/68/42/96/323684296.db2.gz KUPTYZRZKHBQBJ-OAHLLOKOSA-N 0 3 342.424 3.426 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCNCc2cnc(-c3ccco3)s2)cc1 ZINC000578711490 325005850 /nfs/dbraw/zinc/00/58/50/325005850.db2.gz XNVLTMITWPPLFU-UHFFFAOYSA-N 0 3 345.380 3.480 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN[C@H]3CCC[C@H]3CCO)o2)c1 ZINC000189978057 455264899 /nfs/dbraw/zinc/26/48/99/455264899.db2.gz GGFKJNWOOINKKU-GUYCJALGSA-N 0 3 330.384 3.496 20 5 EGBDHN CC[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000026712699 453804220 /nfs/dbraw/zinc/80/42/20/453804220.db2.gz GEVSJNSBJNCCTL-PKOBYXMFSA-N 0 3 344.411 3.384 20 5 EGBDHN CN(Cc1ccccc1)[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000081534789 453884016 /nfs/dbraw/zinc/88/40/16/453884016.db2.gz HVEOAEXWUOWORP-MRXNPFEDSA-N 0 3 343.402 3.440 20 5 EGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(CCN2CCOCC2)CC1 ZINC000075675907 453916303 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CCc1nn(C)c(NC[C@@H](c2ccccc2)N2CCCC2)c1[N+](=O)[O-] ZINC000094131890 454188250 /nfs/dbraw/zinc/18/82/50/454188250.db2.gz GMOGCEVSOFCONW-INIZCTEOSA-N 0 3 343.431 3.140 20 5 EGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCN1CCCCCC1 ZINC000184681442 455427382 /nfs/dbraw/zinc/42/73/82/455427382.db2.gz DRIODKIUBHBOGL-QGZVFWFLSA-N 0 3 347.459 3.156 20 5 EGBDHN Cc1c(NC(=O)[C@H](C)N[C@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000119814757 454223419 /nfs/dbraw/zinc/22/34/19/454223419.db2.gz GDPHPQYNLWYCPH-WFASDCNBSA-N 0 3 349.431 3.166 20 5 EGBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000078800788 454320743 /nfs/dbraw/zinc/32/07/43/454320743.db2.gz DTTDUHWZNQFSJH-LLVKDONJSA-N 0 3 340.811 3.054 20 5 EGBDHN CC(C)(C)[C@H](NCCn1cc([N+](=O)[O-])ccc1=O)c1ccc(F)cc1 ZINC000090553271 454320985 /nfs/dbraw/zinc/32/09/85/454320985.db2.gz OPQIJWUISHVDLB-QGZVFWFLSA-N 0 3 347.390 3.273 20 5 EGBDHN O=c1ccc([N+](=O)[O-])cn1CCN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000090554087 454321544 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O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1cccs1 ZINC000182198418 455459024 /nfs/dbraw/zinc/45/90/24/455459024.db2.gz RNPBVMHWPARIKI-UKRRQHHQSA-N 0 3 348.424 3.233 20 5 EGBDHN CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092710243 454615720 /nfs/dbraw/zinc/61/57/20/454615720.db2.gz LBEPOOVOTKQGKF-MRXNPFEDSA-N 0 3 333.432 3.032 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCN(C)Cc1ccccc1 ZINC000163084997 454821763 /nfs/dbraw/zinc/82/17/63/454821763.db2.gz WPDWKPKBUBSEDM-UHFFFAOYSA-N 0 3 342.399 3.157 20 5 EGBDHN CC[C@H](NC[C@H](O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000125445607 454823282 /nfs/dbraw/zinc/82/32/82/454823282.db2.gz FVIDTROFYXUGGL-ROUUACIJSA-N 0 3 330.384 3.378 20 5 EGBDHN CC[C@@H](NC[C@@H](O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000177797803 454907031 /nfs/dbraw/zinc/90/70/31/454907031.db2.gz NZXBAIPJDKMXQA-SJLPKXTDSA-N 0 3 330.384 3.075 20 5 EGBDHN C[C@H](N[C@H]1CCN(c2ncccc2F)C1)c1cccc([N+](=O)[O-])c1 ZINC000168111493 454925205 /nfs/dbraw/zinc/92/52/05/454925205.db2.gz KDMLMJUCCRBEKC-JSGCOSHPSA-N 0 3 330.363 3.058 20 5 EGBDHN C[C@H](CN1CCC[C@@H](C)C1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639905 454946444 /nfs/dbraw/zinc/94/64/44/454946444.db2.gz RRKJDIMMJSDFBO-CHWSQXEVSA-N 0 3 346.431 3.012 20 5 EGBDHN Cc1ccc(CNC[C@@](C)(O)c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000114509058 454959280 /nfs/dbraw/zinc/95/92/80/454959280.db2.gz ICMQKKZBAUAHEC-QGZVFWFLSA-N 0 3 336.338 3.179 20 5 EGBDHN COc1ccc([C@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)cc1 ZINC000155199082 454973795 /nfs/dbraw/zinc/97/37/95/454973795.db2.gz MEURGJIYYWDSPN-INIZCTEOSA-N 0 3 342.395 3.472 20 5 EGBDHN Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000151513437 454996080 /nfs/dbraw/zinc/99/60/80/454996080.db2.gz CTNJBQPVPXRCIB-UHFFFAOYSA-N 0 3 346.431 3.385 20 5 EGBDHN Cc1c([C@H](C)NCCCN(C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000156383927 455111983 /nfs/dbraw/zinc/11/19/83/455111983.db2.gz RMNOIQKLCZJZEA-LBPRGKRZSA-N 0 3 333.354 3.438 20 5 EGBDHN O=[N+]([O-])c1ccc(NCC2CCN(c3ccncc3)CC2)c(F)c1 ZINC000180045445 455122199 /nfs/dbraw/zinc/12/21/99/455122199.db2.gz MUTIVUGNTKORFY-UHFFFAOYSA-N 0 3 330.363 3.457 20 5 EGBDHN COc1ccc(NC(=O)CCN[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000182404628 455506587 /nfs/dbraw/zinc/50/65/87/455506587.db2.gz LMMUFEVTRNKMSV-CYBMUJFWSA-N 0 3 343.383 3.283 20 5 EGBDHN COc1cccc(NCC2CCN(c3ccncc3)CC2)c1[N+](=O)[O-] ZINC000185667091 455592459 /nfs/dbraw/zinc/59/24/59/455592459.db2.gz YAIHVPPAGFAOQW-UHFFFAOYSA-N 0 3 342.399 3.327 20 5 EGBDHN C[C@H](c1ccc(F)cc1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373663 455708513 /nfs/dbraw/zinc/70/85/13/455708513.db2.gz KMVAIAXBMYNGEP-CZUORRHYSA-N 0 3 348.374 3.167 20 5 EGBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000271777803 455756145 /nfs/dbraw/zinc/75/61/45/455756145.db2.gz GJXSHKGXHYMSFR-OZAJXLCCSA-N 0 3 348.424 3.062 20 5 EGBDHN C[C@@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000271777806 455756181 /nfs/dbraw/zinc/75/61/81/455756181.db2.gz GJXSHKGXHYMSFR-YEBMWUKDSA-N 0 3 348.424 3.062 20 5 EGBDHN Cc1c(CN[C@H](C)c2ccc3c(c2)CC(=O)N3C)cccc1[N+](=O)[O-] ZINC000271871748 455794182 /nfs/dbraw/zinc/79/41/82/455794182.db2.gz WJUUQDKVSDTFAE-CYBMUJFWSA-N 0 3 339.395 3.273 20 5 EGBDHN CN(CCN(C)C1CC1)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000186743550 455830752 /nfs/dbraw/zinc/83/07/52/455830752.db2.gz JFUTWIYJFXPPGF-UHFFFAOYSA-N 0 3 336.435 3.472 20 5 EGBDHN COC(=O)[C@@H]1CC12CCN([C@H](C)c1cc([N+](=O)[O-])ccc1C)CC2 ZINC000272273796 455898599 /nfs/dbraw/zinc/89/85/99/455898599.db2.gz DOLAUVNRHIGKEI-CJNGLKHVSA-N 0 3 332.400 3.239 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C)cc(CN(C)C)c2)c1 ZINC000270359540 455937882 /nfs/dbraw/zinc/93/78/82/455937882.db2.gz GCFKZQMNUXXIBI-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000272479679 455964857 /nfs/dbraw/zinc/96/48/57/455964857.db2.gz MBHGWEVUCMMTSR-HIFRSBDPSA-N 0 3 349.431 3.330 20 5 EGBDHN COc1cc(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)c([N+](=O)[O-])cc1[O-] ZINC000280710231 456036232 /nfs/dbraw/zinc/03/62/32/456036232.db2.gz UBLNVZDGEHCZOQ-NNUKFRKNSA-N 0 3 346.358 3.484 20 5 EGBDHN CCOc1ccc([C@@H](C)NCCNc2ccccn2)cc1[N+](=O)[O-] ZINC000271131130 456134620 /nfs/dbraw/zinc/13/46/20/456134620.db2.gz LVYMYZQGYDROLT-CYBMUJFWSA-N 0 3 330.388 3.151 20 5 EGBDHN Cc1cc([C@@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1F ZINC000273005547 456142146 /nfs/dbraw/zinc/14/21/46/456142146.db2.gz AHFMMDWRAUBQEA-UKRRQHHQSA-N 0 3 348.374 3.133 20 5 EGBDHN C[S@](=O)C1(CN[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1 ZINC000281194033 456161116 /nfs/dbraw/zinc/16/11/16/456161116.db2.gz XURCKFOQOZAYIJ-WNSKOXEYSA-N 0 3 336.457 3.208 20 5 EGBDHN Cc1ccnc(N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000301616115 456164121 /nfs/dbraw/zinc/16/41/21/456164121.db2.gz JNICILJSFBBSOS-ZBFHGGJFSA-N 0 3 326.400 3.373 20 5 EGBDHN Cc1cccc(C[C@@H](CO)NC/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000189005079 456197372 /nfs/dbraw/zinc/19/73/72/456197372.db2.gz SRXLCANGVVZNQP-YXOJNZSOSA-N 0 3 326.396 3.110 20 5 EGBDHN CC(C)SCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000290046474 456225099 /nfs/dbraw/zinc/22/50/99/456225099.db2.gz GFPHSMOJWLSFEF-UHFFFAOYSA-N 0 3 334.445 3.227 20 5 EGBDHN CCCN1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000301880125 456240319 /nfs/dbraw/zinc/24/03/19/456240319.db2.gz PDAJVFOXBQSQDR-UHFFFAOYSA-N 0 3 326.400 3.189 20 5 EGBDHN CC[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000302180843 456308451 /nfs/dbraw/zinc/30/84/51/456308451.db2.gz ZLKDXQDKNLDOIY-MRXNPFEDSA-N 0 3 326.400 3.091 20 5 EGBDHN C[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCCC[C@H]1C ZINC000342926021 456318650 /nfs/dbraw/zinc/31/86/50/456318650.db2.gz OIPIJWLBRRBRGG-CHWSQXEVSA-N 0 3 344.415 3.069 20 5 EGBDHN CN(C)CCc1ccccc1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000275944083 456355763 /nfs/dbraw/zinc/35/57/63/456355763.db2.gz ZTSXQPQNBIDWGF-UHFFFAOYSA-N 0 3 341.411 3.270 20 5 EGBDHN CN(CCc1nc2ccccc2n1C)CCc1cccc([N+](=O)[O-])c1 ZINC000282356438 456488444 /nfs/dbraw/zinc/48/84/44/456488444.db2.gz CWDDHEZZZVFHHW-UHFFFAOYSA-N 0 3 338.411 3.199 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccco1 ZINC000343264797 456492947 /nfs/dbraw/zinc/49/29/47/456492947.db2.gz LWCZLQORPOCRAQ-MNOVXSKESA-N 0 3 349.416 3.438 20 5 EGBDHN O=[N+]([O-])c1cc(CNCC2(CO)CC2)ccc1Oc1ccc(F)cc1 ZINC000304539148 456515707 /nfs/dbraw/zinc/51/57/07/456515707.db2.gz QHEVXXJIXXOIND-UHFFFAOYSA-N 0 3 346.358 3.388 20 5 EGBDHN CCO[C@H]1COCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353158550 456530207 /nfs/dbraw/zinc/53/02/07/456530207.db2.gz WKFFIMSRNCDYJL-WMZOPIPTSA-N 0 3 346.383 3.138 20 5 EGBDHN CCNc1ccc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000343323796 456531720 /nfs/dbraw/zinc/53/17/20/456531720.db2.gz TUDYIAJUHMJRMU-UONOGXRCSA-N 0 3 348.447 3.019 20 5 EGBDHN CC[C@@H](C)N[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000353329241 456642713 /nfs/dbraw/zinc/64/27/13/456642713.db2.gz KEEDWRDFUHUCKU-IUODEOHRSA-N 0 3 346.387 3.439 20 5 EGBDHN C[C@H]1CCN(C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353433297 456695189 /nfs/dbraw/zinc/69/51/89/456695189.db2.gz FNAUVHSPWPYMFR-AWEZNQCLSA-N 0 3 329.400 3.381 20 5 EGBDHN CC(C)c1ccc(CN2CCC(OCCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000353569925 456769986 /nfs/dbraw/zinc/76/99/86/456769986.db2.gz HWMYVBVJNQHIRI-UHFFFAOYSA-N 0 3 349.475 3.261 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1ccc2c[nH]nc2c1 ZINC000341366777 456858417 /nfs/dbraw/zinc/85/84/17/456858417.db2.gz CLFIPBDBBPCIPP-UHFFFAOYSA-N 0 3 340.383 3.202 20 5 EGBDHN Cc1ccc(CNCc2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000339420457 457104935 /nfs/dbraw/zinc/10/49/35/457104935.db2.gz BWQFVLZAYVUCRF-UHFFFAOYSA-N 0 3 341.411 3.030 20 5 EGBDHN CCNC(=O)C1(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000362986471 457184769 /nfs/dbraw/zinc/18/47/69/457184769.db2.gz LJALPRQQPJLSSU-UHFFFAOYSA-N 0 3 333.432 3.114 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN(Cc2cccc(F)c2)C2CCCC2)c1 ZINC000350683718 457198563 /nfs/dbraw/zinc/19/85/63/457198563.db2.gz GWHJPNFTPMPNQQ-UHFFFAOYSA-N 0 3 332.379 3.375 20 5 EGBDHN Cc1cccc(CN(CCN(C)C)c2cc(C)c([N+](=O)[O-])cn2)c1 ZINC000347161084 457262717 /nfs/dbraw/zinc/26/27/17/457262717.db2.gz NIBCLNNBCUSZKS-UHFFFAOYSA-N 0 3 328.416 3.175 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCC(O[C@@H]2CCOC2)CC1 ZINC000347367877 457378550 /nfs/dbraw/zinc/37/85/50/457378550.db2.gz NDDGUVKKIQWJOK-FERCGXDMSA-N 0 3 346.427 3.268 20 5 EGBDHN CC[C@H](N[C@@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000358234913 457877537 /nfs/dbraw/zinc/87/75/37/457877537.db2.gz HEXJUQIQFODCLM-AEFFLSMTSA-N 0 3 332.375 3.378 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1C1CCCC1 ZINC000434706090 458040443 /nfs/dbraw/zinc/04/04/43/458040443.db2.gz LTCKXCFIMOFMLR-QGZVFWFLSA-N 0 3 331.416 3.496 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000375817506 458079616 /nfs/dbraw/zinc/07/96/16/458079616.db2.gz UIEUDSGTVUSJKS-CABCVRRESA-N 0 3 328.416 3.262 20 5 EGBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000446095321 458146973 /nfs/dbraw/zinc/14/69/73/458146973.db2.gz MMXOZINWZDEMJW-OAHLLOKOSA-N 0 3 333.432 3.288 20 5 EGBDHN COCC[C@]1(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOC1 ZINC000447071569 458261048 /nfs/dbraw/zinc/26/10/48/458261048.db2.gz AATNRMSCXCVDRV-SFHVURJKSA-N 0 3 346.383 3.140 20 5 EGBDHN COc1cc(C)cc(CN[C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447585128 458316381 /nfs/dbraw/zinc/31/63/81/458316381.db2.gz IJBLCMVURCPMAU-IAGOWNOFSA-N 0 3 344.415 3.382 20 5 EGBDHN C[C@@H]1C[C@H](c2cccnc2)N(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000376555099 458336939 /nfs/dbraw/zinc/33/69/39/458336939.db2.gz UGUKKCLFZJYFLQ-RDTXWAMCSA-N 0 3 327.384 3.452 20 5 EGBDHN O=[N+]([O-])c1ccc(CN(CCCO[C@H]2CCCCO2)C2CC2)cc1 ZINC000429696973 458359674 /nfs/dbraw/zinc/35/96/74/458359674.db2.gz HWXBBSGRLJONKF-SFHVURJKSA-N 0 3 334.416 3.493 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1N(C)CCCC1(C)C ZINC000447903314 458364244 /nfs/dbraw/zinc/36/42/44/458364244.db2.gz MPXIAZBMANXDFF-QGZVFWFLSA-N 0 3 335.448 3.204 20 5 EGBDHN CN(C)CCc1ccccc1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000437918726 458511453 /nfs/dbraw/zinc/51/14/53/458511453.db2.gz RVQZMWDIHHQYME-UHFFFAOYSA-N 0 3 328.372 3.343 20 5 EGBDHN C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000439122016 458658524 /nfs/dbraw/zinc/65/85/24/458658524.db2.gz WMNSSFLUWOBDFG-AAEUAGOBSA-N 0 3 345.428 3.407 20 5 EGBDHN CCc1ccc(C(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000471338118 458689530 /nfs/dbraw/zinc/68/95/30/458689530.db2.gz WVOJUIMMLMMFBF-UONOGXRCSA-N 0 3 333.432 3.150 20 5 EGBDHN CN(Cc1ccccc1)C1CN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432156784 458691136 /nfs/dbraw/zinc/69/11/36/458691136.db2.gz PHSHDSQDWHLVQN-UHFFFAOYSA-N 0 3 348.406 3.464 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCC(C)CC1 ZINC000463950028 458726139 /nfs/dbraw/zinc/72/61/39/458726139.db2.gz MSDPEXJZSPNERC-OAHLLOKOSA-N 0 3 348.447 3.454 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000463954650 458726197 /nfs/dbraw/zinc/72/61/97/458726197.db2.gz MFBGHEFLYGWNGF-SWLSCSKDSA-N 0 3 348.447 3.454 20 5 EGBDHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)c1ncccc1[N+](=O)[O-] ZINC000439695505 458741966 /nfs/dbraw/zinc/74/19/66/458741966.db2.gz ZARRQYMOIUNQRW-QGZVFWFLSA-N 0 3 340.427 3.338 20 5 EGBDHN CCC[C@@H]1[C@@H](C)CCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000464734931 458767223 /nfs/dbraw/zinc/76/72/23/458767223.db2.gz KTHJOKQELQTZKG-WMLDXEAASA-N 0 3 333.432 3.458 20 5 EGBDHN CC[C@@H](O)CN(CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000441072175 458884295 /nfs/dbraw/zinc/88/42/95/458884295.db2.gz ZUKFPQYDQIELQX-GOSISDBHSA-N 0 3 344.411 3.247 20 5 EGBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1NC(=O)OC(C)(C)C ZINC000495904146 458999520 /nfs/dbraw/zinc/99/95/20/458999520.db2.gz OEZBXMXLVZYDAE-NSHDSACASA-N 0 3 338.360 3.164 20 5 EGBDHN COc1cccc2c1OC[C@@H](N[C@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000594495105 459060303 /nfs/dbraw/zinc/06/03/03/459060303.db2.gz OWMTZVGCBNXXNQ-BBRMVZONSA-N 0 3 340.379 3.184 20 5 EGBDHN C[C@@H](Cc1ccccn1)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000594517202 459074235 /nfs/dbraw/zinc/07/42/35/459074235.db2.gz HXSPBWZKGYOHRX-NSHDSACASA-N 0 3 337.326 3.312 20 5 EGBDHN C[C@@H](NC[C@@](C)(CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000478184233 459080193 /nfs/dbraw/zinc/08/01/93/459080193.db2.gz XQKHOSXOIXABLR-BEFAXECRSA-N 0 3 328.412 3.487 20 5 EGBDHN Cc1cccc(C(=O)NCCN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000532447798 459089546 /nfs/dbraw/zinc/08/95/46/459089546.db2.gz PIWAIMJQIZKOOA-OAHLLOKOSA-N 0 3 341.411 3.292 20 5 EGBDHN CC(C)(CO)[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000558475058 459164378 /nfs/dbraw/zinc/16/43/78/459164378.db2.gz ACOKTARXUKOCEM-GOSISDBHSA-N 0 3 344.411 3.323 20 5 EGBDHN CO[C@@](C)(CNCc1cccc([N+](=O)[O-])c1)COCc1ccccc1 ZINC000594974899 459202107 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3.233 20 5 EGBDHN CC1CCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000787810556 1305798513 /nfs/dbraw/zinc/79/85/13/1305798513.db2.gz GQCKCSNVRGPONC-UHFFFAOYSA-N 0 3 340.811 3.102 20 5 EGBDHN CCC(=O)c1ccc(N2CCCN(C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000795080083 1309662809 /nfs/dbraw/zinc/66/28/09/1309662809.db2.gz JRXGHNQPWRYULH-UHFFFAOYSA-N 0 3 333.432 3.498 20 5 EGBDHN CC(C)(NC[C@@H](O)c1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000795219333 1309699564 /nfs/dbraw/zinc/69/95/64/1309699564.db2.gz FMXFPXFNSRKSJH-MRXNPFEDSA-N 0 3 336.338 3.431 20 5 EGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1CCO[C@H]1C1CC1 ZINC000896410122 1309847298 /nfs/dbraw/zinc/84/72/98/1309847298.db2.gz XNTCISRHBUVDGG-OCCSQVGLSA-N 0 3 330.306 3.271 20 5 EGBDHN CC1(C)CN(c2ccc(N)cc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000804432207 1317236194 /nfs/dbraw/zinc/23/61/94/1317236194.db2.gz VKLSZXLQTQLBNR-UHFFFAOYSA-N 0 3 340.427 3.278 20 5 EGBDHN Cc1ccc(Oc2ccc(OCC(=O)OCC(C)[N+](=O)[O-])cc2)cc1 ZINC000813104812 1318500329 /nfs/dbraw/zinc/50/03/29/1318500329.db2.gz RXSQFOVNYDVSQU-CQSZACIVSA-N 0 3 345.351 3.375 20 5 EGBDHN CC(COC(=O)Cc1csc(-c2ccc(Cl)s2)n1)[N+](=O)[O-] ZINC000813108307 1318500415 /nfs/dbraw/zinc/50/04/15/1318500415.db2.gz DBYMZCGEYJNLEE-SSDOTTSWSA-N 0 3 346.817 3.276 20 5 EGBDHN CC(COC(=O)c1sc2ccccc2c1Br)[N+](=O)[O-] ZINC000813107231 1318500841 /nfs/dbraw/zinc/50/08/41/1318500841.db2.gz NGMJPBRENOYIMO-ZETCQYMHSA-N 0 3 344.186 3.486 20 5 EGBDHN Cc1cc2c(o1)c(C(=O)OCC(C)[N+](=O)[O-])ccc2Br ZINC000813108923 1318501129 /nfs/dbraw/zinc/50/11/29/1318501129.db2.gz CBJISDCDZRZXNH-ZETCQYMHSA-N 0 3 342.145 3.326 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCO[C@@H]2CCCCO2)o1 ZINC000813334055 1318535764 /nfs/dbraw/zinc/53/57/64/1318535764.db2.gz VQWGAFVXJMECBI-GOSISDBHSA-N 0 3 346.383 3.488 20 5 EGBDHN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Cl)N1CCC(C)CC1 ZINC000816908177 1319244945 /nfs/dbraw/zinc/24/49/45/1319244945.db2.gz UDRNKJLZYBFAHQ-LBPRGKRZSA-N 0 3 339.823 3.098 20 5 EGBDHN Cc1nn(CN2CC[C@H](C3CCCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000817371173 1319343150 /nfs/dbraw/zinc/34/31/50/1319343150.db2.gz RWOOZMCLXPYDRV-AWEZNQCLSA-N 0 3 329.404 3.118 20 5 EGBDHN CCn1nc(C)c(CN[C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000818345967 1319533200 /nfs/dbraw/zinc/53/32/00/1319533200.db2.gz YXXGIXZJPQSAJH-GOEBONIOSA-N 0 3 343.431 3.016 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](O)CN[C@H](c2ccccc2)[C@H]2CCCO2)cc1 ZINC000819002261 1319612065 /nfs/dbraw/zinc/61/20/65/1319612065.db2.gz UAFQDNLJTGKMCN-GUDVDZBRSA-N 0 3 342.395 3.138 20 5 EGBDHN Nc1ccc(NC(=O)c2cccc(CN3CCCC3)c2)cc1[N+](=O)[O-] ZINC000819894027 1319795623 /nfs/dbraw/zinc/79/56/23/1319795623.db2.gz ZRUBQHVPYNIUDG-UHFFFAOYSA-N 0 3 340.383 3.025 20 5 EGBDHN C[C@@H](CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(C)CC1 ZINC000825595846 1320348913 /nfs/dbraw/zinc/34/89/13/1320348913.db2.gz TYZLPBFFKSEPMU-LBPRGKRZSA-N 0 3 339.823 3.098 20 5 EGBDHN COc1cccc(C(=O)OC[C@@H]2CCCCN2C(C)C)c1[N+](=O)[O-] ZINC000837674707 1320664485 /nfs/dbraw/zinc/66/44/85/1320664485.db2.gz ZTGUUBAVDCRYJU-ZDUSSCGKSA-N 0 3 336.388 3.023 20 5 EGBDHN O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H](CO)c1ccc(F)cc1 ZINC000840962503 1321188255 /nfs/dbraw/zinc/18/82/55/1321188255.db2.gz HVQWWBGZNAMQFJ-ZDUSSCGKSA-N 0 3 338.766 3.253 20 5 EGBDHN CC([C@@H](OC(=O)CCc1ccccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845873616 1321747876 /nfs/dbraw/zinc/74/78/76/1321747876.db2.gz DIBLSHDBNVVVKY-YVEFUNNKSA-N 0 3 332.331 3.103 20 5 EGBDHN CC([C@H](OC(=O)C1SCCCS1)c1ccccc1F)[N+](=O)[O-] ZINC000845882559 1321750180 /nfs/dbraw/zinc/75/01/80/1321750180.db2.gz VQMXIPYIODPNSB-SKDRFNHKSA-N 0 3 345.417 3.271 20 5 EGBDHN CC([C@@H](OC(=O)CCCC(=O)C1CC1)c1ccccc1F)[N+](=O)[O-] ZINC000845882210 1321750311 /nfs/dbraw/zinc/75/03/11/1321750311.db2.gz NYKTXHCREGRXAH-APPDUMDISA-N 0 3 337.347 3.225 20 5 EGBDHN C[C@@H](COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)N1CCCCC1 ZINC000847963796 1321917132 /nfs/dbraw/zinc/91/71/32/1321917132.db2.gz SVCPFYXFYIRWAJ-STQMWFEESA-N 0 3 338.379 3.255 20 5 EGBDHN C[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000848549855 1321974328 /nfs/dbraw/zinc/97/43/28/1321974328.db2.gz WATFITWPHWXTBH-RISCZKNCSA-N 0 3 335.404 3.085 20 5 EGBDHN Cc1ccc(CNC[C@H](O)c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-] ZINC000850418363 1322243788 /nfs/dbraw/zinc/24/37/88/1322243788.db2.gz GMVJQXGFHFOUEX-HNNXBMFYSA-N 0 3 340.301 3.144 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCNc1cccc(C)n1 ZINC000850445582 1322250914 /nfs/dbraw/zinc/25/09/14/1322250914.db2.gz UPSARMLEAGTZRR-ZDUSSCGKSA-N 0 3 330.388 3.070 20 5 EGBDHN Cc1nn(CN2CCC[C@@H]3CCCC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000853634059 1325137135 /nfs/dbraw/zinc/13/71/35/1325137135.db2.gz JDWHXYNFSKFOKY-BBRMVZONSA-N 0 3 329.404 3.260 20 5 EGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000855898675 1325427708 /nfs/dbraw/zinc/42/77/08/1325427708.db2.gz SHUHUDAJIBQELB-LBPRGKRZSA-N 0 3 339.823 3.098 20 5 EGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000855898884 1325428008 /nfs/dbraw/zinc/42/80/08/1325428008.db2.gz XTJLWGCELWMGDW-LBPRGKRZSA-N 0 3 339.823 3.098 20 5 EGBDHN Cc1cccc2nc(CN[C@@H](C)Cc3ccc(F)cc3[N+](=O)[O-])cn21 ZINC000866262173 1330087103 /nfs/dbraw/zinc/08/71/03/1330087103.db2.gz JLQPXFYBYCFKHK-LBPRGKRZSA-N 0 3 342.374 3.411 20 5 EGBDHN CCCC(=O)N1CCC2(C1)CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC001040580883 1345549267 /nfs/dbraw/zinc/54/92/67/1345549267.db2.gz XCVHVLSIZYKYBK-UHFFFAOYSA-N 0 3 345.443 3.209 20 5 EGBDHN CC1(C)CC(C(=O)NC[C@H]2C[C@@H](NCc3ccccc3[N+](=O)[O-])C2)C1 ZINC001086077265 1358989159 /nfs/dbraw/zinc/98/91/59/1358989159.db2.gz QHNLRHXCLWGRLV-AKAXFMLLSA-N 0 3 345.443 3.015 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC(=O)N1CCC[C@@H](C)C1 ZINC001323490689 1387376479 /nfs/dbraw/zinc/37/64/79/1387376479.db2.gz CNAGYBYVLQTPSX-HIFRSBDPSA-N 0 3 333.432 3.202 20 5 EGBDHN CN1CCN(Cc2cccc(Nc3ccccc3[N+](=O)[O-])c2)CC1 ZINC001206173058 1370980334 /nfs/dbraw/zinc/98/03/34/1370980334.db2.gz UOKHJWIWOCAMNP-UHFFFAOYSA-N 0 3 326.400 3.086 20 5 EGBDHN C/C=C(\C)C(=O)NC1CC2(CC(NCc3csc([N+](=O)[O-])c3)C2)C1 ZINC001120908398 1371803382 /nfs/dbraw/zinc/80/33/82/1371803382.db2.gz WWAQCBUQEZKGNZ-QDEBKDIKSA-N 0 3 349.456 3.140 20 5 EGBDHN CCN1CCN(c2ccc(Nc3ccc(N)c([N+](=O)[O-])c3)cc2)CC1 ZINC001209935692 1372236139 /nfs/dbraw/zinc/23/61/39/1372236139.db2.gz CJZREYRYKBTOFD-UHFFFAOYSA-N 0 3 341.415 3.063 20 5 EGBDHN O=[N+]([O-])c1cc(O[C@@H]2CNCCC2(F)F)c(Cl)cc1Cl ZINC001218447409 1373613845 /nfs/dbraw/zinc/61/38/45/1373613845.db2.gz GPULLYHAIYYVMI-SNVBAGLBSA-N 0 3 327.114 3.278 20 5 EGBDHN C[C@@H]1CCN(Cc2ccccc2)C[C@H]1Oc1ccc([N+](=O)[O-])cn1 ZINC001225628509 1375135110 /nfs/dbraw/zinc/13/51/10/1375135110.db2.gz PCFFXMRVXOKPCC-RHSMWYFYSA-N 0 3 327.384 3.279 20 5 EGBDHN CC(C)N1CCC[C@@H](Oc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC001225751193 1375152521 /nfs/dbraw/zinc/15/25/21/1375152521.db2.gz WOPSHIKDWUCSLB-LLVKDONJSA-N 0 3 344.209 3.004 20 5 EGBDHN O=[N+]([O-])c1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)nc1Cl ZINC001228935546 1375722050 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Cc1cnc(NC2CCN(Cc3ccc(O)cc3)CC2)c([N+](=O)[O-])c1 ZINC001161129211 1382311253 /nfs/dbraw/zinc/31/12/53/1382311253.db2.gz AGLGEWPLBQVWRA-UHFFFAOYSA-N 0 3 342.399 3.080 20 5 EGBDHN COc1cc([N+](=O)[O-])c(-n2c3ccccc3nc2[C@H](C)N)cc1F ZINC001162767184 1382865157 /nfs/dbraw/zinc/86/51/57/1382865157.db2.gz SSZSRMVGPCSSJT-VIFPVBQESA-N 0 3 330.319 3.101 20 5 EGBDHN CC1(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)CCCCC1 ZINC001165761934 1383340897 /nfs/dbraw/zinc/34/08/97/1383340897.db2.gz WFOKHUVJDVGLHJ-UHFFFAOYSA-N 0 3 339.461 3.223 20 5 EGBDHN O=C(CN[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)c(Cl)c1 ZINC001168983650 1384079412 /nfs/dbraw/zinc/07/94/12/1384079412.db2.gz KHCRKZJCWQISQT-MWLCHTKSSA-N 0 3 331.199 3.211 20 5 EGBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](n2c3ccccc3nc2[C@H]2CCCCN2)C1 ZINC001169036148 1384096636 /nfs/dbraw/zinc/09/66/36/1384096636.db2.gz FMTMIDTVQQOVOA-IIAWOOMASA-N 0 3 328.416 3.469 20 5 EGBDHN CCOc1cc2c(cc1OCC)CN([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169047101 1384100187 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3.125 20 5 EGBDHN CCc1nnc(C2CCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC001173234210 1384942208 /nfs/dbraw/zinc/94/22/08/1384942208.db2.gz PVXJDJUFTDUTPO-CYBMUJFWSA-N 0 3 344.415 3.351 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(CNCCn2cccn2)o1 ZINC001318622164 1385799197 /nfs/dbraw/zinc/79/91/97/1385799197.db2.gz ZGZRHBRTJCDACR-UHFFFAOYSA-N 0 3 346.774 3.495 20 5 EGBDHN CCN(CCNCc1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1C ZINC001754031100 1440533829 /nfs/dbraw/zinc/53/38/29/1440533829.db2.gz RAGZECLWMZIAGD-UHFFFAOYSA-N 0 3 341.411 3.155 20 5 EGBDHN O=[N+]([O-])c1ccc(CN[C@@H](CO)Cc2ccc(F)cc2)cc1Cl ZINC000783648588 1126109641 /nfs/dbraw/zinc/10/96/41/1126109641.db2.gz NLICWPPQNVRYRI-CQSZACIVSA-N 0 3 338.766 3.081 20 5 EGBDHN CN(C)C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000338355806 282117262 /nfs/dbraw/zinc/11/72/62/282117262.db2.gz KMRVGFBZWXEZRF-MRXNPFEDSA-N 0 3 346.362 3.158 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN[C@H](c2ccccc2)C2CC2)c1 ZINC000023678823 212388621 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C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000246806921 141035869 /nfs/dbraw/zinc/03/58/69/141035869.db2.gz QXCFVDDCZXEJEN-WFEZPHLISA-N 0 3 326.400 3.388 20 5 EGBDHN C[C@H](N[C@@H](C)[C@H]1CCCOC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000348146220 141238710 /nfs/dbraw/zinc/23/87/10/141238710.db2.gz ULMBODJWYOSGLM-OBJOEFQTSA-N 0 3 346.387 3.111 20 5 EGBDHN CCO[C@@H]1C[C@@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCC2 ZINC000120811426 152302153 /nfs/dbraw/zinc/30/21/53/152302153.db2.gz YZSXXQCLPUQXMM-IAGOWNOFSA-N 0 3 334.416 3.383 20 5 EGBDHN COc1ccc(-c2ccc(CNCCC[C@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000340103004 155099462 /nfs/dbraw/zinc/09/94/62/155099462.db2.gz BIJJABMFMRTCOP-ZDUSSCGKSA-N 0 3 348.399 3.362 20 5 EGBDHN COc1ccc(CN(CCN(C)C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000348895695 156278656 /nfs/dbraw/zinc/27/86/56/156278656.db2.gz ROUJLCUWFMECPH-UHFFFAOYSA-N 0 3 343.427 3.167 20 5 EGBDHN CCOc1ccc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000365510600 157151248 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CC[C@H](C)CN(CC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000245920583 455399862 /nfs/dbraw/zinc/39/98/62/455399862.db2.gz WUOMNRSWSQNGPP-QWHCGFSZSA-N 0 3 337.420 3.298 20 5 EGBDHN C[C@@H](O)C[C@@H](C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077428745 454105836 /nfs/dbraw/zinc/10/58/36/454105836.db2.gz WIWOHAHQUHFSEU-VXGBXAGGSA-N 0 3 335.429 3.215 20 5 EGBDHN CN(C)CCn1cc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cn1 ZINC000057854507 454152081 /nfs/dbraw/zinc/15/20/81/454152081.db2.gz JRPYRJZWCGQAIJ-UHFFFAOYSA-N 0 3 343.309 3.115 20 5 EGBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])c1cccc(OCCN(C)C)c1 ZINC000089512264 454157632 /nfs/dbraw/zinc/15/76/32/454157632.db2.gz RXCGXRGZKPQBEB-HNNXBMFYSA-N 0 3 343.427 3.386 20 5 EGBDHN CCN1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090092127 454278092 /nfs/dbraw/zinc/27/80/92/454278092.db2.gz BVMALWGQIKSHFS-UHFFFAOYSA-N 0 3 326.400 3.189 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182100438 455436103 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EGBDHN CC[C@H](c1ccncc1)N(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000092224821 454538660 /nfs/dbraw/zinc/53/86/60/454538660.db2.gz WTKAQJXYXYLNRM-MRXNPFEDSA-N 0 3 345.399 3.460 20 5 EGBDHN CCN1CCCC[C@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080137491 454538711 /nfs/dbraw/zinc/53/87/11/454538711.db2.gz KICTWIYQNCLZKU-INIZCTEOSA-N 0 3 348.447 3.004 20 5 EGBDHN CN(C)Cc1cccc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1 ZINC000134554825 454559378 /nfs/dbraw/zinc/55/93/78/454559378.db2.gz AYRADYHBLPUKOK-UHFFFAOYSA-N 0 3 347.802 3.240 20 5 EGBDHN CN(CCCOc1ccccc1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065534045 454586140 /nfs/dbraw/zinc/58/61/40/454586140.db2.gz DITHSSJIUZOBOL-UHFFFAOYSA-N 0 3 330.384 3.375 20 5 EGBDHN C[C@@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000123741887 454670705 /nfs/dbraw/zinc/67/07/05/454670705.db2.gz PUABWFAUTZVNDQ-RHSMWYFYSA-N 0 3 345.443 3.427 20 5 EGBDHN COc1ccc(-c2ccc(CN(C)C[C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000093840026 454739644 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3.378 20 5 EGBDHN CCOc1cccc([C@H](C)NC[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000271614958 455701271 /nfs/dbraw/zinc/70/12/71/455701271.db2.gz AKCKLPXAICLTSE-UGSOOPFHSA-N 0 3 330.384 3.378 20 5 EGBDHN Cc1c(CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cccc1[N+](=O)[O-] ZINC000271871749 455794260 /nfs/dbraw/zinc/79/42/60/455794260.db2.gz WJUUQDKVSDTFAE-ZDUSSCGKSA-N 0 3 339.395 3.273 20 5 EGBDHN COC(=O)c1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])cc1F ZINC000285171328 455799922 /nfs/dbraw/zinc/79/99/22/455799922.db2.gz BDUVUQROCBEPPG-UHFFFAOYSA-N 0 3 346.358 3.195 20 5 EGBDHN CC(C)[C@@H](O)C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272106016 455848488 /nfs/dbraw/zinc/84/84/88/455848488.db2.gz WRPRSUPALRBKRN-CQSZACIVSA-N 0 3 344.358 3.083 20 5 EGBDHN CCC[C@]1(NCc2ccc(Br)c([N+](=O)[O-])c2)CCOC1 ZINC000285585071 455876236 /nfs/dbraw/zinc/87/62/36/455876236.db2.gz OPMTYGXVJXGHQK-AWEZNQCLSA-N 0 3 343.221 3.406 20 5 EGBDHN Cc1cc(NC(=O)N2CCN(C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000296605139 455986822 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Cc1c(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-] ZINC000236735443 456176658 /nfs/dbraw/zinc/17/66/58/456176658.db2.gz FMPXWPDJJZLSFO-KRWDZBQOSA-N 0 3 341.411 3.456 20 5 EGBDHN CC[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000281291933 456191202 /nfs/dbraw/zinc/19/12/02/456191202.db2.gz GYAGZEYCGONJCG-MRXNPFEDSA-N 0 3 345.399 3.293 20 5 EGBDHN CC[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000273147486 456192907 /nfs/dbraw/zinc/19/29/07/456192907.db2.gz LFOXLOXDMNVHFY-HOTGVXAUSA-N 0 3 330.384 3.075 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000302152973 456301025 /nfs/dbraw/zinc/30/10/25/456301025.db2.gz CLHAYQRECCZDNB-PBHICJAKSA-N 0 3 326.400 3.231 20 5 EGBDHN C[C@H](NCCC(=O)N(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000298405071 456446563 /nfs/dbraw/zinc/44/65/63/456446563.db2.gz OVTUOYLLTDJMCX-AWEZNQCLSA-N 0 3 327.384 3.299 20 5 EGBDHN CN(C)CC1(NCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000282232344 456450646 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CCOCCC1(CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000340837625 456709958 /nfs/dbraw/zinc/70/99/58/456709958.db2.gz LDWAUGXTUUJBEW-UHFFFAOYSA-N 0 3 329.400 3.492 20 5 EGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291708371 456728172 /nfs/dbraw/zinc/72/81/72/456728172.db2.gz IJKDTRMRNNIWDR-DNVCBOLYSA-N 0 3 326.396 3.292 20 5 EGBDHN CCCCN1CCCC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000338437133 456818942 /nfs/dbraw/zinc/81/89/42/456818942.db2.gz DELFKUHPGYZRSG-ZDUSSCGKSA-N 0 3 325.434 3.041 20 5 EGBDHN Cc1nc(N2CC[C@@H](N(C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000362823622 457109838 /nfs/dbraw/zinc/10/98/38/457109838.db2.gz VBSPSCVUKHPPHB-MRXNPFEDSA-N 0 3 326.400 3.009 20 5 EGBDHN Cc1cc(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000342404889 457283687 /nfs/dbraw/zinc/28/36/87/457283687.db2.gz AGONTRXVPQAJQX-HNNXBMFYSA-N 0 3 341.411 3.154 20 5 EGBDHN Cc1nnc([C@H]2CCCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)[nH]1 ZINC000332379796 457359476 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3.055 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@](C)(O)c1ccsc1 ZINC000850437427 1322249578 /nfs/dbraw/zinc/24/95/78/1322249578.db2.gz PBNRXMIXZNYYGU-MEDUHNTESA-N 0 3 336.413 3.223 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCc1cccc([N+](=O)[O-])c1 ZINC000850447198 1322251292 /nfs/dbraw/zinc/25/12/92/1322251292.db2.gz FAYWJXQWBNHVHN-GFCCVEGCSA-N 0 3 345.355 3.405 20 5 EGBDHN CCc1c[nH]c(=O)c(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000851109116 1322335891 /nfs/dbraw/zinc/33/58/91/1322335891.db2.gz VQEQUTJVRLDABQ-MEBBXXQBSA-N 0 3 348.330 3.052 20 5 EGBDHN Cc1c(CN2CCC[C@](O)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000859584501 1329025819 /nfs/dbraw/zinc/02/58/19/1329025819.db2.gz UKIHCEUKCCUDOS-LJQANCHMSA-N 0 3 326.396 3.387 20 5 EGBDHN Cc1cc(C(F)(F)F)nn1CCNCc1cccc([N+](=O)[O-])c1C ZINC000922426456 1322527233 /nfs/dbraw/zinc/52/72/33/1322527233.db2.gz KWUGNIVTVCQVFA-UHFFFAOYSA-N 0 3 342.321 3.217 20 5 EGBDHN COc1ccc(CN[C@H](C)C2(Br)CC2)cc1[N+](=O)[O-] ZINC000924843324 1323184458 /nfs/dbraw/zinc/18/44/58/1323184458.db2.gz ZBKMTMRFHDLTAN-SECBINFHSA-N 0 3 329.194 3.009 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCNc1ccc(C)cn1 ZINC000927071156 1327841851 /nfs/dbraw/zinc/84/18/51/1327841851.db2.gz PRGUQQSUXSEVST-CYBMUJFWSA-N 0 3 330.388 3.070 20 5 EGBDHN CC(C)(C)C(=O)N1CC2(C1)CCN(Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001050736346 1348342093 /nfs/dbraw/zinc/34/20/93/1348342093.db2.gz AJHZVENUTBJBNB-UHFFFAOYSA-N 0 3 345.443 3.065 20 5 EGBDHN CC(C)CCC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001199265235 1369200384 /nfs/dbraw/zinc/20/03/84/1369200384.db2.gz MEMAYNXZTXVXKQ-UHFFFAOYSA-N 0 3 339.461 3.173 20 5 EGBDHN CC(C)C(=O)NCC1(NCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001115411864 1370440845 /nfs/dbraw/zinc/44/08/45/1370440845.db2.gz AZKAVGCPTLRNCZ-UHFFFAOYSA-N 0 3 333.432 3.160 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1Nc1cccc(CN2CCN(C)CC2)c1 ZINC001211289681 1372521755 /nfs/dbraw/zinc/52/17/55/1372521755.db2.gz IELSXXKTKGAWIE-UHFFFAOYSA-N 0 3 340.427 3.394 20 5 EGBDHN CN1CCN(Cc2ccc(Nc3cc(F)cc([N+](=O)[O-])c3)cc2)CC1 ZINC001216483913 1373310387 /nfs/dbraw/zinc/31/03/87/1373310387.db2.gz SZJUQSWNBKLKEY-UHFFFAOYSA-N 0 3 344.390 3.225 20 5 EGBDHN CC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC001129646686 1373407519 /nfs/dbraw/zinc/40/75/19/1373407519.db2.gz BELLBQDIMISAPU-UHFFFAOYSA-N 0 3 333.432 3.161 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3CC[C@@H]4NCCO[C@@H]34)c2)c1 ZINC001218128378 1373565824 /nfs/dbraw/zinc/56/58/24/1373565824.db2.gz LXQMGGGBLACDJK-IPMKNSEASA-N 0 3 340.379 3.160 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2CC[C@@H]3NCCO[C@@H]23)cc1 ZINC001218128594 1373566224 /nfs/dbraw/zinc/56/62/24/1373566224.db2.gz ROVXJMOVPJMYFW-QXAKKESOSA-N 0 3 340.379 3.160 20 5 EGBDHN Cc1ccc(O[C@@H]2CNCc3ccccc32)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001218487064 1373623433 /nfs/dbraw/zinc/62/34/33/1373623433.db2.gz GIFPQVAYQJABTN-CQSZACIVSA-N 0 3 329.312 3.035 20 5 EGBDHN Cc1ccnc(O[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC001226121450 1375206985 /nfs/dbraw/zinc/20/69/85/1375206985.db2.gz NMVIUCRMSAANIS-HOCLYGCPSA-N 0 3 327.384 3.198 20 5 EGBDHN COCCN1CCC(Oc2c(C)ccc([N+](=O)[O-])c2Cl)CC1 ZINC001226987684 1375377739 /nfs/dbraw/zinc/37/77/39/1375377739.db2.gz BUMUKNNBTKNPBF-UHFFFAOYSA-N 0 3 328.796 3.046 20 5 EGBDHN O=[N+]([O-])c1cc2ccccc2nc1N1CCNC[C@@H]1c1cccs1 ZINC001156109474 1380526320 /nfs/dbraw/zinc/52/63/20/1380526320.db2.gz CFJLZQCDJHLTPW-OAHLLOKOSA-N 0 3 340.408 3.355 20 5 EGBDHN O=[N+]([O-])c1cccc2nc(N3CCN[C@H](c4ccccc4)C3)ccc21 ZINC001157759678 1381024597 /nfs/dbraw/zinc/02/45/97/1381024597.db2.gz UEPRGVPPMIBOSN-KRWDZBQOSA-N 0 3 334.379 3.294 20 5 EGBDHN CC(C)CC1(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])CC1 ZINC001159592560 1381839983 /nfs/dbraw/zinc/83/99/83/1381839983.db2.gz KXRRDCONQJQLBC-UHFFFAOYSA-N 0 3 333.432 3.017 20 5 EGBDHN CCC(C)(C)C(=O)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001166940315 1383502342 /nfs/dbraw/zinc/50/23/42/1383502342.db2.gz GTDKFGQRKUXMDJ-UHFFFAOYSA-N 0 3 347.459 3.407 20 5 EGBDHN CC(C)(C)CCC(=O)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001168789523 1384005081 /nfs/dbraw/zinc/00/50/81/1384005081.db2.gz VBMWGOLHSNBMQA-UHFFFAOYSA-N 0 3 327.450 3.079 20 5 EGBDHN COc1ccc(C[C@@H](C)NCc2cn(C3CCC3)cn2)c([N+](=O)[O-])c1 ZINC001170325188 1384291243 /nfs/dbraw/zinc/29/12/43/1384291243.db2.gz SSCYHSZLXLMFQU-CYBMUJFWSA-N 0 3 344.415 3.246 20 5 EGBDHN CCCOC1CCN([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170347480 1384296785 /nfs/dbraw/zinc/29/67/85/1384296785.db2.gz RFPYRPPUEQYBQG-AWEZNQCLSA-N 0 3 336.432 3.425 20 5 EGBDHN COc1ccc(C[C@@H](C)N(C)Cc2cccnc2C)c([N+](=O)[O-])c1 ZINC001170355182 1384298933 /nfs/dbraw/zinc/29/89/33/1384298933.db2.gz WYAJNLQNXPLNTF-CYBMUJFWSA-N 0 3 329.400 3.370 20 5 EGBDHN C[C@H](N)c1ncc(-c2ccccc2)n1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001170686069 1384365892 /nfs/dbraw/zinc/36/58/92/1384365892.db2.gz MULOFVUXIASNFS-LBPRGKRZSA-N 0 3 348.366 3.115 20 5 EGBDHN Cc1nnc(C2CCN([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)o1 ZINC001173233545 1384941513 /nfs/dbraw/zinc/94/15/13/1384941513.db2.gz XFHOOCFIDRTLFZ-GFCCVEGCSA-N 0 3 330.388 3.097 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CCCC2)[C@@H](F)C1 ZINC001173238445 1384943012 /nfs/dbraw/zinc/94/30/12/1384943012.db2.gz SPARSDNWYIKYBX-JCGIZDLHSA-N 0 3 335.423 3.034 20 5 EGBDHN Cc1ccc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])cc1C ZINC001175133812 1385199756 /nfs/dbraw/zinc/19/97/56/1385199756.db2.gz BAIPXTFECVICOV-UHFFFAOYSA-N 0 3 341.411 3.121 20 5 EGBDHN CN(C)Cc1ccc(-n2c3ccccc3nc3cc(N)c(=O)cc2-3)cc1 ZINC001176295672 1385543503 /nfs/dbraw/zinc/54/35/03/1385543503.db2.gz KZWRJYQOUIWQGO-UHFFFAOYSA-N 0 3 344.418 3.134 20 5 EGBDHN CCCN1CCCC[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001319245947 1386023674 /nfs/dbraw/zinc/02/36/74/1386023674.db2.gz QCEWMOGGOOBIBV-OAHLLOKOSA-N 0 3 339.823 3.129 20 5 EGBDHN CC(C)(C)N1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC001319816125 1386312075 /nfs/dbraw/zinc/31/20/75/1386312075.db2.gz RTCNKNNVRLWSIJ-UHFFFAOYSA-N 0 3 343.374 3.112 20 5 EGBDHN O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1cccc2c1CNC2 ZINC001341623733 1390511410 /nfs/dbraw/zinc/51/14/10/1390511410.db2.gz OGRCZDHKARUHPF-UHFFFAOYSA-N 0 3 340.383 3.029 20 5 EGBDHN O=[N+]([O-])c1ccc(Cl)c(CNC2CCN(CC(F)F)CC2)c1 ZINC001343652445 1390728964 /nfs/dbraw/zinc/72/89/64/1390728964.db2.gz OCNDGJIRKMSEBO-UHFFFAOYSA-N 0 3 333.766 3.067 20 5 EGBDHN CCN(CCNCc1cccc([N+](=O)[O-])c1)C(=O)C1=CCCCCC1 ZINC001754041879 1440534843 /nfs/dbraw/zinc/53/48/43/1440534843.db2.gz IGVGYIHDVPGPMU-UHFFFAOYSA-N 0 3 345.443 3.423 20 5 EGBDHN O=[N+]([O-])c1ccc(OC2CCN(C[C@@H](O)c3ccccc3)CC2)cc1 ZINC000174802314 231314758 /nfs/dbraw/zinc/31/47/58/231314758.db2.gz PZNRKPMKXZSMAX-LJQANCHMSA-N 0 3 342.395 3.172 20 5 EGBDHN C[C@H](O)[C@](C)(CNCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000191711920 239260893 /nfs/dbraw/zinc/26/08/93/239260893.db2.gz YPXCQMXIONFKPR-KXBFYZLASA-N 0 3 328.412 3.314 20 5 EGBDHN C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000194005555 240398228 /nfs/dbraw/zinc/39/82/28/240398228.db2.gz ISEWBKIBFRUKGH-PWSUYJOCSA-N 0 3 325.796 3.355 20 5 EGBDHN C[C@H]1CCCC[C@H]1NCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000194005595 240398552 /nfs/dbraw/zinc/39/85/52/240398552.db2.gz ISEWBKIBFRUKGH-CMPLNLGQSA-N 0 3 325.796 3.355 20 5 EGBDHN CC(C)c1ccc([C@@H](N)CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000236735400 242339696 /nfs/dbraw/zinc/33/96/96/242339696.db2.gz PFHDYOURQXNTSZ-KRWDZBQOSA-N 0 3 327.384 3.148 20 5 EGBDHN CN(c1ccc([N+](=O)[O-])cn1)C1CCN(Cc2ccccc2)CC1 ZINC000264896355 247019591 /nfs/dbraw/zinc/01/95/91/247019591.db2.gz ARHHWUHDIFXBBF-UHFFFAOYSA-N 0 3 326.400 3.091 20 5 EGBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N(C)C ZINC000187205992 533292274 /nfs/dbraw/zinc/29/22/74/533292274.db2.gz VJKPXKMAIDSWMJ-CXAGYDPISA-N 0 3 327.384 3.016 20 5 EGBDHN Cn1cc(-c2ccc(CNCc3ccc([N+](=O)[O-])cc3)s2)cn1 ZINC000337835216 141064459 /nfs/dbraw/zinc/06/44/59/141064459.db2.gz XISYCBDZYOSNJH-UHFFFAOYSA-N 0 3 328.397 3.347 20 5 EGBDHN C[C@@H](Cn1cccn1)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000337861439 141068940 /nfs/dbraw/zinc/06/89/40/141068940.db2.gz BGXRLERNQHMSSV-ZDUSSCGKSA-N 0 3 326.356 3.230 20 5 EGBDHN Cc1cc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1 ZINC000187199563 144154153 /nfs/dbraw/zinc/15/41/53/144154153.db2.gz FBIWZJDBRVVLOD-RDTXWAMCSA-N 0 3 341.411 3.324 20 5 EGBDHN Cc1cc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1 ZINC000187199499 144154388 /nfs/dbraw/zinc/15/43/88/144154388.db2.gz FBIWZJDBRVVLOD-KSSFIOAISA-N 0 3 341.411 3.324 20 5 EGBDHN C[C@H](c1ccccc1)N(C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000302640372 154027469 /nfs/dbraw/zinc/02/74/69/154027469.db2.gz ZXGYZTPCCIBOTB-PBHICJAKSA-N 0 3 330.384 3.028 20 5 EGBDHN COc1cccc([C@H](CNc2ccc([N+](=O)[O-])c(OC)c2)N(C)C)c1 ZINC000327745923 154188625 /nfs/dbraw/zinc/18/86/25/154188625.db2.gz OQLDKYSWRUMQRM-KRWDZBQOSA-N 0 3 345.399 3.327 20 5 EGBDHN CN(CCN1CCCC1)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000349059567 156337209 /nfs/dbraw/zinc/33/72/09/156337209.db2.gz CRXVSKOHUAVSIL-UHFFFAOYSA-N 0 3 346.456 3.246 20 5 EGBDHN CC(C)(CO)[C@@H](NC/C=C\c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000354072288 165959448 /nfs/dbraw/zinc/95/94/48/165959448.db2.gz GKSSYPWJZNPDQL-POZKEBTKSA-N 0 3 341.411 3.352 20 5 EGBDHN COc1ccc(-c2ccc(CNCC[C@H](C)OC)o2)c([N+](=O)[O-])c1 ZINC000338710132 163326254 /nfs/dbraw/zinc/32/62/54/163326254.db2.gz PBTZJLVZPOKXOM-LBPRGKRZSA-N 0 3 334.372 3.378 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(N(C)CCCN(C)Cc2ccco2)c1 ZINC000338725530 163332875 /nfs/dbraw/zinc/33/28/75/163332875.db2.gz LOCSSENEVFNPIP-UHFFFAOYSA-N 0 3 333.388 3.155 20 5 EGBDHN COc1cc(C[NH2+]CC(C)(C)Oc2ccccc2)c([N+](=O)[O-])cc1[O-] ZINC000344448835 164181956 /nfs/dbraw/zinc/18/19/56/164181956.db2.gz NRAUYAJPINXYAQ-UHFFFAOYSA-N 0 3 346.383 3.256 20 5 EGBDHN COc1ccc(-c2ccc(CNCCOC(C)C)o2)c([N+](=O)[O-])c1 ZINC000350184267 165017286 /nfs/dbraw/zinc/01/72/86/165017286.db2.gz GFHSSGMEOZYSPY-UHFFFAOYSA-N 0 3 334.372 3.378 20 5 EGBDHN C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)N1CCCC[C@@H]1C ZINC000351653875 165117699 /nfs/dbraw/zinc/11/76/99/165117699.db2.gz DAZPLHGLTGJEOX-RYUDHWBXSA-N 0 3 338.383 3.118 20 5 EGBDHN CCN(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCOC(C)(C)C1 ZINC000351933442 165156976 /nfs/dbraw/zinc/15/69/76/165156976.db2.gz CNNFBJXMXRFLGU-OAHLLOKOSA-N 0 3 349.431 3.121 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H](CO)CC2CCC2)o1 ZINC000355537334 166235859 /nfs/dbraw/zinc/23/58/59/166235859.db2.gz TXUCIWCJWDXBEL-AWEZNQCLSA-N 0 3 330.384 3.496 20 5 EGBDHN CC[C@H](C)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000359561132 167194736 /nfs/dbraw/zinc/19/47/36/167194736.db2.gz QQHLRPKZUSCZPC-XHDPSFHLSA-N 0 3 349.362 3.186 20 5 EGBDHN Cc1c(CC(=O)N(CCN(C)C)c2ccccc2)cccc1[N+](=O)[O-] ZINC000163836770 226022346 /nfs/dbraw/zinc/02/23/46/226022346.db2.gz CXCDIPKTUCHKFF-UHFFFAOYSA-N 0 3 341.411 3.041 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)[C@H]1COc2ccccc21 ZINC000373774487 274099828 /nfs/dbraw/zinc/09/98/28/274099828.db2.gz YAZGIATYXJFWKL-MLGOLLRUSA-N 0 3 328.368 3.258 20 5 EGBDHN O=[N+]([O-])c1cccc(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)c1 ZINC000189611082 275220053 /nfs/dbraw/zinc/22/00/53/275220053.db2.gz UNTZUCMVNAUESH-JSGCOSHPSA-N 0 3 332.322 3.168 20 5 EGBDHN CCS[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000284823307 275829088 /nfs/dbraw/zinc/82/90/88/275829088.db2.gz AFZYVVUDWZJBLR-NJZAAPMLSA-N 0 3 337.445 3.186 20 5 EGBDHN COc1cc(CNCCCc2cccc(C)n2)c([N+](=O)[O-])cc1OC ZINC000285415723 275873467 /nfs/dbraw/zinc/87/34/67/275873467.db2.gz DITCLEHVDMGNIQ-UHFFFAOYSA-N 0 3 345.399 3.038 20 5 EGBDHN CC(C)c1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285762818 275909625 /nfs/dbraw/zinc/90/96/25/275909625.db2.gz KOVNJNLNNXLLPP-GOEBONIOSA-N 0 3 345.443 3.417 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000288180033 276188775 /nfs/dbraw/zinc/18/87/75/276188775.db2.gz BNFGZTCJRUJRDG-PBHICJAKSA-N 0 3 340.427 3.500 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 ZINC000289651512 276372361 /nfs/dbraw/zinc/37/23/61/276372361.db2.gz DHCUFYPKHOJXIO-ZDUSSCGKSA-N 0 3 348.447 3.351 20 5 EGBDHN C[C@H](NC[C@@]1(CO)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000289661730 276374215 /nfs/dbraw/zinc/37/42/15/276374215.db2.gz GTNQRKSFZYVZQG-ZOCIIQOWSA-N 0 3 326.396 3.412 20 5 EGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000344695447 277040348 /nfs/dbraw/zinc/04/03/48/277040348.db2.gz GCOBIKIPVVXTPX-INIZCTEOSA-N 0 3 345.399 3.191 20 5 EGBDHN CC[C@H](NC(=O)[C@@H](C)[C@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000162433398 288011979 /nfs/dbraw/zinc/01/19/79/288011979.db2.gz QDUSVSUKWKQCDL-KKXDTOCCSA-N 0 3 341.411 3.498 20 5 EGBDHN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000187205595 278331401 /nfs/dbraw/zinc/33/14/01/278331401.db2.gz PVHWIAZKASNUCN-DYVFJYSZSA-N 0 3 327.384 3.016 20 5 EGBDHN CC(C)c1ccc(CN(CCN(C)C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000349033980 280604303 /nfs/dbraw/zinc/60/43/03/280604303.db2.gz BLGGCXULDMTARN-QGZVFWFLSA-N 0 3 349.475 3.261 20 5 EGBDHN COc1cccc(CN(CCN(C)C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000349412398 295296115 /nfs/dbraw/zinc/29/61/15/295296115.db2.gz CFMMXHQEBZDWOO-UHFFFAOYSA-N 0 3 343.427 3.167 20 5 EGBDHN C[C@@H](NC[C@H](Cc1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000132967738 307665374 /nfs/dbraw/zinc/66/53/74/307665374.db2.gz DTTHRPZFFBVBFP-BEFAXECRSA-N 0 3 327.428 3.418 20 5 EGBDHN COc1cccc(COCCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000152080595 307745240 /nfs/dbraw/zinc/74/52/40/307745240.db2.gz VCZOAROZGQGXLU-AWEZNQCLSA-N 0 3 330.384 3.471 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CCCC(F)(F)[C@@H]1O)CCC2 ZINC000414300897 309071459 /nfs/dbraw/zinc/07/14/59/309071459.db2.gz MKVCFLNLQXXZFE-QLFBSQMISA-N 0 3 326.343 3.111 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000248427511 308002916 /nfs/dbraw/zinc/00/29/16/308002916.db2.gz OSXXQLVMJNXVQZ-QRTARXTBSA-N 0 3 331.416 3.352 20 5 EGBDHN CC(C)N(CCN(C)C)C(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000255106882 308040303 /nfs/dbraw/zinc/04/03/03/308040303.db2.gz INIIUQUCYQITNJ-VURMDHGXSA-N 0 3 339.823 3.060 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@H](O)C34CCCC4)co2)cc1 ZINC000292849438 308072381 /nfs/dbraw/zinc/07/23/81/308072381.db2.gz VMIICJSHTOSBJC-INIZCTEOSA-N 0 3 343.383 3.129 20 5 EGBDHN Cc1c(CN2CCC(CO)(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000293201045 308108872 /nfs/dbraw/zinc/10/88/72/308108872.db2.gz FTWDJIUTAQUEOE-UHFFFAOYSA-N 0 3 340.423 3.429 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C/CN1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293710588 308155078 /nfs/dbraw/zinc/15/50/78/308155078.db2.gz SIKSAWKOJQRIIA-YWPBOTNQSA-N 0 3 328.412 3.499 20 5 EGBDHN CCc1ccc([C@H](O)CN[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000293988195 308180569 /nfs/dbraw/zinc/18/05/69/308180569.db2.gz BUKPDRBQBUHNHA-KZULUSFZSA-N 0 3 329.400 3.124 20 5 EGBDHN CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H](O)C(C)C ZINC000414527009 309086393 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C[S@@](=O)C1(CN[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000417329907 309201928 /nfs/dbraw/zinc/20/19/28/309201928.db2.gz KEPSUJRHCVFDNR-QMHKHESXSA-N 0 3 336.457 3.253 20 5 EGBDHN CC1(C)C[C@H](N[C@@H]2CCN(CC(F)F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000417381084 309203765 /nfs/dbraw/zinc/20/37/65/309203765.db2.gz IBSORWVYUCWLHP-ABAIWWIYSA-N 0 3 339.386 3.246 20 5 EGBDHN Cc1ccc(CC(C)(C)NCc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000419338345 309264927 /nfs/dbraw/zinc/26/49/27/309264927.db2.gz SEYIYFPBCCFGDC-UHFFFAOYSA-N 0 3 341.411 3.113 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2cccnc2CC1 ZINC000421822980 309341591 /nfs/dbraw/zinc/34/15/91/309341591.db2.gz BXRXDAYCBLRPIN-OAHLLOKOSA-N 0 3 327.384 3.036 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)CNCC2 ZINC000422837594 309371049 /nfs/dbraw/zinc/37/10/49/309371049.db2.gz MIVPHLOEZVTBIH-UHFFFAOYSA-N 0 3 325.368 3.110 20 5 EGBDHN CC[C@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000425430864 309479922 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CCOc1ccc(NC(=O)CN[C@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451459559 310179403 /nfs/dbraw/zinc/17/94/03/310179403.db2.gz QQEHOSCIYLOVAL-INIZCTEOSA-N 0 3 347.415 3.244 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)CCCc1cccnc1 ZINC000453115206 310258841 /nfs/dbraw/zinc/25/88/41/310258841.db2.gz WOAFAGJPVOBPSK-AWEZNQCLSA-N 0 3 329.400 3.499 20 5 EGBDHN COc1cccnc1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453356313 310272680 /nfs/dbraw/zinc/27/26/80/310272680.db2.gz IDDILKDXBUDAEC-HNNXBMFYSA-N 0 3 327.384 3.109 20 5 EGBDHN Cc1ccc(C[C@@H](CO)NCc2ccc([N+](=O)[O-])cc2F)cc1C ZINC000453622146 310285081 /nfs/dbraw/zinc/28/50/81/310285081.db2.gz JGRSBOZYFWKGDO-INIZCTEOSA-N 0 3 332.375 3.044 20 5 EGBDHN C[C@H](NC(=O)NC[C@H](C)N1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000454629855 310321105 /nfs/dbraw/zinc/32/11/05/310321105.db2.gz JUUPVCIUCRSAMM-GJZGRUSLSA-N 0 3 348.447 3.075 20 5 EGBDHN CC[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N(CC)CC ZINC000456140018 310390305 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Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCN(C(C)(C)C)CC1 ZINC000539840035 314344721 /nfs/dbraw/zinc/34/47/21/314344721.db2.gz DPVQNCOQEUYZNJ-UHFFFAOYSA-N 0 3 347.459 3.466 20 5 EGBDHN O=C(CC1CCCCC1)NCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000564667977 316185520 /nfs/dbraw/zinc/18/55/20/316185520.db2.gz OKHKYKBPCWNTFT-KRWDZBQOSA-N 0 3 345.443 3.258 20 5 EGBDHN C[C@@H](NC[C@@H]1CN(c2ccccc2)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000566417406 316471446 /nfs/dbraw/zinc/47/14/46/316471446.db2.gz XTMFUQOACJPGJR-DNVCBOLYSA-N 0 3 341.411 3.151 20 5 EGBDHN C[C@@H](N[C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC000578026354 324906140 /nfs/dbraw/zinc/90/61/40/324906140.db2.gz QNXUJSBPNSBPMH-BDJLRTHQSA-N 0 3 340.383 3.424 20 5 EGBDHN C[C@H](CN(C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000578692992 325004234 /nfs/dbraw/zinc/00/42/34/325004234.db2.gz PBFYBEMPHPHOEE-GFCCVEGCSA-N 0 3 332.379 3.249 20 5 EGBDHN CCN(CC1CC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000157917953 455248411 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Cc1ccc(NC(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000045951417 454200269 /nfs/dbraw/zinc/20/02/69/454200269.db2.gz PBNRKHIYKFMAQR-KBPBESRZSA-N 0 3 334.420 3.288 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2ccsc2)c1 ZINC000058581318 454217980 /nfs/dbraw/zinc/21/79/80/454217980.db2.gz SOVFZLGQYQHBOP-RDJZCZTQSA-N 0 3 348.424 3.233 20 5 EGBDHN Cc1ccnc(N(C)C[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000078674896 454296903 /nfs/dbraw/zinc/29/69/03/454296903.db2.gz RRTAEUGZIQKIHX-QGZVFWFLSA-N 0 3 340.427 3.257 20 5 EGBDHN CSC[C@](C)(O)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000120634057 454328241 /nfs/dbraw/zinc/32/82/41/454328241.db2.gz PKOAYJFNLPJISP-MRXNPFEDSA-N 0 3 336.413 3.058 20 5 EGBDHN Cc1ccc([C@H](C)N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000047959925 454424507 /nfs/dbraw/zinc/42/45/07/454424507.db2.gz FLMBGRUVNFLBQT-YJBOKZPZSA-N 0 3 344.411 3.336 20 5 EGBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1cc3cc([N+](=O)[O-])ccc3s1)C2 ZINC000073989288 454514630 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COc1cc(CN2CCc3ccccc3CC2)c([N+](=O)[O-])cc1OC ZINC000093385333 454709477 /nfs/dbraw/zinc/70/94/77/454709477.db2.gz KBGKOYZPGGMKHV-UHFFFAOYSA-N 0 3 342.395 3.213 20 5 EGBDHN COCCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[C@H](C)C1 ZINC000616873171 460650052 /nfs/dbraw/zinc/65/00/52/460650052.db2.gz WUDXPUQMMPYHKC-QWHCGFSZSA-N 0 3 333.388 3.373 20 5 EGBDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000160552896 455474127 /nfs/dbraw/zinc/47/41/27/455474127.db2.gz ISYHZRHGNVJWTO-OLZOCXBDSA-N 0 3 337.420 3.298 20 5 EGBDHN Cc1c(CN2CCC(OC[C@@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000177458997 454866528 /nfs/dbraw/zinc/86/65/28/454866528.db2.gz UUDLLJAQVURIFW-KRWDZBQOSA-N 0 3 334.416 3.063 20 5 EGBDHN CC[C@H](C)[C@@H](O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000112381135 454885903 /nfs/dbraw/zinc/88/59/03/454885903.db2.gz MNSFFOGZNGQFLD-SJCJKPOMSA-N 0 3 348.399 3.360 20 5 EGBDHN C[C@H](NC[C@@H](Cc1ccccc1)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000154970485 454950001 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Cc1ccc([C@H](CNCc2ccc([N+](=O)[O-])cc2)N2CCCC2)o1 ZINC000237632218 455200488 /nfs/dbraw/zinc/20/04/88/455200488.db2.gz YUDBZPMVRAABTI-KRWDZBQOSA-N 0 3 329.400 3.423 20 5 EGBDHN Cc1cc(NCCCOC[C@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181506078 455345201 /nfs/dbraw/zinc/34/52/01/455345201.db2.gz XSLMMBKPHQFIAK-CQSZACIVSA-N 0 3 345.399 3.307 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CNCCOCC(F)F)o1 ZINC000190894300 455398933 /nfs/dbraw/zinc/39/89/33/455398933.db2.gz MAUBVHZWXNRMRZ-UHFFFAOYSA-N 0 3 326.299 3.226 20 5 EGBDHN NC(=O)C[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCC1 ZINC000181987990 455411047 /nfs/dbraw/zinc/41/10/47/455411047.db2.gz LCYKEAPZKPGIKY-AWEZNQCLSA-N 0 3 339.823 3.162 20 5 EGBDHN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCCN1CC ZINC000184779116 455446508 /nfs/dbraw/zinc/44/65/08/455446508.db2.gz QHPRBMFDKDGHSG-AEFFLSMTSA-N 0 3 347.459 3.154 20 5 EGBDHN O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[C@H]1c1ccccc1 ZINC000182200322 455460037 /nfs/dbraw/zinc/46/00/37/455460037.db2.gz JWDBVEKXIAFROJ-IRXDYDNUSA-N 0 3 342.395 3.172 20 5 EGBDHN Cc1ccc(C(=O)N(CCN(C)C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000175662179 455479298 /nfs/dbraw/zinc/47/92/98/455479298.db2.gz BXWJHJDUXKWWSZ-UHFFFAOYSA-N 0 3 347.440 3.169 20 5 EGBDHN COc1ccc(CN2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246864102 455531266 /nfs/dbraw/zinc/53/12/66/455531266.db2.gz PTBNGIWJAGJKDN-RDJZCZTQSA-N 0 3 345.443 3.052 20 5 EGBDHN C[C@H]1C[C@@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271530220 455674185 /nfs/dbraw/zinc/67/41/85/455674185.db2.gz RGRXJENUZGHBOA-QWRGUYRKSA-N 0 3 330.331 3.101 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](O)c1ccccc1F)CCC2 ZINC000192711836 455675945 /nfs/dbraw/zinc/67/59/45/455675945.db2.gz MAMOEWVSDQNUAG-ROUUACIJSA-N 0 3 330.359 3.435 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NCc1ccc(-n3cncn3)cc1)CCC2 ZINC000192829644 455702433 /nfs/dbraw/zinc/70/24/33/455702433.db2.gz NREAQWJBOSIZON-IBGZPJMESA-N 0 3 349.394 3.343 20 5 EGBDHN CCS[C@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284821321 455747962 /nfs/dbraw/zinc/74/79/62/455747962.db2.gz ABKIKSXWWJBBBB-JSGCOSHPSA-N 0 3 325.390 3.267 20 5 EGBDHN C[C@H]1C[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CN1C1CC1 ZINC000278356816 455828131 /nfs/dbraw/zinc/82/81/31/455828131.db2.gz JYJCKZRULVIUON-IUCAKERBSA-N 0 3 330.310 3.046 20 5 EGBDHN CSc1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285921671 455942739 /nfs/dbraw/zinc/94/27/39/455942739.db2.gz SYOQLVHKJZNLEV-TZMCWYRMSA-N 0 3 349.456 3.016 20 5 EGBDHN C[C@H]1C[C@@H](N2CCCC2)CN1c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000286179272 455994179 /nfs/dbraw/zinc/99/41/79/455994179.db2.gz AJHZSRIKJDEQLP-WDEREUQCSA-N 0 3 344.337 3.072 20 5 EGBDHN CC(=O)c1cc(N2CC[C@@H]3[C@H](CCCN3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000286197569 455998476 /nfs/dbraw/zinc/99/84/76/455998476.db2.gz LXXGXGZWZDNEDH-RDTXWAMCSA-N 0 3 343.427 3.251 20 5 EGBDHN Cc1nnc([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)[nH]1 ZINC000272808889 456075870 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CCOc1ccc([C@@H](C)NCCc2cccnc2OC)cc1[N+](=O)[O-] ZINC000290043349 456224110 /nfs/dbraw/zinc/22/41/10/456224110.db2.gz DQKZGJRFJQDHLY-CYBMUJFWSA-N 0 3 345.399 3.290 20 5 EGBDHN CN(CCCOCc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000281419379 456228048 /nfs/dbraw/zinc/22/80/48/456228048.db2.gz OPKBXAQYPSAMPC-IBGZPJMESA-N 0 3 344.411 3.167 20 5 EGBDHN CCN1C[C@@H](C)N(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000347697315 456311169 /nfs/dbraw/zinc/31/11/69/456311169.db2.gz COHULBRYMHDVTB-OKILXGFUSA-N 0 3 344.415 3.164 20 5 EGBDHN CC(C)c1ccc(C(=O)N[C@@H](C)C2=CCN(C)CC2)cc1[N+](=O)[O-] ZINC000276125927 456393880 /nfs/dbraw/zinc/39/38/80/456393880.db2.gz NTFMJUPHARPVCR-ZDUSSCGKSA-N 0 3 331.416 3.098 20 5 EGBDHN C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)N1CCCC[C@H]1C ZINC000343083107 456394648 /nfs/dbraw/zinc/39/46/48/456394648.db2.gz XUEKOLJRQYFLHW-CHWSQXEVSA-N 0 3 345.399 3.334 20 5 EGBDHN COc1cc(CN[C@@H]2CCCC23CCOCC3)c([N+](=O)[O-])cc1F ZINC000282237489 456451970 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C[C@@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)N1[C@H](C)CC[C@H]1C ZINC000276901198 456615080 /nfs/dbraw/zinc/61/50/80/456615080.db2.gz JCLGKHLITMSKQX-MXWKQRLJSA-N 0 3 331.376 3.161 20 5 EGBDHN CO[C@]1(C)C[C@H](N[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000340855437 456722209 /nfs/dbraw/zinc/72/22/09/456722209.db2.gz XOWPAPBBZQRSEM-XLWVJDPXSA-N 0 3 349.431 3.023 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000340902063 456750288 /nfs/dbraw/zinc/75/02/88/456750288.db2.gz LSCIRZCIZJIWOE-IUODEOHRSA-N 0 3 331.420 3.223 20 5 EGBDHN CC[C@H](C)N[C@@H](CNc1c([N+](=O)[O-])nc(C)n1CC)c1ccco1 ZINC000340951333 456779538 /nfs/dbraw/zinc/77/95/38/456779538.db2.gz IUGJWIQWTZQZEH-AAEUAGOBSA-N 0 3 335.408 3.254 20 5 EGBDHN C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])N(C)Cc1ccccc1 ZINC000301254546 456835763 /nfs/dbraw/zinc/83/57/63/456835763.db2.gz NJALDZRXLMINKT-LBPRGKRZSA-N 0 3 345.428 3.236 20 5 EGBDHN C[C@H](NCc1ccc(C[S@](C)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000353809728 456916460 /nfs/dbraw/zinc/91/64/60/456916460.db2.gz BUCVFTFXAFGTMO-NPMABZOXSA-N 0 3 332.425 3.324 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN2CCc3c(cnn3-c3ccccc3)C2)cc1 ZINC000339111002 456945736 /nfs/dbraw/zinc/94/57/36/456945736.db2.gz XXKUNTMERYMGHF-UHFFFAOYSA-N 0 3 348.406 3.381 20 5 EGBDHN CN(C)CCOc1ccccc1CNc1c(F)cccc1[N+](=O)[O-] ZINC000341927062 457005644 /nfs/dbraw/zinc/00/56/44/457005644.db2.gz KLZXRYXOGCMZAG-UHFFFAOYSA-N 0 3 333.363 3.286 20 5 EGBDHN C[C@@H]1C[C@@H](c2cccnc2)N(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000359870410 457136150 /nfs/dbraw/zinc/13/61/50/457136150.db2.gz IVQVHENQYUGEDK-PBHICJAKSA-N 0 3 327.384 3.452 20 5 EGBDHN Cc1cnc(N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000342197302 457162978 /nfs/dbraw/zinc/16/29/78/457162978.db2.gz GMUXLBJPTYMVPO-HOCLYGCPSA-N 0 3 326.400 3.373 20 5 EGBDHN C[C@@H](CNC(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCC[C@@H]1C ZINC000346782593 457167150 /nfs/dbraw/zinc/16/71/50/457167150.db2.gz HJVRRRQNTVAIIF-RYUDHWBXSA-N 0 3 339.823 3.241 20 5 EGBDHN 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EGBDHN CC[C@H]1CCCCN1CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412110904 458095223 /nfs/dbraw/zinc/09/52/23/458095223.db2.gz FANPBOCAILYZJB-RYQLBKOJSA-N 0 3 345.443 3.079 20 5 EGBDHN CCCCN1CCCC[C@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000446095320 458147227 /nfs/dbraw/zinc/14/72/27/458147227.db2.gz MMXOZINWZDEMJW-HNNXBMFYSA-N 0 3 333.432 3.288 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@](O)(C3CC3)C2)o1 ZINC000376040857 458173957 /nfs/dbraw/zinc/17/39/57/458173957.db2.gz CFNYCIUPFQTXAC-SFHVURJKSA-N 0 3 328.368 3.202 20 5 EGBDHN CCOC(=O)[C@@]1(C(C)C)CCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000446913709 458245963 /nfs/dbraw/zinc/24/59/63/458245963.db2.gz HJSNSADAKAGNHX-SFHVURJKSA-N 0 3 334.416 3.314 20 5 EGBDHN C[C@@H]1C[C@@H]1N1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000429014888 458256736 /nfs/dbraw/zinc/25/67/36/458256736.db2.gz ZGWSKGZUQXOWCD-QFSBIZTOSA-N 0 3 339.386 3.035 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H](C)C1CCCCC1 ZINC000447394788 458292512 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EGBDHN COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595791134 459442789 /nfs/dbraw/zinc/44/27/89/459442789.db2.gz ZSLVIZJYODSNAI-RHSMWYFYSA-N 0 3 334.416 3.385 20 5 EGBDHN CCC[C@]1(C)CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000541348623 459448397 /nfs/dbraw/zinc/44/83/97/459448397.db2.gz IFTSSEGXAFILLU-CRAIPNDOSA-N 0 3 336.432 3.237 20 5 EGBDHN O=C(CCN1CCC[C@@H]1c1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000569625388 459483432 /nfs/dbraw/zinc/48/34/32/459483432.db2.gz VSWUMQDRZALWLV-MRXNPFEDSA-N 0 3 340.383 3.156 20 5 EGBDHN CC(C)N1CCCC[C@@H]1Cn1ccc2c(cccc2[N+](=O)[O-])c1=O ZINC000596298670 459588180 /nfs/dbraw/zinc/58/81/80/459588180.db2.gz KKKAUXZKVPFXAZ-CQSZACIVSA-N 0 3 329.400 3.173 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000584271579 459696151 /nfs/dbraw/zinc/69/61/51/459696151.db2.gz URAXVVSUQHQMTM-WFASDCNBSA-N 0 3 343.349 3.198 20 5 EGBDHN Cc1c(NC(=O)N[C@H](C)CN2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000596636878 459708516 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Cc1ccc([C@H](C)NC(=O)N(C)CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000593374231 459870915 /nfs/dbraw/zinc/87/09/15/459870915.db2.gz XNNWZXYKDJFRMN-HNNXBMFYSA-N 0 3 348.447 3.092 20 5 EGBDHN CN(c1ccccc1)c1ccc(CN(C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000597256760 459897667 /nfs/dbraw/zinc/89/76/67/459897667.db2.gz YISLMUFIIDQWOQ-UHFFFAOYSA-N 0 3 341.411 3.319 20 5 EGBDHN Cc1ccc(CN(C)C)cc1NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593503793 459908752 /nfs/dbraw/zinc/90/87/52/459908752.db2.gz LEZVPQRMTRRKEY-UHFFFAOYSA-N 0 3 345.374 3.285 20 5 EGBDHN O=[N+]([O-])c1sccc1NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000609192572 459921651 /nfs/dbraw/zinc/92/16/51/459921651.db2.gz REMAEQAHRLYYBZ-UHFFFAOYSA-N 0 3 347.440 3.225 20 5 EGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCCc1cscn1 ZINC000602554210 459993867 /nfs/dbraw/zinc/99/38/67/459993867.db2.gz HBHDXNQSMJPAQN-UHFFFAOYSA-N 0 3 331.319 3.402 20 5 EGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCN1CCCCC1 ZINC000593882326 460008738 /nfs/dbraw/zinc/00/87/38/460008738.db2.gz HUBRJMPHXZHSOH-KRWDZBQOSA-N 0 3 347.459 3.108 20 5 EGBDHN CCOC(=O)C1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602619117 460026899 /nfs/dbraw/zinc/02/68/99/460026899.db2.gz MECFGUJDDKSJET-UHFFFAOYSA-N 0 3 346.305 3.047 20 5 EGBDHN Cc1ccc(CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000609894456 460037515 /nfs/dbraw/zinc/03/75/15/460037515.db2.gz OGGWFQGBXWQVGF-UHFFFAOYSA-N 0 3 325.412 3.268 20 5 EGBDHN C[C@H](c1nc(C2C[C@H]3CC[C@@H](C2)N3C)no1)c1cccc([N+](=O)[O-])c1 ZINC000589136736 460037753 /nfs/dbraw/zinc/03/77/53/460037753.db2.gz DPEHAMZRLXAMHW-PRTUASRFSA-N 0 3 342.399 3.470 20 5 EGBDHN C[C@H]1CCC[C@]1(O)CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602677598 460059380 /nfs/dbraw/zinc/05/93/80/460059380.db2.gz XDYFDZLRETXRIN-HZMBPMFUSA-N 0 3 332.322 3.254 20 5 EGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CCOc3ccccc32)n1 ZINC000618561692 460061154 /nfs/dbraw/zinc/06/11/54/460061154.db2.gz LXBGNKYARIRZTB-OWCLPIDISA-N 0 3 342.399 3.388 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCCN2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000589300185 460068479 /nfs/dbraw/zinc/06/84/79/460068479.db2.gz AKMGLZQPIZUBAN-QZTJIDSGSA-N 0 3 346.427 3.397 20 5 EGBDHN Cc1cc(NC(=O)N[C@H]2CCCN3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594080567 460091633 /nfs/dbraw/zinc/09/16/33/460091633.db2.gz KRDKVPAWUYZNDD-GOEBONIOSA-N 0 3 332.404 3.042 20 5 EGBDHN Cc1cc(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594080569 460091850 /nfs/dbraw/zinc/09/18/50/460091850.db2.gz KRDKVPAWUYZNDD-ZBFHGGJFSA-N 0 3 332.404 3.042 20 5 EGBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CC[C@H]3CCC[C@H]3C1)OCCO2 ZINC000610271369 460101418 /nfs/dbraw/zinc/10/14/18/460101418.db2.gz KWWBGZUZHXVJPJ-VNHYZAJKSA-N 0 3 332.400 3.424 20 5 EGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000597925532 460114296 /nfs/dbraw/zinc/11/42/96/460114296.db2.gz WQSHUZDXJUSUAI-HOTGVXAUSA-N 0 3 347.459 3.153 20 5 EGBDHN CC(C)(C(=O)N[C@@H]1CCCN2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594195127 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COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](CCO)Cc1ccccc1 ZINC000850466063 1322254322 /nfs/dbraw/zinc/25/43/22/1322254322.db2.gz BZHBYNXDYUNTOH-GDBMZVCRSA-N 0 3 344.411 3.248 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000932273010 1329802576 /nfs/dbraw/zinc/80/25/76/1329802576.db2.gz OTRSTJPDOXNTAW-AWEZNQCLSA-N 0 3 349.456 3.017 20 5 EGBDHN Cc1cccc(NC[C@@H]2CCCN2Cc2ccccc2[N+](=O)[O-])n1 ZINC001324297112 1387586465 /nfs/dbraw/zinc/58/64/65/1387586465.db2.gz HFJSZBBUWQXKCM-INIZCTEOSA-N 0 3 326.400 3.375 20 5 EGBDHN CC1(C(=O)NCC2(NCc3ccccc3[N+](=O)[O-])CCCCC2)CC1 ZINC001115548832 1370545639 /nfs/dbraw/zinc/54/56/39/1370545639.db2.gz VOBIFYFEVOWUSY-UHFFFAOYSA-N 0 3 345.443 3.304 20 5 EGBDHN COC(=O)CC(C)(C)N(C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001326248114 1388134322 /nfs/dbraw/zinc/13/43/22/1388134322.db2.gz MQAMRZUIOPOWMQ-UHFFFAOYSA-N 0 3 348.321 3.387 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CNCCC2(F)F)c(Cl)c1 ZINC001218446246 1373613699 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c1ccc2c(c1)nc(NCc1nnn3c1CNCCC3)c1ccccc21 ZINC001162979841 1382936064 /nfs/dbraw/zinc/93/60/64/1382936064.db2.gz TXOVDKLEUWGQOQ-UHFFFAOYSA-N 0 3 344.422 3.085 20 5 EGBDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)c2ccccc2C(F)(F)F)cc1 ZINC001335662306 1388895990 /nfs/dbraw/zinc/89/59/90/1388895990.db2.gz OFRJADDHIWZWNW-OAHLLOKOSA-N 0 3 340.301 3.437 20 5 EGBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2c(F)cccc2Br)C1 ZINC001169000988 1384083841 /nfs/dbraw/zinc/08/38/41/1384083841.db2.gz CCPWTEMQQLRHIC-NXEZZACHSA-N 0 3 331.185 3.123 20 5 EGBDHN CN(Cc1ccccc1Br)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169009095 1384087434 /nfs/dbraw/zinc/08/74/34/1384087434.db2.gz VLJVPYVPUCXBSR-DGCLKSJQSA-N 0 3 327.222 3.326 20 5 EGBDHN COC(=O)[C@H](CC1CCCCC1)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001169164321 1384118130 /nfs/dbraw/zinc/11/81/30/1384118130.db2.gz HWRFUKXUBMLHGC-INIZCTEOSA-N 0 3 347.415 3.122 20 5 EGBDHN O=C(CN[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)c1cccc(F)c1 ZINC001172907692 1384875473 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333.775 3.367 20 5 EGBDHN CC(C)C(C)(C)C(=O)NCC1(NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001754983013 1440721893 /nfs/dbraw/zinc/72/18/93/1440721893.db2.gz LSMIMWSBUNPSBK-UHFFFAOYSA-N 0 3 347.459 3.406 20 5 EGBDHN CO[C@@H]1CCC[C@H]1NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000050371367 214054395 /nfs/dbraw/zinc/05/43/95/214054395.db2.gz PQEFDSRWSHFLJK-DGCLKSJQSA-N 0 3 329.194 3.014 20 5 EGBDHN COc1cccc(CN2CCC(Nc3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000052486491 214130272 /nfs/dbraw/zinc/13/02/72/214130272.db2.gz JKYDTNVOWRFMDQ-UHFFFAOYSA-N 0 3 342.399 3.075 20 5 EGBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCO[C@@]3(CCSC3)C2)c(Cl)c1 ZINC000183916578 235261235 /nfs/dbraw/zinc/26/12/35/235261235.db2.gz KKICRLOIFNRJRD-WFASDCNBSA-N 0 3 342.848 3.393 20 5 EGBDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C2 ZINC000174660876 283260985 /nfs/dbraw/zinc/26/09/85/283260985.db2.gz ACDBOZBFQNMFJO-LSDHHAIUSA-N 0 3 345.443 3.201 20 5 EGBDHN Cc1nc(C)n(C[C@H]2CCCN([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000246990518 243349245 /nfs/dbraw/zinc/34/92/45/243349245.db2.gz AXIVKAFRKFZSPP-CJNGLKHVSA-N 0 3 343.431 3.276 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CC[C@@H](N3CCCCC3)C2)cc1OC(F)F ZINC000266418412 248291313 /nfs/dbraw/zinc/29/13/13/248291313.db2.gz RSICUFJKMVXWPB-CYBMUJFWSA-N 0 3 341.358 3.261 20 5 EGBDHN COc1ccc(COCCN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000092855767 218177203 /nfs/dbraw/zinc/17/72/03/218177203.db2.gz AYAOTKRBYGGQCW-CQSZACIVSA-N 0 3 330.384 3.471 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000268852279 252299976 /nfs/dbraw/zinc/29/99/76/252299976.db2.gz PZCQTJKJUHKEGM-CJNGLKHVSA-N 0 3 348.374 3.133 20 5 EGBDHN C[C@H](NC[C@@H](CO)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000268852246 252300342 /nfs/dbraw/zinc/30/03/42/252300342.db2.gz PXKOEESMZFPKRY-ZFWWWQNUSA-N 0 3 332.375 3.236 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000089952879 285110599 /nfs/dbraw/zinc/11/05/99/285110599.db2.gz KVFFBHHWCBSJAE-SJORKVTESA-N 0 3 336.457 3.124 20 5 EGBDHN CC1(C)CCC[C@@]1(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000339469548 141118192 /nfs/dbraw/zinc/11/81/92/141118192.db2.gz QCWRJXQQQYVMQN-MRXNPFEDSA-N 0 3 344.358 3.227 20 5 EGBDHN C[C@H](N[C@@H](C)[C@@H]1CCCOC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000348146222 141238683 /nfs/dbraw/zinc/23/86/83/141238683.db2.gz ULMBODJWYOSGLM-SGMGOOAPSA-N 0 3 346.387 3.111 20 5 EGBDHN Cc1cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)s1 ZINC000173474513 144042968 /nfs/dbraw/zinc/04/29/68/144042968.db2.gz LAQBRNXKVPKAFQ-CQSZACIVSA-N 0 3 332.429 3.355 20 5 EGBDHN C[C@@H](NCCCNC(=O)c1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178654887 144073674 /nfs/dbraw/zinc/07/36/74/144073674.db2.gz KQQZAQVSLISULX-CYBMUJFWSA-N 0 3 345.374 3.205 20 5 EGBDHN Cn1ccnc1C[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000184731667 144098364 /nfs/dbraw/zinc/09/83/64/144098364.db2.gz UOZGWCGUFRWUIU-WHWKNOJMSA-N 0 3 340.427 3.296 20 5 EGBDHN Cc1nc(N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000310372893 154142091 /nfs/dbraw/zinc/14/20/91/154142091.db2.gz OJOMLFHIASSPPF-GOEBONIOSA-N 0 3 326.400 3.373 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(Cc2ccccc2)CC1 ZINC000311045351 154144604 /nfs/dbraw/zinc/14/46/04/154144604.db2.gz HCRWCCWBWCHYAO-UHFFFAOYSA-N 0 3 343.431 3.196 20 5 EGBDHN Cc1ccc(NC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000337364805 154310463 /nfs/dbraw/zinc/31/04/63/154310463.db2.gz KLYUHVPFVWGIFY-TZMCWYRMSA-N 0 3 334.420 3.145 20 5 EGBDHN CCCCN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000112384562 162174691 /nfs/dbraw/zinc/17/46/91/162174691.db2.gz VQJFJKLRPVVNRW-UHFFFAOYSA-N 0 3 328.800 3.102 20 5 EGBDHN Cc1ccc(C(=O)Nc2cccc(OCCN(C)C)c2)cc1[N+](=O)[O-] ZINC000337252315 163180622 /nfs/dbraw/zinc/18/06/22/163180622.db2.gz LBXIYMUFWJSHFW-UHFFFAOYSA-N 0 3 343.383 3.096 20 5 EGBDHN CN(C)c1ccccc1CN(C)CCOc1ccccc1[N+](=O)[O-] ZINC000344132753 164110739 /nfs/dbraw/zinc/11/07/39/164110739.db2.gz XDKINWWZNWWXTG-UHFFFAOYSA-N 0 3 329.400 3.172 20 5 EGBDHN C[C@@H]1CCCC[C@@H]1OCCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345633639 164231231 /nfs/dbraw/zinc/23/12/31/164231231.db2.gz KPTVGKJURMWPMM-VYDXJSESSA-N 0 3 348.447 3.071 20 5 EGBDHN CCC1(CC)[C@H](N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC000359422986 167152244 /nfs/dbraw/zinc/15/22/44/167152244.db2.gz WRJLHJNHCIHHHD-DAXOMENPSA-N 0 3 349.431 3.105 20 5 EGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)c1ccco1 ZINC000359536994 167183342 /nfs/dbraw/zinc/18/33/42/167183342.db2.gz FTMFPECGEBFGQT-IAQYHMDHSA-N 0 3 349.362 3.186 20 5 EGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000359537730 167184756 /nfs/dbraw/zinc/18/47/56/167184756.db2.gz GYUHMLATUUEOFU-IUODEOHRSA-N 0 3 331.372 3.047 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2nc(CNC3(C4CC4)CCOCC3)co2)cc1 ZINC000367566804 168243307 /nfs/dbraw/zinc/24/33/07/168243307.db2.gz SGBQZTPLEMKASX-UHFFFAOYSA-N 0 3 343.383 3.299 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)N[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000175787414 265137076 /nfs/dbraw/zinc/13/70/76/265137076.db2.gz UKKFMNOKACKKEX-CABCVRRESA-N 0 3 348.447 3.138 20 5 EGBDHN Cc1cccc(NCc2ccccc2CN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000275475540 267366207 /nfs/dbraw/zinc/36/62/07/267366207.db2.gz OQGCXEOXZMNECY-KRWDZBQOSA-N 0 3 341.411 3.082 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C(C)C)C1CCCC1 ZINC000068448949 274099636 /nfs/dbraw/zinc/09/96/36/274099636.db2.gz SWYCDUWORBYXIP-UHFFFAOYSA-N 0 3 335.404 3.195 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000157574836 275195076 /nfs/dbraw/zinc/19/50/76/275195076.db2.gz BMMYQLNKZIOENF-IBGZPJMESA-N 0 3 336.395 3.365 20 5 EGBDHN CN(CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000278847956 275280413 /nfs/dbraw/zinc/28/04/13/275280413.db2.gz VINKVEBINVYTQK-AWEZNQCLSA-N 0 3 331.338 3.056 20 5 EGBDHN CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(CN(C)C)c1 ZINC000279717818 275352804 /nfs/dbraw/zinc/35/28/04/275352804.db2.gz MBUBKZHGPWWSCO-UHFFFAOYSA-N 0 3 343.383 3.307 20 5 EGBDHN C[C@@H](NCC[C@](C)(O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285325851 275864918 /nfs/dbraw/zinc/86/49/18/275864918.db2.gz UABMCNFQOHHBDT-ACJLOTCBSA-N 0 3 329.400 3.125 20 5 EGBDHN CC(=O)Nc1ccccc1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000289600658 276364454 /nfs/dbraw/zinc/36/44/54/276364454.db2.gz VDWHLJNMUKMIRM-UHFFFAOYSA-N 0 3 327.384 3.228 20 5 EGBDHN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1=CCN(C)CC1 ZINC000289743451 276386853 /nfs/dbraw/zinc/38/68/53/276386853.db2.gz QQWGTQWEOSLYTR-JTQLQIEISA-N 0 3 338.795 3.020 20 5 EGBDHN CC[C@@H](C)N[C@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000359567271 276418765 /nfs/dbraw/zinc/41/87/65/276418765.db2.gz WTYIFLSFVUJBKK-UKRRQHHQSA-N 0 3 345.399 3.355 20 5 EGBDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000122789668 277203992 /nfs/dbraw/zinc/20/39/92/277203992.db2.gz NNHPBKGAJLMZDP-KBPBESRZSA-N 0 3 335.404 3.130 20 5 EGBDHN CC(=O)c1cc(N2CCCC3(CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376424148 278244062 /nfs/dbraw/zinc/24/40/62/278244062.db2.gz YPQCHDLJKGZGAQ-UHFFFAOYSA-N 0 3 331.416 3.110 20 5 EGBDHN CN(C)CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000348925760 289148102 /nfs/dbraw/zinc/14/81/02/289148102.db2.gz XZNADIVGQGKWIP-UHFFFAOYSA-N 0 3 331.391 3.298 20 5 EGBDHN COc1ccc(NC(=O)CNC(C)(C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000053123308 307334912 /nfs/dbraw/zinc/33/49/12/307334912.db2.gz SCTKAXDYRRWORY-UHFFFAOYSA-N 0 3 337.420 3.346 20 5 EGBDHN COc1ccc(NC(=O)CN[C@@H]2CCCCC2(C)C)c([N+](=O)[O-])c1 ZINC000119883953 307500811 /nfs/dbraw/zinc/50/08/11/307500811.db2.gz YBBJPGGDNWGUIS-OAHLLOKOSA-N 0 3 335.404 3.100 20 5 EGBDHN COc1cc(OC)cc(OCCCNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000151145463 307729066 /nfs/dbraw/zinc/72/90/66/307729066.db2.gz XCQCFXSFQXQRIU-UHFFFAOYSA-N 0 3 346.383 3.171 20 5 EGBDHN COc1ccc([C@@H](CO)CN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000414181760 309065321 /nfs/dbraw/zinc/06/53/21/309065321.db2.gz MTVWXGMXJHKAIN-WMLDXEAASA-N 0 3 344.411 3.339 20 5 EGBDHN CC1(C)C[C@@H](N[C@@H]2CCCC(F)(F)[C@H]2O)c2cc([N+](=O)[O-])ccc21 ZINC000414294797 309071185 /nfs/dbraw/zinc/07/11/85/309071185.db2.gz FAPSUMQWRVSLKJ-KFWWJZLASA-N 0 3 340.370 3.456 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](NC[C@H](CO)c1ccc(F)cc1)CCC2 ZINC000414305868 309071741 /nfs/dbraw/zinc/07/17/41/309071741.db2.gz YVOGIMQFJCISHA-DNVCBOLYSA-N 0 3 344.386 3.477 20 5 EGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C[C@H]1c1ccco1 ZINC000414341067 309073936 /nfs/dbraw/zinc/07/39/36/309073936.db2.gz NZQBVOQTPQKROD-KCPJHIHWSA-N 0 3 329.356 3.051 20 5 EGBDHN COc1cc(CNc2ccc(C[NH+](C)C)cc2F)c([N+](=O)[O-])cc1[O-] ZINC000414490113 309084133 /nfs/dbraw/zinc/08/41/33/309084133.db2.gz QUQQFFFCEHFAKH-UHFFFAOYSA-N 0 3 349.362 3.122 20 5 EGBDHN O=C1CCCN1[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000414551603 309088471 /nfs/dbraw/zinc/08/84/71/309088471.db2.gz OSBBMJXDRYTQAZ-RJIDQJRZSA-N 0 3 343.427 3.085 20 5 EGBDHN C[C@H](c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000295592969 308341682 /nfs/dbraw/zinc/34/16/82/308341682.db2.gz MQTCIBSQGACSKU-ZIAGYGMSSA-N 0 3 333.432 3.269 20 5 EGBDHN CN(C(=O)CCNC(C)(C)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000298357938 308606702 /nfs/dbraw/zinc/60/67/02/308606702.db2.gz MUODYPMCDVJTCN-UHFFFAOYSA-N 0 3 341.411 3.473 20 5 EGBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CN1C1CC1 ZINC000413185711 309020344 /nfs/dbraw/zinc/02/03/44/309020344.db2.gz NQNGFTDBHDWOOD-DTWKUNHWSA-N 0 3 330.310 3.046 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413330232 309027191 /nfs/dbraw/zinc/02/71/91/309027191.db2.gz ZYMKQYOVVGZSST-CQSZACIVSA-N 0 3 344.390 3.087 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1ccc2c(c1)CNC2 ZINC000415480807 309134679 /nfs/dbraw/zinc/13/46/79/309134679.db2.gz IJGKZPLFULDGAG-UHFFFAOYSA-N 0 3 340.383 3.137 20 5 EGBDHN C[C@H](NC(=O)C[C@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000416237182 309165228 /nfs/dbraw/zinc/16/52/28/309165228.db2.gz DGULYDIBQNZKNB-KBXCAEBGSA-N 0 3 341.411 3.465 20 5 EGBDHN O=C1C[C@H](N[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@@H]2CCCCN12 ZINC000417329882 309201862 /nfs/dbraw/zinc/20/18/62/309201862.db2.gz KBKSWIWWDUZDSU-SQNIBIBYSA-N 0 3 343.427 3.105 20 5 EGBDHN CCc1ccccc1[C@@H](N)CNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000420289001 309279450 /nfs/dbraw/zinc/27/94/50/309279450.db2.gz YZJJTOCYJKYVCI-KRWDZBQOSA-N 0 3 327.384 3.472 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C1CCN(C)CC1 ZINC000421495634 309327130 /nfs/dbraw/zinc/32/71/30/309327130.db2.gz JZKJYOXFCUMYBW-CQSZACIVSA-N 0 3 333.432 3.014 20 5 EGBDHN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)[C@@H](N)c1ccccc1 ZINC000422992471 309379893 /nfs/dbraw/zinc/37/98/93/309379893.db2.gz COVOHVHHLDDMMZ-KRWDZBQOSA-N 0 3 341.411 3.279 20 5 EGBDHN COc1ccc(NC(=O)C(C)(C)[C@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000423723281 309410782 /nfs/dbraw/zinc/41/07/82/309410782.db2.gz LJLKXWRWJAONFD-MRXNPFEDSA-N 0 3 343.383 3.268 20 5 EGBDHN CCC(CC)(CCO)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000425447413 309480734 /nfs/dbraw/zinc/48/07/34/309480734.db2.gz RSOZCBGQJCHDGC-UHFFFAOYSA-N 0 3 345.237 3.388 20 5 EGBDHN CCOc1ccccc1CN[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529326 309980950 /nfs/dbraw/zinc/98/09/50/309980950.db2.gz LQXGOZJEFGZFBM-HZPDHXFCSA-N 0 3 344.415 3.464 20 5 EGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1ccc(OCC2CC2)nc1 ZINC000449111674 310037901 /nfs/dbraw/zinc/03/79/01/310037901.db2.gz AOWBWGPPFMPFPJ-CQSZACIVSA-N 0 3 341.411 3.499 20 5 EGBDHN CC[C@@H]1C[C@H]1CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000449483708 310065768 /nfs/dbraw/zinc/06/57/68/310065768.db2.gz JYLYMOHCRHDDKQ-MNOVXSKESA-N 0 3 344.358 3.383 20 5 EGBDHN CC(C)(C)O[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)[C@H]1n1cccn1 ZINC000449656674 310078089 /nfs/dbraw/zinc/07/80/89/310078089.db2.gz LWFABHMQKIJBBA-BRWVUGGUSA-N 0 3 344.415 3.078 20 5 EGBDHN COc1ccc(-c2ccc(CNC[C@H](O)C3CCC3)o2)c([N+](=O)[O-])c1 ZINC000449738262 310083396 /nfs/dbraw/zinc/08/33/96/310083396.db2.gz ALLDPJUCQKHBJY-KRWDZBQOSA-N 0 3 346.383 3.114 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](N[C@H]2CC[C@@H](CO)C2)c2ccccc2)c1 ZINC000453276383 310268651 /nfs/dbraw/zinc/26/86/51/310268651.db2.gz YYBNQCLIKKJUPF-LJHODMEESA-N 0 3 326.396 3.435 20 5 EGBDHN C[C@@H]1C[C@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c2nccn21 ZINC000453335974 310271700 /nfs/dbraw/zinc/27/17/00/310271700.db2.gz FEVCNOSZGIXPQE-KCXAZCMYSA-N 0 3 326.400 3.408 20 5 EGBDHN CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)N(CC)CC ZINC000456170235 310391744 /nfs/dbraw/zinc/39/17/44/310391744.db2.gz BTFJWYYNTXKZRX-MRXNPFEDSA-N 0 3 336.436 3.474 20 5 EGBDHN Cc1cc(NC(=O)Cc2cccc([N+](=O)[O-])c2C)ccc1CN(C)C ZINC000458267114 310495373 /nfs/dbraw/zinc/49/53/73/310495373.db2.gz FELHXXLZGXDXOZ-UHFFFAOYSA-N 0 3 341.411 3.454 20 5 EGBDHN CCOc1ccc(NC(=O)CN[C@@H]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000481187452 310907976 /nfs/dbraw/zinc/90/79/76/310907976.db2.gz GKGDEMHBVQIROE-UMVBOHGHSA-N 0 3 349.431 3.346 20 5 EGBDHN CCN1CCCC[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488917363 311084709 /nfs/dbraw/zinc/08/47/09/311084709.db2.gz MDEDYPBFADVNIH-CQSZACIVSA-N 0 3 348.447 3.004 20 5 EGBDHN C[C@H](C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1[C@H](C)CC[C@@H]1C ZINC000515430654 312282455 /nfs/dbraw/zinc/28/24/55/312282455.db2.gz GGJFLAQTCXWUNY-QLFBSQMISA-N 0 3 345.443 3.347 20 5 EGBDHN COc1ccc(F)cc1[C@H](C)NCCOc1cccc([N+](=O)[O-])c1 ZINC000539271148 314304125 /nfs/dbraw/zinc/30/41/25/314304125.db2.gz VQYKXKMJZIIDQK-LBPRGKRZSA-N 0 3 334.347 3.472 20 5 EGBDHN C[C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Cn1cccn1 ZINC000549170244 315079736 /nfs/dbraw/zinc/07/97/36/315079736.db2.gz JXQVZAYMSPXRBN-CQSZACIVSA-N 0 3 340.383 3.477 20 5 EGBDHN O=C(CCN[C@H]1CCc2ccc(F)cc21)Nc1ccccc1[N+](=O)[O-] ZINC000568741549 316816088 /nfs/dbraw/zinc/81/60/88/316816088.db2.gz XOEUDQBDVFMTKU-HNNXBMFYSA-N 0 3 343.358 3.340 20 5 EGBDHN N[C@H](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1 ZINC000572606318 317363957 /nfs/dbraw/zinc/36/39/57/317363957.db2.gz NCIFAXRQSROKJH-GOSISDBHSA-N 0 3 339.395 3.176 20 5 EGBDHN CC1(C)C[C@H](NC[C@@H](CO)Cc2ccco2)c2cc([N+](=O)[O-])ccc21 ZINC000572820197 317396197 /nfs/dbraw/zinc/39/61/97/317396197.db2.gz AJRWVBALEJWUBO-UGSOOPFHSA-N 0 3 344.411 3.351 20 5 EGBDHN CN(C)Cc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000577982139 324898435 /nfs/dbraw/zinc/89/84/35/324898435.db2.gz KRONYLQHFMGNRQ-UHFFFAOYSA-N 0 3 347.802 3.491 20 5 EGBDHN O=[N+]([O-])c1cc(CNC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000189602283 455222312 /nfs/dbraw/zinc/22/23/12/455222312.db2.gz KPPPIXXKGFUOEU-PWSUYJOCSA-N 0 3 338.351 3.230 20 5 EGBDHN O=[N+]([O-])c1cc(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cs1 ZINC000189602262 455222531 /nfs/dbraw/zinc/22/25/31/455222531.db2.gz KPPPIXXKGFUOEU-CMPLNLGQSA-N 0 3 338.351 3.230 20 5 EGBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CC[C@@](O)(C(F)(F)F)C2)c(Cl)c1 ZINC000589938155 459053604 /nfs/dbraw/zinc/05/36/04/459053604.db2.gz GOGZODPJAFIQFU-SKDRFNHKSA-N 0 3 338.713 3.184 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCC[C@H]3CCO)cs2)c1 ZINC000189925569 455254536 /nfs/dbraw/zinc/25/45/36/455254536.db2.gz WAAITMKUZPSYRB-LRDDRELGSA-N 0 3 347.440 3.359 20 5 EGBDHN C[C@@H](NCCN1CCc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173305208 455262338 /nfs/dbraw/zinc/26/23/38/455262338.db2.gz VOAOHBUISISDKJ-OAHLLOKOSA-N 0 3 325.412 3.304 20 5 EGBDHN CC(=O)Nc1cccc(OCCN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173383275 455276412 /nfs/dbraw/zinc/27/64/12/455276412.db2.gz RHVAAZMDUMMNQF-ZDUSSCGKSA-N 0 3 343.383 3.283 20 5 EGBDHN CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC[C@H]1O ZINC000245693991 455357551 /nfs/dbraw/zinc/35/75/51/455357551.db2.gz AZQLMEAQDXSECF-RHSMWYFYSA-N 0 3 330.384 3.448 20 5 EGBDHN CN(C)CCCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000067949592 453983094 /nfs/dbraw/zinc/98/30/94/453983094.db2.gz CPWYTAIEHYEHQG-UHFFFAOYSA-N 0 3 327.384 3.189 20 5 EGBDHN Cc1ccc(CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC000076342872 453991347 /nfs/dbraw/zinc/99/13/47/453991347.db2.gz XBXGRAFRJDIFBG-UHFFFAOYSA-N 0 3 333.413 3.425 20 5 EGBDHN CCCCNC(=O)C1(NCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000085906741 454041562 /nfs/dbraw/zinc/04/15/62/454041562.db2.gz VAUUMAOGEQFQBJ-UHFFFAOYSA-N 0 3 333.432 3.304 20 5 EGBDHN CN(C)CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000087209663 454069976 /nfs/dbraw/zinc/06/99/76/454069976.db2.gz VODJQJKOOVVNIL-UHFFFAOYSA-N 0 3 341.411 3.122 20 5 EGBDHN CN(C)Cc1cccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000043966537 454084651 /nfs/dbraw/zinc/08/46/51/454084651.db2.gz DFAXHPAAQRIRKT-UHFFFAOYSA-N 0 3 347.802 3.240 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN[C@H](c2ccccc2F)C2CCCC2)c1 ZINC000091399945 454432389 /nfs/dbraw/zinc/43/23/89/454432389.db2.gz RGEXJJCFVCLNIF-KRWDZBQOSA-N 0 3 332.379 3.452 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@H](CO)CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000102424175 454505098 /nfs/dbraw/zinc/50/50/98/454505098.db2.gz VJTYJUANUPYDAA-ZDUSSCGKSA-N 0 3 348.399 3.360 20 5 EGBDHN C[C@@H](CN1CCCCC1)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080074056 454529340 /nfs/dbraw/zinc/52/93/40/454529340.db2.gz SPNYDMQOAWVRII-AWEZNQCLSA-N 0 3 348.447 3.004 20 5 EGBDHN CN(C)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000052486066 454676455 /nfs/dbraw/zinc/67/64/55/454676455.db2.gz WGBLFRBGGCIOLP-LBPRGKRZSA-N 0 3 349.391 3.158 20 5 EGBDHN Cc1cccc(OC[C@@H](O)CN[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000152886960 454737206 /nfs/dbraw/zinc/73/72/06/454737206.db2.gz IZBSVEHQQMMNSA-WBVHZDCISA-N 0 3 344.411 3.302 20 5 EGBDHN Cc1cccc(OC[C@@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000152895789 454738203 /nfs/dbraw/zinc/73/82/03/454738203.db2.gz RTCGSCGUMJEEDE-CVEARBPZSA-N 0 3 344.411 3.302 20 5 EGBDHN Cc1ccc(C(=O)NCCN[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1F ZINC000124855915 454776905 /nfs/dbraw/zinc/77/69/05/454776905.db2.gz DFIMTCABXWDZFU-ZDUSSCGKSA-N 0 3 345.374 3.123 20 5 EGBDHN CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccccn1 ZINC000125326840 454815302 /nfs/dbraw/zinc/81/53/02/454815302.db2.gz NJMRPEJRIALLCH-UHFFFAOYSA-N 0 3 342.399 3.149 20 5 EGBDHN O=C(NC1CCN(Cc2ccccc2)CC1)c1csc([N+](=O)[O-])c1 ZINC000143675787 454844720 /nfs/dbraw/zinc/84/47/20/454844720.db2.gz IWGUKGJENCIXEM-UHFFFAOYSA-N 0 3 345.424 3.051 20 5 EGBDHN COC(=O)C(C)(C)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000182231528 455466931 /nfs/dbraw/zinc/46/69/31/455466931.db2.gz FJCKKVXQWQMIIH-UHFFFAOYSA-N 0 3 332.356 3.144 20 5 EGBDHN CCC[C@H](NCCN1CCC(OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000163692888 454861332 /nfs/dbraw/zinc/86/13/32/454861332.db2.gz XBRVWDNTNPZFTD-SFHVURJKSA-N 0 3 335.448 3.136 20 5 EGBDHN Cc1c(CN2CCC(OC[C@H]3CCCO3)CC2)cccc1[N+](=O)[O-] ZINC000177459013 454866584 /nfs/dbraw/zinc/86/65/84/454866584.db2.gz UUDLLJAQVURIFW-QGZVFWFLSA-N 0 3 334.416 3.063 20 5 EGBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000113197226 454916855 /nfs/dbraw/zinc/91/68/55/454916855.db2.gz GUUSMQWGVUWYDB-ZDUSSCGKSA-N 0 3 339.823 3.243 20 5 EGBDHN CC[C@H]1CCCCN1CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000113247774 454918833 /nfs/dbraw/zinc/91/88/33/454918833.db2.gz LGFRAJKOHLCUMM-AWEZNQCLSA-N 0 3 346.431 3.156 20 5 EGBDHN CCN(CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000113332824 454923014 /nfs/dbraw/zinc/92/30/14/454923014.db2.gz RBGFHNWKQGBAIX-UHFFFAOYSA-N 0 3 346.456 3.292 20 5 EGBDHN COc1cccc2c1OC[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000178653874 454966019 /nfs/dbraw/zinc/96/60/19/454966019.db2.gz HHYZTXYTSDDQKX-SWLSCSKDSA-N 0 3 328.368 3.258 20 5 EGBDHN CC(C)N(CCN(C)C)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000151758990 455027111 /nfs/dbraw/zinc/02/71/11/455027111.db2.gz INIIUQUCYQITNJ-SOFGYWHQSA-N 0 3 339.823 3.060 20 5 EGBDHN Cc1occc1CN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128353910 455048312 /nfs/dbraw/zinc/04/83/12/455048312.db2.gz MRUVSAYURTUIAJ-UHFFFAOYSA-N 0 3 335.335 3.096 20 5 EGBDHN Cc1ccc(OC[C@H](O)CN[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000180451781 455172498 /nfs/dbraw/zinc/17/24/98/455172498.db2.gz CSUNZHMZYPLCKZ-MAUKXSAKSA-N 0 3 344.411 3.302 20 5 EGBDHN CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1(c2ccccc2)CC1 ZINC000189318346 455176221 /nfs/dbraw/zinc/17/62/21/455176221.db2.gz UVHIRXZBEOJUFY-SFHVURJKSA-N 0 3 326.396 3.292 20 5 EGBDHN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCCN1CC ZINC000184779132 455446526 /nfs/dbraw/zinc/44/65/26/455446526.db2.gz QHPRBMFDKDGHSG-FUHWJXTLSA-N 0 3 347.459 3.154 20 5 EGBDHN C[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000182688154 455568937 /nfs/dbraw/zinc/56/89/37/455568937.db2.gz HXCGQDDVLMUEHU-CYBMUJFWSA-N 0 3 331.416 3.042 20 5 EGBDHN Cc1c([C@H](C)N[C@@H](CO)C[C@@H](O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000271465077 455647149 /nfs/dbraw/zinc/64/71/49/455647149.db2.gz GQGQFCYUOATSLJ-ZSZQSSIHSA-N 0 3 344.411 3.038 20 5 EGBDHN COc1ccc(NC(=O)CN(C)[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000192622798 455655442 /nfs/dbraw/zinc/65/54/42/455655442.db2.gz PLQGTCRBDGPDKG-DOMZBBRYSA-N 0 3 335.404 3.052 20 5 EGBDHN Cc1c([C@@H](C)NCCOCC(F)(F)C(F)F)cccc1[N+](=O)[O-] ZINC000278188473 455782128 /nfs/dbraw/zinc/78/21/28/455782128.db2.gz BXIPHBXGGCOZCV-SNVBAGLBSA-N 0 3 338.301 3.471 20 5 EGBDHN CCS[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285697811 455899224 /nfs/dbraw/zinc/89/92/24/455899224.db2.gz COHGFVDZSDWASF-BYCMXARLSA-N 0 3 337.445 3.186 20 5 EGBDHN CC(C)c1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285762820 455910833 /nfs/dbraw/zinc/91/08/33/455910833.db2.gz KOVNJNLNNXLLPP-HOCLYGCPSA-N 0 3 345.443 3.417 20 5 EGBDHN COc1ccc(OC)c([C@H](C)NCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000195195521 455931519 /nfs/dbraw/zinc/93/15/19/455931519.db2.gz HNLQRIRDILLVGC-ZDUSSCGKSA-N 0 3 346.383 3.342 20 5 EGBDHN CC(=O)c1cc(N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000286195424 455998637 /nfs/dbraw/zinc/99/86/37/455998637.db2.gz LXXGXGZWZDNEDH-KSSFIOAISA-N 0 3 343.427 3.251 20 5 EGBDHN CSc1ccccc1CN(C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000280590782 456007906 /nfs/dbraw/zinc/00/79/06/456007906.db2.gz WPAKYJZWGWZCON-INIZCTEOSA-N 0 3 332.425 3.482 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CCN(CC3CC3)CC2)cc1C(F)(F)F ZINC000301367956 456100674 /nfs/dbraw/zinc/10/06/74/456100674.db2.gz RDYXWGSZNOVNTL-UHFFFAOYSA-N 0 3 329.322 3.146 20 5 EGBDHN Cc1ccc(C[C@@H](CO)NC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000188967551 456185746 /nfs/dbraw/zinc/18/57/46/456185746.db2.gz RPRJWSGAEDZTTM-JXTAAOLFSA-N 0 3 326.396 3.110 20 5 EGBDHN CN(C)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000301727408 456199016 /nfs/dbraw/zinc/19/90/16/456199016.db2.gz BGBRINVEZXRWQD-AWEZNQCLSA-N 0 3 338.770 3.497 20 5 EGBDHN COc1cc(N[C@@H]2CCN(CC3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000301930238 456253032 /nfs/dbraw/zinc/25/30/32/456253032.db2.gz NXYFRAYWMXOOOL-CYBMUJFWSA-N 0 3 337.395 3.419 20 5 EGBDHN CC(C)c1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000275911298 456347549 /nfs/dbraw/zinc/34/75/49/456347549.db2.gz WENIQQHYWRGXRD-INIZCTEOSA-N 0 3 345.443 3.419 20 5 EGBDHN C[C@@H](NCc1ccccc1Cn1cncn1)c1ccc([N+](=O)[O-])cc1 ZINC000337806229 456558913 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20 5 EGBDHN CN(CCN(C)C1CC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000349386321 456961084 /nfs/dbraw/zinc/96/10/84/456961084.db2.gz RQYDSNCIWOSMSC-UHFFFAOYSA-N 0 3 329.400 3.381 20 5 EGBDHN COc1ccc([C@H](OC)[C@@H](C)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000357350542 457466261 /nfs/dbraw/zinc/46/62/61/457466261.db2.gz JRASOBSAXRXXEF-FZKQIMNGSA-N 0 3 330.384 3.469 20 5 EGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCC(=O)Nc1cccc(F)c1 ZINC000425382455 457529323 /nfs/dbraw/zinc/52/93/23/457529323.db2.gz NYUUZTKPNPICQX-CYBMUJFWSA-N 0 3 345.374 3.283 20 5 EGBDHN Cc1ccc(CNc2cccc(CN3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000361082923 457572355 /nfs/dbraw/zinc/57/23/55/457572355.db2.gz OQBUOCQJQSTFMH-SFHVURJKSA-N 0 3 341.411 3.082 20 5 EGBDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1)N(C)C ZINC000357845392 457709578 /nfs/dbraw/zinc/70/95/78/457709578.db2.gz CQCMJGXJLADJNO-WBMJQRKESA-N 0 3 347.440 3.386 20 5 EGBDHN Cc1c([C@@H](C)NCc2ccc(OCCO)cc2)cccc1[N+](=O)[O-] ZINC000358026231 457744219 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EGBDHN CCCCN(C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000485600953 459461785 /nfs/dbraw/zinc/46/17/85/459461785.db2.gz NXASRQABIAJMQP-UHFFFAOYSA-N 0 3 348.447 3.001 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC12CCN(C)CC2 ZINC000569653885 459486079 /nfs/dbraw/zinc/48/60/79/459486079.db2.gz XGBFZBDNCLHNBP-UHFFFAOYSA-N 0 3 346.431 3.249 20 5 EGBDHN CCOc1cc(CN2CCC[C@@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000592134903 459532994 /nfs/dbraw/zinc/53/29/94/459532994.db2.gz SFAIMBXVKATJEG-JKSUJKDBSA-N 0 3 334.416 3.385 20 5 EGBDHN O=[N+]([O-])c1cc(C(F)F)ccc1NC1CCN([C@@H]2CCOC2)CC1 ZINC000596168827 459545934 /nfs/dbraw/zinc/54/59/34/459545934.db2.gz XUGBMFOCTSXWOB-CYBMUJFWSA-N 0 3 341.358 3.198 20 5 EGBDHN CCN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000498746456 459604160 /nfs/dbraw/zinc/60/41/60/459604160.db2.gz FXTOFJYYEQHQLH-UHFFFAOYSA-N 0 3 343.383 3.069 20 5 EGBDHN Cc1cc(N[C@@H]2CN(C)Cc3ccccc32)c2cc([N+](=O)[O-])ccc2n1 ZINC000543047074 459619643 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348.321 3.434 20 5 EGBDHN C[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(OCC2CC2)c(F)c1 ZINC000181569613 533877364 /nfs/dbraw/zinc/87/73/64/533877364.db2.gz YLQOEBLAWBVMHM-LBPRGKRZSA-N 0 3 348.378 3.070 20 5 EGBDHN CO[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C12CCC2 ZINC000459724323 518116683 /nfs/dbraw/zinc/11/66/83/518116683.db2.gz ANIHQMCSIFSNPD-ZIAGYGMSSA-N 0 3 342.342 3.243 20 5 EGBDHN CC[C@@H](NCCNC(=O)c1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000178453786 529166413 /nfs/dbraw/zinc/16/64/13/529166413.db2.gz FICLDKXHRVKXSD-QGZVFWFLSA-N 0 3 345.374 3.205 20 5 EGBDHN CCCCCN(CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000266018571 535041795 /nfs/dbraw/zinc/04/17/95/535041795.db2.gz VQAQSHJMWBSOPM-UHFFFAOYSA-N 0 3 347.415 3.277 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)[C@H]1COc2ccccc21 ZINC000185555747 536956150 /nfs/dbraw/zinc/95/61/50/536956150.db2.gz LXVSVOGZEPJDFX-BLLLJJGKSA-N 0 3 328.368 3.258 20 5 EGBDHN COc1cccc2c1OC[C@H](NC/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000728300688 574736714 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C[C@@H]1CCC[C@H](C)CN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000172919780 1294449188 /nfs/dbraw/zinc/44/91/88/1294449188.db2.gz CWZNBCLWQFUEMD-UONOGXRCSA-N 0 3 329.404 3.321 20 5 EGBDHN CC(C)c1ccc(CN2CCC[C@@H](C3OCCO3)C2)cc1[N+](=O)[O-] ZINC000179371109 1294791090 /nfs/dbraw/zinc/79/10/90/1294791090.db2.gz GSIYFEOKIKXNDN-OAHLLOKOSA-N 0 3 334.416 3.303 20 5 EGBDHN C[C@@H]1OCC[C@@]1(C)NCc1ccc(Br)c([N+](=O)[O-])c1 ZINC000230155749 1296161302 /nfs/dbraw/zinc/16/13/02/1296161302.db2.gz TYZGUNGTUSLNMZ-TVQRCGJNSA-N 0 3 329.194 3.014 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCOc1cccnc1 ZINC000872034841 1296684032 /nfs/dbraw/zinc/68/40/32/1296684032.db2.gz LINUUVBLKJSQOP-GFCCVEGCSA-N 0 3 333.413 3.441 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCCOC[C@H]1CCCO1 ZINC000872036080 1296686237 /nfs/dbraw/zinc/68/62/37/1296686237.db2.gz RTRSZRTWTQJERM-GXTWGEPZSA-N 0 3 340.445 3.163 20 5 EGBDHN CC[C@@H](NC[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1OC ZINC000749669356 1299253742 /nfs/dbraw/zinc/25/37/42/1299253742.db2.gz DDPSLTWBMPLWOM-IAGOWNOFSA-N 0 3 330.384 3.378 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN[C@H]2CCCOc3ccc(F)cc32)c1 ZINC000749684342 1299255697 /nfs/dbraw/zinc/25/56/97/1299255697.db2.gz BLTUXULFOBIFLM-IRXDYDNUSA-N 0 3 346.358 3.271 20 5 EGBDHN COC(=O)CC[C@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000877822640 1299588359 /nfs/dbraw/zinc/58/83/59/1299588359.db2.gz SYFYRUIIBDQDLO-GTBONMDNSA-N 0 3 332.400 3.273 20 5 EGBDHN COc1cccc([C@@H]2CN(Cc3cccc([N+](=O)[O-])c3C)CCN2)c1 ZINC000879526659 1300583481 /nfs/dbraw/zinc/58/34/81/1300583481.db2.gz PVHFKTXAKHDLHE-SFHVURJKSA-N 0 3 341.411 3.058 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C(F)(F)F)C1 ZINC000761043624 1301390361 /nfs/dbraw/zinc/39/03/61/1301390361.db2.gz FGFLRWUUZYVSSH-LLVKDONJSA-N 0 3 345.321 3.116 20 5 EGBDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881837044 1301736674 /nfs/dbraw/zinc/73/66/74/1301736674.db2.gz NGXPIPWTYWBPOQ-GXTWGEPZSA-N 0 3 330.363 3.376 20 5 EGBDHN COc1ccc(F)cc1[C@@H](C)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765848656 1302338151 /nfs/dbraw/zinc/33/81/51/1302338151.db2.gz LEJPLPPRFRWXJW-BDJLRTHQSA-N 0 3 334.347 3.127 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CCN(Cc3cccc4cc[nH]c43)CC2)cc1 ZINC000768149336 1302836838 /nfs/dbraw/zinc/83/68/38/1302836838.db2.gz FPTVSGONHBGDIB-UHFFFAOYSA-N 0 3 336.395 3.398 20 5 EGBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000776591900 1304176763 /nfs/dbraw/zinc/17/67/63/1304176763.db2.gz RAHPWAPLZOXFFS-HKUYNNGSSA-N 0 3 341.411 3.205 20 5 EGBDHN CC(C)(C)[C@@H]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000784036271 1305180278 /nfs/dbraw/zinc/18/02/78/1305180278.db2.gz SQCMZJAAUOOYSB-CQSZACIVSA-N 0 3 329.404 3.179 20 5 EGBDHN Cc1nnc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000894772775 1309061851 /nfs/dbraw/zinc/06/18/51/1309061851.db2.gz BHNYGVYLOBYGOL-WHOFXGATSA-N 0 3 329.404 3.083 20 5 EGBDHN CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCC(C)(C)C1 ZINC000794688183 1309576685 /nfs/dbraw/zinc/57/66/85/1309576685.db2.gz WKTMUPPOWJUAHR-HNNXBMFYSA-N 0 3 329.404 3.321 20 5 EGBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)CCc1ccccc1[N+](=O)[O-] ZINC000796116806 1309911493 /nfs/dbraw/zinc/91/14/93/1309911493.db2.gz WLMHVWPQRGHOBI-UHFFFAOYSA-N 0 3 345.355 3.056 20 5 EGBDHN Cc1cc(NCCOC2CCSCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000897514053 1310357582 /nfs/dbraw/zinc/35/75/82/1310357582.db2.gz LMUBVKPFQMBKET-UHFFFAOYSA-N 0 3 347.440 3.197 20 5 EGBDHN Cc1cc(C(F)(F)F)nn1CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903163980 1317666192 /nfs/dbraw/zinc/66/61/92/1317666192.db2.gz KBYHTBFXTPSHEM-NSHDSACASA-N 0 3 342.321 3.469 20 5 EGBDHN Cc1cc(CSc2ccccc2C(=O)OCC(C)[N+](=O)[O-])on1 ZINC000813103899 1318498585 /nfs/dbraw/zinc/49/85/85/1318498585.db2.gz HWLAEKJMBVAGKU-LLVKDONJSA-N 0 3 336.369 3.097 20 5 EGBDHN CC(COC(=O)c1nc(-c2ccccc2)n2c1CCCCC2)[N+](=O)[O-] ZINC000813110302 1318499913 /nfs/dbraw/zinc/49/99/13/1318499913.db2.gz WVPDCFYBYVWUMX-CYBMUJFWSA-N 0 3 343.383 3.099 20 5 EGBDHN CCC(=O)c1ccc(N2CCN(C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000813630555 1318610909 /nfs/dbraw/zinc/61/09/09/1318610909.db2.gz NPWFXACHGKSTEH-CQSZACIVSA-N 0 3 345.443 3.498 20 5 EGBDHN CN1CCC[C@@]2(CCN(c3nc4ccc([N+](=O)[O-])cc4s3)C2)C1 ZINC000814909063 1318846067 /nfs/dbraw/zinc/84/60/67/1318846067.db2.gz HECBWUJXXIBODR-MRXNPFEDSA-N 0 3 332.429 3.127 20 5 EGBDHN O=[N+]([O-])c1ccc([C@@H](O)CN[C@@H]2CCCOc3c(F)cccc32)cc1 ZINC000819215302 1319671381 /nfs/dbraw/zinc/67/13/81/1319671381.db2.gz XNXXDQMEQPRGBN-SJORKVTESA-N 0 3 346.358 3.271 20 5 EGBDHN CCN1CCN(c2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000916568876 1319676412 /nfs/dbraw/zinc/67/64/12/1319676412.db2.gz IKMQBDFMRALRDB-UHFFFAOYSA-N 0 3 326.400 3.480 20 5 EGBDHN O=[N+]([O-])c1cc(CNC[C@@H](O)c2ccccc2)cc(C(F)(F)F)c1 ZINC000819270435 1319685274 /nfs/dbraw/zinc/68/52/74/1319685274.db2.gz YZXLOLCEPLWYBV-OAHLLOKOSA-N 0 3 340.301 3.437 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CNCc2cc(C3CC3)ccc2F)c1 ZINC000819340081 1319703076 /nfs/dbraw/zinc/70/30/76/1319703076.db2.gz XMCJPHQOCJOCTQ-SFHVURJKSA-N 0 3 330.359 3.435 20 5 EGBDHN CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000822517454 1320093776 /nfs/dbraw/zinc/09/37/76/1320093776.db2.gz XSXOZBIOFKKYEU-RQMBKDMJSA-N 0 3 326.396 3.448 20 5 EGBDHN CCOC(=O)[C@@H]1CCC[C@@H]1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825040686 1320305850 /nfs/dbraw/zinc/30/58/50/1320305850.db2.gz SHORQCBTUZTAKF-YPMHNXCESA-N 0 3 326.780 3.070 20 5 EGBDHN COc1ccccc1CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873874 1321747702 /nfs/dbraw/zinc/74/77/02/1321747702.db2.gz XHLRLFOEKASYGM-XIKOKIGWSA-N 0 3 347.342 3.327 20 5 EGBDHN COC1CCC(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CC1 ZINC000845874275 1321747786 /nfs/dbraw/zinc/74/77/86/1321747786.db2.gz GTSWVHNNLUOOGA-NEQJSVFRSA-N 0 3 339.363 3.280 20 5 EGBDHN CC(=O)c1ccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC000845878579 1321749634 /nfs/dbraw/zinc/74/96/34/1321749634.db2.gz HJPPOCMHPOLNII-PSLIRLAXSA-N 0 3 335.287 3.185 20 5 EGBDHN CC([C@@H](OC(=O)COC1(C)CCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845877329 1321749671 /nfs/dbraw/zinc/74/96/71/1321749671.db2.gz PBPHKCWPKIIEBE-IAQYHMDHSA-N 0 3 325.336 3.034 20 5 EGBDHN CC([C@@H](OC(=O)COC1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845878687 1321749752 /nfs/dbraw/zinc/74/97/52/1321749752.db2.gz VOGZTAVJJBPUTA-YVEFUNNKSA-N 0 3 339.363 3.425 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)C[C@@H](O)c1ccco1 ZINC000850443445 1322250369 /nfs/dbraw/zinc/25/03/69/1322250369.db2.gz SFZROOMXNPYBEZ-TYNCELHUSA-N 0 3 334.372 3.359 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)[C@@H](O)c1ccccc1 ZINC000850469534 1322254186 /nfs/dbraw/zinc/25/41/86/1322254186.db2.gz RXELHDFCMKFKMB-VEVIJQCQSA-N 0 3 330.384 3.376 20 5 EGBDHN CC(C)CC1(NCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000852683286 1323225585 /nfs/dbraw/zinc/22/55/85/1323225585.db2.gz VJUBZSTXMLEWJB-UHFFFAOYSA-N 0 3 325.796 3.355 20 5 EGBDHN Cc1[nH]ncc1CN(C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000931415415 1329112705 /nfs/dbraw/zinc/11/27/05/1329112705.db2.gz BQWLQAAWGGQOSC-UHFFFAOYSA-N 0 3 339.193 3.021 20 5 EGBDHN CC(=O)N[C@@H](c1ccccc1F)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000925307922 1325119932 /nfs/dbraw/zinc/11/99/32/1325119932.db2.gz OWQVLLMGJPWLDK-KPZWWZAWSA-N 0 3 345.374 3.089 20 5 EGBDHN COc1ccc(OCCN[C@H](c2ccccn2)C2CC2)c([N+](=O)[O-])c1 ZINC000932377071 1329809831 /nfs/dbraw/zinc/80/98/31/1329809831.db2.gz HDESMFQTZIEDIZ-SFHVURJKSA-N 0 3 343.383 3.118 20 5 EGBDHN CC(C)CN(Cc1ccccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000932445382 1329815446 /nfs/dbraw/zinc/81/54/46/1329815446.db2.gz DVLJEKLLEURIPA-SFHVURJKSA-N 0 3 329.400 3.181 20 5 EGBDHN O=C(CCN(Cc1ccoc1)C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000934001537 1329939569 /nfs/dbraw/zinc/93/95/69/1329939569.db2.gz FEUHXEAHIYHKIU-UHFFFAOYSA-N 0 3 347.346 3.320 20 5 EGBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1cn2ccsc2n1 ZINC000866241465 1330084222 /nfs/dbraw/zinc/08/42/22/1330084222.db2.gz CJDSXAZKVSTAKP-SNVBAGLBSA-N 0 3 334.376 3.164 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN([C@@H]3CCc4c3cccc4F)C2)nc1 ZINC001324296411 1387586357 /nfs/dbraw/zinc/58/63/57/1387586357.db2.gz CRSYNPUORGCEQD-YVEFUNNKSA-N 0 3 342.374 3.303 20 5 EGBDHN CCC(CC)(CCO)NCc1ccc([N+](=O)[O-])cc1Br ZINC001325232782 1387919780 /nfs/dbraw/zinc/91/97/80/1387919780.db2.gz GVJUONJSZGQOTF-UHFFFAOYSA-N 0 3 345.237 3.388 20 5 EGBDHN F[C@H]1CNCC[C@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001205220491 1370685147 /nfs/dbraw/zinc/68/51/47/1370685147.db2.gz XWMAOZUWNKPHNF-KGLIPLIRSA-N 0 3 349.369 3.248 20 5 EGBDHN CC(C)(C)CCCCC(=O)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001128044533 1373212507 /nfs/dbraw/zinc/21/25/07/1373212507.db2.gz SQRKICDMEPJCBF-UHFFFAOYSA-N 0 3 335.448 3.407 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CNCCC2(F)F)cc1Cl ZINC001218447346 1373613885 /nfs/dbraw/zinc/61/38/85/1373613885.db2.gz JIABVVFGXHGYNT-SNVBAGLBSA-N 0 3 327.114 3.278 20 5 EGBDHN Cc1cc(OC2CCN(Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001225657496 1375140071 /nfs/dbraw/zinc/14/00/71/1375140071.db2.gz IWVWFURCQYCBBK-UHFFFAOYSA-N 0 3 327.384 3.342 20 5 EGBDHN C[C@H]1CCN(Cc2ccccc2)C[C@H]1Oc1cncc([N+](=O)[O-])c1 ZINC001227985679 1375498692 /nfs/dbraw/zinc/49/86/92/1375498692.db2.gz XWDQVJIQLRATRR-KBXCAEBGSA-N 0 3 327.384 3.279 20 5 EGBDHN O=C(CC1CCCCC1)NCCCNCc1csc([N+](=O)[O-])c1 ZINC001154406703 1380271346 /nfs/dbraw/zinc/27/13/46/1380271346.db2.gz LMPVIKMRSOTYAN-UHFFFAOYSA-N 0 3 339.461 3.223 20 5 EGBDHN O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CNCc3ccsc32)c1 ZINC001155570622 1380469608 /nfs/dbraw/zinc/46/96/08/1380469608.db2.gz NVMHBWZLKYWNRK-CQSZACIVSA-N 0 3 326.381 3.461 20 5 EGBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])C1=CCCCCC1 ZINC001157048761 1380760839 /nfs/dbraw/zinc/76/08/39/1380760839.db2.gz OCSUWWYICQPFLQ-UHFFFAOYSA-N 0 3 331.416 3.081 20 5 EGBDHN CN1CCC(N(c2cc([N+](=O)[O-])cc(Cl)n2)C2CCCC2)CC1 ZINC001158485798 1381263540 /nfs/dbraw/zinc/26/35/40/1381263540.db2.gz VCJLWACRGNYXHJ-UHFFFAOYSA-N 0 3 338.839 3.486 20 5 EGBDHN O=[N+]([O-])c1c(Cl)cc(Cl)nc1N[C@H]1CCN(C2CCC2)C1 ZINC001161177451 1382326351 /nfs/dbraw/zinc/32/63/51/1382326351.db2.gz PCXUHJLCBMAYIM-QMMMGPOBSA-N 0 3 331.203 3.335 20 5 EGBDHN O=[N+]([O-])c1cc2c(cc1NCc1cnccc1C(F)(F)F)CNC2 ZINC001162292396 1382724131 /nfs/dbraw/zinc/72/41/31/1382724131.db2.gz UZXPHVFCUDIQPC-UHFFFAOYSA-N 0 3 338.289 3.224 20 5 EGBDHN CC(C)CC(=O)NCCC1(CNCc2csc([N+](=O)[O-])c2)CC1 ZINC001163201382 1382992231 /nfs/dbraw/zinc/99/22/31/1382992231.db2.gz FKXDLZQMJBOUIQ-UHFFFAOYSA-N 0 3 339.461 3.079 20 5 EGBDHN CCCC(CCC)C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001165309870 1383271246 /nfs/dbraw/zinc/27/12/46/1383271246.db2.gz KRAWZLZXLIRXTF-UHFFFAOYSA-N 0 3 335.448 3.407 20 5 EGBDHN O=[N+]([O-])c1cc2ccccc2nc1N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001165351663 1383279654 /nfs/dbraw/zinc/27/96/54/1383279654.db2.gz JEZVZQQUJVNGNY-FUHWJXTLSA-N 0 3 346.390 3.219 20 5 EGBDHN C=Cc1ccc(C(=O)NCCCNCc2ccccc2[N+](=O)[O-])cc1 ZINC001167229885 1383570855 /nfs/dbraw/zinc/57/08/55/1383570855.db2.gz IYBOFTSWOSTGST-UHFFFAOYSA-N 0 3 339.395 3.148 20 5 EGBDHN Cc1ccc2c(ccnc2-n2nc(CN)c3ccccc32)c1[N+](=O)[O-] ZINC001167695460 1383713756 /nfs/dbraw/zinc/71/37/56/1383713756.db2.gz KDOYUBKMIDGZPC-UHFFFAOYSA-N 0 3 333.351 3.249 20 5 EGBDHN COc1ccc(C[C@H](C)N2CC[C@H]3CCCO[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170336569 1384294545 /nfs/dbraw/zinc/29/45/45/1384294545.db2.gz ZMCQCUTUEHHWLU-PMUMKWKESA-N 0 3 334.416 3.035 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001173223049 1384939203 /nfs/dbraw/zinc/93/92/03/1384939203.db2.gz WWHODNKFHFHYGS-YWPYICTPSA-N 0 3 346.349 3.161 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC(Oc2ccccn2)CC1 ZINC001173228135 1384939460 /nfs/dbraw/zinc/93/94/60/1384939460.db2.gz TZQXQMCAAJNKAG-OAHLLOKOSA-N 0 3 341.411 3.464 20 5 EGBDHN Cc1ccc(C(=O)NCCCNCc2csc([N+](=O)[O-])c2)cc1C ZINC001175134778 1385199988 /nfs/dbraw/zinc/19/99/88/1385199988.db2.gz RTRDTOMDESYGGQ-UHFFFAOYSA-N 0 3 347.440 3.183 20 5 EGBDHN Cc1c([C@@H](C)NCCC(=O)N2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC001320668751 1386685727 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EGBDHN CC(C)=CC(=O)NC1(CNCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC001755346584 1440826552 /nfs/dbraw/zinc/82/65/52/1440826552.db2.gz IBMAGCDZDJJOLC-UHFFFAOYSA-N 0 3 345.443 3.470 20 5 EGBDHN CC(=O)N(CCCNCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC001755536705 1440869854 /nfs/dbraw/zinc/86/98/54/1440869854.db2.gz FELHPWGDLQQABN-UHFFFAOYSA-N 0 3 341.411 3.123 20 5 EGBDHN CCCN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000342787974 283248831 /nfs/dbraw/zinc/24/88/31/283248831.db2.gz OOXNQVDQTXBCPM-UHFFFAOYSA-N 0 3 333.432 3.241 20 5 EGBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)[C@H](c1ccccc1)N(C)C ZINC000187193627 236142520 /nfs/dbraw/zinc/14/25/20/236142520.db2.gz KKLVPDAKKLNHEE-XHDPSFHLSA-N 0 3 333.413 3.078 20 5 EGBDHN CC[C@@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CCS1 ZINC000072861745 216321625 /nfs/dbraw/zinc/32/16/25/216321625.db2.gz VYIJDIJLEUQRNG-CYBMUJFWSA-N 0 3 337.445 3.059 20 5 EGBDHN C[C@@H]1CCCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000194006051 240397947 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EGBDHN CN1CCC[C@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1=O ZINC000344608505 144197942 /nfs/dbraw/zinc/19/79/42/144197942.db2.gz YIWNPSVUOQZQHS-HNNXBMFYSA-N 0 3 345.424 3.034 20 5 EGBDHN C[C@H](c1ccccc1)N1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000116068730 152041801 /nfs/dbraw/zinc/04/18/01/152041801.db2.gz XNCBLXOWFASLNP-CYBMUJFWSA-N 0 3 343.383 3.143 20 5 EGBDHN COc1ccc(CN[C@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000311011060 154145260 /nfs/dbraw/zinc/14/52/60/154145260.db2.gz LUNLYLZHFFQGIW-OAHLLOKOSA-N 0 3 343.427 3.214 20 5 EGBDHN C[C@@H]1[C@H](NCc2csc([N+](=O)[O-])c2)CCN1Cc1ccccc1 ZINC000336718285 154211119 /nfs/dbraw/zinc/21/11/19/154211119.db2.gz RKUQHGKJGJGGTA-CZUORRHYSA-N 0 3 331.441 3.409 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc4[nH]ccc43)C2)nc1 ZINC000093534868 162015160 /nfs/dbraw/zinc/01/51/60/162015160.db2.gz SKYAGSFZLKMRDU-CQSZACIVSA-N 0 3 337.383 3.158 20 5 EGBDHN CC[C@H](C)[C@@](C)(O)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000112380189 162174771 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C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H](C)C1 ZINC000346226507 164359939 /nfs/dbraw/zinc/35/99/39/164359939.db2.gz XAJZBPJOBBJGHT-NWDGAFQWSA-N 0 3 339.823 3.098 20 5 EGBDHN O=[N+]([O-])c1cccc(N2CCN(Cc3cccc4cc[nH]c43)CC2)c1 ZINC000352337115 165350928 /nfs/dbraw/zinc/35/09/28/165350928.db2.gz DQLMCJNHYUDEFN-UHFFFAOYSA-N 0 3 336.395 3.398 20 5 EGBDHN CC(C)N1CCC(N(C)c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352354653 165359526 /nfs/dbraw/zinc/35/95/26/165359526.db2.gz CLJSXOFKXAHKIK-UHFFFAOYSA-N 0 3 328.416 3.452 20 5 EGBDHN O=[N+]([O-])c1cccc(CN2CCC[C@@]2(CO)Cc2ccccc2)c1 ZINC000355343573 166168647 /nfs/dbraw/zinc/16/86/47/166168647.db2.gz BFEOJJJMWRLGLE-IBGZPJMESA-N 0 3 326.396 3.164 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000359561128 167194098 /nfs/dbraw/zinc/19/40/98/167194098.db2.gz QQHLRPKZUSCZPC-ABAIWWIYSA-N 0 3 349.362 3.186 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cc(C)ccc1[N+](=O)[O-])c1ccco1 ZINC000359567270 167196392 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Cc1cnccc1OC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278504882 268027312 /nfs/dbraw/zinc/02/73/12/268027312.db2.gz ARMXAXZESLNSPQ-UHFFFAOYSA-N 0 3 341.411 3.384 20 5 EGBDHN CC1(C)CCCC[C@H]1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000119829747 273579057 /nfs/dbraw/zinc/57/90/57/273579057.db2.gz ALOKBHZTWKQAQI-MRXNPFEDSA-N 0 3 331.416 3.042 20 5 EGBDHN CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1N(C)C ZINC000347796378 274186627 /nfs/dbraw/zinc/18/66/27/274186627.db2.gz URPMZUYVDRBLAV-STQMWFEESA-N 0 3 349.378 3.095 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278680395 275265019 /nfs/dbraw/zinc/26/50/19/275265019.db2.gz OSRSKPXSDDBSRH-CVEARBPZSA-N 0 3 347.459 3.149 20 5 EGBDHN CCn1nccc1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000278783849 275274388 /nfs/dbraw/zinc/27/43/88/275274388.db2.gz DLLAAQRTABCQJW-UHFFFAOYSA-N 0 3 344.415 3.070 20 5 EGBDHN CN1CCC(Oc2ccc(CNc3ncccc3[N+](=O)[O-])cc2)CC1 ZINC000286624294 276024818 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C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000075986278 278253140 /nfs/dbraw/zinc/25/31/40/278253140.db2.gz WEIDJTUSZVVHJQ-NSHDSACASA-N 0 3 340.811 3.244 20 5 EGBDHN Cc1c(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000067209508 280211841 /nfs/dbraw/zinc/21/18/41/280211841.db2.gz AZJNCYBVAHPMIH-HNNXBMFYSA-N 0 3 339.395 3.036 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000245528195 281021399 /nfs/dbraw/zinc/02/13/99/281021399.db2.gz QKFUOYQHTAIGCH-IRXDYDNUSA-N 0 3 347.459 3.008 20 5 EGBDHN COc1cccc(CN(CCN(C)C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000349368831 295296358 /nfs/dbraw/zinc/29/63/58/295296358.db2.gz OTMIGFUCLHRFLQ-UHFFFAOYSA-N 0 3 343.427 3.167 20 5 EGBDHN CN(C)Cc1cccc(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000054408480 307337973 /nfs/dbraw/zinc/33/79/73/307337973.db2.gz CUSOGPASFYISMU-UHFFFAOYSA-N 0 3 342.399 3.021 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN2CCN(CC3CCCCC3)CC2)cc1 ZINC000064130154 307356814 /nfs/dbraw/zinc/35/68/14/307356814.db2.gz CPUZVLAYOFTSLL-UHFFFAOYSA-N 0 3 347.459 3.172 20 5 EGBDHN C[C@@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000089580971 307449985 /nfs/dbraw/zinc/44/99/85/307449985.db2.gz GTTMSBQWXWXSDC-GFCCVEGCSA-N 0 3 330.340 3.053 20 5 EGBDHN COc1ccc([C@H](CO)CN[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000414196681 309066175 /nfs/dbraw/zinc/06/61/75/309066175.db2.gz VTKWHRUJRCAKKO-CJNGLKHVSA-N 0 3 330.384 3.030 20 5 EGBDHN COc1ccc([C@H](CO)CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000414196770 309066219 /nfs/dbraw/zinc/06/62/19/309066219.db2.gz WBUIMHXZWRUNKA-ZBFHGGJFSA-N 0 3 344.411 3.339 20 5 EGBDHN COc1ccc(CN2CCN(C3CCCCC3)CC2)cc1[N+](=O)[O-] ZINC000163009630 307918683 /nfs/dbraw/zinc/91/86/83/307918683.db2.gz IUUFTPSLROPVFT-UHFFFAOYSA-N 0 3 333.432 3.054 20 5 EGBDHN C[C@H](N[C@@H](CN(C)C)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294381654 308215933 /nfs/dbraw/zinc/21/59/33/308215933.db2.gz RNDYPNRUBHFAHH-SJCJKPOMSA-N 0 3 346.406 3.270 20 5 EGBDHN C[C@H](N[C@H](CN(C)C)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294384001 308216253 /nfs/dbraw/zinc/21/62/53/308216253.db2.gz RNDYPNRUBHFAHH-YVEFUNNKSA-N 0 3 346.406 3.270 20 5 EGBDHN C[C@H](NC[C@@]1(C)OCCc2sccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294415136 308218759 /nfs/dbraw/zinc/21/87/59/308218759.db2.gz UAZRUBBUKKVJOI-APPDUMDISA-N 0 3 347.440 3.377 20 5 EGBDHN Cc1nccnc1CCN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000294855937 308264656 /nfs/dbraw/zinc/26/46/56/308264656.db2.gz BQUIRUDVYRCWEQ-KRWDZBQOSA-N 0 3 326.400 3.248 20 5 EGBDHN CC(C)NC(=O)c1ccc(NCCN2CCCCCC2)c([N+](=O)[O-])c1 ZINC000301523189 308703682 /nfs/dbraw/zinc/70/36/82/308703682.db2.gz MEBGWRSOGDCDJC-UHFFFAOYSA-N 0 3 348.447 3.021 20 5 EGBDHN C[C@H](c1ccccc1)N1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000302176400 308732107 /nfs/dbraw/zinc/73/21/07/308732107.db2.gz XEXZBHZTBLYQNB-CYBMUJFWSA-N 0 3 327.388 3.022 20 5 EGBDHN CCCN(CCN1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000342775107 308880962 /nfs/dbraw/zinc/88/09/62/308880962.db2.gz FEXUPAGHNJCKCG-UHFFFAOYSA-N 0 3 337.395 3.072 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](N)c1ccccc1CC ZINC000415063034 309117807 /nfs/dbraw/zinc/11/78/07/309117807.db2.gz GQMIXUCYJBATLL-GOSISDBHSA-N 0 3 343.427 3.346 20 5 EGBDHN Cc1c(CNC(=O)C[C@@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000416225004 309164549 /nfs/dbraw/zinc/16/45/49/309164549.db2.gz IJDYJBZFUXMWPR-SFHVURJKSA-N 0 3 341.411 3.212 20 5 EGBDHN CN(CCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)CC(F)(F)F ZINC000417310784 309201253 /nfs/dbraw/zinc/20/12/53/309201253.db2.gz KVGXTZCPJHDRCB-HNNXBMFYSA-N 0 3 345.365 3.446 20 5 EGBDHN CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H]1CCCN1C ZINC000421411256 309323669 /nfs/dbraw/zinc/32/36/69/309323669.db2.gz QLJUCMNYWXDTAA-INIZCTEOSA-N 0 3 346.456 3.244 20 5 EGBDHN CCCc1nc(C)c(CN[C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000426350791 309504763 /nfs/dbraw/zinc/50/47/63/309504763.db2.gz YVTBYPNXXUKTRH-KBPBESRZSA-N 0 3 347.419 3.314 20 5 EGBDHN CSC1(CNc2c(Cl)cccc2[N+](=O)[O-])CCN(C)CC1 ZINC000432172943 309654053 /nfs/dbraw/zinc/65/40/53/309654053.db2.gz BPXYUYBNHBHLLH-UHFFFAOYSA-N 0 3 329.853 3.488 20 5 EGBDHN CC(C)(C)NC(=O)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433282699 309684527 /nfs/dbraw/zinc/68/45/27/309684527.db2.gz ASASTTPCURBROK-OAHLLOKOSA-N 0 3 333.432 3.212 20 5 EGBDHN CNC(=O)c1ccc(CN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000447535113 309981102 /nfs/dbraw/zinc/98/11/02/309981102.db2.gz CUCBQOPWTHJWIA-GOSISDBHSA-N 0 3 339.395 3.122 20 5 EGBDHN CC(=O)Nc1cccc(CN[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449079475 310035296 /nfs/dbraw/zinc/03/52/96/310035296.db2.gz ORQJAPLOHGLVFS-ZDUSSCGKSA-N 0 3 327.384 3.274 20 5 EGBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCc1cn(C)nc1C(F)(F)F ZINC000449198311 310043911 /nfs/dbraw/zinc/04/39/11/310043911.db2.gz BBJZEVAAVIXTRK-SNVBAGLBSA-N 0 3 342.321 3.068 20 5 EGBDHN COCC(COC)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449535048 310069863 /nfs/dbraw/zinc/06/98/63/310069863.db2.gz CVZNSRWDQTWBEV-UHFFFAOYSA-N 0 3 336.413 3.074 20 5 EGBDHN O=[N+]([O-])c1cccc2c1ccnc2N1CCN(C2CCCC2)CC1 ZINC000450243105 310110590 /nfs/dbraw/zinc/11/05/90/310110590.db2.gz BBJPPVAEUXUUMX-UHFFFAOYSA-N 0 3 326.400 3.208 20 5 EGBDHN CCOc1cc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000451482578 310180583 /nfs/dbraw/zinc/18/05/83/310180583.db2.gz WFCAMMGAYSCNLS-IAOVAPTHSA-N 0 3 334.416 3.287 20 5 EGBDHN COc1ccc2c(c1)C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)CO2 ZINC000453063617 310255419 /nfs/dbraw/zinc/25/54/19/310255419.db2.gz FBDHJYVXMDCXDN-DOMZBBRYSA-N 0 3 328.368 3.258 20 5 EGBDHN CC[C@H](NC[C@H](O)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000453244888 310266429 /nfs/dbraw/zinc/26/64/29/310266429.db2.gz KJFKRUWYXVAQDT-MSOLQXFVSA-N 0 3 332.375 3.378 20 5 EGBDHN CC[C@H](NC[C@@H](O)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000453244898 310266435 /nfs/dbraw/zinc/26/64/35/310266435.db2.gz KJFKRUWYXVAQDT-ROUUACIJSA-N 0 3 332.375 3.378 20 5 EGBDHN C[C@@]1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCC(=O)N1 ZINC000453594220 310283417 /nfs/dbraw/zinc/28/34/17/310283417.db2.gz WUPJSOBPHMLMDF-KRWDZBQOSA-N 0 3 345.424 3.082 20 5 EGBDHN C[C@H](NC(=O)N(CCN(C)C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000458893764 310525282 /nfs/dbraw/zinc/52/52/82/310525282.db2.gz XYXJFFSTZRKWAT-AWEZNQCLSA-N 0 3 348.447 3.172 20 5 EGBDHN CCOc1cccc(N2CCN(C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488752702 311078337 /nfs/dbraw/zinc/07/83/37/311078337.db2.gz OXUDYIYFNWDEBA-AWEZNQCLSA-N 0 3 333.432 3.304 20 5 EGBDHN CCOc1cc(CN(CCO)CC2CCCCC2)ccc1[N+](=O)[O-] ZINC000492892426 311303800 /nfs/dbraw/zinc/30/38/00/311303800.db2.gz OOBIXDKPIWSBOC-UHFFFAOYSA-N 0 3 336.432 3.368 20 5 EGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000509527463 312119768 /nfs/dbraw/zinc/11/97/68/312119768.db2.gz QJBKULQPXFHBHZ-MRXNPFEDSA-N 0 3 347.459 3.109 20 5 EGBDHN CC(C)CN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000514766606 312244408 /nfs/dbraw/zinc/24/44/08/312244408.db2.gz ZQHPWBTYINIQLH-HNNXBMFYSA-N 0 3 347.459 3.277 20 5 EGBDHN Cc1cc(N2CCN(CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000515541078 312288258 /nfs/dbraw/zinc/28/82/58/312288258.db2.gz LOCMYGCHJLCDFG-UHFFFAOYSA-N 0 3 325.412 3.268 20 5 EGBDHN CCC[C@@H](NCCC(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000537511442 314185963 /nfs/dbraw/zinc/18/59/63/314185963.db2.gz GNBYDFFQKWYLOC-MRXNPFEDSA-N 0 3 342.399 3.449 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 ZINC000538761287 314274181 /nfs/dbraw/zinc/27/41/81/314274181.db2.gz VGAZJNQWSURRIT-WFASDCNBSA-N 0 3 347.459 3.370 20 5 EGBDHN CC(C)(C(=O)N[C@@H]1CCN(C2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000550774966 315134284 /nfs/dbraw/zinc/13/42/84/315134284.db2.gz GCXNTQGHEICXPO-CQSZACIVSA-N 0 3 345.443 3.006 20 5 EGBDHN C[C@H](N[C@H]1CCC1(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000554406665 315316413 /nfs/dbraw/zinc/31/64/13/315316413.db2.gz DRUACKLAMMNCMZ-ZANVPECISA-N 0 3 325.796 3.353 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000565510909 316332759 /nfs/dbraw/zinc/33/27/59/316332759.db2.gz KFTIOKSLCNCBRC-KBPBESRZSA-N 0 3 348.447 3.399 20 5 EGBDHN Cc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c2ccccc2n1 ZINC000567990789 316706549 /nfs/dbraw/zinc/70/65/49/316706549.db2.gz SPDDYMGKAGEMKY-UHFFFAOYSA-N 0 3 337.383 3.489 20 5 EGBDHN O=C(CCN1CCC[C@H]1c1ccccn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000570539210 317071171 /nfs/dbraw/zinc/07/11/71/317071171.db2.gz FLZGRXZMHWWGHL-KRWDZBQOSA-N 0 3 340.383 3.156 20 5 EGBDHN C[C@H]1OCC[C@]1(C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000235651298 456152029 /nfs/dbraw/zinc/15/20/29/456152029.db2.gz XPCQCRLOCHHIHH-RNCFNFMXSA-N 0 3 329.194 3.014 20 5 EGBDHN Cc1cccc(C(C)(C)NCC(=O)Nc2ccccc2[N+](=O)[O-])c1 ZINC000179586084 323393662 /nfs/dbraw/zinc/39/36/62/323393662.db2.gz MOEPCMNPCNGBHM-UHFFFAOYSA-N 0 3 327.384 3.367 20 5 EGBDHN COc1ccc(OCCNC2(c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC000179687747 323400622 /nfs/dbraw/zinc/40/06/22/323400622.db2.gz MRWKHPPSKWYEMO-UHFFFAOYSA-N 0 3 346.358 3.400 20 5 EGBDHN C[C@H]1[C@H](NCc2ccc([N+](=O)[O-])cc2)CCN1Cc1ccccc1 ZINC000380041791 324243013 /nfs/dbraw/zinc/24/30/13/324243013.db2.gz SBIIBTROYVRIFR-HNAYVOBHSA-N 0 3 325.412 3.347 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000580962571 325315076 /nfs/dbraw/zinc/31/50/76/325315076.db2.gz HGTABGMJKNEUNA-XYJFISCASA-N 0 3 325.368 3.097 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)c1 ZINC000173213713 455249448 /nfs/dbraw/zinc/24/94/48/455249448.db2.gz VCUYLPDZRABHGK-AWEZNQCLSA-N 0 3 333.432 3.144 20 5 EGBDHN C[C@@H](NCCCS(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173357623 455272790 /nfs/dbraw/zinc/27/27/90/455272790.db2.gz FYYUTBDDOUTSNV-CQSZACIVSA-N 0 3 348.424 3.109 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000245450588 455304284 /nfs/dbraw/zinc/30/42/84/455304284.db2.gz OTRPGBRFHOQIIS-JKIFEVAISA-N 0 3 331.416 3.495 20 5 EGBDHN C[C@H](c1cccs1)N(C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000032490224 453876052 /nfs/dbraw/zinc/87/60/52/453876052.db2.gz TXVQEPYFUUUSDU-TZMCWYRMSA-N 0 3 336.413 3.089 20 5 EGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1CN1CCCCC1 ZINC000075958004 453942375 /nfs/dbraw/zinc/94/23/75/453942375.db2.gz JRDIEXQTUJIRHI-INIZCTEOSA-N 0 3 332.404 3.077 20 5 EGBDHN O=[N+]([O-])c1c(F)cccc1N1CCCN(Cc2ccccc2)CC1 ZINC000057136744 454104776 /nfs/dbraw/zinc/10/47/76/454104776.db2.gz SEHNKLYMFLJTJA-UHFFFAOYSA-N 0 3 329.375 3.446 20 5 EGBDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H](c2ccccc2)CC1 ZINC000159800279 455405202 /nfs/dbraw/zinc/40/52/02/455405202.db2.gz IVCWGURGLFPSSB-QGZVFWFLSA-N 0 3 341.411 3.026 20 5 EGBDHN CCN(CC)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000069689932 454133221 /nfs/dbraw/zinc/13/32/21/454133221.db2.gz XFFBSBPMUXDDGT-SFHVURJKSA-N 0 3 341.411 3.408 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000094123248 454187121 /nfs/dbraw/zinc/18/71/21/454187121.db2.gz OOVUDCIJNDVGHX-OAHLLOKOSA-N 0 3 345.443 3.267 20 5 EGBDHN CN(C)CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000119487639 454198697 /nfs/dbraw/zinc/19/86/97/454198697.db2.gz KOFKTVSXDXLWJT-UHFFFAOYSA-N 0 3 347.802 3.457 20 5 EGBDHN CN(CCOc1cccc([N+](=O)[O-])c1)CCOc1ccccc1F ZINC000058933228 454245539 /nfs/dbraw/zinc/24/55/39/454245539.db2.gz TWVFGBYQICPGNX-UHFFFAOYSA-N 0 3 334.347 3.124 20 5 EGBDHN Cc1cnc(N2CCCN(Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000078630162 454288864 /nfs/dbraw/zinc/28/88/64/454288864.db2.gz ZWWIMNYUWRLSPE-UHFFFAOYSA-N 0 3 340.427 3.319 20 5 EGBDHN CC[C@H](NC(=O)N(C)C[C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090688946 454336806 /nfs/dbraw/zinc/33/68/06/454336806.db2.gz LSTKSJOPFGRLRK-YOEHRIQHSA-N 0 3 348.447 3.029 20 5 EGBDHN CCCNC(=O)CCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102423871 454505255 /nfs/dbraw/zinc/50/52/55/454505255.db2.gz OCKUBOGNRFRUGY-UHFFFAOYSA-N 0 3 347.440 3.329 20 5 EGBDHN COc1ccc(CN(Cc2ccccc2)[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000093303912 454701299 /nfs/dbraw/zinc/70/12/99/454701299.db2.gz QUYLMBDUHOARPT-HNNXBMFYSA-N 0 3 344.411 3.377 20 5 EGBDHN C[C@@H](O)[C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000136828005 454757701 /nfs/dbraw/zinc/75/77/01/454757701.db2.gz XIZVRPSGGZYCNS-KGLIPLIRSA-N 0 3 330.384 3.448 20 5 EGBDHN CC[C@@H](NC[C@H](O)c1ccc(OC)cc1)c1cccc([N+](=O)[O-])c1 ZINC000125445791 454822820 /nfs/dbraw/zinc/82/28/20/454822820.db2.gz FVIDTROFYXUGGL-MSOLQXFVSA-N 0 3 330.384 3.378 20 5 EGBDHN COc1ccc(-c2ccc(CN3CCC[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000154593805 454910990 /nfs/dbraw/zinc/91/09/90/454910990.db2.gz DNZASOBHIQRZPS-CYBMUJFWSA-N 0 3 346.383 3.068 20 5 EGBDHN Cc1ccc([C@@H](C)N[C@H]2CCN(c3ncccc3F)C2)cc1[N+](=O)[O-] ZINC000168158357 454924928 /nfs/dbraw/zinc/92/49/28/454924928.db2.gz NHUZSKJEXPVZMX-HIFRSBDPSA-N 0 3 344.390 3.367 20 5 EGBDHN CC[C@H]1CCCCN1CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000113520626 454928479 /nfs/dbraw/zinc/92/84/79/454928479.db2.gz SIKHEYCHCABKIJ-AWEZNQCLSA-N 0 3 334.420 3.289 20 5 EGBDHN C[C@H](c1ccncc1)N(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129528453 455115837 /nfs/dbraw/zinc/11/58/37/455115837.db2.gz VLBJQQJVHXYNET-GFCCVEGCSA-N 0 3 346.362 3.151 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@H](O)COc1ccc(F)cc1 ZINC000152559353 455136348 /nfs/dbraw/zinc/13/63/48/455136348.db2.gz MKKMIRHUNRNOQM-CJNGLKHVSA-N 0 3 348.374 3.133 20 5 EGBDHN CCOc1ccc([C@@H]2CCCN2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157455898 455196334 /nfs/dbraw/zinc/19/63/34/455196334.db2.gz LZOQQXICARZQEE-KRWDZBQOSA-N 0 3 330.388 3.027 20 5 EGBDHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000245444365 455302028 /nfs/dbraw/zinc/30/20/28/455302028.db2.gz JPKXUUVKMNBARH-UKPHBRMFSA-N 0 3 343.427 3.137 20 5 EGBDHN CCn1ccnc1[C@H]1OCCC[C@@H]1NCc1ccc([N+](=O)[O-])cc1C ZINC000190424141 455313591 /nfs/dbraw/zinc/31/35/91/455313591.db2.gz VMIVZHXOLUPYGN-IRXDYDNUSA-N 0 3 344.415 3.130 20 5 EGBDHN C[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000245698663 455358764 /nfs/dbraw/zinc/35/87/64/455358764.db2.gz CRFLUSMCZBJGGT-UONOGXRCSA-N 0 3 328.416 3.473 20 5 EGBDHN Cc1ccccc1OC[C@@H](O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181831092 455386761 /nfs/dbraw/zinc/38/67/61/455386761.db2.gz XSUMAFRWDXQCLQ-WBVHZDCISA-N 0 3 344.411 3.302 20 5 EGBDHN COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])c(N)c2F)N(C)C)c1 ZINC000266831062 455459529 /nfs/dbraw/zinc/45/95/29/455459529.db2.gz CQOMEVMOJIICDI-OAHLLOKOSA-N 0 3 348.378 3.040 20 5 EGBDHN C[C@H](c1cccs1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182222636 455464933 /nfs/dbraw/zinc/46/49/33/455464933.db2.gz PDMGTAMGFGKNCL-OLZOCXBDSA-N 0 3 336.413 3.089 20 5 EGBDHN Cc1cc(C)cc([C@H](C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182416629 455509460 /nfs/dbraw/zinc/50/94/60/455509460.db2.gz FDCCAGCWKAKMKZ-RDJZCZTQSA-N 0 3 344.411 3.302 20 5 EGBDHN COc1ccc(NC(=O)[C@H](C)N[C@@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000191856568 455525993 /nfs/dbraw/zinc/52/59/93/455525993.db2.gz JQNUFVVTBWXHCY-XHDPSFHLSA-N 0 3 335.404 3.099 20 5 EGBDHN CCc1nnc([C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000271471612 455650104 /nfs/dbraw/zinc/65/01/04/455650104.db2.gz IKISLYJNKYGYNK-YDHLFZDLSA-N 0 3 343.431 3.337 20 5 EGBDHN CCc1nnc([C@H](C)N[C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000271471612 455650108 /nfs/dbraw/zinc/65/01/08/455650108.db2.gz IKISLYJNKYGYNK-YDHLFZDLSA-N 0 3 343.431 3.337 20 5 EGBDHN CCc1ccc(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000292412627 455654833 /nfs/dbraw/zinc/65/48/33/455654833.db2.gz PFZPWSKDKLVMCV-AWEZNQCLSA-N 0 3 345.443 3.104 20 5 EGBDHN Cc1cc(C(=O)N(CCN(C)C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000247960677 455660625 /nfs/dbraw/zinc/66/06/25/455660625.db2.gz FDSCBAKVRHIGKQ-UHFFFAOYSA-N 0 3 341.411 3.107 20 5 EGBDHN CC[C@@](C)(CCO)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000268510693 455703308 /nfs/dbraw/zinc/70/33/08/455703308.db2.gz CLHQPRYJKDOVMV-INIZCTEOSA-N 0 3 335.429 3.359 20 5 EGBDHN C[C@H](NCCC(=O)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000285016796 455777538 /nfs/dbraw/zinc/77/75/38/455777538.db2.gz MGQASWQZRNTCKG-AWEZNQCLSA-N 0 3 339.395 3.225 20 5 EGBDHN Cc1ccc([C@H](C)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000285664563 455891606 /nfs/dbraw/zinc/89/16/06/455891606.db2.gz MMFIXSYYALCVOY-DXCKQFNASA-N 0 3 333.432 3.247 20 5 EGBDHN O=[N+]([O-])c1cc(CN2CCNC[C@@H]2c2ccccc2Cl)cs1 ZINC000262247023 456016893 /nfs/dbraw/zinc/01/68/93/456016893.db2.gz PPRGGKPWCNZQQI-CQSZACIVSA-N 0 3 337.832 3.456 20 5 EGBDHN CCS[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000286308603 456021456 /nfs/dbraw/zinc/02/14/56/456021456.db2.gz VZYWCTJQKAQDDT-LSDHHAIUSA-N 0 3 337.445 3.106 20 5 EGBDHN CN(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccc(F)cc1 ZINC000301297483 456084999 /nfs/dbraw/zinc/08/49/99/456084999.db2.gz YLAYXNBSOPLCST-AWEZNQCLSA-N 0 3 338.770 3.497 20 5 EGBDHN C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1=CCN(C)CC1 ZINC000272898994 456106849 /nfs/dbraw/zinc/10/68/49/456106849.db2.gz INZFOFDLPZPPSM-NSHDSACASA-N 0 3 345.424 3.190 20 5 EGBDHN CCN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000301509174 456132651 /nfs/dbraw/zinc/13/26/51/456132651.db2.gz ATCWHKHNEXZWLI-GFCCVEGCSA-N 0 3 329.347 3.483 20 5 EGBDHN CCOc1ccc([C@H](C)NCCNc2ccccn2)cc1[N+](=O)[O-] ZINC000271131132 456134402 /nfs/dbraw/zinc/13/44/02/456134402.db2.gz LVYMYZQGYDROLT-ZDUSSCGKSA-N 0 3 330.388 3.151 20 5 EGBDHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000301604282 456159041 /nfs/dbraw/zinc/15/90/41/456159041.db2.gz XOUHDLMOIPIVQR-GOEBONIOSA-N 0 3 326.400 3.312 20 5 EGBDHN CN(C)C(C)(C)CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275407532 456274248 /nfs/dbraw/zinc/27/42/48/456274248.db2.gz BZNXPKMWMAATBF-UHFFFAOYSA-N 0 3 337.423 3.164 20 5 EGBDHN C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)N(C)C1CC1 ZINC000275766931 456308581 /nfs/dbraw/zinc/30/85/81/456308581.db2.gz GKJGVSDVWCJAPE-CYBMUJFWSA-N 0 3 349.434 3.306 20 5 EGBDHN CN(C)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1cccc(F)c1 ZINC000302476259 456346480 /nfs/dbraw/zinc/34/64/80/456346480.db2.gz VKOZONAYKPYUJH-QGZVFWFLSA-N 0 3 344.390 3.417 20 5 EGBDHN C[C@H](NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCOC1 ZINC000348140456 456512084 /nfs/dbraw/zinc/51/20/84/456512084.db2.gz KSLDURUXGCJGQC-GXTWGEPZSA-N 0 3 331.372 3.155 20 5 EGBDHN CCNc1ccc(C(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000343323786 456531872 /nfs/dbraw/zinc/53/18/72/456531872.db2.gz TUDYIAJUHMJRMU-KBPBESRZSA-N 0 3 348.447 3.019 20 5 EGBDHN CCN(CC)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccco1 ZINC000343352924 456553496 /nfs/dbraw/zinc/55/34/96/456553496.db2.gz UDCDCAAQMBMDDA-LLVKDONJSA-N 0 3 349.416 3.392 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C\CNC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000353222807 456570849 /nfs/dbraw/zinc/57/08/49/456570849.db2.gz QWTSBCPSQRNFSV-TVZRVCQQSA-N 0 3 338.407 3.364 20 5 EGBDHN CCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H](C)OC ZINC000291286259 456591406 /nfs/dbraw/zinc/59/14/06/456591406.db2.gz QSGUPNDRYLUAFG-ZDUSSCGKSA-N 0 3 333.388 3.149 20 5 EGBDHN CC(C)c1ccc(CN[C@H]2CCO[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000343405479 456597776 /nfs/dbraw/zinc/59/77/76/456597776.db2.gz SKMFVCGPIKYZGQ-RDJZCZTQSA-N 0 3 344.415 3.072 20 5 EGBDHN C[C@@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)N(C)C1CC1 ZINC000340727120 456651860 /nfs/dbraw/zinc/65/18/60/456651860.db2.gz SKENRETWLFEOTL-LBPRGKRZSA-N 0 3 333.432 3.105 20 5 EGBDHN C[C@@H]1OCC[C@]1(C)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000300635644 456783727 /nfs/dbraw/zinc/78/37/27/456783727.db2.gz XPCQCRLOCHHIHH-ZANVPECISA-N 0 3 329.194 3.014 20 5 EGBDHN CCc1nn(C)c(NC[C@H](N[C@@H](C)CC)c2ccco2)c1[N+](=O)[O-] ZINC000340972257 456792462 /nfs/dbraw/zinc/79/24/62/456792462.db2.gz PVPYRKMCFHJQFZ-AAEUAGOBSA-N 0 3 335.408 3.025 20 5 EGBDHN COCCOc1ccc(CN[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000283691694 456824377 /nfs/dbraw/zinc/82/43/77/456824377.db2.gz AILWUNOSFMNBNL-ZDUSSCGKSA-N 0 3 345.399 3.053 20 5 EGBDHN C[C@H]1CCN(C)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000341273080 456828450 /nfs/dbraw/zinc/82/84/50/456828450.db2.gz QKLFSJSHABZXLT-AWEZNQCLSA-N 0 3 326.400 3.187 20 5 EGBDHN CC(C)CN(CCN(C)C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000348908307 456887388 /nfs/dbraw/zinc/88/73/88/456887388.db2.gz ZBHKKDDSCGFJIV-UHFFFAOYSA-N 0 3 345.390 3.216 20 5 EGBDHN O=[N+]([O-])c1cccc(CN(C[C@@H](O)Cc2ccc(F)cc2)C2CC2)c1 ZINC000339019948 456903065 /nfs/dbraw/zinc/90/30/65/456903065.db2.gz CHWNRQPKRURILK-IBGZPJMESA-N 0 3 344.386 3.302 20 5 EGBDHN CN(CCN(C)C1CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000349356095 456951363 /nfs/dbraw/zinc/95/13/63/456951363.db2.gz VNBHUQGYJZDUNC-UHFFFAOYSA-N 0 3 329.400 3.381 20 5 EGBDHN CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CCC(C)CC1 ZINC000353942138 456973885 /nfs/dbraw/zinc/97/38/85/456973885.db2.gz QPTWPDYBPMEDNZ-UHFFFAOYSA-N 0 3 334.420 3.011 20 5 EGBDHN CC[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000331312107 457164586 /nfs/dbraw/zinc/16/45/86/457164586.db2.gz CCQDUFKCLJRGID-LOUJCGABSA-N 0 3 333.432 3.423 20 5 EGBDHN CC[C@H]1CCCCN1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000354424467 457213470 /nfs/dbraw/zinc/21/34/70/457213470.db2.gz ZUTBQXZTXDORAD-AWEZNQCLSA-N 0 3 345.399 3.335 20 5 EGBDHN Cc1cc(NCCCCN2C[C@@H](C)O[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000360074971 457241154 /nfs/dbraw/zinc/24/11/54/457241154.db2.gz SIGFNPINDXLSJN-OKILXGFUSA-N 0 3 339.411 3.344 20 5 EGBDHN Cc1c(CN[C@@H]2CC[C@H](C)C[C@@H]2n2cncn2)cccc1[N+](=O)[O-] ZINC000331988788 457284839 /nfs/dbraw/zinc/28/48/39/457284839.db2.gz AMJPHMGKGNZDDF-MJEQTWJJSA-N 0 3 329.404 3.014 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCC(Cn2ccnn2)CC1 ZINC000347330676 457356373 /nfs/dbraw/zinc/35/63/73/457356373.db2.gz DBSUDNSJHFREQB-PTNGSMBKSA-N 0 3 341.415 3.002 20 5 EGBDHN C[C@H](CN(C)Cc1ccccc1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342622973 457410469 /nfs/dbraw/zinc/41/04/69/457410469.db2.gz SXEGUVHEVXLFRM-CQSZACIVSA-N 0 3 342.399 3.237 20 5 EGBDHN O=C(CCN1CC[C@H](c2ccco2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000374008168 457437201 /nfs/dbraw/zinc/43/72/01/457437201.db2.gz NPWHZPPCTGRMHY-ZDUSSCGKSA-N 0 3 329.356 3.006 20 5 EGBDHN CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(-n2cccn2)cc1 ZINC000352538525 457449331 /nfs/dbraw/zinc/44/93/31/457449331.db2.gz LOKMVATZXBVIQK-UHFFFAOYSA-N 0 3 336.395 3.455 20 5 EGBDHN CCCN(Cc1ccc(Br)cc1[N+](=O)[O-])CC(C)(C)O ZINC000425393962 457532783 /nfs/dbraw/zinc/53/27/83/457532783.db2.gz KDDHEUFXOKQQNG-UHFFFAOYSA-N 0 3 345.237 3.340 20 5 EGBDHN O=C1Nc2ccccc2[C@@]12CCN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000364451260 457608287 /nfs/dbraw/zinc/60/82/87/457608287.db2.gz YTJROTHCFOGJBW-CYXJOQHWSA-N 0 3 349.390 3.204 20 5 EGBDHN C[C@H]1[C@H](C)N(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCN1C ZINC000361168084 457625837 /nfs/dbraw/zinc/62/58/37/457625837.db2.gz RRNQINIDSWKFJR-KBPBESRZSA-N 0 3 329.400 3.379 20 5 EGBDHN CN(c1ccccc1)c1ccc(CNC[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000357760262 457680885 /nfs/dbraw/zinc/68/08/85/457680885.db2.gz JBNUARHDVIUNJC-IBGZPJMESA-N 0 3 341.411 3.223 20 5 EGBDHN CSc1ccccc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000358047375 457751783 /nfs/dbraw/zinc/75/17/83/457751783.db2.gz JGTREJJZOINWAA-AWEZNQCLSA-N 0 3 344.440 3.398 20 5 EGBDHN CC1(C)C[C@H](NCCN2CCOCC2(C)C)c2cc([N+](=O)[O-])ccc21 ZINC000433112687 457760240 /nfs/dbraw/zinc/76/02/40/457760240.db2.gz AFBMHXROOYXCMO-KRWDZBQOSA-N 0 3 347.459 3.018 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C2CCOCC2)C1 ZINC000371068159 457778940 /nfs/dbraw/zinc/77/89/40/457778940.db2.gz ZGXSLTVJFOEHDX-OAHLLOKOSA-N 0 3 334.416 3.242 20 5 EGBDHN CCN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1C ZINC000444660134 457931198 /nfs/dbraw/zinc/93/11/98/457931198.db2.gz RMMNXJWUWMBXRP-YOEHRIQHSA-N 0 3 333.432 3.458 20 5 EGBDHN CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000444679074 457936547 /nfs/dbraw/zinc/93/65/47/457936547.db2.gz TUTPAHLVWDIUOM-BBRMVZONSA-N 0 3 349.431 3.443 20 5 EGBDHN CSc1ccc(C(=O)NC[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000434426236 457993315 /nfs/dbraw/zinc/99/33/15/457993315.db2.gz SUGQDLKGHVIPIA-AWEZNQCLSA-N 0 3 349.456 3.063 20 5 EGBDHN COc1cc(CN[C@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])cc1F ZINC000411974279 458029685 /nfs/dbraw/zinc/02/96/85/458029685.db2.gz TUITXDBFKYICGI-HWPZZCPQSA-N 0 3 326.368 3.036 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)CCN1CCOC(C)(C)C1 ZINC000434700502 458038855 /nfs/dbraw/zinc/03/88/55/458038855.db2.gz VEJWYVKQFJPQCM-HNNXBMFYSA-N 0 3 335.448 3.007 20 5 EGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429799808 458372773 /nfs/dbraw/zinc/37/27/73/458372773.db2.gz GPZWAYOIVPKNMZ-LSDHHAIUSA-N 0 3 347.459 3.109 20 5 EGBDHN C[C@H](NC(=O)NC[C@H]1N(C)CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000447991438 458375523 /nfs/dbraw/zinc/37/55/23/458375523.db2.gz UXUKWCSAKOAQAW-XJKSGUPXSA-N 0 3 348.447 3.075 20 5 EGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C(C)(C)C)[n-]1 ZINC000459669948 458442702 /nfs/dbraw/zinc/44/27/02/458442702.db2.gz GTVSPDSTHDRTDE-GFCCVEGCSA-N 0 3 331.420 3.121 20 5 EGBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCc1nnc(C(C)(C)C)[nH]1 ZINC000459669948 458442704 /nfs/dbraw/zinc/44/27/04/458442704.db2.gz GTVSPDSTHDRTDE-GFCCVEGCSA-N 0 3 331.420 3.121 20 5 EGBDHN O=C(Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)[C@H]1CCCCN1 ZINC000430378517 458444605 /nfs/dbraw/zinc/44/46/05/458444605.db2.gz LWERJDHJABSVED-QGZVFWFLSA-N 0 3 341.367 3.468 20 5 EGBDHN O=C(NC[C@H]1CCCN1C1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000437851608 458502647 /nfs/dbraw/zinc/50/26/47/458502647.db2.gz OTQRPVSBTAFECN-CYBMUJFWSA-N 0 3 337.445 3.183 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CNCc1ccc(OCCO)cc1 ZINC000468633045 458529519 /nfs/dbraw/zinc/52/95/19/458529519.db2.gz RNSJWBLNPFKIAK-RVDMUPIBSA-N 0 3 342.395 3.159 20 5 EGBDHN COCCN1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000461956822 458583650 /nfs/dbraw/zinc/58/36/50/458583650.db2.gz LJWMOFAJQZKKOF-NSHDSACASA-N 0 3 347.337 3.055 20 5 EGBDHN CN(C)[C@H](CC(=O)N(C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000431896113 458641676 /nfs/dbraw/zinc/64/16/76/458641676.db2.gz LHUUJIZKOQPONR-GOSISDBHSA-N 0 3 341.411 3.246 20 5 EGBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)CN1C1CC1 ZINC000577432827 459032744 /nfs/dbraw/zinc/03/27/44/459032744.db2.gz ICPHZSZYKOWLBV-ZJUUUORDSA-N 0 3 327.331 3.233 20 5 EGBDHN CCc1ccccc1CNCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000577485074 459039958 /nfs/dbraw/zinc/03/99/58/459039958.db2.gz PCDNLSRGUKLVRR-UHFFFAOYSA-N 0 3 327.384 3.276 20 5 EGBDHN Cc1c([C@H](C)N[C@@H](CO)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000557274364 459060553 /nfs/dbraw/zinc/06/05/53/459060553.db2.gz SFPOLJVIEZJILP-XJKSGUPXSA-N 0 3 332.375 3.297 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000594518371 459075571 /nfs/dbraw/zinc/07/55/71/459075571.db2.gz GNNCYIWKMLATNV-WSTZPKSXSA-N 0 3 338.407 3.338 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCNC2(CCCCC2)C1 ZINC000594629002 459118519 /nfs/dbraw/zinc/11/85/19/459118519.db2.gz UZKCNRLUHBYHOE-UHFFFAOYSA-N 0 3 345.443 3.268 20 5 EGBDHN Cc1c(CNCc2ccc(O[C@H]3CCOC3)cc2)cccc1[N+](=O)[O-] ZINC000594940952 459185366 /nfs/dbraw/zinc/18/53/66/459185366.db2.gz WJSZLVDPDNQRET-SFHVURJKSA-N 0 3 342.395 3.361 20 5 EGBDHN C[C@H](c1ccccc1)[C@H](O)CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000595000549 459209930 /nfs/dbraw/zinc/20/99/30/459209930.db2.gz LGEVCNNATQTRHN-BGRHOPRASA-N 0 3 326.396 3.362 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCCCn1ccnc1C ZINC000595026559 459220458 /nfs/dbraw/zinc/22/04/58/459220458.db2.gz PPFUGEFHZJPWDJ-CYBMUJFWSA-N 0 3 332.404 3.239 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](CO)c1ccc(F)cc1 ZINC000595054172 459229552 /nfs/dbraw/zinc/22/95/52/459229552.db2.gz YOPYWQWFQDWMKQ-TZMCWYRMSA-N 0 3 348.374 3.169 20 5 EGBDHN CC[C@@H](C)[C@@H](C)N(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000533422402 459232587 /nfs/dbraw/zinc/23/25/87/459232587.db2.gz KFZQLSBWGFWBTJ-CHWSQXEVSA-N 0 3 349.431 3.441 20 5 EGBDHN Cc1c([C@@H](C)NCC(C)(C)[C@]2(O)CCCOC2)cccc1[N+](=O)[O-] ZINC000595099951 459246136 /nfs/dbraw/zinc/24/61/36/459246136.db2.gz HHKWPJGEXPMANA-KDOFPFPSSA-N 0 3 336.432 3.122 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H]3COC[C@@H]32)o1 ZINC000590972161 459286611 /nfs/dbraw/zinc/28/66/11/459286611.db2.gz MVQUPVVUFUNSHF-DYVFJYSZSA-N 0 3 328.368 3.466 20 5 EGBDHN C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N1[C@H](C)CC[C@@H]1C ZINC000581989530 459287724 /nfs/dbraw/zinc/28/77/24/459287724.db2.gz RXNSLRTWIMDYGT-QLFBSQMISA-N 0 3 345.443 3.347 20 5 EGBDHN C[C@@H](CN1CCC(C)CC1)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595482646 459318736 /nfs/dbraw/zinc/31/87/36/459318736.db2.gz SYTBDKWRTKFIHY-GJZGRUSLSA-N 0 3 348.447 3.075 20 5 EGBDHN CCOc1cc(CN(C)[C@H](CO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000595591500 459358676 /nfs/dbraw/zinc/35/86/76/459358676.db2.gz IZSAITPYBGOSBX-KRWDZBQOSA-N 0 3 344.411 3.029 20 5 EGBDHN Cc1ccc([C@@H](C)NC(=O)C[C@H](N)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000569109857 459397467 /nfs/dbraw/zinc/39/74/67/459397467.db2.gz RWUKSDBSBMTYTO-RHSMWYFYSA-N 0 3 341.411 3.041 20 5 EGBDHN CCCCO[C@@H]1C[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000569134069 459402252 /nfs/dbraw/zinc/40/22/52/459402252.db2.gz DXPHNPMVJKVKCH-HZPDHXFCSA-N 0 3 349.431 3.107 20 5 EGBDHN CC(C)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000485397956 459452788 /nfs/dbraw/zinc/45/27/88/459452788.db2.gz DFBBCNYOKQVBLZ-UHFFFAOYSA-N 0 3 344.390 3.326 20 5 EGBDHN Cc1ccc([C@@H](C)NC(=O)c2cc3c(s2)CCNC3)cc1[N+](=O)[O-] ZINC000595929283 459489045 /nfs/dbraw/zinc/48/90/45/459489045.db2.gz IVUCLNDALLHGRD-LLVKDONJSA-N 0 3 345.424 3.101 20 5 EGBDHN CC[C@@H](C)C[C@@H](CO)NCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000592374366 459583390 /nfs/dbraw/zinc/58/33/90/459583390.db2.gz CMCKZLFWQCFTPV-PWSUYJOCSA-N 0 3 332.347 3.083 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN2CCC3(CCc4ccccc4C3)CC2)c1 ZINC000593038086 459750070 /nfs/dbraw/zinc/75/00/70/459750070.db2.gz WANULBHYPQKCGF-UHFFFAOYSA-N 0 3 340.427 3.062 20 5 EGBDHN CCc1cccc(OC[C@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000584486729 459752903 /nfs/dbraw/zinc/75/29/03/459752903.db2.gz ROPWTVAWXLPXEN-RDTXWAMCSA-N 0 3 344.411 3.248 20 5 EGBDHN CC(C)(C)CCN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544410354 459757227 /nfs/dbraw/zinc/75/72/27/459757227.db2.gz KJDVHVNMDWDVEI-UHFFFAOYSA-N 0 3 343.431 3.096 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC3(CCCCC3)CC2)c1 ZINC000608833238 459888593 /nfs/dbraw/zinc/88/85/93/459888593.db2.gz DCIAOBLEAIJOPA-KRWDZBQOSA-N 0 3 348.443 3.381 20 5 EGBDHN C[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)N(C)C1CC1 ZINC000593705131 459957953 /nfs/dbraw/zinc/95/79/53/459957953.db2.gz NPJCNNNHQBRXJG-YGRLFVJLSA-N 0 3 331.338 3.271 20 5 EGBDHN COc1ccc2c(c1)OCC[C@H]2NCCc1ccc([N+](=O)[O-])cc1 ZINC000602560270 459997237 /nfs/dbraw/zinc/99/72/37/459997237.db2.gz YUYXTVAPZAUVRK-QGZVFWFLSA-N 0 3 328.368 3.259 20 5 EGBDHN COc1cc(CNCCc2ccc(Cl)cc2[N+](=O)[O-])sn1 ZINC000602606796 460019229 /nfs/dbraw/zinc/01/92/29/460019229.db2.gz XLLBLQQWONOGHI-UHFFFAOYSA-N 0 3 327.793 3.046 20 5 EGBDHN O=[N+]([O-])c1sc(CN[C@H]2CCC[C@@H]2CCO)cc1Br ZINC000602626573 460030174 /nfs/dbraw/zinc/03/01/74/460030174.db2.gz ZQUBMZCIGWTZRZ-KCJUWKMLSA-N 0 3 349.250 3.060 20 5 EGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@H]2CCOc3ccccc32)n1 ZINC000618561689 460061997 /nfs/dbraw/zinc/06/19/97/460061997.db2.gz LXBGNKYARIRZTB-ARFHVFGLSA-N 0 3 342.399 3.388 20 5 EGBDHN Cc1ccc(NC(=O)N[C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594059844 460080971 /nfs/dbraw/zinc/08/09/71/460080971.db2.gz XFIARAJHUUKSRJ-GJZGRUSLSA-N 0 3 332.404 3.042 20 5 EGBDHN Cc1ccccc1C[C@H](CO)N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576172623 460085139 /nfs/dbraw/zinc/08/51/39/460085139.db2.gz RSEBIWNNVOHJFU-QAPCUYQASA-N 0 3 326.396 3.084 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594098248 460100596 /nfs/dbraw/zinc/10/05/96/460100596.db2.gz RYQDLPAKUPMHMV-HOCLYGCPSA-N 0 3 346.431 3.350 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000594099747 460101076 /nfs/dbraw/zinc/10/10/76/460101076.db2.gz KHHFPHYWUHCGRC-HOCLYGCPSA-N 0 3 346.431 3.350 20 5 EGBDHN CCC[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OCC ZINC000598989769 460119071 /nfs/dbraw/zinc/11/90/71/460119071.db2.gz TUNQCNPXSNZGKB-QGZVFWFLSA-N 0 3 346.431 3.290 20 5 EGBDHN Cc1ccc([C@H](C)NC[C@@H]2CCCN2CC(F)F)cc1[N+](=O)[O-] ZINC000599066126 460149588 /nfs/dbraw/zinc/14/95/88/460149588.db2.gz QPGPGGZYLLRMGA-JSGCOSHPSA-N 0 3 327.375 3.283 20 5 EGBDHN CN(Cc1ccccc1)[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000610433593 460151701 /nfs/dbraw/zinc/15/17/01/460151701.db2.gz VUNKJQFKIAIBNZ-SFHVURJKSA-N 0 3 325.412 3.301 20 5 EGBDHN Cc1ncc([C@@H](C)NCCC(=O)Nc2cccc([N+](=O)[O-])c2C)s1 ZINC000602953744 460199935 /nfs/dbraw/zinc/19/99/35/460199935.db2.gz CGJCCXXINSWYOT-LLVKDONJSA-N 0 3 348.428 3.348 20 5 EGBDHN C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599512341 460265449 /nfs/dbraw/zinc/26/54/49/460265449.db2.gz IOUJOGVNMAAWHW-TXEJJXNPSA-N 0 3 341.358 3.147 20 5 EGBDHN Cc1ccc(CN2CC[C@H](CN(C)c3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000603402284 460297423 /nfs/dbraw/zinc/29/74/23/460297423.db2.gz QBNVHDBDERQIIK-CQSZACIVSA-N 0 3 346.456 3.318 20 5 EGBDHN COc1ccc2c(c1)CC[C@@H]2NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000601264667 460769424 /nfs/dbraw/zinc/76/94/24/460769424.db2.gz CQNHGIUXVLNBLF-INIZCTEOSA-N 0 3 328.368 3.389 20 5 EGBDHN Cc1ccc([C@H](C)NC[C@H](O)COCc2ccccc2)cc1[N+](=O)[O-] ZINC000178653366 534226106 /nfs/dbraw/zinc/22/61/06/534226106.db2.gz SCKKXVPRRRJDSB-YJBOKZPZSA-N 0 3 344.411 3.132 20 5 EGBDHN C[C@@H](C[S@](C)=O)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000184265783 534228475 /nfs/dbraw/zinc/22/84/75/534228475.db2.gz KZNXCWXQGAXFHA-SAHAZLINSA-N 0 3 338.454 3.180 20 5 EGBDHN CC(C)(CCO)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000266305381 535047552 /nfs/dbraw/zinc/04/75/52/535047552.db2.gz OCPMVUPNUQYXPF-UHFFFAOYSA-N 0 3 335.429 3.217 20 5 EGBDHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000344648520 536352117 /nfs/dbraw/zinc/35/21/17/536352117.db2.gz CXHGUUMDZGWWMD-CQSZACIVSA-N 0 3 339.823 3.098 20 5 EGBDHN CC(C)Oc1cccc(CNC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000731677873 575199401 /nfs/dbraw/zinc/19/94/01/575199401.db2.gz AOPLZJSIDQFUTJ-SFHVURJKSA-N 0 3 330.384 3.205 20 5 EGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000732575591 575276896 /nfs/dbraw/zinc/27/68/96/575276896.db2.gz IGGDKUILSBOWGF-VXGBXAGGSA-N 0 3 339.823 3.098 20 5 EGBDHN CC(C)[C@H](CN(C)C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000733164196 575311875 /nfs/dbraw/zinc/31/18/75/575311875.db2.gz MDJYFRKKUXOGCF-ZDUSSCGKSA-N 0 3 335.429 3.126 20 5 EGBDHN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c3nonc32)N(C)C)cc1 ZINC000742564370 576789904 /nfs/dbraw/zinc/78/99/04/576789904.db2.gz DIWHVYYVLQAOBT-OAHLLOKOSA-N 0 3 341.371 3.154 20 5 EGBDHN CCN(CC)[C@H](CNc1ccc([N+](=O)[O-])c2nonc21)c1ccco1 ZINC000742564726 576789978 /nfs/dbraw/zinc/78/99/78/576789978.db2.gz RSJUJQMCUWQPGQ-CYBMUJFWSA-N 0 3 345.359 3.219 20 5 EGBDHN C[C@@H](c1ccccc1[N+](=O)[O-])N(C)C[C@@]1(O)CCc2ccccc21 ZINC000829337810 1292563319 /nfs/dbraw/zinc/56/33/19/1292563319.db2.gz MEVDNSSYKLRRKZ-LIRRHRJNSA-N 0 3 326.396 3.422 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(N2CCCCC2=O)CC1 ZINC000876774861 1298977539 /nfs/dbraw/zinc/97/75/39/1298977539.db2.gz JEVSHFQHKXOILE-UHFFFAOYSA-N 0 3 345.443 3.189 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCCO[C@@H](c3ccccc3)C2)c1 ZINC000749681864 1299253287 /nfs/dbraw/zinc/25/32/87/1299253287.db2.gz BHSQKSAUNZOSLF-RTBURBONSA-N 0 3 342.395 3.092 20 5 EGBDHN Cc1nn(CN2CC[C@H](c3ccco3)C2)c2ccc([N+](=O)[O-])cc12 ZINC000764990724 1302181673 /nfs/dbraw/zinc/18/16/73/1302181673.db2.gz ZZDZBNRIDJHBMC-ZDUSSCGKSA-N 0 3 326.356 3.293 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775381136 1303951529 /nfs/dbraw/zinc/95/15/29/1303951529.db2.gz QSXRGMLKEVPOJB-VHDGCEQUSA-N 0 3 340.470 3.073 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C)cc2CN(C)C)c1 ZINC000776926515 1304220199 /nfs/dbraw/zinc/22/01/99/1304220199.db2.gz NUNGWSNUJUXHNN-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN Cc1cc(Cl)c(C(=O)NCCN2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000890068736 1304670584 /nfs/dbraw/zinc/67/05/84/1304670584.db2.gz DKRXMLHJMPIWNX-UHFFFAOYSA-N 0 3 339.823 3.018 20 5 EGBDHN COc1c([O-])ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000891629555 1305117110 /nfs/dbraw/zinc/11/71/10/1305117110.db2.gz GGZNIIQMZGSMQV-AWEZNQCLSA-N 0 3 328.368 3.299 20 5 EGBDHN COc1c([O-])ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000891629555 1305117113 /nfs/dbraw/zinc/11/71/13/1305117113.db2.gz GGZNIIQMZGSMQV-AWEZNQCLSA-N 0 3 328.368 3.299 20 5 EGBDHN O=[N+]([O-])c1ccc(CNC[C@H](O)CCc2ccccc2)cc1Cl ZINC000783666666 1305125196 /nfs/dbraw/zinc/12/51/96/1305125196.db2.gz JEZPDETVGFXOIE-OAHLLOKOSA-N 0 3 334.803 3.332 20 5 EGBDHN CC1(C)[C@@H](C(F)(F)F)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000787322727 1305731996 /nfs/dbraw/zinc/73/19/96/1305731996.db2.gz RYMUNXOHMZOADX-STQMWFEESA-N 0 3 332.322 3.291 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]C2(C)CCC(F)(F)CC2)c1[N+](=O)[O-] ZINC000893514152 1305943275 /nfs/dbraw/zinc/94/32/75/1305943275.db2.gz ATNTUYHLGTVOJP-UHFFFAOYSA-N 0 3 330.331 3.367 20 5 EGBDHN CCC(=O)N1CCC2(CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000957481853 1317391349 /nfs/dbraw/zinc/39/13/49/1317391349.db2.gz SHPUZIQPQKNROG-UHFFFAOYSA-N 0 3 345.443 3.209 20 5 EGBDHN C[C@H](NCC1(NC(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000901643680 1317457279 /nfs/dbraw/zinc/45/72/79/1317457279.db2.gz DYUKGPRTKGBPSH-LBPRGKRZSA-N 0 3 335.404 3.303 20 5 EGBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCc1nc2c(s1)CCC2 ZINC000903191332 1317669483 /nfs/dbraw/zinc/66/94/83/1317669483.db2.gz TXUDQNMTFQMYSR-SNVBAGLBSA-N 0 3 335.404 3.400 20 5 EGBDHN O=C(N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1)C1(F)CCCCC1 ZINC001020877648 1317978635 /nfs/dbraw/zinc/97/86/35/1317978635.db2.gz GBFSTLBPHCTHGH-SHTZXODSSA-N 0 3 349.406 3.004 20 5 EGBDHN CC(COC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)[N+](=O)[O-] ZINC000813110575 1318500129 /nfs/dbraw/zinc/50/01/29/1318500129.db2.gz DSIGUUBJNOTQLF-JTQLQIEISA-N 0 3 336.731 3.349 20 5 EGBDHN CCN(CC)c1nc2sc(C(=O)OCC(C)[N+](=O)[O-])cc2s1 ZINC000813107660 1318500202 /nfs/dbraw/zinc/50/02/02/1318500202.db2.gz PYEHLIJTCFGARM-MRVPVSSYSA-N 0 3 343.430 3.026 20 5 EGBDHN CC(COC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)[N+](=O)[O-] ZINC000813115188 1318502602 /nfs/dbraw/zinc/50/26/02/1318502602.db2.gz MIUDPTYAAQLEFR-QMMMGPOBSA-N 0 3 344.154 3.001 20 5 EGBDHN Cc1ccc(C(=O)c2ccccc2C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813113015 1318502817 /nfs/dbraw/zinc/50/28/17/1318502817.db2.gz NWNCNUCBIVAAFY-CQSZACIVSA-N 0 3 341.363 3.356 20 5 EGBDHN CC(COC(=O)CCn1c2ccccc2c2ccccc21)[N+](=O)[O-] ZINC000813115173 1318502853 /nfs/dbraw/zinc/50/28/53/1318502853.db2.gz LWYRIVUJZAJZNO-ZDUSSCGKSA-N 0 3 326.352 3.393 20 5 EGBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H](N)CC1CCCCC1)CC2 ZINC000818608349 1319568581 /nfs/dbraw/zinc/56/85/81/1319568581.db2.gz AFZASKNYXPCHMJ-HNNXBMFYSA-N 0 3 331.416 3.090 20 5 EGBDHN CSc1ccc(F)cc1CNC[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819127773 1319641912 /nfs/dbraw/zinc/64/19/12/1319641912.db2.gz KNFXCDJJNHMTJN-HNNXBMFYSA-N 0 3 336.388 3.279 20 5 EGBDHN C[C@@H]1C[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccccc2O1 ZINC000819341883 1319704599 /nfs/dbraw/zinc/70/45/99/1319704599.db2.gz MLMSETHZFBWIPS-JLZZUVOBSA-N 0 3 328.368 3.130 20 5 EGBDHN C[C@H]1C[C@H](NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2nccn21 ZINC000825017603 1320304060 /nfs/dbraw/zinc/30/40/60/1320304060.db2.gz VUEARLQCZJCLRR-GUYCJALGSA-N 0 3 341.415 3.056 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCCCC2)cc1Cl ZINC000836443411 1320488578 /nfs/dbraw/zinc/48/85/78/1320488578.db2.gz GSCOBFJUWSUABN-GFCCVEGCSA-N 0 3 339.823 3.161 20 5 EGBDHN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H](C)N1[C@H](C)CC[C@H]1C)CC2 ZINC000840409296 1321087518 /nfs/dbraw/zinc/08/75/18/1321087518.db2.gz IILZFLXZTPEAJZ-MCIONIFRSA-N 0 3 331.416 3.054 20 5 EGBDHN O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2NCCc3ccccc32)c1 ZINC000841069170 1321213214 /nfs/dbraw/zinc/21/32/14/1321213214.db2.gz PFZBOZYRAFPKTP-QGZVFWFLSA-N 0 3 331.803 3.225 20 5 EGBDHN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCc1ccccc1CN(C)C ZINC000843757402 1321544371 /nfs/dbraw/zinc/54/43/71/1321544371.db2.gz SEYDVXDXXUNQSH-UHFFFAOYSA-N 0 3 345.374 3.034 20 5 EGBDHN Cc1nc(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cs1 ZINC000845872627 1321747488 /nfs/dbraw/zinc/74/74/88/1321747488.db2.gz KNYLWAATZNWGAX-VFZGTOFNSA-N 0 3 338.360 3.083 20 5 EGBDHN CC([C@@H](OC(=O)c1noc2c1CCCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845873414 1321747754 /nfs/dbraw/zinc/74/77/54/1321747754.db2.gz DARLRTTWCBJQEA-QLJPJBMISA-N 0 3 348.330 3.256 20 5 EGBDHN CC([C@@H](OC(=O)c1cc(C(C)(C)C)[nH]n1)c1ccccc1F)[N+](=O)[O-] ZINC000845873548 1321748076 /nfs/dbraw/zinc/74/80/76/1321748076.db2.gz DQSXKQBXAJODAQ-ZUZCIYMTSA-N 0 3 349.362 3.410 20 5 EGBDHN COc1ccc(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cc1 ZINC000845874460 1321748194 /nfs/dbraw/zinc/74/81/94/1321748194.db2.gz ZFNYVICENDJTSJ-KZULUSFZSA-N 0 3 347.342 3.327 20 5 EGBDHN CCc1cncc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845877051 1321749484 /nfs/dbraw/zinc/74/94/84/1321749484.db2.gz DPQVMIICGFYRKU-MEDUHNTESA-N 0 3 332.331 3.346 20 5 EGBDHN CCc1ncsc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845877526 1321749692 /nfs/dbraw/zinc/74/96/92/1321749692.db2.gz QFFVUTZLFSFLIG-NOZJJQNGSA-N 0 3 338.360 3.408 20 5 EGBDHN CC([C@@H](OC(=O)[C@@H]1C[C@H]1c1cccnc1)c1ccccc1F)[N+](=O)[O-] ZINC000845884065 1321750967 /nfs/dbraw/zinc/75/09/67/1321750967.db2.gz XBSQFWXCBUAXOI-HVDRQEDPSA-N 0 3 344.342 3.274 20 5 EGBDHN CCc1cccc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])n1 ZINC000845883816 1321751105 /nfs/dbraw/zinc/75/11/05/1321751105.db2.gz WFAFQXAUZJSYHJ-BZNIZROVSA-N 0 3 332.331 3.346 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CSCCS1 ZINC000850439258 1322249564 /nfs/dbraw/zinc/24/95/64/1322249564.db2.gz GSZFCFZTAQNFDG-PWSUYJOCSA-N 0 3 328.459 3.103 20 5 EGBDHN C[C@H]1CC(F)(F)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000859836858 1329092478 /nfs/dbraw/zinc/09/24/78/1329092478.db2.gz AWMRWIVSPUSBAA-JTQLQIEISA-N 0 3 345.321 3.182 20 5 EGBDHN COC1CCN(CCNc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865593843 1329717811 /nfs/dbraw/zinc/71/78/11/1329717811.db2.gz LKCSEZVLUVNLDJ-UHFFFAOYSA-N 0 3 329.347 3.055 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ncn(CN3CC[C@H]4CCCC[C@H]4C3)n2)cc1 ZINC001116018010 1370820648 /nfs/dbraw/zinc/82/06/48/1370820648.db2.gz SWYKMCQDAJFJNK-ZBFHGGJFSA-N 0 3 341.415 3.323 20 5 EGBDHN CC([C@@H](OC(=O)c1cnc(C2CC2)o1)c1ccccc1F)[N+](=O)[O-] ZINC001123018793 1372363319 /nfs/dbraw/zinc/36/33/19/1372363319.db2.gz NLLUQVVUVNYRBI-YMTOWFKASA-N 0 3 334.303 3.254 20 5 EGBDHN CCCn1cc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c(C)n1 ZINC001123133823 1372386106 /nfs/dbraw/zinc/38/61/06/1372386106.db2.gz PJYIPPVDTDGAKU-WBMJQRKESA-N 0 3 349.362 3.304 20 5 EGBDHN O=[N+]([O-])c1cc2[n-]c(O[C@@H]3CCC[C@@]34CC[NH2+]C4)nc2cc1Cl ZINC001218097963 1373559981 /nfs/dbraw/zinc/55/99/81/1373559981.db2.gz WKGQJKOWMPUNHB-HIFRSBDPSA-N 0 3 336.779 3.036 20 5 EGBDHN Cc1cc([N+](=O)[O-])cnc1O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001226762222 1375327736 /nfs/dbraw/zinc/32/77/36/1375327736.db2.gz QXHJPYKUBBTIOH-QGZVFWFLSA-N 0 3 327.384 3.342 20 5 EGBDHN CC(C)c1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)s1 ZINC001152777417 1379980633 /nfs/dbraw/zinc/98/06/33/1379980633.db2.gz KUSFICVIODXTAJ-UHFFFAOYSA-N 0 3 347.440 3.299 20 5 EGBDHN O=[N+]([O-])c1cccc2ccc(N[C@H]3CNCc4ccsc43)nc21 ZINC001155561299 1380469011 /nfs/dbraw/zinc/46/90/11/1380469011.db2.gz LUDJQFHQAVLLDE-LBPRGKRZSA-N 0 3 326.381 3.461 20 5 EGBDHN Cc1cc(Cl)nc(N2CCNC[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC001156098933 1380525561 /nfs/dbraw/zinc/52/55/61/1380525561.db2.gz TUWICHJPULGXJS-SNVBAGLBSA-N 0 3 338.820 3.164 20 5 EGBDHN CC(C(=O)NCCCNCc1ccccc1[N+](=O)[O-])=C1CCCC1 ZINC001156430698 1380575175 /nfs/dbraw/zinc/57/51/75/1380575175.db2.gz ZGSKRIKFAWFMSS-UHFFFAOYSA-N 0 3 331.416 3.081 20 5 EGBDHN O=[N+]([O-])c1ccc2c(ccnc2N2CCN[C@H](c3ccccc3)C2)c1 ZINC001157766834 1381028524 /nfs/dbraw/zinc/02/85/24/1381028524.db2.gz PFAKBTYRAHTPKN-SFHVURJKSA-N 0 3 334.379 3.294 20 5 EGBDHN COc1cc(C)nc(N(C2CCCC2)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC001158488346 1381265249 /nfs/dbraw/zinc/26/52/49/1381265249.db2.gz UJOQABBHWWOERT-UHFFFAOYSA-N 0 3 348.447 3.150 20 5 EGBDHN Cc1c(C)c(N(C2CCCC2)C2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC001158487507 1381265375 /nfs/dbraw/zinc/26/53/75/1381265375.db2.gz DUZHRWKNNWSBDD-UHFFFAOYSA-N 0 3 332.448 3.450 20 5 EGBDHN CCOC(=O)c1cc(N[C@H]2CNCc3ccsc32)ccc1[N+](=O)[O-] ZINC001163229137 1382999862 /nfs/dbraw/zinc/99/98/62/1382999862.db2.gz GHDKUVSFFVIJFW-ZDUSSCGKSA-N 0 3 347.396 3.089 20 5 EGBDHN Cc1cc(Cl)c([N+](=O)[O-])c(NC[C@@H]2Cc3ccccc3CN2)n1 ZINC001163271847 1383010177 /nfs/dbraw/zinc/01/01/77/1383010177.db2.gz GUSKVBOWCZTTPG-ZDUSSCGKSA-N 0 3 332.791 3.078 20 5 EGBDHN COc1cccc(-c2nc(CN[C@@H]3CC[C@@H](C[N+](=O)[O-])C3)cs2)c1 ZINC001169008719 1384087812 /nfs/dbraw/zinc/08/78/12/1384087812.db2.gz UJAKANHKPOSKCY-TZMCWYRMSA-N 0 3 347.440 3.354 20 5 EGBDHN CCOc1cc2c(cc1OCC)CN([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169047103 1384100213 /nfs/dbraw/zinc/10/02/13/1384100213.db2.gz QSBVYAXZHUUVAI-YOEHRIQHSA-N 0 3 348.443 3.288 20 5 EGBDHN NCc1ccc2c(n1)N(c1ccnc3c1cccc3[N+](=O)[O-])CCC2 ZINC001169590904 1384162816 /nfs/dbraw/zinc/16/28/16/1384162816.db2.gz PQRUIDMCPGCUOO-UHFFFAOYSA-N 0 3 335.367 3.081 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1nc(-c2ccncc2)cc1CN ZINC001173217923 1384937764 /nfs/dbraw/zinc/93/77/64/1384937764.db2.gz HKEKUPYNPRDNBB-ZDUSSCGKSA-N 0 3 337.383 3.116 20 5 EGBDHN CCOC(=O)C1(C)CCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173227045 1384940366 /nfs/dbraw/zinc/94/03/66/1384940366.db2.gz MNJQNZLFZHHRSO-AWEZNQCLSA-N 0 3 334.416 3.191 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001173228433 1384940549 /nfs/dbraw/zinc/94/05/49/1384940549.db2.gz WTCONGSOWIAWEE-CRAIPNDOSA-N 0 3 345.443 3.003 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C(=O)N1CCCC1 ZINC001173228436 1384940590 /nfs/dbraw/zinc/94/05/90/1384940590.db2.gz WTCONGSOWIAWEE-YJBOKZPZSA-N 0 3 345.443 3.003 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)Cc1cccc2c1OCO2 ZINC001173238384 1384942534 /nfs/dbraw/zinc/94/25/34/1384942534.db2.gz QXVDSVMFQZAAFO-CYBMUJFWSA-N 0 3 328.368 3.387 20 5 EGBDHN CN(C)Cc1ccccc1-n1c2ccccc2nc2cc(N)c(=O)cc1-2 ZINC001173931224 1385032892 /nfs/dbraw/zinc/03/28/92/1385032892.db2.gz XPGLXTNKQJRYHJ-UHFFFAOYSA-N 0 3 344.418 3.134 20 5 EGBDHN CCS[C@H]1CCC[C@H]([NH2+]Cc2ccc([O-])c(OC)c2[N+](=O)[O-])C1 ZINC001333699140 1390377392 /nfs/dbraw/zinc/37/73/92/1390377392.db2.gz RRCGZOWUUGRXDO-STQMWFEESA-N 0 3 340.445 3.463 20 5 EGBDHN CC(=O)N(CCCNCc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC001755536783 1440869942 /nfs/dbraw/zinc/86/99/42/1440869942.db2.gz HWOIOMUCTUSWNS-UHFFFAOYSA-N 0 3 347.440 3.185 20 5 EGBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001164643235 719212683 /nfs/dbraw/zinc/21/26/83/719212683.db2.gz YKEIXHRAAOZGFZ-WDEREUQCSA-N 0 3 334.807 3.325 20 5 EGBDHN CC[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccccc1OC(F)F ZINC000179713146 529609397 /nfs/dbraw/zinc/60/93/97/529609397.db2.gz PJARSWQCFKUGLV-LBPRGKRZSA-N 0 3 340.330 3.134 20 5 EGBDHN Cc1c(NC(=O)CCN[C@@H](C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000181558245 234231142 /nfs/dbraw/zinc/23/11/42/234231142.db2.gz VJRFNBPTTOKTJD-ZDUSSCGKSA-N 0 3 343.383 3.288 20 5 EGBDHN C[C@H](C[S@@](C)=O)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000184264935 235349970 /nfs/dbraw/zinc/34/99/70/235349970.db2.gz QKJICUGHJCJWPJ-RKFFSXRUSA-N 0 3 338.454 3.180 20 5 EGBDHN CCCN(CCN1CCCC1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000352888481 283243106 /nfs/dbraw/zinc/24/31/06/283243106.db2.gz UYXQQRFNJFGDKI-UHFFFAOYSA-N 0 3 339.411 3.050 20 5 EGBDHN Cc1c([C@H](C)NCCC(=O)N2CCCCCC2)cccc1[N+](=O)[O-] ZINC000129082470 223019184 /nfs/dbraw/zinc/01/91/84/223019184.db2.gz VHMHNTNUHUDNHM-HNNXBMFYSA-N 0 3 333.432 3.347 20 5 EGBDHN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N(C)C ZINC000187205930 236146342 /nfs/dbraw/zinc/14/63/42/236146342.db2.gz VJKPXKMAIDSWMJ-GUYCJALGSA-N 0 3 327.384 3.016 20 5 EGBDHN CC(C)C(=O)NCCNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000236788824 242357713 /nfs/dbraw/zinc/35/77/13/242357713.db2.gz TXXFCQFYMOPUME-UHFFFAOYSA-N 0 3 347.440 3.185 20 5 EGBDHN Cc1cccc(C(=O)NC[C@@H](C)N(C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000110348622 220031319 /nfs/dbraw/zinc/03/13/19/220031319.db2.gz VKCWMPONQCOKCX-OAHLLOKOSA-N 0 3 341.411 3.154 20 5 EGBDHN O=C(CCCNCc1ccccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000111409598 220152847 /nfs/dbraw/zinc/15/28/47/220152847.db2.gz ZNCJNKDGGVIXNR-UHFFFAOYSA-N 0 3 339.395 3.054 20 5 EGBDHN CN(CC1CCN(C)CC1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000264101750 246065886 /nfs/dbraw/zinc/06/58/86/246065886.db2.gz UJCZNUOSGVQTMJ-UHFFFAOYSA-N 0 3 347.459 3.306 20 5 EGBDHN CC[C@H]1CCCCN1CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000264889123 247012372 /nfs/dbraw/zinc/01/23/72/247012372.db2.gz DXKHEIRTCHUVTB-ZDUSSCGKSA-N 0 3 339.823 3.243 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(OC[C@H]2CCOC2)CC1 ZINC000378506917 169132416 /nfs/dbraw/zinc/13/24/16/169132416.db2.gz SMCNZIFOCCAEEX-HOTGVXAUSA-N 0 3 348.443 3.482 20 5 EGBDHN Cc1ccc([C@H](C)NC[C@@H](O)COc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000268852285 252300767 /nfs/dbraw/zinc/30/07/67/252300767.db2.gz PZCQTJKJUHKEGM-XJKSGUPXSA-N 0 3 348.374 3.133 20 5 EGBDHN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](c1ccccc1)N(C)C ZINC000187194447 533293234 /nfs/dbraw/zinc/29/32/34/533293234.db2.gz HDZGYWQQUALHFZ-SJKOYZFVSA-N 0 3 345.374 3.155 20 5 EGBDHN COc1ccc([C@H](C)NCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000341212695 141139317 /nfs/dbraw/zinc/13/93/17/141139317.db2.gz QICWKQPPTPKDSV-ZDUSSCGKSA-N 0 3 343.383 3.283 20 5 EGBDHN C[C@H](NCCNC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000173412583 144040912 /nfs/dbraw/zinc/04/09/12/144040912.db2.gz KIFYPQVDHAXVFP-LBPRGKRZSA-N 0 3 347.802 3.329 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000192682026 144177750 /nfs/dbraw/zinc/17/77/50/144177750.db2.gz XHKMJADFONNDOE-CJNGLKHVSA-N 0 3 343.431 3.195 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN1CCN(C2CCCCC2)CC1 ZINC000361677617 144349076 /nfs/dbraw/zinc/34/90/76/144349076.db2.gz IENZGSFZKRKRBJ-UHFFFAOYSA-N 0 3 333.432 3.054 20 5 EGBDHN Cc1ccc(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000189634709 153086923 /nfs/dbraw/zinc/08/69/23/153086923.db2.gz AYMHPIJORPQURC-DZGCQCFKSA-N 0 3 346.349 3.476 20 5 EGBDHN CC(C)(CO)NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000304245148 154069506 /nfs/dbraw/zinc/06/95/06/154069506.db2.gz UXGRWAJQXURMCX-UHFFFAOYSA-N 0 3 334.347 3.387 20 5 EGBDHN CN(C)CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000348892901 156279453 /nfs/dbraw/zinc/27/94/53/156279453.db2.gz JWTYXKHDDZKLQP-UHFFFAOYSA-N 0 3 331.391 3.298 20 5 EGBDHN CN(CCN1CCCC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000349060006 156337096 /nfs/dbraw/zinc/33/70/96/156337096.db2.gz DIFPRRAQPLZQGR-UHFFFAOYSA-N 0 3 329.400 3.382 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000342162958 163803044 /nfs/dbraw/zinc/80/30/44/163803044.db2.gz NEMUHDKPRNXTPW-UHFFFAOYSA-N 0 3 333.432 3.105 20 5 EGBDHN C[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1C ZINC000345993689 164312225 /nfs/dbraw/zinc/31/22/25/164312225.db2.gz PDHZCXOGGQTZEG-NWDGAFQWSA-N 0 3 339.823 3.241 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H]4CC[C@@H](O)[C@@H]4C3)o2)c1 ZINC000346326401 164368571 /nfs/dbraw/zinc/36/85/71/164368571.db2.gz HTOCXJUSVQAZMU-IAOVAPTHSA-N 0 3 328.368 3.058 20 5 EGBDHN CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353798126 165892114 /nfs/dbraw/zinc/89/21/14/165892114.db2.gz UGIUSUGTTKJSMG-XYJFISCASA-N 0 3 345.443 3.255 20 5 EGBDHN CCC1(CC)[C@H](N[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000359422988 167152283 /nfs/dbraw/zinc/15/22/83/167152283.db2.gz WRJLHJNHCIHHHD-MAZHCROVSA-N 0 3 349.431 3.105 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CC([C@H]4CCOC4)C3)o2)cc1 ZINC000366251413 168098922 /nfs/dbraw/zinc/09/89/22/168098922.db2.gz VQWOOXKUISMTQP-AWEZNQCLSA-N 0 3 328.368 3.323 20 5 EGBDHN Cc1ccc([C@@H](C)NCc2cccc(-n3cncn3)c2)cc1[N+](=O)[O-] ZINC000366299646 168104034 /nfs/dbraw/zinc/10/40/34/168104034.db2.gz PBMLXFCIBCHWQJ-CQSZACIVSA-N 0 3 337.383 3.335 20 5 EGBDHN Cc1c(CC(=O)N(CC(C)C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000122843749 222170815 /nfs/dbraw/zinc/17/08/15/222170815.db2.gz GQZFWQHNBRYZRJ-UHFFFAOYSA-N 0 3 347.459 3.025 20 5 EGBDHN CC(C)(C)CCN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087161229 264681303 /nfs/dbraw/zinc/68/13/03/264681303.db2.gz IRMVJYCKUFBFAS-UHFFFAOYSA-N 0 3 347.459 3.108 20 5 EGBDHN CC(C)(C)[C@H](CCO)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000231074593 266206162 /nfs/dbraw/zinc/20/61/62/266206162.db2.gz JCPBDMFSZSZMOI-ZDUSSCGKSA-N 0 3 345.237 3.244 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN(Cc2cccc(F)c2)C2CC2)c1 ZINC000269692313 266343423 /nfs/dbraw/zinc/34/34/23/266343423.db2.gz VLUXGCBRFKDGED-SFHVURJKSA-N 0 3 330.359 3.432 20 5 EGBDHN O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@H]2c2cccs2)c1 ZINC000274067273 267174874 /nfs/dbraw/zinc/17/48/74/267174874.db2.gz PYLUDKBGKXIJMH-ZBFHGGJFSA-N 0 3 348.424 3.233 20 5 EGBDHN COc1cc(CN[C@H](C)[C@H]2COc3ccccc32)ccc1[N+](=O)[O-] ZINC000348771864 274094870 /nfs/dbraw/zinc/09/48/70/274094870.db2.gz HULCZJUMJNPVFB-IUODEOHRSA-N 0 3 328.368 3.258 20 5 EGBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@H](C)CN1Cc1ccccc1 ZINC000346677867 274364739 /nfs/dbraw/zinc/36/47/39/274364739.db2.gz WKZZQDQIJKNXQL-HUUCEWRRSA-N 0 3 326.400 3.089 20 5 EGBDHN CC[C@H](C)[C@@H](C)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000106439633 275168594 /nfs/dbraw/zinc/16/85/94/275168594.db2.gz XWDGGERPWHHFAX-QWHCGFSZSA-N 0 3 349.431 3.441 20 5 EGBDHN Cc1cc(NCC2([S@](C)=O)CCC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000280502858 275458179 /nfs/dbraw/zinc/45/81/79/275458179.db2.gz CHHNILGXQPXYGZ-QHCPKHFHSA-N 0 3 333.413 3.165 20 5 EGBDHN CC(C)c1ccc(CN2CCC[C@@H]2CN2CCOCC2)cc1[N+](=O)[O-] ZINC000092218195 276052615 /nfs/dbraw/zinc/05/26/15/276052615.db2.gz IODFDOKNKGEQHE-QGZVFWFLSA-N 0 3 347.459 3.015 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1COc2ccccc21 ZINC000288525953 276223834 /nfs/dbraw/zinc/22/38/34/276223834.db2.gz JUSAHOFIYCOWGS-CQSZACIVSA-N 0 3 328.368 3.259 20 5 EGBDHN O=[N+]([O-])c1cccc(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000288696546 276243173 /nfs/dbraw/zinc/24/31/73/276243173.db2.gz DMUPTUHROMEANL-LJQANCHMSA-N 0 3 344.386 3.161 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCc2occc2C1 ZINC000288963210 276272422 /nfs/dbraw/zinc/27/24/22/276272422.db2.gz YHBCCGVEQNJFAO-UHFFFAOYSA-N 0 3 343.383 3.273 20 5 EGBDHN Cc1cc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000067203638 280343352 /nfs/dbraw/zinc/34/33/52/280343352.db2.gz AUJXRGFYWWFEGY-MRXNPFEDSA-N 0 3 339.395 3.036 20 5 EGBDHN C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)N1[C@H](C)CC[C@H]1C ZINC000413594267 309038789 /nfs/dbraw/zinc/03/87/89/309038789.db2.gz XJSHBZAGLNNTHK-MCIONIFRSA-N 0 3 333.432 3.207 20 5 EGBDHN O=[N+]([O-])c1ccccc1C[C@H](NCc1cccc2c1OCO2)C1CC1 ZINC000130844384 307635122 /nfs/dbraw/zinc/63/51/22/307635122.db2.gz SXTOKGJOXFRELE-INIZCTEOSA-N 0 3 340.379 3.434 20 5 EGBDHN C[C@H](N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])c1ccn(C)n1 ZINC000414197406 309066332 /nfs/dbraw/zinc/06/63/32/309066332.db2.gz WKJSFLMLFFRQAI-JJRVBVJISA-N 0 3 328.416 3.390 20 5 EGBDHN CC(C)(C)OC1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162597711 307914760 /nfs/dbraw/zinc/91/47/60/307914760.db2.gz PBOKCSOEFKDAJJ-UHFFFAOYSA-N 0 3 349.431 3.203 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000248412728 308002492 /nfs/dbraw/zinc/00/24/92/308002492.db2.gz FOTHYRCQJUFQOQ-QRTARXTBSA-N 0 3 331.416 3.352 20 5 EGBDHN C[C@@H](NCc1cccc(N2CCOCC2)c1)c1cccc([N+](=O)[O-])c1 ZINC000293766888 308160046 /nfs/dbraw/zinc/16/00/46/308160046.db2.gz RUEDFCBGOWRMFC-OAHLLOKOSA-N 0 3 341.411 3.282 20 5 EGBDHN Cc1nnsc1CN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000293896270 308172019 /nfs/dbraw/zinc/17/20/19/308172019.db2.gz ZIVYGJAPESUMQA-JSGCOSHPSA-N 0 3 332.429 3.256 20 5 EGBDHN Cc1cc(Cl)c(C(=O)N[C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000294746731 308252744 /nfs/dbraw/zinc/25/27/44/308252744.db2.gz CUXXOGYENKQFRV-GFCCVEGCSA-N 0 3 339.823 3.161 20 5 EGBDHN Cc1c(CN2CCC[C@@H](CC(C)(C)C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000295484267 308331348 /nfs/dbraw/zinc/33/13/48/308331348.db2.gz GRIWRGZJZUMSMK-AWEZNQCLSA-N 0 3 333.432 3.017 20 5 EGBDHN CCOc1cc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1[N+](=O)[O-] ZINC000295844693 308365992 /nfs/dbraw/zinc/36/59/92/308365992.db2.gz DHVXUWBOIGDVRA-KBRIMQKVSA-N 0 3 332.400 3.041 20 5 EGBDHN CCOc1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1[N+](=O)[O-] ZINC000295844696 308366377 /nfs/dbraw/zinc/36/63/77/308366377.db2.gz DHVXUWBOIGDVRA-XKQJLSEDSA-N 0 3 332.400 3.041 20 5 EGBDHN CN(C)[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1cccc(F)c1 ZINC000302476256 308737831 /nfs/dbraw/zinc/73/78/31/308737831.db2.gz VKOZONAYKPYUJH-KRWDZBQOSA-N 0 3 344.390 3.417 20 5 EGBDHN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2F)CN1Cc1ccccc1 ZINC000413187010 309020329 /nfs/dbraw/zinc/02/03/29/309020329.db2.gz QPGWATUOHUEUHL-GXTWGEPZSA-N 0 3 330.363 3.204 20 5 EGBDHN C[C@@H]1C[C@@H](N2CCCC2)CN1c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413278136 309024784 /nfs/dbraw/zinc/02/47/84/309024784.db2.gz FYSOKSTUEVRQNG-ZYHUDNBSSA-N 0 3 344.337 3.072 20 5 EGBDHN CN(C)CCN(Cc1ccsc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000413440340 309032093 /nfs/dbraw/zinc/03/20/93/309032093.db2.gz BZTSAPGELANYGE-UHFFFAOYSA-N 0 3 340.836 3.273 20 5 EGBDHN C[C@H](NC(=O)C[C@@H](c1ccccc1)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000416237183 309165272 /nfs/dbraw/zinc/16/52/72/309165272.db2.gz DGULYDIBQNZKNB-KSSFIOAISA-N 0 3 341.411 3.465 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2noc(C3CN(C4CCCCC4)C3)n2)c1 ZINC000417275595 309200068 /nfs/dbraw/zinc/20/00/68/309200068.db2.gz CXMASVRZWQYAAA-UHFFFAOYSA-N 0 3 328.372 3.377 20 5 EGBDHN CC(C)c1ccc(CN[C@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000418135480 309237101 /nfs/dbraw/zinc/23/71/01/309237101.db2.gz PLYWQFLHYZKPQU-ZDUSSCGKSA-N 0 3 327.375 3.147 20 5 EGBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419337993 309264899 /nfs/dbraw/zinc/26/48/99/309264899.db2.gz RPQUIVTTWUBUGI-LSDHHAIUSA-N 0 3 333.432 3.340 20 5 EGBDHN Cc1cc(N2CCNC[C@](C)(F)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420265944 309278636 /nfs/dbraw/zinc/27/86/36/309278636.db2.gz QMSXPZKAXJGJQJ-ZDUSSCGKSA-N 0 3 335.301 3.060 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CCN(C)C)C1CCCC1 ZINC000421483958 309326677 /nfs/dbraw/zinc/32/66/77/309326677.db2.gz MPJSHWVEKGJNMN-UHFFFAOYSA-N 0 3 333.432 3.158 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 ZINC000421746953 309338185 /nfs/dbraw/zinc/33/81/85/309338185.db2.gz ASMKAPKLBSLHSS-IUODEOHRSA-N 0 3 333.432 3.062 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000421750217 309338301 /nfs/dbraw/zinc/33/83/01/309338301.db2.gz UDRHOISYMXVKOG-HNNXBMFYSA-N 0 3 333.432 3.062 20 5 EGBDHN CC[C@@H](O)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000422088220 309354558 /nfs/dbraw/zinc/35/45/58/309354558.db2.gz RYVJARGDWGYBMJ-CQSZACIVSA-N 0 3 334.347 3.387 20 5 EGBDHN Cc1c([C@@H](C)NC[C@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000423414354 309399229 /nfs/dbraw/zinc/39/92/29/309399229.db2.gz CBVIDAPGSGFZOS-RDTXWAMCSA-N 0 3 325.412 3.441 20 5 EGBDHN CCC1(CC)[C@H](OC)C[C@@H]1NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000429288520 309577045 /nfs/dbraw/zinc/57/70/45/309577045.db2.gz WJAWVXFSPQNOHE-LSDHHAIUSA-N 0 3 349.431 3.025 20 5 EGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2NCc2ccc(F)c(F)c2)n1 ZINC000447544494 309981721 /nfs/dbraw/zinc/98/17/21/309981721.db2.gz VSFJODHRVGIBOG-HUUCEWRRSA-N 0 3 336.342 3.343 20 5 EGBDHN COc1cc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000451544067 310184457 /nfs/dbraw/zinc/18/44/57/310184457.db2.gz DIQYHDXIOVEWSU-INIZCTEOSA-N 0 3 327.384 3.378 20 5 EGBDHN O=C(CCN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCCCC1 ZINC000451547672 310185057 /nfs/dbraw/zinc/18/50/57/310185057.db2.gz LLSLQEPZZQPYFF-QGZVFWFLSA-N 0 3 345.443 3.177 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451607612 310188970 /nfs/dbraw/zinc/18/89/70/310188970.db2.gz MZZCOWQLNZLUMG-IEBWSBKVSA-N 0 3 348.443 3.269 20 5 EGBDHN COc1ccc2c(c1)C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)CO2 ZINC000453235572 310265823 /nfs/dbraw/zinc/26/58/23/310265823.db2.gz XZDLODTZIFFZBJ-WFASDCNBSA-N 0 3 328.368 3.258 20 5 EGBDHN CNC(=O)C[C@H](C)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453376068 310273795 /nfs/dbraw/zinc/27/37/95/310273795.db2.gz PIMRFCIBSNDYOC-NWDGAFQWSA-N 0 3 347.440 3.499 20 5 EGBDHN Cc1ccc(C[C@@H](CO)N[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000453451767 310277793 /nfs/dbraw/zinc/27/77/93/310277793.db2.gz RVJRJMHYBIUTEF-YJBOKZPZSA-N 0 3 328.412 3.466 20 5 EGBDHN Cc1cc(NC(=O)c2csc([N+](=O)[O-])c2)ccc1OCCN(C)C ZINC000458205756 310491620 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3.396 20 5 EGBDHN CNc1ccc(C(=O)Nc2cc(C)cc(CN(C)C)c2)cc1[N+](=O)[O-] ZINC000535421785 314045958 /nfs/dbraw/zinc/04/59/58/314045958.db2.gz OVFARSGNWUXPBP-UHFFFAOYSA-N 0 3 342.399 3.259 20 5 EGBDHN Cc1ccc(CN(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1C ZINC000552885165 315236320 /nfs/dbraw/zinc/23/63/20/315236320.db2.gz ZSPDNWJWUXUZNZ-SFHVURJKSA-N 0 3 344.411 3.083 20 5 EGBDHN CCN(C[C@H]1CCCN1CC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000564239358 316127777 /nfs/dbraw/zinc/12/77/77/316127777.db2.gz RJRJGUBRPBQKGW-CQSZACIVSA-N 0 3 339.823 3.195 20 5 EGBDHN CN(C)C1(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CCC1 ZINC000571336889 317184630 /nfs/dbraw/zinc/18/46/30/317184630.db2.gz PWIHSTBMXRGJTE-ZDUSSCGKSA-N 0 3 331.338 3.272 20 5 EGBDHN Cc1ccc(C)c(OC[C@@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180414324 323439290 /nfs/dbraw/zinc/43/92/90/323439290.db2.gz FPTASTZIBVFGET-QAPCUYQASA-N 0 3 344.411 3.302 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](CC(N)=O)C1CCCCC1 ZINC000182068227 323524222 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Cc1c(CNCc2ccc(OCCN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000616483654 460568952 /nfs/dbraw/zinc/56/89/52/460568952.db2.gz WAOHTBSPNGJDCU-UHFFFAOYSA-N 0 3 343.427 3.133 20 5 EGBDHN CC(C)[C@H](CNc1ncccc1[N+](=O)[O-])N1CCc2ccccc2C1 ZINC000026727772 453804791 /nfs/dbraw/zinc/80/47/91/453804791.db2.gz STLVYXWBSXMYEE-SFHVURJKSA-N 0 3 340.427 3.485 20 5 EGBDHN CN(C(=O)CN(C1CC1)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000052664698 453841590 /nfs/dbraw/zinc/84/15/90/453841590.db2.gz RSRGHQPJWBKXLD-UHFFFAOYSA-N 0 3 331.416 3.355 20 5 EGBDHN CN(CCn1cc([N+](=O)[O-])cn1)C1c2ccccc2-c2ccccc21 ZINC000081596540 453892688 /nfs/dbraw/zinc/89/26/88/453892688.db2.gz XZTRCWFOKHFCCM-UHFFFAOYSA-N 0 3 334.379 3.493 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1cccs1 ZINC000041887690 453982977 /nfs/dbraw/zinc/98/29/77/453982977.db2.gz MFHBPMNRGYZHRV-UHFFFAOYSA-N 0 3 333.413 3.425 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC[C@H]1C1CCCC1 ZINC000055928067 454026401 /nfs/dbraw/zinc/02/64/01/454026401.db2.gz CKEWKKQUTHKBAO-KRWDZBQOSA-N 0 3 331.416 3.496 20 5 EGBDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000044314687 454096491 /nfs/dbraw/zinc/09/64/91/454096491.db2.gz HDGPDZQFHGQMDR-OAHLLOKOSA-N 0 3 345.424 3.223 20 5 EGBDHN O=[N+]([O-])c1ccc(Nc2ccc(CCN3CCSCC3)cc2)nc1 ZINC000057855097 454152856 /nfs/dbraw/zinc/15/28/56/454152856.db2.gz ACWISMNVQHMGAD-UHFFFAOYSA-N 0 3 344.440 3.325 20 5 EGBDHN Cc1c(C(=O)Nc2ccc(OCCN(C)C)cc2)cccc1[N+](=O)[O-] ZINC000046723199 454277124 /nfs/dbraw/zinc/27/71/24/454277124.db2.gz VOOUKBHKVFMOEQ-UHFFFAOYSA-N 0 3 343.383 3.096 20 5 EGBDHN Cc1cnc(N(C)C[C@@H]2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078674997 454296360 /nfs/dbraw/zinc/29/63/60/454296360.db2.gz GFXMGCWIVJUCSX-KRWDZBQOSA-N 0 3 340.427 3.257 20 5 EGBDHN COc1cccc(COCCN[C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000090806588 454341772 /nfs/dbraw/zinc/34/17/72/454341772.db2.gz LHIDCDOARFLNSY-AWEZNQCLSA-N 0 3 330.384 3.471 20 5 EGBDHN CN(C(=O)CN1CCC[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000121544992 454449463 /nfs/dbraw/zinc/44/94/63/454449463.db2.gz VMNMELDSTFPCHL-YOEHRIQHSA-N 0 3 331.416 3.212 20 5 EGBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccoc1 ZINC000102409357 454503063 /nfs/dbraw/zinc/50/30/63/454503063.db2.gz GFBUXEJBGTUNAC-UHFFFAOYSA-N 0 3 331.372 3.347 20 5 EGBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H](Nc2ccccc2)C1 ZINC000102846124 454523361 /nfs/dbraw/zinc/52/33/61/454523361.db2.gz NREUBUFQIDTABM-MRXNPFEDSA-N 0 3 327.384 3.160 20 5 EGBDHN COC1CCN(CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000080250191 454556874 /nfs/dbraw/zinc/55/68/74/454556874.db2.gz VVZAOCFUAYGBSM-UHFFFAOYSA-N 0 3 347.337 3.136 20 5 EGBDHN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000051050845 454606541 /nfs/dbraw/zinc/60/65/41/454606541.db2.gz NPECKJWZBVVWIM-NVXWUHKLSA-N 0 3 347.459 3.154 20 5 EGBDHN CCN(C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1)CC(F)(F)F ZINC000176412085 454741132 /nfs/dbraw/zinc/74/11/32/454741132.db2.gz SUYBRVANGAQRTM-AWEZNQCLSA-N 0 3 345.365 3.301 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCNC(=O)CC1CCCC1 ZINC000153658944 454817904 /nfs/dbraw/zinc/81/79/04/454817904.db2.gz HWNPYFMSSDLBGO-AWEZNQCLSA-N 0 3 333.432 3.250 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CN1CCCCC1 ZINC000127654830 454984922 /nfs/dbraw/zinc/98/49/22/454984922.db2.gz UIKPYHRVHMMMEL-CYBMUJFWSA-N 0 3 334.420 3.208 20 5 EGBDHN COc1ccccc1C(C)(C)NC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178868996 454986039 /nfs/dbraw/zinc/98/60/39/454986039.db2.gz UGMAOJKBDFZFBU-MRXNPFEDSA-N 0 3 330.384 3.162 20 5 EGBDHN Cc1c(NC(=O)CCN(C)[C@@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000127786944 454997759 /nfs/dbraw/zinc/99/77/59/454997759.db2.gz CXOKFKJUUQKLDD-AWEZNQCLSA-N 0 3 342.399 3.320 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151926811 455049904 /nfs/dbraw/zinc/04/99/04/455049904.db2.gz QJVHCBQIECMJTM-DOTOQJQBSA-N 0 3 346.383 3.155 20 5 EGBDHN Cc1c([C@H](C)NC[C@@H](O)COc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000152560377 455136293 /nfs/dbraw/zinc/13/62/93/455136293.db2.gz DRIPDCARUFUHFY-DZGCQCFKSA-N 0 3 348.374 3.133 20 5 EGBDHN CN(C)c1nc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cs1 ZINC000157025371 455161928 /nfs/dbraw/zinc/16/19/28/455161928.db2.gz IQBCEHIAJIYJTK-HNNXBMFYSA-N 0 3 346.456 3.228 20 5 EGBDHN CO[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1C ZINC000189290981 455170503 /nfs/dbraw/zinc/17/05/03/455170503.db2.gz RRVZGZNJGMNWNU-GUYCJALGSA-N 0 3 345.399 3.149 20 5 EGBDHN O=C(CCN1CCc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185147112 455509970 /nfs/dbraw/zinc/50/99/70/455509970.db2.gz RMAFWKPLECYKRK-UHFFFAOYSA-N 0 3 343.358 3.121 20 5 EGBDHN COc1ccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246864059 455531237 /nfs/dbraw/zinc/53/12/37/455531237.db2.gz PTBNGIWJAGJKDN-DOTOQJQBSA-N 0 3 345.443 3.052 20 5 EGBDHN CC[C@H]1CCCCN1CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247556586 455623632 /nfs/dbraw/zinc/62/36/32/455623632.db2.gz ZSBWCGRTAILLON-ZBFHGGJFSA-N 0 3 348.447 3.220 20 5 EGBDHN CCOc1ccc([C@@H](C)N[C@@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000271556211 455683123 /nfs/dbraw/zinc/68/31/23/455683123.db2.gz VUAJROXARBKVJK-BXUZGUMPSA-N 0 3 330.388 3.445 20 5 EGBDHN CCn1cnnc1[C@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249854907 455779862 /nfs/dbraw/zinc/77/98/62/455779862.db2.gz CYYWEMGIFKEZES-HIFRSBDPSA-N 0 3 329.404 3.147 20 5 EGBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1F ZINC000285242343 455811745 /nfs/dbraw/zinc/81/17/45/455811745.db2.gz GRBKBXYBYKUDDD-KRWDZBQOSA-N 0 3 336.338 3.081 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000187249978 455887137 /nfs/dbraw/zinc/88/71/37/455887137.db2.gz NKXJYLUMLZFURD-KBXCAEBGSA-N 0 3 341.411 3.324 20 5 EGBDHN Cc1c(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)cccc1[N+](=O)[O-] ZINC000187248761 455887307 /nfs/dbraw/zinc/88/73/07/455887307.db2.gz JTDUXLLYKYAOMM-RDTXWAMCSA-N 0 3 341.411 3.324 20 5 EGBDHN CC(=O)N1CCC[C@@H](CNc2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000280183283 455911414 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ZINC000595012679 459215683 /nfs/dbraw/zinc/21/56/83/459215683.db2.gz NNZLCAUBEZUFPO-DZGCQCFKSA-N 0 3 330.384 3.030 20 5 EGBDHN Cc1cccc(C(=O)NCCN[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000480906209 459223876 /nfs/dbraw/zinc/22/38/76/459223876.db2.gz IJGUEDQZZLHCPY-HNNXBMFYSA-N 0 3 341.411 3.292 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](CO)c1ccc(F)cc1 ZINC000595054170 459229282 /nfs/dbraw/zinc/22/92/82/459229282.db2.gz YOPYWQWFQDWMKQ-JSGCOSHPSA-N 0 3 348.374 3.169 20 5 EGBDHN CCC1CCC(N(C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533447518 459237554 /nfs/dbraw/zinc/23/75/54/459237554.db2.gz PJZOKGHIHBWBSB-UHFFFAOYSA-N 0 3 333.432 3.458 20 5 EGBDHN Cc1ccc([C@@H](C)NCC(C)(C)[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000595100014 459245676 /nfs/dbraw/zinc/24/56/76/459245676.db2.gz IBDGABBOGQYBGI-RDTXWAMCSA-N 0 3 336.432 3.122 20 5 EGBDHN CCCCN1CCCC[C@@H]1CNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000522849064 459266454 /nfs/dbraw/zinc/26/64/54/459266454.db2.gz BXZHYDCRIIRVFD-OAHLLOKOSA-N 0 3 348.447 3.021 20 5 EGBDHN CC[C@H](CNCc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(F)(F)F ZINC000591265407 459343441 /nfs/dbraw/zinc/34/34/41/459343441.db2.gz VJCBYBZTQWTJMU-JTQLQIEISA-N 0 3 348.321 3.434 20 5 EGBDHN CCN(Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000591840783 459451763 /nfs/dbraw/zinc/45/17/63/459451763.db2.gz ONNWFUYGDDTWII-LLVKDONJSA-N 0 3 343.221 3.216 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NC1(CC(C)C)CC1 ZINC000595831009 459457070 /nfs/dbraw/zinc/45/70/70/459457070.db2.gz JWXILQATLWOLQB-LBPRGKRZSA-N 0 3 335.404 3.099 20 5 EGBDHN CCN(CC)CCSc1ncc([N+](=O)[O-])c(C)c1Br ZINC000541577791 459468997 /nfs/dbraw/zinc/46/89/97/459468997.db2.gz YSZZZXCNYAMMSX-UHFFFAOYSA-N 0 3 348.266 3.495 20 5 EGBDHN COC(=O)C[C@@H](NCc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000541600409 459471999 /nfs/dbraw/zinc/47/19/99/459471999.db2.gz GPXJYXGSNREHIM-MRXNPFEDSA-N 0 3 338.379 3.336 20 5 EGBDHN COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595898497 459479929 /nfs/dbraw/zinc/47/99/29/459479929.db2.gz PSAYPLPCSWWASB-LKFLVWNSSA-N 0 3 332.400 3.142 20 5 EGBDHN O=c1[n-]ccc(NCC2CC[NH+](Cc3cccs3)CC2)c1[N+](=O)[O-] ZINC000596096167 459519208 /nfs/dbraw/zinc/51/92/08/459519208.db2.gz CSRFIFHXEJLFFW-UHFFFAOYSA-N 0 3 348.428 3.081 20 5 EGBDHN CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596193481 459556652 /nfs/dbraw/zinc/55/66/52/459556652.db2.gz DGSKDPQRCMKPEJ-MRXNPFEDSA-N 0 3 344.415 3.264 20 5 EGBDHN CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc[n-]c(=O)c1[N+](=O)[O-] ZINC000596193481 459556654 /nfs/dbraw/zinc/55/66/54/459556654.db2.gz DGSKDPQRCMKPEJ-MRXNPFEDSA-N 0 3 344.415 3.264 20 5 EGBDHN O=C1CC[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc2N1 ZINC000542494483 459561712 /nfs/dbraw/zinc/56/17/12/459561712.db2.gz KAMCSVPIDTXGLG-MRXNPFEDSA-N 0 3 341.367 3.037 20 5 EGBDHN CCOc1ccc([C@H](C)NCc2ccc(CO)cc2)cc1[N+](=O)[O-] ZINC000592393188 459589879 /nfs/dbraw/zinc/58/98/79/459589879.db2.gz SNYJCJZZEUEIPC-ZDUSSCGKSA-N 0 3 330.384 3.337 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)CCC2 ZINC000584271577 459695556 /nfs/dbraw/zinc/69/55/56/459695556.db2.gz URAXVVSUQHQMTM-IUODEOHRSA-N 0 3 343.349 3.198 20 5 EGBDHN COc1cc(-c2ccccc2CN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000596639413 459709628 /nfs/dbraw/zinc/70/96/28/459709628.db2.gz PVDUZRPPWMZXFH-UHFFFAOYSA-N 0 3 341.411 3.018 20 5 EGBDHN CC[C@@H]1COC(C)(C)CN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000593056326 459757705 /nfs/dbraw/zinc/75/77/05/459757705.db2.gz GATWFOOYOPHPAU-CQSZACIVSA-N 0 3 349.431 3.121 20 5 EGBDHN Cc1cc(NC(=O)N2CCCN(C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000545329097 459825247 /nfs/dbraw/zinc/82/52/47/459825247.db2.gz JNLVPUIFQYOMQS-UHFFFAOYSA-N 0 3 334.420 3.241 20 5 EGBDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000609383441 459955272 /nfs/dbraw/zinc/95/52/72/459955272.db2.gz NWLOERKVJWNPRN-ZDUSSCGKSA-N 0 3 345.424 3.024 20 5 EGBDHN CCOC[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602486874 459962905 /nfs/dbraw/zinc/96/29/05/459962905.db2.gz WQFPXKPXVNYSNK-LLVKDONJSA-N 0 3 332.322 3.472 20 5 EGBDHN CN1CCC(N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000609566846 459983716 /nfs/dbraw/zinc/98/37/16/459983716.db2.gz RYYRMBIOHVJZBL-UHFFFAOYSA-N 0 3 339.395 3.336 20 5 EGBDHN CC[C@](C)(CCO)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602570783 460003461 /nfs/dbraw/zinc/00/34/61/460003461.db2.gz TXYMIYPWOSAPNN-LLVKDONJSA-N 0 3 337.239 3.060 20 5 EGBDHN Cc1c(NC(=O)N[C@@H]2CCCN3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594056440 460077558 /nfs/dbraw/zinc/07/75/58/460077558.db2.gz CLPYKNLHVTVQJP-ZBFHGGJFSA-N 0 3 332.404 3.042 20 5 EGBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H]3CCN(C4CCCCC4)C3)nc2c1 ZINC000602710943 460078416 /nfs/dbraw/zinc/07/84/16/460078416.db2.gz MFASZWGRMIHPJT-CYBMUJFWSA-N 0 3 344.415 3.233 20 5 EGBDHN O=[N+]([O-])c1cc2c(cc1CN[C@@H]1CC[C@H]3CCC[C@@H]3C1)OCCO2 ZINC000610271368 460100837 /nfs/dbraw/zinc/10/08/37/460100837.db2.gz KWWBGZUZHXVJPJ-UMVBOHGHSA-N 0 3 332.400 3.424 20 5 EGBDHN CCc1nc2c(s1)[C@@H](N(C)CCn1c(C)ncc1[N+](=O)[O-])CCC2 ZINC000602797966 460131034 /nfs/dbraw/zinc/13/10/34/460131034.db2.gz SYCRMDZJCWNETD-ZDUSSCGKSA-N 0 3 349.460 3.128 20 5 EGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000594198297 460144890 /nfs/dbraw/zinc/14/48/90/460144890.db2.gz GLWLKNRCYKUPIQ-GDBMZVCRSA-N 0 3 349.456 3.063 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN[C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000610432831 460149832 /nfs/dbraw/zinc/14/98/32/460149832.db2.gz BMSNPBIITHXKPA-LJQANCHMSA-N 0 3 336.395 3.365 20 5 EGBDHN CN(C)CCN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC000610560180 460183945 /nfs/dbraw/zinc/18/39/45/460183945.db2.gz UQXMIQKQPALOEZ-UHFFFAOYSA-N 0 3 345.418 3.340 20 5 EGBDHN C[S@@](=O)c1ccc(CNC/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000610575192 460187348 /nfs/dbraw/zinc/18/73/48/460187348.db2.gz MOLMZIKRWOCZJM-FIYNHDKVSA-N 0 3 330.409 3.135 20 5 EGBDHN CCC(C)(C)N1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000594388831 460202486 /nfs/dbraw/zinc/20/24/86/460202486.db2.gz BPAJKENODQRMOU-UHFFFAOYSA-N 0 3 344.415 3.023 20 5 EGBDHN Cc1ccc(CN2CC[C@H](CN(C)c3cccnc3[N+](=O)[O-])C2)s1 ZINC000603399163 460296486 /nfs/dbraw/zinc/29/64/86/460296486.db2.gz FVTYFYOIHPTFSR-CQSZACIVSA-N 0 3 346.456 3.318 20 5 EGBDHN C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)c1ccccn1 ZINC000611469169 460371315 /nfs/dbraw/zinc/37/13/15/460371315.db2.gz LCEZLUVLSWGVQA-OLZOCXBDSA-N 0 3 328.372 3.058 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccc4cc[nH]c4c3)C2)nc1 ZINC000600115003 460387646 /nfs/dbraw/zinc/38/76/46/460387646.db2.gz CLPNZEIBNSSUQF-OAHLLOKOSA-N 0 3 337.383 3.158 20 5 EGBDHN COc1ccc(COCCN(C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000619785199 460444529 /nfs/dbraw/zinc/44/45/29/460444529.db2.gz VURJJNFPOBYDHK-UHFFFAOYSA-N 0 3 344.411 3.295 20 5 EGBDHN CCOc1cc(CN[C@@H](CO)[C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000617221170 460777185 /nfs/dbraw/zinc/77/71/85/460777185.db2.gz CTFJNUTUZCASAQ-PBHICJAKSA-N 0 3 344.411 3.248 20 5 EGBDHN C[C@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@@H](c1ccccc1)N(C)C ZINC000601456729 460815066 /nfs/dbraw/zinc/81/50/66/460815066.db2.gz VPMQNQABLXISMF-SJCJKPOMSA-N 0 3 345.374 3.155 20 5 EGBDHN C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1cccc(C(F)(F)F)c1 ZINC000181602155 533876987 /nfs/dbraw/zinc/87/69/87/533876987.db2.gz KQVCRGXMEBDIPQ-JTQLQIEISA-N 0 3 328.294 3.161 20 5 EGBDHN CC(C)(C)[C@H](CCO)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183674239 526694490 /nfs/dbraw/zinc/69/44/90/526694490.db2.gz ZPVKFTDWBVITSL-HNNXBMFYSA-N 0 3 333.388 3.137 20 5 EGBDHN CCOc1ccc([C@H](C)NC[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000152567205 528606837 /nfs/dbraw/zinc/60/68/37/528606837.db2.gz DVTHOMVMNFZWPR-GUYCJALGSA-N 0 3 330.384 3.378 20 5 EGBDHN CCOc1ccc([C@H](C)NCC[S@](=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000153845291 528607131 /nfs/dbraw/zinc/60/71/31/528607131.db2.gz MLLQDTPSRAMLPV-DAOPMYJZSA-N 0 3 342.461 3.191 20 5 EGBDHN O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000727701116 574685595 /nfs/dbraw/zinc/68/55/95/574685595.db2.gz PSEWNPJQMFYEJS-INIZCTEOSA-N 0 3 348.472 3.242 20 5 EGBDHN Cc1ccc(CN[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1[N+](=O)[O-] ZINC000728300800 574736595 /nfs/dbraw/zinc/73/65/95/574736595.db2.gz CISVRAJZNYEDLF-ZDUSSCGKSA-N 0 3 339.395 3.273 20 5 EGBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828698062 1292491244 /nfs/dbraw/zinc/49/12/44/1292491244.db2.gz AECTXDQNEFBTKG-KRWDZBQOSA-N 0 3 349.475 3.095 20 5 EGBDHN C[C@H]1CCC[C@H](C)N(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000172919207 1294449263 /nfs/dbraw/zinc/44/92/63/1294449263.db2.gz ANWBMURXUYXREV-KBPBESRZSA-N 0 3 329.404 3.321 20 5 EGBDHN Cc1cc(F)ncc1C(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000870455425 1295882118 /nfs/dbraw/zinc/88/21/18/1295882118.db2.gz ZJVJHMVBNJCEOZ-ZUZCIYMTSA-N 0 3 336.294 3.232 20 5 EGBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOC2=O)cc1 ZINC000748820301 1299088084 /nfs/dbraw/zinc/08/80/84/1299088084.db2.gz TZDSXLIMXMTJCS-ZDUSSCGKSA-N 0 3 341.367 3.402 20 5 EGBDHN CC[C@H](NC[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1OC ZINC000749669359 1299253842 /nfs/dbraw/zinc/25/38/42/1299253842.db2.gz DDPSLTWBMPLWOM-IRXDYDNUSA-N 0 3 330.384 3.378 20 5 EGBDHN CCN(CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)[C@H](C)C(C)C ZINC000752789037 1299794878 /nfs/dbraw/zinc/79/48/78/1299794878.db2.gz LGOQMLUCXBLOAN-CQSZACIVSA-N 0 3 334.420 3.161 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@@H](O)CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000878370779 1299952773 /nfs/dbraw/zinc/95/27/73/1299952773.db2.gz AVFHYFFMVUEJRS-ZBFHGGJFSA-N 0 3 336.432 3.000 20 5 EGBDHN Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000768980101 1303026434 /nfs/dbraw/zinc/02/64/34/1303026434.db2.gz FTWAYCHDVFBMCS-HDICACEKSA-N 0 3 337.423 3.471 20 5 EGBDHN CN(Cc1cccnc1[N+](=O)[O-])[C@H]1CCCN(Cc2ccccc2)C1 ZINC000886028096 1303323763 /nfs/dbraw/zinc/32/37/63/1303323763.db2.gz LXBYJEMQNGDEDZ-SFHVURJKSA-N 0 3 340.427 3.086 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCCO[C@@H](c3ccccc3)C2)cc1 ZINC000776276535 1304126309 /nfs/dbraw/zinc/12/63/09/1304126309.db2.gz JKGXURMZQPSJGK-RTBURBONSA-N 0 3 342.395 3.092 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]CCc2ccccc2Cl)c1[N+](=O)[O-] ZINC000892750217 1305538531 /nfs/dbraw/zinc/53/85/31/1305538531.db2.gz SQMMEUVHVGXWMP-UHFFFAOYSA-N 0 3 336.775 3.295 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCc2ccccc2OC1 ZINC000786832917 1305638338 /nfs/dbraw/zinc/63/83/38/1305638338.db2.gz UCQJMBILHHPCLY-OAHLLOKOSA-N 0 3 328.368 3.087 20 5 EGBDHN CCOC(=O)N1CC[C@H](N[C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788599883 1305978444 /nfs/dbraw/zinc/97/84/44/1305978444.db2.gz OEOKIFLLGHEYFN-BLLLJJGKSA-N 0 3 347.415 3.138 20 5 EGBDHN CCOC(=O)N1CC[C@H](N[C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000788599885 1305978703 /nfs/dbraw/zinc/97/87/03/1305978703.db2.gz OEOKIFLLGHEYFN-LRDDRELGSA-N 0 3 347.415 3.138 20 5 EGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000791118380 1308923965 /nfs/dbraw/zinc/92/39/65/1308923965.db2.gz XREPFYXHLAHQAJ-AWEZNQCLSA-N 0 3 339.823 3.098 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC[C@H](CO)c1ccc(F)cc1 ZINC000894914775 1309126639 /nfs/dbraw/zinc/12/66/39/1309126639.db2.gz YGFLHRCLPCDDIN-CYBMUJFWSA-N 0 3 338.766 3.253 20 5 EGBDHN C[C@H](O)CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000792867307 1309247444 /nfs/dbraw/zinc/24/74/44/1309247444.db2.gz OWPFIYYPOTXNLY-LBPRGKRZSA-N 0 3 337.376 3.019 20 5 EGBDHN Cc1nn(CN2CCC[C@H](C(C)(C)C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794703188 1309578671 /nfs/dbraw/zinc/57/86/71/1309578671.db2.gz AQALMPVZXFDKIV-ZDUSSCGKSA-N 0 3 331.420 3.364 20 5 EGBDHN CN(CCCN(C)c1c([N+](=O)[O-])cccc1[N+](=O)[O-])Cc1ccco1 ZINC000804840120 1317292679 /nfs/dbraw/zinc/29/26/79/1317292679.db2.gz ALPSYCQOUYZDAL-UHFFFAOYSA-N 0 3 348.359 3.054 20 5 EGBDHN O=C(CC1CCCCC1)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001019975205 1317482057 /nfs/dbraw/zinc/48/20/57/1317482057.db2.gz UDWRWYDDSMLGSG-QAQDUYKDSA-N 0 3 345.443 3.302 20 5 EGBDHN CCOc1ccc(Nc2ncccc2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813108653 1318500343 /nfs/dbraw/zinc/50/03/43/1318500343.db2.gz JHXGGNXOQVFPTB-LBPRGKRZSA-N 0 3 345.355 3.046 20 5 EGBDHN CN(C)Cc1ccccc1NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930125613 1328791849 /nfs/dbraw/zinc/79/18/49/1328791849.db2.gz IVNSGWOGEMSOEY-IRXDYDNUSA-N 0 3 339.395 3.399 20 5 EGBDHN Cc1nn(CN2CC[C@@H](C3CCCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000817371174 1319342181 /nfs/dbraw/zinc/34/21/81/1319342181.db2.gz RWOOZMCLXPYDRV-CQSZACIVSA-N 0 3 329.404 3.118 20 5 EGBDHN CC(C)(C)c1ccncc1CNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819369637 1319711799 /nfs/dbraw/zinc/71/17/99/1319711799.db2.gz YKVPUTIDBCBGOF-QGZVFWFLSA-N 0 3 329.400 3.111 20 5 EGBDHN COc1cccc(CC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845872226 1321747061 /nfs/dbraw/zinc/74/70/61/1321747061.db2.gz FCOCEBSXMNCMJP-KZULUSFZSA-N 0 3 347.342 3.327 20 5 EGBDHN CC([C@H](OC(=O)C[C@@H]1CCCCO1)c1ccccc1F)[N+](=O)[O-] ZINC000845872902 1321747183 /nfs/dbraw/zinc/74/71/83/1321747183.db2.gz AQUOBFBCXUBDDB-WQGACYEGSA-N 0 3 325.336 3.034 20 5 EGBDHN CC[C@@H]1CC[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])O1 ZINC000845874269 1321747710 /nfs/dbraw/zinc/74/77/10/1321747710.db2.gz GSARVDDAEYXAHI-RBDSIQFVSA-N 0 3 325.336 3.033 20 5 EGBDHN CC([C@@H](OC(=O)c1ccc2c(c1)COC2)c1ccccc1F)[N+](=O)[O-] ZINC000845873453 1321747772 /nfs/dbraw/zinc/74/77/72/1321747772.db2.gz DHIIFLRMGWFFRT-APPDUMDISA-N 0 3 345.326 3.419 20 5 EGBDHN CC([C@@H](OC(=O)CCC1CCOCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845873674 1321748256 /nfs/dbraw/zinc/74/82/56/1321748256.db2.gz DNJLPYZZRQKWPG-SJKOYZFVSA-N 0 3 339.363 3.282 20 5 EGBDHN CC([C@@H](OC(=O)CCCc1ccccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845878227 1321749352 /nfs/dbraw/zinc/74/93/52/1321749352.db2.gz RTLCDPFLDRWGLE-SCLBCKFNSA-N 0 3 346.358 3.493 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](O)c1ccc(C)cc1 ZINC000850425471 1322246274 /nfs/dbraw/zinc/24/62/74/1322246274.db2.gz MLRRFRVYSUHMOR-CXAGYDPISA-N 0 3 330.384 3.296 20 5 EGBDHN C[C@@H](NC[C@H](O)c1cc(F)c(F)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000850583992 1322274062 /nfs/dbraw/zinc/27/40/62/1322274062.db2.gz PMCSECBBLVFQRP-PSLIRLAXSA-N 0 3 340.301 3.396 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CNCCc1nc2c(s1)CCC2 ZINC000922717314 1322601938 /nfs/dbraw/zinc/60/19/38/1322601938.db2.gz HOHCZRGIHQJRQM-UHFFFAOYSA-N 0 3 347.440 3.271 20 5 EGBDHN CCSc1ccc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000923275875 1322724497 /nfs/dbraw/zinc/72/44/97/1322724497.db2.gz JDYBVSIFUGGXKN-OCCSQVGLSA-N 0 3 349.456 3.016 20 5 EGBDHN O=C(N[C@H]1CC[C@H](NCc2csc([N+](=O)[O-])c2)CC1)C1=CCCC1 ZINC001034626525 1342658835 /nfs/dbraw/zinc/65/88/35/1342658835.db2.gz XLTHJSLYEOPBPX-SHTZXODSSA-N 0 3 349.456 3.284 20 5 EGBDHN O=[N+]([O-])c1ccc2oc(-c3nc([C@@H]4CN5CCC4CC5)no3)cc2c1 ZINC001325469630 1387985177 /nfs/dbraw/zinc/98/51/77/1387985177.db2.gz LDIGKBWYOMXRSY-CYBMUJFWSA-N 0 3 340.339 3.200 20 5 EGBDHN CC/C(C)=C/C(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001200406408 1369362119 /nfs/dbraw/zinc/36/21/19/1369362119.db2.gz RFUMCQPBZVIJLL-XYOKQWHBSA-N 0 3 337.445 3.093 20 5 EGBDHN C=C/C(C)=C\CC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001202054200 1369677300 /nfs/dbraw/zinc/67/73/00/1369677300.db2.gz NJGGDGBMOIZYNT-PQMHYQBVSA-N 0 3 349.456 3.259 20 5 EGBDHN COC(=O)[C@H]1CCC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001116771350 1370970754 /nfs/dbraw/zinc/97/07/54/1370970754.db2.gz PXFNCCWAVVKTPJ-HOTGVXAUSA-N 0 3 344.367 3.286 20 5 EGBDHN CN(C)[C@@H]1CCOc2c(Nc3ccc(N)c([N+](=O)[O-])c3)cccc21 ZINC001209937890 1372237222 /nfs/dbraw/zinc/23/72/22/1372237222.db2.gz CFPBVCFNGKDRCB-OAHLLOKOSA-N 0 3 328.372 3.306 20 5 EGBDHN C[C@H](Oc1cccc2c1CNC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001218216358 1373579406 /nfs/dbraw/zinc/57/94/06/1373579406.db2.gz YWVXTZFOFTWKAC-JTQLQIEISA-N 0 3 328.324 3.067 20 5 EGBDHN Cc1ccc(O[C@H]2CNCc3ccccc32)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001218487063 1373623685 /nfs/dbraw/zinc/62/36/85/1373623685.db2.gz GIFPQVAYQJABTN-AWEZNQCLSA-N 0 3 329.312 3.035 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226752075 1375324690 /nfs/dbraw/zinc/32/46/90/1375324690.db2.gz XITBECRISSHZJD-CXAGYDPISA-N 0 3 345.374 3.418 20 5 EGBDHN CCC1(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC001152053990 1379853094 /nfs/dbraw/zinc/85/30/94/1379853094.db2.gz KQVALDFMSZGPML-UHFFFAOYSA-N 0 3 333.432 3.161 20 5 EGBDHN CN1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C2(CCCC2)C1 ZINC001158409938 1381235468 /nfs/dbraw/zinc/23/54/68/1381235468.db2.gz GKOGRVSOKMJOAW-UHFFFAOYSA-N 0 3 326.400 3.208 20 5 EGBDHN CC(C)N1CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C[C@@H]1C ZINC001158501091 1381269706 /nfs/dbraw/zinc/26/97/06/1381269706.db2.gz KGDFRXJYWRYDTK-NSHDSACASA-N 0 3 349.822 3.110 20 5 EGBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2csc(-c3cccc(F)c3)n2)C1 ZINC001169003593 1384085407 /nfs/dbraw/zinc/08/54/07/1384085407.db2.gz OMRQVGAUNQYDFR-FZMZJTMJSA-N 0 3 335.404 3.484 20 5 EGBDHN O=[N+]([O-])C[C@@H]1CC[C@H](n2c3ccccc3nc2[C@@H]2CCCCN2)C1 ZINC001169036155 1384096310 /nfs/dbraw/zinc/09/63/10/1384096310.db2.gz FMTMIDTVQQOVOA-YCPHGPKFSA-N 0 3 328.416 3.469 20 5 EGBDHN COc1ccc(C[C@@H](C)NCc2cnccc2Cl)c([N+](=O)[O-])c1 ZINC001170300090 1384285229 /nfs/dbraw/zinc/28/52/29/1384285229.db2.gz WULVWEFPRSGHTJ-LLVKDONJSA-N 0 3 335.791 3.373 20 5 EGBDHN O=c1[nH]ccc2c1CCN([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172921781 1384879759 /nfs/dbraw/zinc/87/97/59/1384879759.db2.gz SZDRTBVPOGRTOW-MRXNPFEDSA-N 0 3 339.395 3.001 20 5 EGBDHN COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2(c3cccnc3)CC2)c1F ZINC001173190826 1384933730 /nfs/dbraw/zinc/93/37/30/1384933730.db2.gz HOFDZIPHCKSMGX-GFCCVEGCSA-N 0 3 345.374 3.347 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001173220436 1384938624 /nfs/dbraw/zinc/93/86/24/1384938624.db2.gz ADKWLXDQNPSQGH-WFASDCNBSA-N 0 3 346.349 3.305 20 5 EGBDHN CC(C)CC(=O)N1CCCN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173231854 1384941385 /nfs/dbraw/zinc/94/13/85/1384941385.db2.gz NZTAFTKATBHSHS-INIZCTEOSA-N 0 3 347.459 3.106 20 5 EGBDHN Cc1ccc(CC2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC001320013648 1386452098 /nfs/dbraw/zinc/45/20/98/1386452098.db2.gz LIODOVWERSWXCT-UHFFFAOYSA-N 0 3 328.416 3.054 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN(C)C)c1C ZINC001331931936 1389916118 /nfs/dbraw/zinc/91/61/18/1389916118.db2.gz SNNGMZXTMMIHEJ-UHFFFAOYSA-N 0 3 341.411 3.203 20 5 EGBDHN COc1c([O-])ccc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001333743799 1390390347 /nfs/dbraw/zinc/39/03/47/1390390347.db2.gz YKSXJLQNQNEQAU-HUUCEWRRSA-N 0 3 328.368 3.030 20 5 EGBDHN COc1c(O)ccc(CN[C@@H]2C[C@H]2Cc2ccccc2)c1[N+](=O)[O-] ZINC001333743799 1390390351 /nfs/dbraw/zinc/39/03/51/1390390351.db2.gz YKSXJLQNQNEQAU-HUUCEWRRSA-N 0 3 328.368 3.030 20 5 EGBDHN CC(C)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001574168082 950501597 /nfs/dbraw/zinc/50/15/97/950501597.db2.gz OAIZPIGWNMASPJ-HNNXBMFYSA-N 0 3 344.419 3.176 20 5 EGBDHN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001574168082 950501605 /nfs/dbraw/zinc/50/16/05/950501605.db2.gz OAIZPIGWNMASPJ-HNNXBMFYSA-N 0 3 344.419 3.176 20 5 EGBDHN CC(C)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001574168082 950501623 /nfs/dbraw/zinc/50/16/23/950501623.db2.gz OAIZPIGWNMASPJ-HNNXBMFYSA-N 0 3 344.419 3.176 20 5 EGBDHN CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001574168082 950501638 /nfs/dbraw/zinc/50/16/38/950501638.db2.gz OAIZPIGWNMASPJ-HNNXBMFYSA-N 0 3 344.419 3.176 20 5 EGBDHN CN(CC1CCN(C)CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171563702 529865398 /nfs/dbraw/zinc/86/53/98/529865398.db2.gz QWNLPKCJGVTZNB-UHFFFAOYSA-N 0 3 347.440 3.223 20 5 EGBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H](c1nccn1C)C1CC1 ZINC000353874091 295872950 /nfs/dbraw/zinc/87/29/50/295872950.db2.gz XNTWHKXRHPOJSK-SUMWQHHRSA-N 0 3 328.416 3.390 20 5 EGBDHN O=[N+]([O-])c1ccc(NCc2ccc(CN3CCC(O)CC3)cc2)cc1 ZINC000264265402 246261138 /nfs/dbraw/zinc/26/11/38/246261138.db2.gz MRQLFMYIIRLTTB-UHFFFAOYSA-N 0 3 341.411 3.164 20 5 EGBDHN O=[N+]([O-])c1ccc(NC2CCN(C3CC3)CC2)c(Br)c1 ZINC000266121508 248111165 /nfs/dbraw/zinc/11/11/65/248111165.db2.gz WMSHIOPGXHEWNA-UHFFFAOYSA-N 0 3 340.221 3.396 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(OC[C@@H]2CCOC2)CC1 ZINC000378506919 169132578 /nfs/dbraw/zinc/13/25/78/169132578.db2.gz SMCNZIFOCCAEEX-JKSUJKDBSA-N 0 3 348.443 3.482 20 5 EGBDHN Cn1cc([C@H](NCCc2ccc([N+](=O)[O-])cc2)c2ccccc2)cn1 ZINC000378646728 169152520 /nfs/dbraw/zinc/15/25/20/169152520.db2.gz HMJWBXJFAUPEFI-LJQANCHMSA-N 0 3 336.395 3.250 20 5 EGBDHN CNC(=O)[C@H](C)CN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000093899102 218256022 /nfs/dbraw/zinc/25/60/22/218256022.db2.gz NRCAIUACCOOWCE-GFCCVEGCSA-N 0 3 347.440 3.137 20 5 EGBDHN CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268740449 252189740 /nfs/dbraw/zinc/18/97/40/252189740.db2.gz RSPPKBCZJOYOJP-VXGBXAGGSA-N 0 3 347.440 3.499 20 5 EGBDHN C[C@@H](CO)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237450562 141002567 /nfs/dbraw/zinc/00/25/67/141002567.db2.gz DZXHONZZMWJJBZ-GFCCVEGCSA-N 0 3 334.347 3.244 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000353348547 141292723 /nfs/dbraw/zinc/29/27/23/141292723.db2.gz HPCBQDZCBUFPHX-DOMZBBRYSA-N 0 3 346.387 3.439 20 5 EGBDHN CN1CCC[C@@H](NCc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1=O ZINC000344608507 144198288 /nfs/dbraw/zinc/19/82/88/144198288.db2.gz YIWNPSVUOQZQHS-OAHLLOKOSA-N 0 3 345.424 3.034 20 5 EGBDHN CCCN(CCN1CCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351724960 144297224 /nfs/dbraw/zinc/29/72/24/144297224.db2.gz RQWHLLOTWUFKTP-UHFFFAOYSA-N 0 3 338.383 3.074 20 5 EGBDHN COc1ccc(C[C@@H](C)NCc2ccccc2[N+](=O)[O-])cc1OC ZINC000120078882 286313836 /nfs/dbraw/zinc/31/38/36/286313836.db2.gz DRVOWOGNJPEFLW-CYBMUJFWSA-N 0 3 330.384 3.333 20 5 EGBDHN Cc1cnc(N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000310382807 154143287 /nfs/dbraw/zinc/14/32/87/154143287.db2.gz PSWOTHKOYSNLPG-GOEBONIOSA-N 0 3 326.400 3.373 20 5 EGBDHN COc1cc(CN[C@H]2CCCC[C@@H]2OC(F)F)c([N+](=O)[O-])cc1F ZINC000337394226 154329829 /nfs/dbraw/zinc/32/98/29/154329829.db2.gz IHMWUXBKOGKVFB-AAEUAGOBSA-N 0 3 348.321 3.383 20 5 EGBDHN CN(C)CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c(F)c1 ZINC000349034308 156325508 /nfs/dbraw/zinc/32/55/08/156325508.db2.gz OARJEVKILNWJML-UHFFFAOYSA-N 0 3 349.381 3.437 20 5 EGBDHN CCOc1cccc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000093534207 162015616 /nfs/dbraw/zinc/01/56/16/162015616.db2.gz QTKFYMWJKRHAFW-HNNXBMFYSA-N 0 3 342.399 3.075 20 5 EGBDHN CSc1ccc([C@@H](CNc2ncccc2[N+](=O)[O-])N(C)C)cc1 ZINC000338835527 163359573 /nfs/dbraw/zinc/35/95/73/163359573.db2.gz HVWAVPATPCYCRR-OAHLLOKOSA-N 0 3 332.429 3.427 20 5 EGBDHN CSc1ccc([C@H](CNc2ccc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000338836716 163360104 /nfs/dbraw/zinc/36/01/04/163360104.db2.gz MAGWFRNPPLQJCZ-HNNXBMFYSA-N 0 3 332.429 3.427 20 5 EGBDHN C[C@H]1C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])CN1C1CC1 ZINC000122262143 222047273 /nfs/dbraw/zinc/04/72/73/222047273.db2.gz XATJSGDXAADDJU-ONGXEEELSA-N 0 3 340.221 3.394 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN2CCC(c3ccc(O)cc3)CC2)c1 ZINC000269695905 266343738 /nfs/dbraw/zinc/34/37/38/266343738.db2.gz WSNYPHSCIDZVKZ-LJQANCHMSA-N 0 3 342.395 3.213 20 5 EGBDHN CN1CC[C@@H]2[C@H](CCCN2c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276546964 267570928 /nfs/dbraw/zinc/57/09/28/267570928.db2.gz DVZIVVXPMJNVMA-GDBMZVCRSA-N 0 3 326.400 3.064 20 5 EGBDHN O=[N+]([O-])c1cccc(CN(CCCO)[C@H]2CCc3ccccc32)c1 ZINC000114469738 275039214 /nfs/dbraw/zinc/03/92/14/275039214.db2.gz KQNJYDGFZSXKSH-IBGZPJMESA-N 0 3 326.396 3.467 20 5 EGBDHN O=[N+]([O-])c1cccc(F)c1CN1CCCN(Cc2ccccc2)CC1 ZINC000103465691 275162567 /nfs/dbraw/zinc/16/25/67/275162567.db2.gz XHABZNQCICFCOE-UHFFFAOYSA-N 0 3 343.402 3.442 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C ZINC000280007932 275389998 /nfs/dbraw/zinc/38/99/98/275389998.db2.gz LQLHELXDUTWVCB-RDTXWAMCSA-N 0 3 341.411 3.324 20 5 EGBDHN CCC(=O)c1ccc(N2CC[C@H](N3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286562119 276016989 /nfs/dbraw/zinc/01/69/89/276016989.db2.gz WYELFFYGYPEKJQ-ZFWWWQNUSA-N 0 3 331.416 3.251 20 5 EGBDHN CC(C)c1ccc(C(=O)N2CC[C@@H](N3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287315291 276107319 /nfs/dbraw/zinc/10/73/19/276107319.db2.gz UUOAUPNBTZREMU-RHSMWYFYSA-N 0 3 345.443 3.417 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000288180035 276188829 /nfs/dbraw/zinc/18/88/29/276188829.db2.gz BNFGZTCJRUJRDG-RHSMWYFYSA-N 0 3 340.427 3.500 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@H](c3ccncc3)C2)c1 ZINC000289404985 276333888 /nfs/dbraw/zinc/33/38/88/276333888.db2.gz SLMUNEFXINTKRV-INIZCTEOSA-N 0 3 327.384 3.248 20 5 EGBDHN C[C@@H](CCCNC(=O)OC(C)(C)C)NCc1cccc([N+](=O)[O-])c1 ZINC000289897764 276415151 /nfs/dbraw/zinc/41/51/51/276415151.db2.gz UELSYECYSLCXLG-ZDUSSCGKSA-N 0 3 337.420 3.378 20 5 EGBDHN CCN(CC)[C@@H](CNc1c([N+](=O)[O-])c(C)nn1CC)c1ccco1 ZINC000192539402 279147716 /nfs/dbraw/zinc/14/77/16/279147716.db2.gz SWSOMUNWSOUWRQ-ZDUSSCGKSA-N 0 3 335.408 3.208 20 5 EGBDHN CC[C@@H](c1ccncc1)N(C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000092224820 280220484 /nfs/dbraw/zinc/22/04/84/280220484.db2.gz WTKAQJXYXYLNRM-INIZCTEOSA-N 0 3 345.399 3.460 20 5 EGBDHN Cc1cccc(O[C@H]2CCCC[C@H]2NCc2c([N+](=O)[O-])ncn2C)c1 ZINC000362020173 302007344 /nfs/dbraw/zinc/00/73/44/302007344.db2.gz WSYHIKKBSVJFEO-WBVHZDCISA-N 0 3 344.415 3.117 20 5 EGBDHN COC(=O)[C@]1(C)CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000413581579 309038339 /nfs/dbraw/zinc/03/83/39/309038339.db2.gz BKRFGZKSNDHMMW-GOSISDBHSA-N 0 3 343.383 3.231 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(CCN(C)C)CC(C)C ZINC000120213027 307504543 /nfs/dbraw/zinc/50/45/43/307504543.db2.gz KZTLYZCILPVBGP-UHFFFAOYSA-N 0 3 336.436 3.263 20 5 EGBDHN C[C@H](N[C@@H](C)[C@H](O)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293611484 308146401 /nfs/dbraw/zinc/14/64/01/308146401.db2.gz GOQOVWHYMXTBPW-DINDLPBHSA-N 0 3 333.363 3.089 20 5 EGBDHN C[C@@H](NC[C@@]1(C)OCCc2sccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294415165 308218854 /nfs/dbraw/zinc/21/88/54/308218854.db2.gz UAZRUBBUKKVJOI-PIGZYNQJSA-N 0 3 347.440 3.377 20 5 EGBDHN C[C@@H]1[C@H](CO)CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414587692 309090856 /nfs/dbraw/zinc/09/08/56/309090856.db2.gz VILSAIGSEKCNPK-KGLIPLIRSA-N 0 3 330.384 3.448 20 5 EGBDHN CC(C)c1ccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295341518 308316261 /nfs/dbraw/zinc/31/62/61/308316261.db2.gz MPPVBJFFYPJLSO-AWEZNQCLSA-N 0 3 345.443 3.275 20 5 EGBDHN C[C@@H]1[C@@H](CO)CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414589466 309090976 /nfs/dbraw/zinc/09/09/76/309090976.db2.gz WWNZZLLCXIDUTN-UKRRQHHQSA-N 0 3 330.384 3.448 20 5 EGBDHN COc1cccc(NC(=O)CCN[C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000298546542 308623457 /nfs/dbraw/zinc/62/34/57/308623457.db2.gz YDBAFEWBFXBNPW-ZDUSSCGKSA-N 0 3 343.383 3.283 20 5 EGBDHN Cc1cc(N2CCN(CC(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000302148685 308731033 /nfs/dbraw/zinc/73/10/33/308731033.db2.gz HGQOHTYSOWHCAI-UHFFFAOYSA-N 0 3 328.416 3.229 20 5 EGBDHN CN(C)[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccc(F)cc1 ZINC000302479496 308737951 /nfs/dbraw/zinc/73/79/51/308737951.db2.gz WBEPRMSIMAEXPA-KRWDZBQOSA-N 0 3 344.390 3.417 20 5 EGBDHN Cc1ncsc1CCNc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000391237124 308901404 /nfs/dbraw/zinc/90/14/04/308901404.db2.gz WWJSSZXDGBTOFG-UHFFFAOYSA-N 0 3 328.397 3.293 20 5 EGBDHN C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2F)CCN1Cc1ccccc1 ZINC000413291728 309025358 /nfs/dbraw/zinc/02/53/58/309025358.db2.gz CKVYZVYQQLIOBO-BLLLJJGKSA-N 0 3 330.363 3.204 20 5 EGBDHN O=C(CCN1CCc2ccccc2C1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000416220256 309164452 /nfs/dbraw/zinc/16/44/52/309164452.db2.gz XAMVKNQPVXTBJB-UHFFFAOYSA-N 0 3 343.358 3.121 20 5 EGBDHN CC(C)(C)NC(=O)CCN[C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310559 309201260 /nfs/dbraw/zinc/20/12/60/309201260.db2.gz LXDCICPVUXLISG-MRXNPFEDSA-N 0 3 333.432 3.257 20 5 EGBDHN CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419337991 309264912 /nfs/dbraw/zinc/26/49/12/309264912.db2.gz RPQUIVTTWUBUGI-HUUCEWRRSA-N 0 3 333.432 3.340 20 5 EGBDHN CN(C(=O)CN1CC[C@@H](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000420967438 309305106 /nfs/dbraw/zinc/30/51/06/309305106.db2.gz YTHXXHOIFWCZTH-OAHLLOKOSA-N 0 3 331.416 3.070 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 ZINC000421746954 309338208 /nfs/dbraw/zinc/33/82/08/309338208.db2.gz ASMKAPKLBSLHSS-SWLSCSKDSA-N 0 3 333.432 3.062 20 5 EGBDHN Cc1c([C@H](C)NC[C@H]2NCCc3ccccc32)cccc1[N+](=O)[O-] ZINC000423414351 309399374 /nfs/dbraw/zinc/39/93/74/309399374.db2.gz CBVIDAPGSGFZOS-KBXCAEBGSA-N 0 3 325.412 3.441 20 5 EGBDHN CC(C)C1(C)CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000426783249 309516336 /nfs/dbraw/zinc/51/63/36/309516336.db2.gz KHBPXCBGJPYVEU-HNNXBMFYSA-N 0 3 336.432 3.093 20 5 EGBDHN O=[N+]([O-])c1ccc(CNC[C@@]2(CO)C[C@@H]2c2ccc(F)cc2)c(F)c1 ZINC000428552493 309555108 /nfs/dbraw/zinc/55/51/08/309555108.db2.gz VLOFAHVATYWGNY-SJLPKXTDSA-N 0 3 348.349 3.129 20 5 EGBDHN CC1(C)C[C@H](NCc2ccc(C(N)=O)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433162656 309680404 /nfs/dbraw/zinc/68/04/04/309680404.db2.gz MSQFPXUHDFQHBH-KRWDZBQOSA-N 0 3 339.395 3.206 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H](CO)Cc1ccc(F)cc1)CCC2 ZINC000447585610 309983400 /nfs/dbraw/zinc/98/34/00/309983400.db2.gz KWEMLCNLTBNKPO-VQIMIIECSA-N 0 3 344.386 3.305 20 5 EGBDHN CCc1cc(SCCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000447649598 309985207 /nfs/dbraw/zinc/98/52/07/309985207.db2.gz IODQCFAGTGONAG-UHFFFAOYSA-N 0 3 332.429 3.268 20 5 EGBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)C(=O)Nc1ccccc1 ZINC000449149596 310040495 /nfs/dbraw/zinc/04/04/95/310040495.db2.gz XLDXYOHNIVKINL-KBPBESRZSA-N 0 3 327.384 3.143 20 5 EGBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCO[C@H](c3ccncc3)C2)c(F)c1 ZINC000449535294 310069868 /nfs/dbraw/zinc/06/98/68/310069868.db2.gz HJMPZVZLARWZIU-PBHICJAKSA-N 0 3 331.347 3.139 20 5 EGBDHN CCO[C@@H]1COC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449711583 310081871 /nfs/dbraw/zinc/08/18/71/310081871.db2.gz DYOZVZLEFIMHFE-HZPDHXFCSA-N 0 3 348.424 3.217 20 5 EGBDHN CN1CC[C@H]2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)[C@H]2C1 ZINC000450429508 310122044 /nfs/dbraw/zinc/12/20/44/310122044.db2.gz LOROMKAUYNTBTF-BBRMVZONSA-N 0 3 344.440 3.249 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000450860921 310146382 /nfs/dbraw/zinc/14/63/82/310146382.db2.gz NFGOEOQAFFXKLL-UAGQMJEPSA-N 0 3 332.400 3.041 20 5 EGBDHN CC(C)[C@H]1N(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCCC2 ZINC000453039665 310253893 /nfs/dbraw/zinc/25/38/93/310253893.db2.gz OSDMJTKQGUPPHJ-MAUKXSAKSA-N 0 3 348.443 3.235 20 5 EGBDHN CC(C)N1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000454350417 310304846 /nfs/dbraw/zinc/30/48/46/310304846.db2.gz CIZUCGSEOIXDNL-LBPRGKRZSA-N 0 3 340.811 3.195 20 5 EGBDHN Cc1nc(N(CCN(C)C)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000471750431 310745485 /nfs/dbraw/zinc/74/54/85/310745485.db2.gz VKLNUUUUKYRHQT-UHFFFAOYSA-N 0 3 332.379 3.006 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN1CCCCCC1 ZINC000475644133 310814946 /nfs/dbraw/zinc/81/49/46/310814946.db2.gz YISMEHFMMHJPIT-UHFFFAOYSA-N 0 3 334.420 3.209 20 5 EGBDHN COCCN(Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000487951000 311044373 /nfs/dbraw/zinc/04/43/73/311044373.db2.gz BSHWAELUVTYRJB-SWLSCSKDSA-N 0 3 340.395 3.380 20 5 EGBDHN CCC1CCC(N(CCO)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000488225948 311056798 /nfs/dbraw/zinc/05/67/98/311056798.db2.gz CJNYZTLZHNQPCT-UHFFFAOYSA-N 0 3 336.432 3.367 20 5 EGBDHN CN(C)Cc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492836660 311297198 /nfs/dbraw/zinc/29/71/98/311297198.db2.gz KCQWCEQOHJSTKR-ZHACJKMWSA-N 0 3 325.368 3.308 20 5 EGBDHN Cc1ccc([C@@H](NCCn2cc([N+](=O)[O-])cn2)c2ccccc2)cc1 ZINC000494037559 311452642 /nfs/dbraw/zinc/45/26/42/311452642.db2.gz HKNFUHSKLXQTFV-IBGZPJMESA-N 0 3 336.395 3.479 20 5 EGBDHN CCOc1ccc([C@@H](C)NCCN2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000504925456 312012410 /nfs/dbraw/zinc/01/24/10/312012410.db2.gz BYYDPQWLXWPWCL-OAHLLOKOSA-N 0 3 335.448 3.376 20 5 EGBDHN CO[C@@H]1[C@H]2C[C@H]3CN(Cc4cc([N+](=O)[O-])ccc4OC(C)C)[C@H]1[C@H]3C2 ZINC000511621486 312164350 /nfs/dbraw/zinc/16/43/50/312164350.db2.gz DYEDKFXPTAKWPY-IENPJVBLSA-N 0 3 346.427 3.237 20 5 EGBDHN CC(C)CN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C1CCN(C)CC1 ZINC000514766607 312244169 /nfs/dbraw/zinc/24/41/69/312244169.db2.gz ZQHPWBTYINIQLH-OAHLLOKOSA-N 0 3 347.459 3.277 20 5 EGBDHN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000551720064 315165409 /nfs/dbraw/zinc/16/54/09/315165409.db2.gz ORZQKRXZBLXWTI-YOEHRIQHSA-N 0 3 342.395 3.105 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](CO)Cc1ccc(F)cc1 ZINC000552923047 315237939 /nfs/dbraw/zinc/23/79/39/315237939.db2.gz FYLHTHZZFWUQGK-BBRMVZONSA-N 0 3 332.375 3.297 20 5 EGBDHN CN(CCc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1cccc(Cl)c1 ZINC000554251249 315304703 /nfs/dbraw/zinc/30/47/03/315304703.db2.gz MGMWEZMIHBZEKE-KRWDZBQOSA-N 0 3 348.830 3.326 20 5 EGBDHN C[C@H](NC[C@H]1CN(c2ccccc2)CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000563366932 316008012 /nfs/dbraw/zinc/00/80/12/316008012.db2.gz VITSWRGUQQHFFR-KXBFYZLASA-N 0 3 341.411 3.151 20 5 EGBDHN CCCC[C@@H](C)[C@H](C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569848288 316972956 /nfs/dbraw/zinc/97/29/56/316972956.db2.gz QLFOCGNKLVEXLE-KGLIPLIRSA-N 0 3 342.461 3.173 20 5 EGBDHN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000570831508 317114781 /nfs/dbraw/zinc/11/47/81/317114781.db2.gz MHFFEKUOONGISL-RDTXWAMCSA-N 0 3 342.395 3.105 20 5 EGBDHN CN(CCCN[C@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000572135395 317296594 /nfs/dbraw/zinc/29/65/94/317296594.db2.gz XIELZVYIOPEZCT-ZDUSSCGKSA-N 0 3 331.338 3.056 20 5 EGBDHN COC[C@@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000182831638 323577817 /nfs/dbraw/zinc/57/78/17/323577817.db2.gz CTWUFXZPDKUJRH-QGZVFWFLSA-N 0 3 336.338 3.393 20 5 EGBDHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NCc2cccc([N+](=O)[O-])c2)C1 ZINC000382458286 324250893 /nfs/dbraw/zinc/25/08/93/324250893.db2.gz SFWKXOFLGHQIAF-GJZGRUSLSA-N 0 3 349.431 3.378 20 5 EGBDHN C[C@@H](NCCOCC(F)(F)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189833363 455245019 /nfs/dbraw/zinc/24/50/19/455245019.db2.gz VVTSVAUCXIWBBK-SECBINFHSA-N 0 3 342.264 3.460 20 5 EGBDHN COc1ccc(OCCN(C)[C@H](C)c2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000173365180 455273719 /nfs/dbraw/zinc/27/37/19/455273719.db2.gz RKAJBWVBJRSCOX-CYBMUJFWSA-N 0 3 346.383 3.381 20 5 EGBDHN CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCC[C@H]1O ZINC000245693994 455357395 /nfs/dbraw/zinc/35/73/95/455357395.db2.gz AZQLMEAQDXSECF-WMLDXEAASA-N 0 3 330.384 3.448 20 5 EGBDHN CN(C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000016599295 453615174 /nfs/dbraw/zinc/61/51/74/453615174.db2.gz UMKTXUKBEKPFLM-MRXNPFEDSA-N 0 3 347.802 3.281 20 5 EGBDHN CC[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)cc1 ZINC000026712703 453804261 /nfs/dbraw/zinc/80/42/61/453804261.db2.gz GEVSJNSBJNCCTL-HKUYNNGSSA-N 0 3 344.411 3.384 20 5 EGBDHN CCN(CC)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000031987979 453860658 /nfs/dbraw/zinc/86/06/58/453860658.db2.gz YIHRQNFPPALXIN-INIZCTEOSA-N 0 3 347.440 3.469 20 5 EGBDHN O=C(Nc1cccc(CN2CCCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000040512031 453951900 /nfs/dbraw/zinc/95/19/00/453951900.db2.gz GZWJESZIOLWOGP-UHFFFAOYSA-N 0 3 325.368 3.443 20 5 EGBDHN Cc1ccc(CN(C)CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000076342883 453991149 /nfs/dbraw/zinc/99/11/49/453991149.db2.gz ZHZCVWCVPRSQAH-UHFFFAOYSA-N 0 3 333.413 3.425 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000085635110 454035468 /nfs/dbraw/zinc/03/54/68/454035468.db2.gz DMIHZJSOUIVLMD-CQSZACIVSA-N 0 3 334.420 3.017 20 5 EGBDHN CCCCN(C)C(=O)C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077203407 454074313 /nfs/dbraw/zinc/07/43/13/454074313.db2.gz SHCOCSOWKNWDGH-UHFFFAOYSA-N 0 3 347.459 3.108 20 5 EGBDHN C[C@H](NC(=O)N1CCCN(C(C)(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000057615762 454137671 /nfs/dbraw/zinc/13/76/71/454137671.db2.gz FZXRISDRVSFHGO-AWEZNQCLSA-N 0 3 348.447 3.172 20 5 EGBDHN C[C@H](NCCOc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 ZINC000089580969 454163122 /nfs/dbraw/zinc/16/31/22/454163122.db2.gz GTTMSBQWXWXSDC-LBPRGKRZSA-N 0 3 330.340 3.053 20 5 EGBDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000120214830 454273864 /nfs/dbraw/zinc/27/38/64/454273864.db2.gz KOXIVJOVUGNLTR-CABCVRRESA-N 0 3 346.431 3.302 20 5 EGBDHN CN(C)c1cccc(CN[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000090851241 454345986 /nfs/dbraw/zinc/34/59/86/454345986.db2.gz LJQWVOJKTPNTBQ-KRWDZBQOSA-N 0 3 340.427 3.167 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]1c1ccc[nH]1 ZINC000063507404 454419700 /nfs/dbraw/zinc/41/97/00/454419700.db2.gz IQKVUWFMIZPZAB-QGZVFWFLSA-N 0 3 342.399 3.397 20 5 EGBDHN COc1ccc(-c2ccc(CN[C@@H](CO)CC(C)C)o2)c([N+](=O)[O-])c1 ZINC000102424178 454505119 /nfs/dbraw/zinc/50/51/19/454505119.db2.gz VJTYJUANUPYDAA-CYBMUJFWSA-N 0 3 348.399 3.360 20 5 EGBDHN C[C@@H](NC(=O)NC[C@H](C)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000065478731 454573987 /nfs/dbraw/zinc/57/39/87/454573987.db2.gz LYWQHKAOJNGJJO-LSDHHAIUSA-N 0 3 348.447 3.075 20 5 EGBDHN Cc1cc(N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000092642500 454598153 /nfs/dbraw/zinc/59/81/53/454598153.db2.gz BZSRTNDRYMFXEK-HOTGVXAUSA-N 0 3 347.459 3.229 20 5 EGBDHN CCC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000051051104 454606755 /nfs/dbraw/zinc/60/67/55/454606755.db2.gz OBCSFCSFDKJMIO-ZBFHGGJFSA-N 0 3 333.432 3.112 20 5 EGBDHN CC(C)c1nn(C)c(Cl)c1CNCCc1ccc([N+](=O)[O-])cc1 ZINC000105448221 454638963 /nfs/dbraw/zinc/63/89/63/454638963.db2.gz VGAWBTDISIHDGW-UHFFFAOYSA-N 0 3 336.823 3.437 20 5 EGBDHN C[C@H](NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000123685974 454665324 /nfs/dbraw/zinc/66/53/24/454665324.db2.gz WHMSOCIPXVTNPH-ZNMIVQPWSA-N 0 3 335.448 3.133 20 5 EGBDHN CSc1ccc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106790920 454718969 /nfs/dbraw/zinc/71/89/69/454718969.db2.gz VRBFYHXNFGPLAR-CYBMUJFWSA-N 0 3 349.456 3.063 20 5 EGBDHN Cc1cccc(OC[C@H](O)CN[C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000152895272 454738505 /nfs/dbraw/zinc/73/85/05/454738505.db2.gz YSZQWFQHMPFQIQ-NVXWUHKLSA-N 0 3 344.411 3.302 20 5 EGBDHN C[C@H](O)[C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000136844982 454758736 /nfs/dbraw/zinc/75/87/36/454758736.db2.gz IZVBJMLNHMWISC-ZFWWWQNUSA-N 0 3 330.384 3.448 20 5 EGBDHN COc1cccc([C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000136897039 454760182 /nfs/dbraw/zinc/76/01/82/454760182.db2.gz LKGAFWOWEFUCII-OALUTQOASA-N 0 3 342.395 3.474 20 5 EGBDHN CC[C@H](c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000141380384 454828567 /nfs/dbraw/zinc/82/85/67/454828567.db2.gz BFYFLZVVQAOLOL-QGZVFWFLSA-N 0 3 326.400 3.263 20 5 EGBDHN Cc1ccc(CN(C)C)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000177300812 454847915 /nfs/dbraw/zinc/84/79/15/454847915.db2.gz BERQPRNNFBPLEN-UHFFFAOYSA-N 0 3 327.384 3.146 20 5 EGBDHN O=[N+]([O-])c1cnn(CCN[C@@H](Cc2ccccc2)c2cccs2)c1 ZINC000184977546 455480749 /nfs/dbraw/zinc/48/07/49/455480749.db2.gz FTITVYCMZZESDJ-INIZCTEOSA-N 0 3 342.424 3.426 20 5 EGBDHN CC[C@@H](C)[C@@H](O)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000112381133 454885746 /nfs/dbraw/zinc/88/57/46/454885746.db2.gz MNSFFOGZNGQFLD-PXAZEXFGSA-N 0 3 348.399 3.360 20 5 EGBDHN CC[C@H](NCCC(=O)Nc1ccc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000167217827 454919210 /nfs/dbraw/zinc/91/92/10/454919210.db2.gz AZUXWAYPZUCKPG-INIZCTEOSA-N 0 3 342.399 3.368 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000168171781 454925949 /nfs/dbraw/zinc/92/59/49/454925949.db2.gz BXWASHHXQGNYAY-ZIAGYGMSSA-N 0 3 344.390 3.367 20 5 EGBDHN Cc1c([C@H](C)N[C@H]2CCN(c3ncccc3F)C2)cccc1[N+](=O)[O-] ZINC000168172994 454926117 /nfs/dbraw/zinc/92/61/17/454926117.db2.gz VBWVCHFAPZPDCA-KBPBESRZSA-N 0 3 344.390 3.367 20 5 EGBDHN Cc1ccccc1C[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000191564463 455498060 /nfs/dbraw/zinc/49/80/60/455498060.db2.gz PWABDNSJSXHNMF-NVXWUHKLSA-N 0 3 328.412 3.466 20 5 EGBDHN C[C@@H]1C[C@@H]1[C@H](NCCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000180020531 455117094 /nfs/dbraw/zinc/11/70/94/455117094.db2.gz NYPHKNRWXKALQN-XFBWCDHKSA-N 0 3 334.807 3.432 20 5 EGBDHN C[C@H](CO)CNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000237388894 455180980 /nfs/dbraw/zinc/18/09/80/455180980.db2.gz DZXHONZZMWJJBZ-LBPRGKRZSA-N 0 3 334.347 3.244 20 5 EGBDHN COc1cc(CN[C@@H](C)[C@H]2COc3ccccc32)c([N+](=O)[O-])cc1F ZINC000184408802 455377366 /nfs/dbraw/zinc/37/73/66/455377366.db2.gz XSISGYNQXSQQPO-SMDDNHRTSA-N 0 3 346.358 3.397 20 5 EGBDHN C[C@H]1CN(C)CC[C@H]1N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000265939254 455411089 /nfs/dbraw/zinc/41/10/89/455411089.db2.gz HEJSGGQECJSEDU-XJKSGUPXSA-N 0 3 347.459 3.305 20 5 EGBDHN C[C@@H](c1cccs1)N(C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182222613 455464481 /nfs/dbraw/zinc/46/44/81/455464481.db2.gz PDMGTAMGFGKNCL-STQMWFEESA-N 0 3 336.413 3.089 20 5 EGBDHN Cc1ccc(C[C@@H](CO)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000191582148 455499903 /nfs/dbraw/zinc/49/99/03/455499903.db2.gz ZPKBXSBATZCMPT-QAPCUYQASA-N 0 3 328.412 3.466 20 5 EGBDHN Cc1ccc(C[C@H](CO)N[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000191585207 455501029 /nfs/dbraw/zinc/50/10/29/455501029.db2.gz QBJGNLJZEVSURS-NVXWUHKLSA-N 0 3 328.412 3.466 20 5 EGBDHN C[C@H](O)[C@@](C)(CNCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000191711881 455511610 /nfs/dbraw/zinc/51/16/10/455511610.db2.gz RAXNKPOYHDYZGM-HNAYVOBHSA-N 0 3 328.412 3.314 20 5 EGBDHN CCCC[C@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000191828738 455523714 /nfs/dbraw/zinc/52/37/14/455523714.db2.gz CAWMPQYYTLRYOG-ZFWWWQNUSA-N 0 3 349.431 3.490 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1 ZINC000268231454 455625163 /nfs/dbraw/zinc/62/51/63/455625163.db2.gz FCDRUUSQXDQATC-RHSMWYFYSA-N 0 3 346.383 3.155 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCN1Cc1ccccc1 ZINC000192597277 455649679 /nfs/dbraw/zinc/64/96/79/455649679.db2.gz OMCNLVRBWAJCJN-MRXNPFEDSA-N 0 3 343.431 3.196 20 5 EGBDHN C[C@H]1CN(CCCNc2ccc3cc([N+](=O)[O-])ccc3n2)CCCO1 ZINC000277813028 455674293 /nfs/dbraw/zinc/67/42/93/455674293.db2.gz YJKUWSZJGUREHY-AWEZNQCLSA-N 0 3 344.415 3.056 20 5 EGBDHN O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[C@@H]1c1ccccc1 ZINC000248373579 455708581 /nfs/dbraw/zinc/70/85/81/455708581.db2.gz JWDBVEKXIAFROJ-IAGOWNOFSA-N 0 3 342.395 3.172 20 5 EGBDHN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000278024898 455736514 /nfs/dbraw/zinc/73/65/14/455736514.db2.gz WQUSDWKFWJDGPB-DZGCQCFKSA-N 0 3 349.431 3.330 20 5 EGBDHN COC[C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)OC ZINC000272632592 456019602 /nfs/dbraw/zinc/01/96/02/456019602.db2.gz BGEZOEIEGPEMNM-GFCCVEGCSA-N 0 3 336.413 3.074 20 5 EGBDHN C[S@@](=O)C1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000280712031 456036313 /nfs/dbraw/zinc/03/63/13/456036313.db2.gz UEKLDFUQDVNHSJ-XMMPIXPASA-N 0 3 348.424 3.246 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCCC3)CC2)cc1OC(F)F ZINC000301381221 456104545 /nfs/dbraw/zinc/10/45/45/456104545.db2.gz ZEESBLIFYYBFRM-UHFFFAOYSA-N 0 3 341.358 3.261 20 5 EGBDHN C[C@H](N[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000297232668 456158163 /nfs/dbraw/zinc/15/81/63/456158163.db2.gz HYRJDCMRAVFELV-DANNLKNASA-N 0 3 347.415 3.111 20 5 EGBDHN CCN(C)C(=O)[C@H](C)NCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000188896846 456163946 /nfs/dbraw/zinc/16/39/46/456163946.db2.gz WOTTWSOSPMOCOH-LBPRGKRZSA-N 0 3 347.440 3.280 20 5 EGBDHN Cc1ccc(NCc2ccccc2CN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000273065923 456165671 /nfs/dbraw/zinc/16/56/71/456165671.db2.gz DSBMGXZLIZXVGK-KRWDZBQOSA-N 0 3 341.411 3.082 20 5 EGBDHN Cc1nc(NC[C@@H]2CCCN2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301667262 456178643 /nfs/dbraw/zinc/17/86/43/456178643.db2.gz OWBZGGFCUJDOLF-INIZCTEOSA-N 0 3 326.400 3.375 20 5 EGBDHN CN(C)c1cccnc1CN[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000289922533 456181401 /nfs/dbraw/zinc/18/14/01/456181401.db2.gz UYUMDXBOQSLSDW-INIZCTEOSA-N 0 3 340.427 3.167 20 5 EGBDHN CCN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000289978595 456203682 /nfs/dbraw/zinc/20/36/82/456203682.db2.gz XNWFLUGEUCKSLM-AWEZNQCLSA-N 0 3 337.376 3.283 20 5 EGBDHN CCOC(=O)[C@H]1CCCN(c2cc(C)nc3ccc([N+](=O)[O-])cc32)C1 ZINC000302094751 456286425 /nfs/dbraw/zinc/28/64/25/456286425.db2.gz RKUQZKLKXRXSCR-ZDUSSCGKSA-N 0 3 343.383 3.231 20 5 EGBDHN CC(=O)NCC[C@H]1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000347666308 456290857 /nfs/dbraw/zinc/29/08/57/456290857.db2.gz RYCNZZSXBVMJIH-GOEBONIOSA-N 0 3 333.432 3.202 20 5 EGBDHN CN(C)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000347731055 456335433 /nfs/dbraw/zinc/33/54/33/456335433.db2.gz CCYYQQOGWHPVOX-UHFFFAOYSA-N 0 3 334.807 3.211 20 5 EGBDHN Cc1cnc(N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000310382808 456582146 /nfs/dbraw/zinc/58/21/46/456582146.db2.gz PSWOTHKOYSNLPG-HOCLYGCPSA-N 0 3 326.400 3.373 20 5 EGBDHN CCCN(CCN(C)C)C(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000340629605 456583524 /nfs/dbraw/zinc/58/35/24/456583524.db2.gz ZHQVISNWCJJQFT-UHFFFAOYSA-N 0 3 347.337 3.027 20 5 EGBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000353264631 456597099 /nfs/dbraw/zinc/59/70/99/456597099.db2.gz VPNBCWYXDGZRJH-LBPRGKRZSA-N 0 3 326.356 3.201 20 5 EGBDHN CN(C)[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291462935 456650567 /nfs/dbraw/zinc/65/05/67/456650567.db2.gz IIMUMJUDUYGHCD-SNVBAGLBSA-N 0 3 346.214 3.068 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(CC(C)C)C2CCN(C)CC2)c1 ZINC000291587627 456687337 /nfs/dbraw/zinc/68/73/37/456687337.db2.gz KYAZTDQYRHYFES-UHFFFAOYSA-N 0 3 333.432 3.096 20 5 EGBDHN CN(Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000343605193 456738500 /nfs/dbraw/zinc/73/85/00/456738500.db2.gz IRGLFBXBVYEHSN-UHFFFAOYSA-N 0 3 348.406 3.464 20 5 EGBDHN C[C@@H](c1cccnc1)N(C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000299730561 456776772 /nfs/dbraw/zinc/77/67/72/456776772.db2.gz WVVKHIJQBRWAEW-ZDUSSCGKSA-N 0 3 328.372 3.011 20 5 EGBDHN COCCN1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301101878 456796986 /nfs/dbraw/zinc/79/69/86/456796986.db2.gz IETHRVNRXUMOTG-UHFFFAOYSA-N 0 3 347.337 3.136 20 5 EGBDHN CCN(Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)C[C@@H](C)O ZINC000348710634 456824120 /nfs/dbraw/zinc/82/41/20/456824120.db2.gz PBACOOCCHACWAP-GFCCVEGCSA-N 0 3 334.372 3.066 20 5 EGBDHN O=[N+]([O-])c1cccnc1NCC1(N2CCSCC2)CCCCC1 ZINC000301233293 456829633 /nfs/dbraw/zinc/82/96/33/456829633.db2.gz KMQFWXPRBYPAOG-UHFFFAOYSA-N 0 3 336.461 3.153 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3cccc4cc[nH]c43)C2)nc1 ZINC000353717328 456869254 /nfs/dbraw/zinc/86/92/54/456869254.db2.gz MQLRIWYSMXKDRU-OAHLLOKOSA-N 0 3 337.383 3.158 20 5 EGBDHN CN(C)CCN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000349298303 456935761 /nfs/dbraw/zinc/93/57/61/456935761.db2.gz 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CCN(Cn1cc([N+](=O)[O-])cn1)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000743399439 576808465 /nfs/dbraw/zinc/80/84/65/576808465.db2.gz LPSYHJYRKBTOLT-QGZVFWFLSA-N 0 3 334.395 3.477 20 5 EGBDHN CN(C)CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000743637281 576813820 /nfs/dbraw/zinc/81/38/20/576813820.db2.gz LPZAOZUVMBUCKW-RAXLEYEMSA-N 0 3 345.443 3.331 20 5 EGBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCCN(Cc2ccccc2)CC1 ZINC000047540707 1291578534 /nfs/dbraw/zinc/57/85/34/1291578534.db2.gz ANVBEBXAFRKNLU-UHFFFAOYSA-N 0 3 343.402 3.442 20 5 EGBDHN CN(CC1CCCCC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054448775 1291752654 /nfs/dbraw/zinc/75/26/54/1291752654.db2.gz CJALUTQBCRAARN-UHFFFAOYSA-N 0 3 329.404 3.323 20 5 EGBDHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828698063 1292491537 /nfs/dbraw/zinc/49/15/37/1292491537.db2.gz AECTXDQNEFBTKG-QGZVFWFLSA-N 0 3 349.475 3.095 20 5 EGBDHN C[C@@H]1CCC[C@@H](C)N(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000172919211 1294449149 /nfs/dbraw/zinc/44/91/49/1294449149.db2.gz ANWBMURXUYXREV-ZIAGYGMSSA-N 0 3 329.404 3.321 20 5 EGBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179495848 1294798617 /nfs/dbraw/zinc/79/86/17/1294798617.db2.gz GOXWTGCEYHKDJV-LBPRGKRZSA-N 0 3 345.378 3.109 20 5 EGBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179495848 1294798622 /nfs/dbraw/zinc/79/86/22/1294798622.db2.gz GOXWTGCEYHKDJV-LBPRGKRZSA-N 0 3 345.378 3.109 20 5 EGBDHN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255141149 1296503481 /nfs/dbraw/zinc/50/34/81/1296503481.db2.gz UYTQJXOFCUXXSX-GDAGCXPBSA-N 0 3 349.431 3.453 20 5 EGBDHN Cc1c(CNC[C@@H](c2ccco2)N2CCCC2)cccc1[N+](=O)[O-] ZINC000873007630 1297220397 /nfs/dbraw/zinc/22/03/97/1297220397.db2.gz XMVJGPZDHCIGAC-KRWDZBQOSA-N 0 3 329.400 3.423 20 5 EGBDHN Cc1nn(CN(C)CCCc2ccccc2)c2ncc([N+](=O)[O-])cc12 ZINC000749940242 1299306321 /nfs/dbraw/zinc/30/63/21/1299306321.db2.gz YHJNDLNDVXCGPR-UHFFFAOYSA-N 0 3 339.399 3.170 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H]2c2ccc(O)cc2)c1 ZINC000750096921 1299337730 /nfs/dbraw/zinc/33/77/30/1299337730.db2.gz SLNUQXZBTGISEW-ROUUACIJSA-N 0 3 328.368 3.171 20 5 EGBDHN CC[C@](C)(NCC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000775390315 1303954031 /nfs/dbraw/zinc/95/40/31/1303954031.db2.gz LFYOTHUAVJDJMJ-IBGZPJMESA-N 0 3 341.411 3.473 20 5 EGBDHN COC(=O)[C@H]1CCCC[C@@]1(C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000775992781 1304075977 /nfs/dbraw/zinc/07/59/77/1304075977.db2.gz LKQHIRVJQQIORO-CZUORRHYSA-N 0 3 340.807 3.460 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](O)CN2CCCO[C@H](c3ccccc3)C2)cc1 ZINC000776276531 1304126757 /nfs/dbraw/zinc/12/67/57/1304126757.db2.gz JKGXURMZQPSJGK-MOPGFXCFSA-N 0 3 342.395 3.092 20 5 EGBDHN C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638445 1305989061 /nfs/dbraw/zinc/98/90/61/1305989061.db2.gz GWIXQZFBPPCTAF-CYBMUJFWSA-N 0 3 337.383 3.214 20 5 EGBDHN CCC[C@@]1(COC)CCCN1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894077920 1306204693 /nfs/dbraw/zinc/20/46/93/1306204693.db2.gz XGXVBKMTUZKIEN-KRWDZBQOSA-N 0 3 338.404 3.090 20 5 EGBDHN COCCN(Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H](C)C1 ZINC000790475794 1306331997 /nfs/dbraw/zinc/33/19/97/1306331997.db2.gz BTCFLJZQPWHCAQ-UKRRQHHQSA-N 0 3 332.404 3.039 20 5 EGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000791063786 1308919252 /nfs/dbraw/zinc/91/92/52/1308919252.db2.gz YCSJAVCVAAOJKL-ZDUSSCGKSA-N 0 3 339.823 3.098 20 5 EGBDHN CN(CCCN(C)c1c(F)cc([N+](=O)[O-])cc1F)Cc1ccco1 ZINC000804841251 1317291972 /nfs/dbraw/zinc/29/19/72/1317291972.db2.gz RLTAJRSNKDMYHK-UHFFFAOYSA-N 0 3 339.342 3.424 20 5 EGBDHN Cc1cscc1C(=O)N[C@H]1C[C@H](NCc2ccccc2[N+](=O)[O-])C1 ZINC001020057661 1317523248 /nfs/dbraw/zinc/52/32/48/1317523248.db2.gz FBDPJERXKYIQKJ-HDJSIYSDSA-N 0 3 345.424 3.015 20 5 EGBDHN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903114062 1317656000 /nfs/dbraw/zinc/65/60/00/1317656000.db2.gz STBSXSYYWBPWKH-GFCCVEGCSA-N 0 3 335.404 3.130 20 5 EGBDHN CC(COC(=O)c1cnc(-c2ccccc2Cl)s1)[N+](=O)[O-] ZINC000813108920 1318501310 /nfs/dbraw/zinc/50/13/10/1318501310.db2.gz MMWPDXSGJZTUSQ-MRVPVSSYSA-N 0 3 326.761 3.286 20 5 EGBDHN O=C(N[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1CCCCCC1 ZINC001021889190 1318722273 /nfs/dbraw/zinc/72/22/73/1318722273.db2.gz FYBFJBDSQGZWDO-CALCHBBNSA-N 0 3 345.443 3.302 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CCCCC2)cc1Cl ZINC000836367623 1320479164 /nfs/dbraw/zinc/47/91/64/1320479164.db2.gz QULSACOSZHUACV-LBPRGKRZSA-N 0 3 339.823 3.161 20 5 EGBDHN CO[C@H](CC(C)C)C(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845876436 1321748525 /nfs/dbraw/zinc/74/85/25/1321748525.db2.gz FORJXTOJYVLVGG-DFBGVHRSSA-N 0 3 327.352 3.136 20 5 EGBDHN CC([C@@H](OC(=O)COC1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845878686 1321749525 /nfs/dbraw/zinc/74/95/25/1321749525.db2.gz VOGZTAVJJBPUTA-SJKOYZFVSA-N 0 3 339.363 3.425 20 5 EGBDHN CCc1cncc(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845877050 1321749532 /nfs/dbraw/zinc/74/95/32/1321749532.db2.gz DPQVMIICGFYRKU-BZNIZROVSA-N 0 3 332.331 3.346 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H](O)c1c(F)cccc1F ZINC000848532506 1321971223 /nfs/dbraw/zinc/97/12/23/1321971223.db2.gz AWWBFCOKFDRCID-HOCLYGCPSA-N 0 3 334.322 3.184 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@](C)(O)c1ccc(F)cc1 ZINC000850450235 1322251266 /nfs/dbraw/zinc/25/12/66/1322251266.db2.gz ZLUCKQDPQZHXAG-XIKOKIGWSA-N 0 3 348.374 3.301 20 5 EGBDHN COc1ccc(CN[C@@H](C)C2(Br)CC2)cc1[N+](=O)[O-] ZINC000924843325 1323183723 /nfs/dbraw/zinc/18/37/23/1323183723.db2.gz ZBKMTMRFHDLTAN-VIFPVBQESA-N 0 3 329.194 3.009 20 5 EGBDHN CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000925307924 1325119842 /nfs/dbraw/zinc/11/98/42/1325119842.db2.gz OWQVLLMGJPWLDK-KZULUSFZSA-N 0 3 345.374 3.089 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(NCC2CCN(Cc3ccncc3)CC2)n1 ZINC000853810739 1325166208 /nfs/dbraw/zinc/16/62/08/1325166208.db2.gz HCIPYDHDBXJSKH-UHFFFAOYSA-N 0 3 341.415 3.017 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)Cc1cccnc1 ZINC000934234101 1329957407 /nfs/dbraw/zinc/95/74/07/1329957407.db2.gz JMSSOXZRIIQZME-AWEZNQCLSA-N 0 3 329.400 3.498 20 5 EGBDHN CC(COC(=O)c1csc(Cc2ccc(Cl)cc2)n1)[N+](=O)[O-] ZINC001122967987 1372349949 /nfs/dbraw/zinc/34/99/49/1372349949.db2.gz HXCFVOQPYHPKSM-SECBINFHSA-N 0 3 340.788 3.209 20 5 EGBDHN Cc1ncc(-c2nc(-c3ccc(CN(C)C)cc3)no2)cc1[N+](=O)[O-] ZINC001213212302 1372861897 /nfs/dbraw/zinc/86/18/97/1372861897.db2.gz NOYSKGMLXLZWOH-UHFFFAOYSA-N 0 3 339.355 3.077 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3CC[C@@H]4NCCO[C@@H]34)cc2)c1 ZINC001218127819 1373566308 /nfs/dbraw/zinc/56/63/08/1373566308.db2.gz DOJDDJUDAOHKDP-IPMKNSEASA-N 0 3 340.379 3.160 20 5 EGBDHN Cc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2CN[C@H]2C)c1Br ZINC001218386000 1373604399 /nfs/dbraw/zinc/60/43/99/1373604399.db2.gz JMAMNSIROWJMER-IMTBSYHQSA-N 0 3 335.585 3.058 20 5 EGBDHN Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CC[C@H](N2CCOCC2)CC1 ZINC001228572115 1375601410 /nfs/dbraw/zinc/60/14/10/1375601410.db2.gz XBOKXWDIUWEWKT-JCNLHEQBSA-N 0 3 334.416 3.234 20 5 EGBDHN O=[N+]([O-])c1ccncc1O[C@H]1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2 ZINC001228882061 1375704737 /nfs/dbraw/zinc/70/47/37/1375704737.db2.gz LJRDAKBBZRAXKJ-MNZLEMJZSA-N 0 3 339.395 3.279 20 5 EGBDHN CCC(=O)c1cc([N+](=O)[O-])ccc1O[C@H]1[C@@H]2CCC[C@H]1CN(C)C2 ZINC001229179617 1375782173 /nfs/dbraw/zinc/78/21/73/1375782173.db2.gz NRJAMFFLFKJGHL-MCBXIFIFSA-N 0 3 332.400 3.297 20 5 EGBDHN CCc1cc(C(=O)NCCNCc2cccc([N+](=O)[O-])c2)sc1C ZINC001150386962 1379544421 /nfs/dbraw/zinc/54/44/21/1379544421.db2.gz BURLYLCTZNMNOF-UHFFFAOYSA-N 0 3 347.440 3.047 20 5 EGBDHN O=C(NCCCNCc1csc([N+](=O)[O-])c1)C(F)=C1CCCC1 ZINC001156540772 1380591034 /nfs/dbraw/zinc/59/10/34/1380591034.db2.gz IJXUISHIPWEZPP-UHFFFAOYSA-N 0 3 341.408 3.050 20 5 EGBDHN Cc1cc(N2CCCc3ccc(CN)nc32)nc2ccc([N+](=O)[O-])cc12 ZINC001158649945 1381337627 /nfs/dbraw/zinc/33/76/27/1381337627.db2.gz SHHZNJZTTXENTC-UHFFFAOYSA-N 0 3 349.394 3.389 20 5 EGBDHN Cc1cc(Cl)nc(N2C[C@H]3c4ccccc4CN[C@@H]3C2)c1[N+](=O)[O-] ZINC001165349920 1383279927 /nfs/dbraw/zinc/27/99/27/1383279927.db2.gz JQLZTLDHWZHGOX-UONOGXRCSA-N 0 3 344.802 3.027 20 5 EGBDHN NCc1nn(-c2cc(C(F)(F)F)ccc2[N+](=O)[O-])c2ccccc12 ZINC001167698313 1383714154 /nfs/dbraw/zinc/71/41/54/1383714154.db2.gz YFOLOKODCCUIBM-UHFFFAOYSA-N 0 3 336.273 3.411 20 5 EGBDHN O=[N+]([O-])c1cc2c(cc1N[C@@H]1C[C@H]1c1ccc(F)c(F)c1)CNC2 ZINC001168067020 1383809202 /nfs/dbraw/zinc/80/92/02/1383809202.db2.gz FBIVTMUMCIVENV-SWLSCSKDSA-N 0 3 331.322 3.444 20 5 EGBDHN CCOC(=O)C1=C(Nc2cc3c(cc2[N+](=O)[O-])CNC3)CCCC1 ZINC001168561299 1383936547 /nfs/dbraw/zinc/93/65/47/1383936547.db2.gz GQGAHMPZSZBLPK-UHFFFAOYSA-N 0 3 331.372 3.001 20 5 EGBDHN CCOc1ccnc(CN[C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC001170324193 1384291124 /nfs/dbraw/zinc/29/11/24/1384291124.db2.gz PVULPPSCEFWZPL-CYBMUJFWSA-N 0 3 345.399 3.118 20 5 EGBDHN COc1ccc(C[C@@H](C)N2CC[C@@]3(CC3(F)F)C2)c([N+](=O)[O-])c1 ZINC001170345462 1384296066 /nfs/dbraw/zinc/29/60/66/1384296066.db2.gz LATIZESUNDFNRL-IAQYHMDHSA-N 0 3 326.343 3.266 20 5 EGBDHN CCCCCN1CCN([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC001170344349 1384296185 /nfs/dbraw/zinc/29/61/85/1384296185.db2.gz AYBQGBXKJZUQDN-MRXNPFEDSA-N 0 3 349.475 3.342 20 5 EGBDHN C[C@@H](Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CNCCO1 ZINC001170569057 1384344227 /nfs/dbraw/zinc/34/42/27/1384344227.db2.gz HWALHFRLLYSQJH-ACJLOTCBSA-N 0 3 327.384 3.051 20 5 EGBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001173223050 1384939247 /nfs/dbraw/zinc/93/92/47/1384939247.db2.gz WWHODNKFHFHYGS-ZOWXZIJZSA-N 0 3 346.349 3.161 20 5 EGBDHN CCCC(=O)NCCCCCCNCc1csc([N+](=O)[O-])c1 ZINC001177754559 1386035119 /nfs/dbraw/zinc/03/51/19/1386035119.db2.gz PTTUURPLWUXAJX-UHFFFAOYSA-N 0 3 327.450 3.223 20 5 EGBDHN COC(=O)[C@H]1CCC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001321867247 1387000109 /nfs/dbraw/zinc/00/01/09/1387000109.db2.gz KFXBVIRNXMRJJH-JKSUJKDBSA-N 0 3 344.367 3.286 20 5 EGBDHN O=C(CCNCc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 ZINC001336714792 1389143660 /nfs/dbraw/zinc/14/36/60/1389143660.db2.gz ZHGUXSLFVOFGPA-UHFFFAOYSA-N 0 3 333.775 3.367 20 5 EGBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000351508910 719253191 /nfs/dbraw/zinc/25/31/91/719253191.db2.gz JIZDXYCYPBDLOS-UONOGXRCSA-N 0 3 326.400 3.186 20 5 EGBDHN Cc1cccc(C[C@H](CO)NCc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000786166072 1126110091 /nfs/dbraw/zinc/11/00/91/1126110091.db2.gz UBFSLTGGFSPPLT-MRXNPFEDSA-N 0 3 334.803 3.250 20 5 EGBDHN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000072086682 216006440 /nfs/dbraw/zinc/00/64/40/216006440.db2.gz UOQZJXFEBBJOSK-INIZCTEOSA-N 0 3 339.395 3.446 20 5 EGBDHN Nc1ccc([N+](=O)[O-])c(NC[C@H](c2cccs2)N2CCCC2)c1 ZINC000193375322 240135551 /nfs/dbraw/zinc/13/55/51/240135551.db2.gz DGMNDUMMJFXQAQ-OAHLLOKOSA-N 0 3 332.429 3.488 20 5 EGBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC000123009907 296150659 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EGBDHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000350485743 141249089 /nfs/dbraw/zinc/24/90/89/141249089.db2.gz ZJSQUUKVRZLPMN-GOEBONIOSA-N 0 3 339.395 3.160 20 5 EGBDHN CC[C@H](C)N[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000353348551 141292748 /nfs/dbraw/zinc/29/27/48/141292748.db2.gz HPCBQDZCBUFPHX-SWLSCSKDSA-N 0 3 346.387 3.439 20 5 EGBDHN O=[N+]([O-])c1ccn(CCNC2(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000357925654 141359126 /nfs/dbraw/zinc/35/91/26/141359126.db2.gz GWRMJBWISLMHJG-UHFFFAOYSA-N 0 3 340.305 3.089 20 5 EGBDHN C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000185941795 144122438 /nfs/dbraw/zinc/12/24/38/144122438.db2.gz WDKXURKCUGKSDV-CXAGYDPISA-N 0 3 342.399 3.408 20 5 EGBDHN CC[C@H]1CCCCN1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351617823 144288401 /nfs/dbraw/zinc/28/84/01/144288401.db2.gz CTZPTHSRQBHHMA-LBPRGKRZSA-N 0 3 338.383 3.120 20 5 EGBDHN CCOc1ccc(NC(=O)CN(CC2CC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000361587168 144332860 /nfs/dbraw/zinc/33/28/60/144332860.db2.gz VFEZWHDWCKQZPX-UHFFFAOYSA-N 0 3 347.415 3.197 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CCSc3ccccc3)C2)nc1 ZINC000118866086 152158790 /nfs/dbraw/zinc/15/87/90/152158790.db2.gz QQCJZKBWASLQLR-AWEZNQCLSA-N 0 3 344.440 3.268 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](c2nccn2C)C1 ZINC000349155598 156368546 /nfs/dbraw/zinc/36/85/46/156368546.db2.gz WBVXVLYRAKDHSO-SCOADAFUSA-N 0 3 326.400 3.221 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CCC2(CCOCC2)[C@H]1C ZINC000368813768 157296383 /nfs/dbraw/zinc/29/63/83/157296383.db2.gz KKWMWSXWFDVUNU-CQSZACIVSA-N 0 3 334.416 3.385 20 5 EGBDHN COC[C@H](C)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000338710467 163326935 /nfs/dbraw/zinc/32/69/35/163326935.db2.gz IAOOSCHOWROUON-GFCCVEGCSA-N 0 3 334.372 3.236 20 5 EGBDHN O=[N+]([O-])c1ccccc1/C=C\CNCc1ccnc(N2CCCC2)c1 ZINC000338714629 163328910 /nfs/dbraw/zinc/32/89/10/163328910.db2.gz UKOQSFWYQYKICS-ALCCZGGFSA-N 0 3 338.411 3.393 20 5 EGBDHN COc1cccc(N(C)CCCN(C)Cc2ccco2)c1[N+](=O)[O-] ZINC000343805692 164039240 /nfs/dbraw/zinc/03/92/40/164039240.db2.gz IVMWYNGPPXBAEP-UHFFFAOYSA-N 0 3 333.388 3.155 20 5 EGBDHN COc1cc(CNC[C@H](SC)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000344337107 164160118 /nfs/dbraw/zinc/16/01/18/164160118.db2.gz TXECQWZFCCMTBE-HNNXBMFYSA-N 0 3 342.461 3.479 20 5 EGBDHN CC(C)(CNc1ccc([N+](=O)[O-])nc1)N1CCc2ccccc2C1 ZINC000355162887 166121073 /nfs/dbraw/zinc/12/10/73/166121073.db2.gz LBYJUGRQRPDATI-UHFFFAOYSA-N 0 3 326.400 3.239 20 5 EGBDHN CCc1nn(C)c(N[C@H]2CCN([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000359503717 167173831 /nfs/dbraw/zinc/17/38/31/167173831.db2.gz AFKIDWIAEZOFSO-HIFRSBDPSA-N 0 3 343.431 3.138 20 5 EGBDHN O=C(c1ccc([N+](=O)[O-])o1)N(CCN1CCCCCC1)C1CCC1 ZINC000359784558 167230595 /nfs/dbraw/zinc/23/05/95/167230595.db2.gz BZHYKLNKRRGEEQ-UHFFFAOYSA-N 0 3 335.404 3.059 20 5 EGBDHN C[C@@H](NC(=O)N(CCN(C)C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000176830347 265208653 /nfs/dbraw/zinc/20/86/53/265208653.db2.gz XIVWDJHLFYMQPI-CQSZACIVSA-N 0 3 348.447 3.172 20 5 EGBDHN CNCc1ccccc1NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000237181890 266226682 /nfs/dbraw/zinc/22/66/82/266226682.db2.gz BIHBHJFDWWPJKD-UHFFFAOYSA-N 0 3 340.383 3.141 20 5 EGBDHN CCO[C@@H]1C[C@H](N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000274245810 267205866 /nfs/dbraw/zinc/20/58/66/267205866.db2.gz RMLPXHMUMHKNRG-BVPBIZIASA-N 0 3 334.416 3.280 20 5 EGBDHN Cc1ccc([C@H](C)NCCc2cn3c(n2)SCC3)cc1[N+](=O)[O-] ZINC000274334460 267219078 /nfs/dbraw/zinc/21/90/78/267219078.db2.gz BRLPCYCXVKPJCR-LBPRGKRZSA-N 0 3 332.429 3.099 20 5 EGBDHN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(OCCN(C)C)c1 ZINC000151338172 274753639 /nfs/dbraw/zinc/75/36/39/274753639.db2.gz IJFFBUAAFSVLSO-UHFFFAOYSA-N 0 3 343.383 3.096 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245861155 275035118 /nfs/dbraw/zinc/03/51/18/275035118.db2.gz KVFFBHHWCBSJAE-IRXDYDNUSA-N 0 3 336.457 3.124 20 5 EGBDHN CCOc1ccc([C@@H](C)NCC2([C@@H](O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271919222 275241569 /nfs/dbraw/zinc/24/15/69/275241569.db2.gz ZPMDWKONPVVXTQ-DYVFJYSZSA-N 0 3 336.432 3.441 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C2CCOCC2)C[C@H]1C ZINC000278680398 275265100 /nfs/dbraw/zinc/26/51/00/275265100.db2.gz OSRSKPXSDDBSRH-HZPDHXFCSA-N 0 3 347.459 3.149 20 5 EGBDHN CC(C)(C)[C@@H]1C[C@H](NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000278714622 275268136 /nfs/dbraw/zinc/26/81/36/275268136.db2.gz OZUUYFMTYIMELX-HZMBPMFUSA-N 0 3 334.445 3.481 20 5 EGBDHN CC(C)c1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285762814 275909613 /nfs/dbraw/zinc/90/96/13/275909613.db2.gz KOVNJNLNNXLLPP-GDBMZVCRSA-N 0 3 345.443 3.417 20 5 EGBDHN CCC(=O)c1ccc(N2C[C@H](N3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286262754 275972156 /nfs/dbraw/zinc/97/21/56/275972156.db2.gz GUCGGSAOXIFKFH-DZGCQCFKSA-N 0 3 331.416 3.251 20 5 EGBDHN CCCn1nc(C)c(CN(C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000289377815 276330114 /nfs/dbraw/zinc/33/01/14/276330114.db2.gz MDPWMQOMHBCVRB-UHFFFAOYSA-N 0 3 330.432 3.493 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H](CO)C3CCCC3)cs2)c1 ZINC000289746609 276387415 /nfs/dbraw/zinc/38/74/15/276387415.db2.gz WEVLBKIWWLARDI-MRXNPFEDSA-N 0 3 347.440 3.359 20 5 EGBDHN Cc1ccc([C@H](C)N[C@H]2COc3ccccc3[C@H]2O)cc1[N+](=O)[O-] ZINC000290211339 276464487 /nfs/dbraw/zinc/46/44/87/276464487.db2.gz HHEGBGGCVXQLEG-XLWVJDPXSA-N 0 3 328.368 3.048 20 5 EGBDHN Cc1c([C@H](C)N[C@@H]2COc3ccccc3[C@H]2O)cccc1[N+](=O)[O-] ZINC000290531529 276507969 /nfs/dbraw/zinc/50/79/69/276507969.db2.gz ZKLUIWONDVMILQ-WBHUJUFNSA-N 0 3 328.368 3.048 20 5 EGBDHN CC(=O)c1ccc(N2CCC[C@H]2CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000160459351 278247135 /nfs/dbraw/zinc/24/71/35/278247135.db2.gz SUFWTHZTZAJXHF-INIZCTEOSA-N 0 3 331.416 3.252 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1cccs1)N1CCCC1 ZINC000195334623 281668632 /nfs/dbraw/zinc/66/86/32/281668632.db2.gz ONETWKLLABFQDS-ZDUSSCGKSA-N 0 3 349.460 3.430 20 5 EGBDHN C[C@H](NCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000155102126 307807520 /nfs/dbraw/zinc/80/75/20/307807520.db2.gz VCGIHIRJEVSSNS-AWEZNQCLSA-N 0 3 341.411 3.489 20 5 EGBDHN C[C@H]1CCC[C@]1(O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000293000001 308088922 /nfs/dbraw/zinc/08/89/22/308088922.db2.gz MZOMBFYEFNDDBT-SJCJKPOMSA-N 0 3 347.440 3.359 20 5 EGBDHN O=[N+]([O-])c1ccc(C(F)(F)F)c(CN[C@@H](CO)C2CCCC2)c1 ZINC000293469950 308133367 /nfs/dbraw/zinc/13/33/67/308133367.db2.gz DWMFRXQYMUXIEN-AWEZNQCLSA-N 0 3 332.322 3.254 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@H](CO)CC2)o1 ZINC000293978440 308179645 /nfs/dbraw/zinc/17/96/45/308179645.db2.gz KSRZYYZBQSLLBT-AWEZNQCLSA-N 0 3 330.384 3.449 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[C@@H](CO)CC2)o1 ZINC000293978445 308179659 /nfs/dbraw/zinc/17/96/59/308179659.db2.gz KSRZYYZBQSLLBT-CQSZACIVSA-N 0 3 330.384 3.449 20 5 EGBDHN COc1ccncc1CN[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000294095475 308189742 /nfs/dbraw/zinc/18/97/42/308189742.db2.gz JCGWSGRAAZLMDT-MRXNPFEDSA-N 0 3 327.384 3.109 20 5 EGBDHN CSc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C3CCC3)CC2)c1 ZINC000297160526 308505391 /nfs/dbraw/zinc/50/53/91/308505391.db2.gz MRUPJMIXUAOSIT-UHFFFAOYSA-N 0 3 349.456 3.063 20 5 EGBDHN Cc1ccc([C@@H](C)NC[C@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000297438219 308533960 /nfs/dbraw/zinc/53/39/60/308533960.db2.gz VXJLBJMXMVHGIO-CXAGYDPISA-N 0 3 332.375 3.297 20 5 EGBDHN COc1ccc(CNCc2ccc3c(c2)CCCN3)cc1[N+](=O)[O-] ZINC000414971735 309112289 /nfs/dbraw/zinc/11/22/89/309112289.db2.gz IYYXFSHGJHJODM-UHFFFAOYSA-N 0 3 327.384 3.251 20 5 EGBDHN Cc1ccc([C@@H](C)NCC(C)(C)C2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000417390652 309204171 /nfs/dbraw/zinc/20/41/71/309204171.db2.gz YZURJDPBKFRZGK-CQSZACIVSA-N 0 3 336.432 3.122 20 5 EGBDHN CC[C@@H](NC(=O)NC[C@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000417846332 309224874 /nfs/dbraw/zinc/22/48/74/309224874.db2.gz JEQCPAPSWQLXPN-DLBZAZTESA-N 0 3 342.399 3.045 20 5 EGBDHN C[C@@H]1C[C@@H](CO)CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000421363513 309320353 /nfs/dbraw/zinc/32/03/53/309320353.db2.gz PROIHXHNIVYBQR-ZIAGYGMSSA-N 0 3 330.384 3.305 20 5 EGBDHN CC[C@@H](C)CNCc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000421392628 309322475 /nfs/dbraw/zinc/32/24/75/309322475.db2.gz XVGQNMIFCKDFID-SNVBAGLBSA-N 0 3 332.347 3.383 20 5 EGBDHN CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@H]1CCCN1C ZINC000421414222 309323605 /nfs/dbraw/zinc/32/36/05/309323605.db2.gz YXIZVTSSFOKWTI-CQSZACIVSA-N 0 3 329.400 3.381 20 5 EGBDHN CCC1(CC)[C@H](NCc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000429316805 309578211 /nfs/dbraw/zinc/57/82/11/309578211.db2.gz XBQIEINMBJCCSS-CVEARBPZSA-N 0 3 340.395 3.426 20 5 EGBDHN CCC1(CC)[C@@H](NCc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@@H]1OC ZINC000429316806 309578349 /nfs/dbraw/zinc/57/83/49/309578349.db2.gz XBQIEINMBJCCSS-HOTGVXAUSA-N 0 3 340.395 3.426 20 5 EGBDHN CC(C)(CO)[C@H](NCCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000429704468 309587836 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EGBDHN CC(C)[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)[C@@H](CO)C(C)C ZINC000451602367 310188808 /nfs/dbraw/zinc/18/88/08/310188808.db2.gz VJSMTOVYYUBMSB-XJKSGUPXSA-N 0 3 330.375 3.252 20 5 EGBDHN Cc1c(NC(=O)CCN2CCSC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000451654526 310191540 /nfs/dbraw/zinc/19/15/40/310191540.db2.gz OOZATGLUDLXFGH-INIZCTEOSA-N 0 3 349.456 3.059 20 5 EGBDHN CC[C@@H](NC[C@H](O)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000453244893 310266505 /nfs/dbraw/zinc/26/65/05/310266505.db2.gz KJFKRUWYXVAQDT-QZTJIDSGSA-N 0 3 332.375 3.378 20 5 EGBDHN CNC(=O)C[C@@H](C)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000453376074 310273785 /nfs/dbraw/zinc/27/37/85/310273785.db2.gz PIMRFCIBSNDYOC-VXGBXAGGSA-N 0 3 347.440 3.499 20 5 EGBDHN Cc1ccc(C[C@H](CO)NC/C=C/c2ccccc2[N+](=O)[O-])cc1C ZINC000453627696 310285432 /nfs/dbraw/zinc/28/54/32/310285432.db2.gz MKZVTJQGHUBEQE-WSSFADSRSA-N 0 3 340.423 3.418 20 5 EGBDHN CSc1cccc(C(=O)NC2CCN(C3CCC3)CC2)c1[N+](=O)[O-] ZINC000456687217 310417973 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CCOC(=O)N1CCC([C@@H](C)NCc2csc([N+](=O)[O-])c2)CC1 ZINC000189371936 455186796 /nfs/dbraw/zinc/18/67/96/455186796.db2.gz OIOQUSDNAWETGD-LLVKDONJSA-N 0 3 341.433 3.003 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C(=O)N(CCN(C)C)c2ccccc2)c1 ZINC000172907793 455207863 /nfs/dbraw/zinc/20/78/63/455207863.db2.gz QHCRFJBMBFGVAR-UHFFFAOYSA-N 0 3 327.384 3.112 20 5 EGBDHN COc1cccc([C@H](CNc2cccc(OC)c2[N+](=O)[O-])N(C)C)c1 ZINC000181211553 455303205 /nfs/dbraw/zinc/30/32/05/455303205.db2.gz AEAWLLOLLFWMLJ-INIZCTEOSA-N 0 3 345.399 3.327 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000245518051 455319502 /nfs/dbraw/zinc/31/95/02/455319502.db2.gz HGQSIYDKQMKHSJ-HOTGVXAUSA-N 0 3 347.459 3.448 20 5 EGBDHN COc1cc(CN[C@](C)(CO)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184220747 455363089 /nfs/dbraw/zinc/36/30/89/455363089.db2.gz POPZDHWAJOOSJX-QGZVFWFLSA-N 0 3 340.395 3.163 20 5 EGBDHN Cc1ncc(CNCCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000174288636 455376282 /nfs/dbraw/zinc/37/62/82/455376282.db2.gz UACRZXHAHWRBJL-UHFFFAOYSA-N 0 3 336.395 3.421 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1 ZINC000246166721 455439847 /nfs/dbraw/zinc/43/98/47/455439847.db2.gz FNSUUDFJHAMQKN-OCCSQVGLSA-N 0 3 348.447 3.454 20 5 EGBDHN Cc1cccc(C[C@@H](CO)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000191599517 455501865 /nfs/dbraw/zinc/50/18/65/455501865.db2.gz SQIAVWQABOCPSN-QAPCUYQASA-N 0 3 328.412 3.466 20 5 EGBDHN CCCC[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000191828722 455524239 /nfs/dbraw/zinc/52/42/39/455524239.db2.gz CAWMPQYYTLRYOG-HIFRSBDPSA-N 0 3 349.431 3.490 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000182492601 455524809 /nfs/dbraw/zinc/52/48/09/455524809.db2.gz OSXXQLVMJNXVQZ-LXZKKBNFSA-N 0 3 331.416 3.352 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3ccnc4ccccc43)C2)nc1 ZINC000192154850 455565768 /nfs/dbraw/zinc/56/57/68/455565768.db2.gz QWBXDKAZLPIQLH-CYBMUJFWSA-N 0 3 335.367 3.229 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@H](C)C1CCCCC1 ZINC000182691128 455569741 /nfs/dbraw/zinc/56/97/41/455569741.db2.gz YTSQNSLYVQDPRM-LBPRGKRZSA-N 0 3 335.404 3.100 20 5 EGBDHN CC(=O)c1ccc(N2CCN(C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000292283238 455618037 /nfs/dbraw/zinc/61/80/37/455618037.db2.gz MLZHFCRIPYSCDY-CYBMUJFWSA-N 0 3 331.416 3.108 20 5 EGBDHN CN(C)CCN(CCCc1ccccc1)c1ncc([N+](=O)[O-])s1 ZINC000192481091 455628619 /nfs/dbraw/zinc/62/86/19/455628619.db2.gz FRACJAOMGGRPHA-UHFFFAOYSA-N 0 3 334.445 3.052 20 5 EGBDHN CN(C[C@@H]1CCCN(C)C1)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284050665 455628858 /nfs/dbraw/zinc/62/88/58/455628858.db2.gz PUBNGWJVFYOBMG-LLVKDONJSA-N 0 3 340.811 3.054 20 5 EGBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)c1ccc([S@](C)=O)cc1 ZINC000271777805 455755998 /nfs/dbraw/zinc/75/59/98/455755998.db2.gz GJXSHKGXHYMSFR-RZFZLAGVSA-N 0 3 348.424 3.062 20 5 EGBDHN CN(Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000186495026 455781913 /nfs/dbraw/zinc/78/19/13/455781913.db2.gz OHBFVDXDGBEHGO-UHFFFAOYSA-N 0 3 347.459 3.311 20 5 EGBDHN CCO[C@@H](CNCc1ccc(OC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000194466702 455846230 /nfs/dbraw/zinc/84/62/30/455846230.db2.gz UKFQBPXZFMONMQ-SFHVURJKSA-N 0 3 330.384 3.471 20 5 EGBDHN Cc1cccc(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)c1[N+](=O)[O-] ZINC000187185795 455878479 /nfs/dbraw/zinc/87/84/79/455878479.db2.gz BVGUPXZKDJLUFQ-RDTXWAMCSA-N 0 3 341.411 3.324 20 5 EGBDHN Cc1ccc(CN2CCNC[C@H]2c2cccc(F)c2)cc1[N+](=O)[O-] ZINC000261603319 455911606 /nfs/dbraw/zinc/91/16/06/455911606.db2.gz ARUQLPICDVESSZ-SFHVURJKSA-N 0 3 329.375 3.189 20 5 EGBDHN COC(=O)c1csc([C@@H](C)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000286141257 455985726 /nfs/dbraw/zinc/98/57/26/455985726.db2.gz OYOQUDCCJYBSEC-LLVKDONJSA-N 0 3 334.397 3.336 20 5 EGBDHN O=[N+]([O-])c1cccc([C@@H](O)CN2CC[C@H](COc3ccccc3)C2)c1 ZINC000272608454 456013147 /nfs/dbraw/zinc/01/31/47/456013147.db2.gz RZCGITCEJUEEQP-KXBFYZLASA-N 0 3 342.395 3.029 20 5 EGBDHN C[S@](=O)C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000280613452 456013232 /nfs/dbraw/zinc/01/32/32/456013232.db2.gz KIBYHOVLNXSESW-DEOSSOPVSA-N 0 3 348.424 3.246 20 5 EGBDHN CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccncc1 ZINC000271004731 456092928 /nfs/dbraw/zinc/09/29/28/456092928.db2.gz KZLQGGKJTWOAAR-UHFFFAOYSA-N 0 3 342.399 3.149 20 5 EGBDHN COc1cccc([C@H](CNc2ncc(C)cc2[N+](=O)[O-])N(C)C)c1 ZINC000301350037 456096480 /nfs/dbraw/zinc/09/64/80/456096480.db2.gz JOAHZLYZSBGDOZ-INIZCTEOSA-N 0 3 330.388 3.022 20 5 EGBDHN C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1=CCN(C)CC1 ZINC000273015351 456145397 /nfs/dbraw/zinc/14/53/97/456145397.db2.gz SQEHTGQOWGJUHV-JTQLQIEISA-N 0 3 327.331 3.259 20 5 EGBDHN Cc1ccccc1C[C@H](CO)NC/C=C/c1ccccc1[N+](=O)[O-] ZINC000188918642 456169892 /nfs/dbraw/zinc/16/98/92/456169892.db2.gz OSRAWIGZPOXSKB-WGLAMXGCSA-N 0 3 326.396 3.110 20 5 EGBDHN Cc1ccc([C@@H](CNc2ccc([N+](=O)[O-])c(C)n2)N2CCCC2)o1 ZINC000301641107 456171492 /nfs/dbraw/zinc/17/14/92/456171492.db2.gz MHDKDQODIBQSAX-OAHLLOKOSA-N 0 3 330.388 3.449 20 5 EGBDHN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@]2(C1)CCCN(C)C2 ZINC000297955648 456333176 /nfs/dbraw/zinc/33/31/76/456333176.db2.gz XNKCMJBNNBKKOS-SFHVURJKSA-N 0 3 346.431 3.161 20 5 EGBDHN CN(C)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccc(F)cc1 ZINC000302479498 456347881 /nfs/dbraw/zinc/34/78/81/456347881.db2.gz WBEPRMSIMAEXPA-QGZVFWFLSA-N 0 3 344.390 3.417 20 5 EGBDHN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1C ZINC000343069664 456384949 /nfs/dbraw/zinc/38/49/49/456384949.db2.gz ZCQVFNAHCCVXAG-NWDGAFQWSA-N 0 3 339.823 3.241 20 5 EGBDHN COC(=O)C[C@H](NCc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000347955773 456427608 /nfs/dbraw/zinc/42/76/08/456427608.db2.gz IXAOKUCWEYDSPQ-ZDUSSCGKSA-N 0 3 326.418 3.258 20 5 EGBDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000298744143 456529637 /nfs/dbraw/zinc/52/96/37/456529637.db2.gz MUGBOHSEFWATBJ-HNNXBMFYSA-N 0 3 345.424 3.223 20 5 EGBDHN O=[N+]([O-])c1ccc(Cl)cc1CN[C@@H](CO)Cc1ccc(F)cc1 ZINC000276685791 456550423 /nfs/dbraw/zinc/55/04/23/456550423.db2.gz JCYIHBHBBBGQHV-OAHLLOKOSA-N 0 3 338.766 3.081 20 5 EGBDHN Cc1cccc(NCCNc2cc(C)nc3ccc([N+](=O)[O-])cc32)n1 ZINC000340803433 456694463 /nfs/dbraw/zinc/69/44/63/456694463.db2.gz SDQGMEDYGXGHRB-UHFFFAOYSA-N 0 3 337.383 3.101 20 5 EGBDHN Cc1cc(C)cc(OC[C@H](O)CNCc2cccc([N+](=O)[O-])c2C)c1 ZINC000327594422 456707712 /nfs/dbraw/zinc/70/77/12/456707712.db2.gz GGFRCBDZWMHSPC-QGZVFWFLSA-N 0 3 344.411 3.050 20 5 EGBDHN C[C@@H](NC[C@H](c1ccccc1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283690494 456824452 /nfs/dbraw/zinc/82/44/52/456824452.db2.gz AEWAHQZWPBJEEY-FZKQIMNGSA-N 0 3 328.416 3.131 20 5 EGBDHN CO[C@@H]1CCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000341274838 456830338 /nfs/dbraw/zinc/83/03/38/456830338.db2.gz YCXDZIPCCBVQFK-GXFFZTMASA-N 0 3 330.331 3.101 20 5 EGBDHN Cc1ccc(CN(C)CCCN(C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000348811049 456866155 /nfs/dbraw/zinc/86/61/55/456866155.db2.gz AZEFKJXMJHKYST-UHFFFAOYSA-N 0 3 331.416 3.450 20 5 EGBDHN Cc1cc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000353770913 456899709 /nfs/dbraw/zinc/89/97/09/456899709.db2.gz VLBTWSSDDDPOEX-CQSZACIVSA-N 0 3 334.420 3.145 20 5 EGBDHN O=[N+]([O-])c1ccc(CN(C[C@H](O)Cc2ccc(F)cc2)C2CC2)cc1 ZINC000339059217 456920953 /nfs/dbraw/zinc/92/09/53/456920953.db2.gz HHKZOBDVLZKFLD-LJQANCHMSA-N 0 3 344.386 3.302 20 5 EGBDHN CN(C)CCc1ccccc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354190121 457120243 /nfs/dbraw/zinc/12/02/43/457120243.db2.gz NKOSAEZQCHDDCT-UHFFFAOYSA-N 0 3 331.347 3.090 20 5 EGBDHN Cc1c(CN[C@@H](C)CC(=O)N2CCCCCC2)cccc1[N+](=O)[O-] ZINC000331526635 457201402 /nfs/dbraw/zinc/20/14/02/457201402.db2.gz OIJXAGKEBYSSAJ-AWEZNQCLSA-N 0 3 333.432 3.174 20 5 EGBDHN CCN(Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1)[C@H](C)CO ZINC000354434206 457220191 /nfs/dbraw/zinc/22/01/91/457220191.db2.gz PJLYITXEPNWIOH-GFCCVEGCSA-N 0 3 334.372 3.066 20 5 EGBDHN Cc1ccc(C(=O)N[C@@H](C)CN(C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000342374150 457264879 /nfs/dbraw/zinc/26/48/79/457264879.db2.gz AQSDJJICEIIUEJ-HNNXBMFYSA-N 0 3 341.411 3.154 20 5 EGBDHN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000360961389 457469221 /nfs/dbraw/zinc/46/92/21/457469221.db2.gz QCJGQJJNBPWRDJ-XJKSGUPXSA-N 0 3 343.431 3.367 20 5 EGBDHN O=[N+]([O-])c1cnc(S[C@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000425287243 457482150 /nfs/dbraw/zinc/48/21/50/457482150.db2.gz VSTROMUEQJYWOY-HNNXBMFYSA-N 0 3 330.413 3.142 20 5 EGBDHN Cc1cc(NCc2ccn3ccnc3c2)c2cc([N+](=O)[O-])ccc2n1 ZINC000357412957 457507750 /nfs/dbraw/zinc/50/77/50/457507750.db2.gz BTDBCBYSNABGLK-UHFFFAOYSA-N 0 3 333.351 3.133 20 5 EGBDHN Cn1ccnc1[C@H](NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000342803382 457535455 /nfs/dbraw/zinc/53/54/55/457535455.db2.gz XWNXRSULFNYDBN-QGZVFWFLSA-N 0 3 328.416 3.392 20 5 EGBDHN CC1(C)C[C@@H](c2ccccc2)N(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000425537333 457589471 /nfs/dbraw/zinc/58/94/71/457589471.db2.gz GXSASDHNCWQFJU-KRWDZBQOSA-N 0 3 341.411 3.230 20 5 EGBDHN CCOc1ccc(NC(=O)CN(CC)CC2CCC2)c([N+](=O)[O-])c1 ZINC000361482221 457745227 /nfs/dbraw/zinc/74/52/27/457745227.db2.gz VYGPRJSAMTXGGT-UHFFFAOYSA-N 0 3 335.404 3.054 20 5 EGBDHN C[C@]1(CCc2ccccc2)CCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000434905882 458063870 /nfs/dbraw/zinc/06/38/70/458063870.db2.gz UJBLQAOLZQAHEP-SFHVURJKSA-N 0 3 328.416 3.136 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412054414 458070797 /nfs/dbraw/zinc/07/07/97/458070797.db2.gz IIECMCJKCBBNCE-JKSUJKDBSA-N 0 3 345.443 3.441 20 5 EGBDHN CC(C)(C)O[C@@H]1C[C@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(C)C ZINC000412080519 458083002 /nfs/dbraw/zinc/08/30/02/458083002.db2.gz RCWJKEOUXXUPTH-LSDHHAIUSA-N 0 3 349.431 3.105 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H](CO)CC(F)F)s1 ZINC000428645988 458182659 /nfs/dbraw/zinc/18/26/59/458182659.db2.gz DQOIRPLEAJNBGS-JTQLQIEISA-N 0 3 342.367 3.429 20 5 EGBDHN C[C@@H]1C[C@H]1N1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000429014886 458256447 /nfs/dbraw/zinc/25/64/47/458256447.db2.gz ZGWSKGZUQXOWCD-PSTGCABASA-N 0 3 339.386 3.035 20 5 EGBDHN CCOc1ccccc1CN[C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529327 458305185 /nfs/dbraw/zinc/30/51/85/458305185.db2.gz LQXGOZJEFGZFBM-JKSUJKDBSA-N 0 3 344.415 3.464 20 5 EGBDHN CCC1(CC)[C@H](NCC(=O)Nc2c(C)cccc2[N+](=O)[O-])C[C@H]1OC ZINC000429288519 458308153 /nfs/dbraw/zinc/30/81/53/458308153.db2.gz WJAWVXFSPQNOHE-HUUCEWRRSA-N 0 3 349.431 3.025 20 5 EGBDHN C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CCN(C2CCC2)C1 ZINC000429391683 458327725 /nfs/dbraw/zinc/32/77/25/458327725.db2.gz DLKXSBKOVYOXDS-ZDUSSCGKSA-N 0 3 344.415 3.042 20 5 EGBDHN CC(C)OC1CC(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000459357599 458342358 /nfs/dbraw/zinc/34/23/58/458342358.db2.gz PDQCKBAHRGGPDB-UHFFFAOYSA-N 0 3 334.416 3.394 20 5 EGBDHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429799803 458372838 /nfs/dbraw/zinc/37/28/38/458372838.db2.gz GPZWAYOIVPKNMZ-GJZGRUSLSA-N 0 3 347.459 3.109 20 5 EGBDHN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCN1C1CCCC1 ZINC000373010699 458375139 /nfs/dbraw/zinc/37/51/39/458375139.db2.gz CYDHSMPWEUJZOB-KRWDZBQOSA-N 0 3 331.416 3.008 20 5 EGBDHN COc1ccc2c(c1)CCN(Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000430214472 458423294 /nfs/dbraw/zinc/42/32/94/458423294.db2.gz ZKDASJFDCIPHRX-UHFFFAOYSA-N 0 3 342.395 3.213 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1CN[C@H](C)CCCc1cccnc1 ZINC000459641556 458432956 /nfs/dbraw/zinc/43/29/56/458432956.db2.gz RFAPZIMQXMRRMC-CQSZACIVSA-N 0 3 329.400 3.499 20 5 EGBDHN C[C@@H]1C[C@H](c2cccnc2)N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000373582946 458541355 /nfs/dbraw/zinc/54/13/55/458541355.db2.gz LVYDKMXKUGJKGS-XWIAVFTESA-N 0 3 327.384 3.106 20 5 EGBDHN C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000493915065 458599655 /nfs/dbraw/zinc/59/96/55/458599655.db2.gz RFRMTCXWTQRSKQ-HIFRSBDPSA-N 0 3 349.431 3.330 20 5 EGBDHN CCCCN1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000502448030 458649989 /nfs/dbraw/zinc/64/99/89/458649989.db2.gz VQRDCHVRTNXBGE-INIZCTEOSA-N 0 3 333.432 3.288 20 5 EGBDHN C[C@@H]1CN(CCCNc2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000432141825 458688914 /nfs/dbraw/zinc/68/89/14/458688914.db2.gz XLJJCSJZUQHTHV-GFCCVEGCSA-N 0 3 327.812 3.161 20 5 EGBDHN CC(C)c1ccc(C(=O)N[C@@H]2CCCN(C(C)C)C2)cc1[N+](=O)[O-] ZINC000439728726 458746011 /nfs/dbraw/zinc/74/60/11/458746011.db2.gz HYSQDWXLVJOYTI-OAHLLOKOSA-N 0 3 333.432 3.321 20 5 EGBDHN CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C1CC1)C(C)(C)CO ZINC000555735800 458908159 /nfs/dbraw/zinc/90/81/59/458908159.db2.gz XDJHCENRHKSWEG-KRWDZBQOSA-N 0 3 336.432 3.269 20 5 EGBDHN CC(C)n1cc(C2=CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)nn1 ZINC000556165138 458933667 /nfs/dbraw/zinc/93/36/67/458933667.db2.gz ZMXJGNDYMHUAFF-UHFFFAOYSA-N 0 3 341.415 3.447 20 5 EGBDHN CCC(C)(C)[C@H]1CCCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000441642314 458965743 /nfs/dbraw/zinc/96/57/43/458965743.db2.gz GPSOJKNDGZIKGT-QGZVFWFLSA-N 0 3 345.443 3.385 20 5 EGBDHN COc1cc(CN[C@H]2CC[C@@H](F)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000519669765 458984333 /nfs/dbraw/zinc/98/43/33/458984333.db2.gz MDLDRFALFZDXNR-MNOVXSKESA-N 0 3 348.321 3.228 20 5 EGBDHN CCOC(=O)c1cc(NC[C@@H]2CCCCN2CC)ccc1[N+](=O)[O-] ZINC000467796723 458987088 /nfs/dbraw/zinc/98/70/88/458987088.db2.gz GPTSFOQGXONLPA-AWEZNQCLSA-N 0 3 335.404 3.058 20 5 EGBDHN C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)CC(F)(F)F ZINC000468053170 458999741 /nfs/dbraw/zinc/99/97/41/458999741.db2.gz WZTYZWSJPRQLEN-ZJUUUORDSA-N 0 3 333.310 3.242 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@@H](NC[C@H](CO)Cc1ccco1)CCC2 ZINC000520332983 459049852 /nfs/dbraw/zinc/04/98/52/459049852.db2.gz WNGOOULJFZHMQZ-ACJLOTCBSA-N 0 3 330.384 3.006 20 5 EGBDHN Cc1ccc([C@H](C)N[C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589950189 459056182 /nfs/dbraw/zinc/05/61/82/459056182.db2.gz YBIAQNRESIMVER-JKOKRWQUSA-N 0 3 332.322 3.400 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCN(C2CCCC2)CC1 ZINC000577600236 459057790 /nfs/dbraw/zinc/05/77/90/459057790.db2.gz IEONVWPZMHGOGL-UHFFFAOYSA-N 0 3 345.443 3.302 20 5 EGBDHN O=[N+]([O-])c1cc(CNC[C@H](O)C2CC2)ccc1Oc1ccc(F)cc1 ZINC000558054489 459129232 /nfs/dbraw/zinc/12/92/32/459129232.db2.gz KBQKNWSWVZIVHN-KRWDZBQOSA-N 0 3 346.358 3.387 20 5 EGBDHN C[C@H](CC(N)=O)N[C@@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000479528071 459146906 /nfs/dbraw/zinc/14/69/06/459146906.db2.gz MUJDOKUVNGNXKQ-MNOVXSKESA-N 0 3 333.413 3.238 20 5 EGBDHN O=[N+]([O-])c1ccc2oc(CN[C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)nc2c1 ZINC000590726624 459196225 /nfs/dbraw/zinc/19/62/25/459196225.db2.gz CYFQVIADYARXQD-JLZZUVOBSA-N 0 3 343.383 3.173 20 5 EGBDHN C[C@@H](O)[C@](C)(CNCc1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000480465492 459199384 /nfs/dbraw/zinc/19/93/84/459199384.db2.gz DVUKFJUFGLDOKZ-KUHUBIRLSA-N 0 3 346.402 3.453 20 5 EGBDHN C[C@H](c1ccccc1)[C@@H](O)CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000595000548 459209624 /nfs/dbraw/zinc/20/96/24/459209624.db2.gz LGEVCNNATQTRHN-AOHPILMKSA-N 0 3 326.396 3.362 20 5 EGBDHN COc1ccc(OCCN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000595003845 459211947 /nfs/dbraw/zinc/21/19/47/459211947.db2.gz LGSZDUYZCGNVBH-CYBMUJFWSA-N 0 3 346.383 3.342 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H]1CCN1Cc1ccccc1 ZINC000595101951 459246126 /nfs/dbraw/zinc/24/61/26/459246126.db2.gz GORANYVXWGOEHU-LPHOPBHVSA-N 0 3 337.423 3.446 20 5 EGBDHN C[C@H](C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)N1[C@H](C)CC[C@H]1C ZINC000581989531 459288003 /nfs/dbraw/zinc/28/80/03/459288003.db2.gz RXNSLRTWIMDYGT-RBSFLKMASA-N 0 3 345.443 3.347 20 5 EGBDHN Cc1noc(CN[C@@H](CN(C)Cc2ccccc2)C(C)C)c1[N+](=O)[O-] ZINC000595439680 459301919 /nfs/dbraw/zinc/30/19/19/459301919.db2.gz JZVGUHUHKWTXAU-INIZCTEOSA-N 0 3 346.431 3.137 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000560558130 459373752 /nfs/dbraw/zinc/37/37/52/459373752.db2.gz ODEZUSUPHJTCGS-SRCQZFHVSA-N 0 3 333.432 3.247 20 5 EGBDHN C[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1[C@H](C)CC[C@H]1C ZINC000582652424 459402924 /nfs/dbraw/zinc/40/29/24/459402924.db2.gz SMMXXDVUNFHZHH-KFWWJZLASA-N 0 3 345.443 3.347 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595787689 459441487 /nfs/dbraw/zinc/44/14/87/459441487.db2.gz GIWOLXGFTVMZRS-CRAIPNDOSA-N 0 3 334.416 3.255 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000595790981 459442636 /nfs/dbraw/zinc/44/26/36/459442636.db2.gz RTTXBXJHAVVKDT-MAUKXSAKSA-N 0 3 334.416 3.255 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595792322 459443681 /nfs/dbraw/zinc/44/36/81/459443681.db2.gz ZNKFZYKCJNCVJK-KBXCAEBGSA-N 0 3 334.416 3.385 20 5 EGBDHN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CCN1C ZINC000485399424 459452246 /nfs/dbraw/zinc/45/22/46/459452246.db2.gz PGCPFWZTDPGBEW-DOMZBBRYSA-N 0 3 344.390 3.112 20 5 EGBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CCN1C ZINC000485399425 459452747 /nfs/dbraw/zinc/45/27/47/459452747.db2.gz PGCPFWZTDPGBEW-IUODEOHRSA-N 0 3 344.390 3.112 20 5 EGBDHN C[C@H](N[C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)Cc1ccccc1 ZINC000583034517 459471963 /nfs/dbraw/zinc/47/19/63/459471963.db2.gz MQSMULKTRCQOCD-IXDGSTSKSA-N 0 3 326.396 3.164 20 5 EGBDHN Cc1cc(NC2CCN(CCOC(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596148540 459537474 /nfs/dbraw/zinc/53/74/74/459537474.db2.gz HZLKVKQZHPZLGB-UHFFFAOYSA-N 0 3 327.450 3.266 20 5 EGBDHN C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCOC2(CCOCC2)CC1 ZINC000526061839 459541642 /nfs/dbraw/zinc/54/16/42/459541642.db2.gz BWFGEBCYSHUFOY-DTQAZKPQSA-N 0 3 346.427 3.270 20 5 EGBDHN CCOc1ccc([N+](=O)[O-])cc1CN1CC2(C[C@H]1C)CCOCC2 ZINC000592181058 459544817 /nfs/dbraw/zinc/54/48/17/459544817.db2.gz BCYUUVMKBXBTRC-CQSZACIVSA-N 0 3 334.416 3.385 20 5 EGBDHN O=c1[n-]ccc(Nc2cccc(CC[NH+]3CCCC3)c2)c1[N+](=O)[O-] ZINC000596183277 459551809 /nfs/dbraw/zinc/55/18/09/459551809.db2.gz XCMSXAKJXNLCAV-UHFFFAOYSA-N 0 3 328.372 3.077 20 5 EGBDHN CCCN(C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)[C@@H]1CCN(C)C1 ZINC000592234189 459557077 /nfs/dbraw/zinc/55/70/77/459557077.db2.gz GLYXJQZDUPOZSF-CQSZACIVSA-N 0 3 334.420 3.160 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccco1 ZINC000596231277 459568341 /nfs/dbraw/zinc/56/83/41/459568341.db2.gz PCUZGRILFKVRSW-PWSUYJOCSA-N 0 3 338.795 3.199 20 5 EGBDHN C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000527054883 459584057 /nfs/dbraw/zinc/58/40/57/459584057.db2.gz PMTFHVKIACWOJP-KCPLEYNQSA-N 0 3 340.427 3.296 20 5 EGBDHN CC(C)N1CCCC[C@@H]1Cn1ccc2ccc([N+](=O)[O-])cc2c1=O ZINC000596299751 459588977 /nfs/dbraw/zinc/58/89/77/459588977.db2.gz NTBVNBKGMNEPLJ-MRXNPFEDSA-N 0 3 329.400 3.173 20 5 EGBDHN Cc1cccc(C[C@@H](CO)N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000527214749 459609295 /nfs/dbraw/zinc/60/92/95/459609295.db2.gz XVFBWEMVDYQWNB-RDJZCZTQSA-N 0 3 328.412 3.466 20 5 EGBDHN O=[N+]([O-])c1ccccc1NCC1CCN(Cc2ccncc2)CC1 ZINC000596439361 459636348 /nfs/dbraw/zinc/63/63/48/459636348.db2.gz AVUIZQLNILWBKW-UHFFFAOYSA-N 0 3 326.400 3.314 20 5 EGBDHN COc1ccc(COCCN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000586773403 459869122 /nfs/dbraw/zinc/86/91/22/459869122.db2.gz QTJIQZPKPYQPLL-UHFFFAOYSA-N 0 3 344.411 3.295 20 5 EGBDHN COc1cc(CN(C)[C@H](C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000602320183 459893760 /nfs/dbraw/zinc/89/37/60/459893760.db2.gz NGAUCDCXZUCITA-SECBINFHSA-N 0 3 330.331 3.435 20 5 EGBDHN CN(C)CCOc1ccc(CCNc2ccc([N+](=O)[O-])s2)cc1 ZINC000609150079 459913963 /nfs/dbraw/zinc/91/39/63/459913963.db2.gz IZJPQWGTFHATGH-UHFFFAOYSA-N 0 3 335.429 3.251 20 5 EGBDHN CCN1CCCC[C@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000609530300 459975780 /nfs/dbraw/zinc/97/57/80/459975780.db2.gz BNCLNBKGEFUNKF-HNNXBMFYSA-N 0 3 347.459 3.497 20 5 EGBDHN CCCNC(=O)c1cccc(CNCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602517128 459980491 /nfs/dbraw/zinc/98/04/91/459980491.db2.gz VNUNUGZZNVTNLZ-UHFFFAOYSA-N 0 3 341.411 3.067 20 5 EGBDHN C[C@H](C[C@@H]1CCOC1)NCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602566595 459999682 /nfs/dbraw/zinc/99/96/82/459999682.db2.gz FAXVYJQUDDBGCP-BDAKNGLRSA-N 0 3 349.250 3.324 20 5 EGBDHN Cc1cnc([C@H](C)NC2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000602573777 460004238 /nfs/dbraw/zinc/00/42/38/460004238.db2.gz UISWPERECWPTGZ-LBPRGKRZSA-N 0 3 347.444 3.074 20 5 EGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCC1(CO)CCCC1 ZINC000602620664 460026724 /nfs/dbraw/zinc/02/67/24/460026724.db2.gz ZTMAIRXEAAWITB-UHFFFAOYSA-N 0 3 332.322 3.256 20 5 EGBDHN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CN[C@@H]1CCC[C@@H]1CCO ZINC000602625941 460029646 /nfs/dbraw/zinc/02/96/46/460029646.db2.gz VSWLNSNGJXQWPB-ZWNOBZJWSA-N 0 3 332.322 3.254 20 5 EGBDHN Cc1cccc(CCCNCc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000602648488 460041545 /nfs/dbraw/zinc/04/15/45/460041545.db2.gz AXJKOUNOTIGUJB-UHFFFAOYSA-N 0 3 326.356 3.162 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)c1cccc(N2CCCC2)c1 ZINC000602806491 460137301 /nfs/dbraw/zinc/13/73/01/460137301.db2.gz UVFSEQSPHCCZRO-CQSZACIVSA-N 0 3 343.431 3.051 20 5 EGBDHN CC(C)(C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000594195129 460143354 /nfs/dbraw/zinc/14/33/54/460143354.db2.gz CFFCHCUMNIIJEV-SJORKVTESA-N 0 3 345.443 3.006 20 5 EGBDHN Cc1ccc([C@H](C)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC000599074542 460152499 /nfs/dbraw/zinc/15/24/99/460152499.db2.gz RWXPJTUFTUVLHL-PNPHSEOMSA-N 0 3 343.383 3.185 20 5 EGBDHN CN(CCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000599095473 460158909 /nfs/dbraw/zinc/15/89/09/460158909.db2.gz VZHBULOAPWDIGU-HNNXBMFYSA-N 0 3 327.375 3.149 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CCN(C3CCC3)CC2)nc1-c1ccccc1 ZINC000611182206 460303629 /nfs/dbraw/zinc/30/36/29/460303629.db2.gz JJNLGFCBHAWPMJ-UHFFFAOYSA-N 0 3 338.411 3.331 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[C@@H](CCO)C3)o2)cc1 ZINC000611268910 460322710 /nfs/dbraw/zinc/32/27/10/460322710.db2.gz BYXVNTGNLRNSOM-AWEZNQCLSA-N 0 3 330.384 3.449 20 5 EGBDHN O=[N+]([O-])c1ccccc1CNc1ccc(CN2CCC(O)CC2)cc1 ZINC000611287939 460330481 /nfs/dbraw/zinc/33/04/81/460330481.db2.gz NZAWXCVNWNQJOW-UHFFFAOYSA-N 0 3 341.411 3.164 20 5 EGBDHN O=[N+]([O-])c1ccsc1N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000619501232 460370402 /nfs/dbraw/zinc/37/04/02/460370402.db2.gz FNXGPRLNPWMJAS-GASCZTMLSA-N 0 3 329.425 3.225 20 5 EGBDHN Cc1ccc(CNCCN2CCCc3ccccc32)cc1[N+](=O)[O-] ZINC000604532718 460442780 /nfs/dbraw/zinc/44/27/80/460442780.db2.gz WNHDGERRZPYXHW-UHFFFAOYSA-N 0 3 325.412 3.446 20 5 EGBDHN NC(=O)[C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000155000749 534427255 /nfs/dbraw/zinc/42/72/55/534427255.db2.gz OQXYBSJVASVZBU-CYBMUJFWSA-N 0 3 345.424 3.021 20 5 EGBDHN CCOc1ccc([C@@H](C)NCC[S@@](=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000153844948 528594458 /nfs/dbraw/zinc/59/44/58/528594458.db2.gz MLLQDTPSRAMLPV-SPSFWMDKSA-N 0 3 342.461 3.191 20 5 EGBDHN CCS[C@H]1CCCC[C@H]1NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000189505089 529228138 /nfs/dbraw/zinc/22/81/38/529228138.db2.gz GCZULEUNMHHQCM-HIFRSBDPSA-N 0 3 337.445 3.187 20 5 EGBDHN CC[C@H](NCc1cccc([N+](=O)[O-])c1)[C@@H](O)c1c(F)cccc1F ZINC000266274039 535920735 /nfs/dbraw/zinc/92/07/35/535920735.db2.gz CPIBKNIJZMBNCA-DOTOQJQBSA-N 0 3 336.338 3.475 20 5 EGBDHN CN(c1ccccc1)c1ccc(CN[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000729682662 574878434 /nfs/dbraw/zinc/87/84/34/574878434.db2.gz YDSOGWYCFQZRCV-INIZCTEOSA-N 0 3 340.427 3.156 20 5 EGBDHN CCN(CCOc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(C)cc1 ZINC000743868456 576817863 /nfs/dbraw/zinc/81/78/63/576817863.db2.gz XSQYKAASLKYZQK-IBGZPJMESA-N 0 3 344.411 3.338 20 5 EGBDHN CC(=O)OC1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000093453906 1292920818 /nfs/dbraw/zinc/92/08/18/1292920818.db2.gz BWMPOVCGUYFHSU-UHFFFAOYSA-N 0 3 344.367 3.382 20 5 EGBDHN C[C@@H](CNCc1csc([N+](=O)[O-])c1)CN(C)C(=O)OC(C)(C)C ZINC000111408432 1293103872 /nfs/dbraw/zinc/10/38/72/1293103872.db2.gz RMGLXFOFPJXSQA-NSHDSACASA-N 0 3 343.449 3.249 20 5 EGBDHN Cc1cc(COC(=O)c2cccc(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000835285969 1293252633 /nfs/dbraw/zinc/25/26/33/1293252633.db2.gz HQWPTFZTIOOKOJ-UHFFFAOYSA-N 0 3 328.368 3.322 20 5 EGBDHN CC(COC(=O)c1cc2ccc(Br)cc2s1)[N+](=O)[O-] ZINC000835455750 1293295300 /nfs/dbraw/zinc/29/53/00/1293295300.db2.gz OLWVDQYUPRYVAG-SSDOTTSWSA-N 0 3 344.186 3.486 20 5 EGBDHN O=C(OCC1CCN(Cc2ccco2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120618775 1293330420 /nfs/dbraw/zinc/33/04/20/1293330420.db2.gz HOTHRWGCUSQILI-UHFFFAOYSA-N 0 3 344.367 3.257 20 5 EGBDHN CCCCCN(CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000126873669 1293546845 /nfs/dbraw/zinc/54/68/45/1293546845.db2.gz NVJSOJGKUWLJSI-UHFFFAOYSA-N 0 3 345.237 3.342 20 5 EGBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000179495855 1294798045 /nfs/dbraw/zinc/79/80/45/1294798045.db2.gz GOXWTGCEYHKDJV-GFCCVEGCSA-N 0 3 345.378 3.109 20 5 EGBDHN O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000179495855 1294798051 /nfs/dbraw/zinc/79/80/51/1294798051.db2.gz GOXWTGCEYHKDJV-GFCCVEGCSA-N 0 3 345.378 3.109 20 5 EGBDHN O=[N+]([O-])c1ccc(CCNCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000194616788 1295994964 /nfs/dbraw/zinc/99/49/64/1295994964.db2.gz QNWBDPHPZKLXKI-UHFFFAOYSA-N 0 3 335.747 3.489 20 5 EGBDHN CC[C@H](C)NC(=O)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872029649 1296675649 /nfs/dbraw/zinc/67/56/49/1296675649.db2.gz YXEOFYKJRITPKZ-NWDGAFQWSA-N 0 3 339.461 3.272 20 5 EGBDHN CSc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H]1CCN(CC(F)F)C1 ZINC000872079563 1296722521 /nfs/dbraw/zinc/72/25/21/1296722521.db2.gz IZOLUWZYHHVPFP-GHMZBOCLSA-N 0 3 345.415 3.307 20 5 EGBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400390171 1297729923 /nfs/dbraw/zinc/72/99/23/1297729923.db2.gz ZQWDEOOCTMWQPL-HIFRSBDPSA-N 0 3 349.431 3.472 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1CN1CCC(C2(C)OCCO2)CC1 ZINC000876727432 1298942120 /nfs/dbraw/zinc/94/21/20/1298942120.db2.gz KIMJDAVUEOUUEO-UHFFFAOYSA-N 0 3 334.416 3.187 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NC[C@@H](O)COc1cccc(F)c1 ZINC000765288528 1302238061 /nfs/dbraw/zinc/23/80/61/1302238061.db2.gz KAQKHGMPACIBQH-CZUORRHYSA-N 0 3 348.374 3.133 20 5 EGBDHN CCN(Cc1cccnc1[N+](=O)[O-])[C@H](C)Cc1ccc(OC)cc1 ZINC000886003557 1303314659 /nfs/dbraw/zinc/31/46/59/1303314659.db2.gz GDKMLFJZCKHWKZ-CQSZACIVSA-N 0 3 329.400 3.452 20 5 EGBDHN CC[C@H](N[C@H](CO)C[C@H](O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000773110132 1303625860 /nfs/dbraw/zinc/62/58/60/1303625860.db2.gz VPTMXMGCYBAFRI-WDSOQIARSA-N 0 3 344.411 3.120 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775381131 1303951593 /nfs/dbraw/zinc/95/15/93/1303951593.db2.gz QSXRGMLKEVPOJB-SNPRPXQTSA-N 0 3 340.470 3.073 20 5 EGBDHN O=[N+]([O-])c1ccc([C@@H](O)CN2CCSC3(CCCCC3)C2)cc1 ZINC000776274663 1304125601 /nfs/dbraw/zinc/12/56/01/1304125601.db2.gz BSIVJHLINODRRG-INIZCTEOSA-N 0 3 336.457 3.380 20 5 EGBDHN Nc1ccc(N[C@H]2CCCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000786574473 1305602224 /nfs/dbraw/zinc/60/22/24/1305602224.db2.gz CMVQUMTWVCCZKJ-INIZCTEOSA-N 0 3 326.400 3.254 20 5 EGBDHN Cc1nc(CC2CCN(Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)no1 ZINC000896549918 1309910934 /nfs/dbraw/zinc/91/09/34/1309910934.db2.gz OSLLPQJQKGWBKB-UHFFFAOYSA-N 0 3 344.415 3.358 20 5 EGBDHN CC(C)CN(CCN(C)C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900587140 1317311414 /nfs/dbraw/zinc/31/14/14/1317311414.db2.gz STSAQNFTTMNMDB-UHFFFAOYSA-N 0 3 345.802 3.047 20 5 EGBDHN Cc1nn(CN2CC(C)(C)[C@@H]3CCC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000902673835 1317604852 /nfs/dbraw/zinc/60/48/52/1317604852.db2.gz KMEJXUNPPCPIPV-CABCVRRESA-N 0 3 329.404 3.116 20 5 EGBDHN CC(COC(=O)c1cc(-c2ccccn2)nc2ccccc21)[N+](=O)[O-] ZINC000813104826 1318501103 /nfs/dbraw/zinc/50/11/03/1318501103.db2.gz RYXXSQUAHGQZJB-LBPRGKRZSA-N 0 3 337.335 3.119 20 5 EGBDHN COc1cc(C(=O)OCC(C)[N+](=O)[O-])ccc1OCc1ccccc1 ZINC000813113001 1318502027 /nfs/dbraw/zinc/50/20/27/1318502027.db2.gz NNYHTJZLBPEYRW-ZDUSSCGKSA-N 0 3 345.351 3.096 20 5 EGBDHN COc1ccccc1/C=C(\C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813115586 1318502714 /nfs/dbraw/zinc/50/27/14/1318502714.db2.gz VYGNCOXOKNVESU-VMOJBDSFSA-N 0 3 341.363 3.444 20 5 EGBDHN C[C@@H](N[C@@H](C)c1ccc(NC(N)=O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579437 1319019308 /nfs/dbraw/zinc/01/93/08/1319019308.db2.gz MXBQEEYBGYKIOD-WDEREUQCSA-N 0 3 343.387 3.079 20 5 EGBDHN CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](O)Cc1ccccc1 ZINC000816624727 1319197548 /nfs/dbraw/zinc/19/75/48/1319197548.db2.gz FVHOMVDXFPEELI-OAHLLOKOSA-N 0 3 334.803 3.284 20 5 EGBDHN Cc1nc(CN)ccc1[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817906916 1319458734 /nfs/dbraw/zinc/45/87/34/1319458734.db2.gz GXPUZUNSKPUAFY-JTQLQIEISA-N 0 3 334.807 3.261 20 5 EGBDHN COc1cc(Cl)ccc1CNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819038917 1319620875 /nfs/dbraw/zinc/62/08/75/1319620875.db2.gz MNYNFOJPUZTQCB-HNNXBMFYSA-N 0 3 336.775 3.080 20 5 EGBDHN C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)OCC(C)[N+](=O)[O-] ZINC000838963878 1320843904 /nfs/dbraw/zinc/84/39/04/1320843904.db2.gz DOCICWLSZMKMFB-RNKPRXRFSA-N 0 3 333.262 3.197 20 5 EGBDHN Cc1cccc(OCC(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])c1 ZINC000845872933 1321747158 /nfs/dbraw/zinc/74/71/58/1321747158.db2.gz QVXYGWJSLVKEOH-SCLBCKFNSA-N 0 3 347.342 3.463 20 5 EGBDHN COc1ccccc1CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845873868 1321747782 /nfs/dbraw/zinc/74/77/82/1321747782.db2.gz XHLRLFOEKASYGM-KPZWWZAWSA-N 0 3 347.342 3.327 20 5 EGBDHN CC(C)OCCCC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845874201 1321748262 /nfs/dbraw/zinc/74/82/62/1321748262.db2.gz GBKFGOPJQLPNOG-BLLLJJGKSA-N 0 3 327.352 3.280 20 5 EGBDHN COC1CCC(N(C)Cn2cc(-c3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000848479232 1321962904 /nfs/dbraw/zinc/96/29/04/1321962904.db2.gz UXYIMUYWNIXUDJ-UHFFFAOYSA-N 0 3 344.415 3.305 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@H]1COC2(CCCCC2)O1 ZINC000848537838 1321971881 /nfs/dbraw/zinc/97/18/81/1321971881.db2.gz OQKDLJIVWVELEJ-BBRMVZONSA-N 0 3 332.400 3.248 20 5 EGBDHN COc1cc(N[C@H]2CCCN3CCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC000848785883 1322010769 /nfs/dbraw/zinc/01/07/69/1322010769.db2.gz OETUPEHOZXBRPX-GXTWGEPZSA-N 0 3 335.404 3.041 20 5 EGBDHN Cc1c(-c2noc(-c3cc4c(s3)CCNC4)n2)cccc1[N+](=O)[O-] ZINC000854161516 1325222968 /nfs/dbraw/zinc/22/29/68/1325222968.db2.gz ZXXCNXUOPDLMFV-UHFFFAOYSA-N 0 3 342.380 3.327 20 5 EGBDHN CC(C)(C)OC(=O)NCC[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000932701875 1329835358 /nfs/dbraw/zinc/83/53/58/1329835358.db2.gz GARPDBCKLNNKIM-AWEZNQCLSA-N 0 3 349.431 3.332 20 5 EGBDHN Cc1nn(C(C)C)c(C)c1CNCCOc1ccc([N+](=O)[O-])cc1 ZINC001120024181 1371460076 /nfs/dbraw/zinc/46/00/76/1371460076.db2.gz IEAJKLXXTFRSCU-UHFFFAOYSA-N 0 3 332.404 3.158 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3CC[C@@H]4NCCO[C@@H]43)c2)c1 ZINC001218119933 1373564247 /nfs/dbraw/zinc/56/42/47/1373564247.db2.gz LXQMGGGBLACDJK-FHWLQOOXSA-N 0 3 340.379 3.160 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3CC[C@@H]4NCCO[C@H]43)c2)c1 ZINC001218150930 1373570555 /nfs/dbraw/zinc/57/05/55/1373570555.db2.gz LXQMGGGBLACDJK-GBESFXJTSA-N 0 3 340.379 3.160 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1CNCCC1(F)F ZINC001218452864 1373616100 /nfs/dbraw/zinc/61/61/00/1373616100.db2.gz FPZJFGWUDVWWFS-VIFPVBQESA-N 0 3 327.114 3.278 20 5 EGBDHN Cc1ccc(C(=O)c2ccc([O-])c(O[C@H](C)C[N+](C)(C)C)c2)cc1 ZINC001229537992 1375852278 /nfs/dbraw/zinc/85/22/78/1375852278.db2.gz OCWUVXHMGXSETB-OAHLLOKOSA-O 0 3 328.432 3.405 20 5 EGBDHN Cc1ccc(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC001133261303 1375875933 /nfs/dbraw/zinc/87/59/33/1375875933.db2.gz KBQVYWUBUYTVMO-UHFFFAOYSA-N 0 3 347.802 3.076 20 5 EGBDHN CC(C)CC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001135414138 1377081955 /nfs/dbraw/zinc/08/19/55/1377081955.db2.gz MHAYSMQLBVRPQN-UHFFFAOYSA-N 0 3 347.459 3.407 20 5 EGBDHN Cc1ccc(Cl)cc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001135498932 1377119227 /nfs/dbraw/zinc/11/92/27/1377119227.db2.gz DJNMKBQSYZJQMN-UHFFFAOYSA-N 0 3 347.802 3.076 20 5 EGBDHN C[C@H](N)c1ccn(-c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)n1 ZINC001158357203 1381215803 /nfs/dbraw/zinc/21/58/03/1381215803.db2.gz XUCIGXLGZWICDU-JTQLQIEISA-N 0 3 327.319 3.001 20 5 EGBDHN CN1CCC(N(Cc2ccc(F)cc2)c2cc([N+](=O)[O-])ccn2)CC1 ZINC001158445459 1381248654 /nfs/dbraw/zinc/24/86/54/1381248654.db2.gz IQMJRWNMXGXCTH-UHFFFAOYSA-N 0 3 344.390 3.230 20 5 EGBDHN NCc1nn(-c2nc(-c3ccccc3)ccc2[N+](=O)[O-])c2ccccc12 ZINC001167695079 1383713681 /nfs/dbraw/zinc/71/36/81/1383713681.db2.gz CAXXQFOIXFYTRL-UHFFFAOYSA-N 0 3 345.362 3.454 20 5 EGBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2ncc(C(F)(F)F)cc2Cl)C1 ZINC001168968380 1384073671 /nfs/dbraw/zinc/07/36/71/1384073671.db2.gz YILJRGVPBSEADO-WPRPVWTQSA-N 0 3 337.729 3.289 20 5 EGBDHN CCOC(=O)C1=C(N=c2nc[nH]c3cc4ccccc4cc32)CCNC1 ZINC001170516968 1384333424 /nfs/dbraw/zinc/33/34/24/1384333424.db2.gz ZKZGXECUSAKJRU-UHFFFAOYSA-N 0 3 348.406 3.005 20 5 EGBDHN O=C(NCCCNCc1ccccc1[N+](=O)[O-])c1ccccc1Cl ZINC001171814060 1384648360 /nfs/dbraw/zinc/64/83/60/1384648360.db2.gz ZEDSOLBDJBLGIN-UHFFFAOYSA-N 0 3 347.802 3.158 20 5 EGBDHN Cc1ccc(F)c(CN[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)n1 ZINC001172912283 1384876040 /nfs/dbraw/zinc/87/60/40/1384876040.db2.gz MXTTVVJLDWXUDI-OAHLLOKOSA-N 0 3 329.375 3.475 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(O)cc2)CC1 ZINC001173224436 1384939297 /nfs/dbraw/zinc/93/92/97/1384939297.db2.gz FVEWTDAZGIYARI-HNNXBMFYSA-N 0 3 341.411 3.054 20 5 EGBDHN CC(=O)N(CCCNCc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC001177174019 1385844446 /nfs/dbraw/zinc/84/44/46/1385844446.db2.gz ACWBPWFOBSHMHZ-UHFFFAOYSA-N 0 3 333.432 3.113 20 5 EGBDHN CS[C@H]1CC[C@H](N(C)Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC001319748829 1386279184 /nfs/dbraw/zinc/27/91/84/1386279184.db2.gz CBONLMGNWWTNDP-JSGCOSHPSA-N 0 3 334.445 3.426 20 5 EGBDHN C[C@H](NCc1c(Br)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC001334056863 1390468810 /nfs/dbraw/zinc/46/88/10/1390468810.db2.gz KVFDOCAWOPAFDZ-QWRGUYRKSA-N 0 3 343.221 3.262 20 5 EGBDHN C[C@H](NCc1cc([N+](=O)[O-])ccc1Br)[C@H]1CCCOC1 ZINC001334772342 1390585433 /nfs/dbraw/zinc/58/54/33/1390585433.db2.gz NEGWDMRWZQLVGQ-QWRGUYRKSA-N 0 3 343.221 3.262 20 5 EGBDHN CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([O-])c(OC)c1[N+](=O)[O-] ZINC001334972329 1390627539 /nfs/dbraw/zinc/62/75/39/1390627539.db2.gz HFJATIDXAMZITK-TZMCWYRMSA-N 0 3 340.445 3.463 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)c2ccc(CN(C)C)cc2)cc1[N+](=O)[O-] ZINC000177856933 232013685 /nfs/dbraw/zinc/01/36/85/232013685.db2.gz XASSZRUSZZJGEG-AWEZNQCLSA-N 0 3 341.411 3.456 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H](C)c1cccc(O)c1 ZINC000181571152 234236650 /nfs/dbraw/zinc/23/66/50/234236650.db2.gz XNXOLNWSJBHWID-ZDUSSCGKSA-N 0 3 343.383 3.288 20 5 EGBDHN CN1CC[C@@H]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000352089141 283078664 /nfs/dbraw/zinc/07/86/64/283078664.db2.gz HRMGJQLEYQZBEV-QMTHXVAHSA-N 0 3 329.322 3.144 20 5 EGBDHN CCCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCc2ccccc2C1 ZINC000355542055 283292101 /nfs/dbraw/zinc/29/21/01/283292101.db2.gz JKRNMBUESJIDNG-MRXNPFEDSA-N 0 3 328.416 3.098 20 5 EGBDHN CC[C@H](NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000246723765 243301956 /nfs/dbraw/zinc/30/19/56/243301956.db2.gz WXKZYEWNLCYTFB-XOKHGSTOSA-N 0 3 348.447 3.028 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2nnc(CN3CCC[C@@H]3C3CCC3)o2)cc1 ZINC000264036476 246000527 /nfs/dbraw/zinc/00/05/27/246000527.db2.gz QRIOJQYMGRSQLG-OAHLLOKOSA-N 0 3 328.372 3.409 20 5 EGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](C)C1 ZINC000264941993 247068722 /nfs/dbraw/zinc/06/87/22/247068722.db2.gz SBUDBRQMKUZFCE-VXGBXAGGSA-N 0 3 339.823 3.098 20 5 EGBDHN Cn1cc(CN2C[C@@H]3[C@H](C2)C3(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093660982 218240419 /nfs/dbraw/zinc/24/04/19/218240419.db2.gz CZMXEWGETRBDKX-IYBDPMFKSA-N 0 3 326.400 3.083 20 5 EGBDHN COc1ccccc1[C@@H](CC(C)C)NCCn1cc([N+](=O)[O-])cn1 ZINC000181697680 532969467 /nfs/dbraw/zinc/96/94/67/532969467.db2.gz SVWRHELMQYSIOM-MRXNPFEDSA-N 0 3 332.404 3.177 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN([C@H]3CCc4ccc(F)cc43)CC2)n1 ZINC000365520049 285167947 /nfs/dbraw/zinc/16/79/47/285167947.db2.gz XOYQYERHNXUBCA-INIZCTEOSA-N 0 3 330.363 3.255 20 5 EGBDHN COc1ccc(CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000153696800 533549150 /nfs/dbraw/zinc/54/91/50/533549150.db2.gz QVVFURFMVJCCGW-IBGZPJMESA-N 0 3 342.395 3.301 20 5 EGBDHN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000356235365 141325304 /nfs/dbraw/zinc/32/53/04/141325304.db2.gz SKVFJGDVVRZUKR-PXAZEXFGSA-N 0 3 345.374 3.155 20 5 EGBDHN C[C@@H](NCCCNC(=O)c1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000173405975 144041126 /nfs/dbraw/zinc/04/11/26/144041126.db2.gz NSPSWURDBDTZHP-CYBMUJFWSA-N 0 3 345.374 3.205 20 5 EGBDHN COc1cc(CN[C@@H](CCO)C2CCCCC2)c([N+](=O)[O-])cc1F ZINC000184318046 144090884 /nfs/dbraw/zinc/09/08/84/144090884.db2.gz GTGRWPQUYWTNBC-HNNXBMFYSA-N 0 3 340.395 3.163 20 5 EGBDHN C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)N(C)C ZINC000185941745 144122296 /nfs/dbraw/zinc/12/22/96/144122296.db2.gz WDKXURKCUGKSDV-GUYCJALGSA-N 0 3 342.399 3.408 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)N(C)Cc1ccccc1 ZINC000192586058 144176733 /nfs/dbraw/zinc/17/67/33/144176733.db2.gz IWBJADDZFAHPAT-CYBMUJFWSA-N 0 3 331.420 3.052 20 5 EGBDHN CC[C@@H](NCC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000341220991 155211886 /nfs/dbraw/zinc/21/18/86/155211886.db2.gz OJLGNOZCZJLMLA-QGZVFWFLSA-N 0 3 339.395 3.225 20 5 EGBDHN CC[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000341222618 155212006 /nfs/dbraw/zinc/21/20/06/155212006.db2.gz YEAHVHKWYDAYAH-SJLPKXTDSA-N 0 3 330.384 3.075 20 5 EGBDHN Cc1ccc(CN(C)C)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000119372871 152200822 /nfs/dbraw/zinc/20/08/22/152200822.db2.gz VMMWBSQOXFCUOM-UHFFFAOYSA-N 0 3 345.374 3.285 20 5 EGBDHN C[C@H](CCO)NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000119625756 152218674 /nfs/dbraw/zinc/21/86/74/152218674.db2.gz QHALFUISNNLOHR-CQSZACIVSA-N 0 3 329.400 3.223 20 5 EGBDHN CCO[C@@H]1C[C@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)C12CCC2 ZINC000120811117 152301803 /nfs/dbraw/zinc/30/18/03/152301803.db2.gz YZSXXQCLPUQXMM-DLBZAZTESA-N 0 3 334.416 3.383 20 5 EGBDHN CNC(=O)c1ccc(CN(C)C/C=C/c2ccccc2[N+](=O)[O-])cc1 ZINC000121148913 152328814 /nfs/dbraw/zinc/32/88/14/152328814.db2.gz WPPSFKIEAKAQJT-FNORWQNLSA-N 0 3 339.395 3.100 20 5 EGBDHN C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1 ZINC000303510644 154044939 /nfs/dbraw/zinc/04/49/39/154044939.db2.gz WWHKSZOVSPQWDO-CQSZACIVSA-N 0 3 342.399 3.237 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000336787066 154211782 /nfs/dbraw/zinc/21/17/82/154211782.db2.gz DGIAGLZRZAQSAD-GOEBONIOSA-N 0 3 343.431 3.195 20 5 EGBDHN O=[N+]([O-])c1ccccc1-c1ccc(CN2CC([C@@H]3CCOC3)C2)o1 ZINC000365564206 157172343 /nfs/dbraw/zinc/17/23/43/157172343.db2.gz VPBCWCQNKSVVFI-CYBMUJFWSA-N 0 3 328.368 3.323 20 5 EGBDHN CC(C)Oc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cn2)N(C)C)cc1 ZINC000340909542 163692353 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Cc1cccc(C)c1OCCN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365889389 168056777 /nfs/dbraw/zinc/05/67/77/168056777.db2.gz XLSMYCIBVDURSF-UHFFFAOYSA-N 0 3 344.415 3.124 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000193731854 266057514 /nfs/dbraw/zinc/05/75/14/266057514.db2.gz YNHJYMBRRNJFMG-UHFFFAOYSA-N 0 3 343.383 3.096 20 5 EGBDHN CCN(C)CCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278454415 268017495 /nfs/dbraw/zinc/01/74/95/268017495.db2.gz LVSFLWIQSLERAE-UHFFFAOYSA-N 0 3 342.268 3.008 20 5 EGBDHN C[C@H]1C[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])CCN1C ZINC000090795079 275153563 /nfs/dbraw/zinc/15/35/63/275153563.db2.gz KDRAIFBAPATJII-GXSJLCMTSA-N 0 3 328.210 3.252 20 5 EGBDHN CC(C)(C)[S@@](=O)CCN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278964418 275291684 /nfs/dbraw/zinc/29/16/84/275291684.db2.gz BPYWHFGXJVPRAU-CMJOXMDJSA-N 0 3 338.473 3.454 20 5 EGBDHN O=[N+]([O-])c1ccc2oc(CN[C@H]3CCCC34CCOCC4)nc2c1 ZINC000282219093 275612419 /nfs/dbraw/zinc/61/24/19/275612419.db2.gz 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Cn1cc(CCCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])cn1 ZINC000290838457 276548454 /nfs/dbraw/zinc/54/84/54/276548454.db2.gz IPFQMOJQZYZIFQ-UHFFFAOYSA-N 0 3 343.214 3.358 20 5 EGBDHN CC(C)N(CCN(C)C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291822667 276695984 /nfs/dbraw/zinc/69/59/84/276695984.db2.gz SGFQUIDSLMDKQZ-UHFFFAOYSA-N 0 3 348.230 3.314 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CNC1CCC(c2nc(C)no2)CC1 ZINC000292319413 276768795 /nfs/dbraw/zinc/76/87/95/276768795.db2.gz WNJCFKPFFMPCGP-UHFFFAOYSA-N 0 3 346.387 3.111 20 5 EGBDHN Cc1cccc([N+](=O)[O-])c1N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000120605981 281259088 /nfs/dbraw/zinc/25/90/88/281259088.db2.gz WRPJYNBOFQNWRD-HOTGVXAUSA-N 0 3 347.459 3.229 20 5 EGBDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-])N(C)C ZINC000357847844 302138561 /nfs/dbraw/zinc/13/85/61/302138561.db2.gz IKVYUELJQIQKTG-RDTXWAMCSA-N 0 3 341.411 3.324 20 5 EGBDHN Cc1c(NC(=O)NCCN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000054355497 307337891 /nfs/dbraw/zinc/33/78/91/307337891.db2.gz WYQSUJGIGJHCSR-UHFFFAOYSA-N 0 3 342.399 3.157 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCCC[C@H]3O)o2)cc1 ZINC000077465365 307412305 /nfs/dbraw/zinc/41/23/05/307412305.db2.gz OJUBYGRVYNLJFF-WMLDXEAASA-N 0 3 330.384 3.496 20 5 EGBDHN CC[C@](C)(CO)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000152164369 307747003 /nfs/dbraw/zinc/74/70/03/307747003.db2.gz HZCNHMFGUCYXTJ-QGZVFWFLSA-N 0 3 334.372 3.114 20 5 EGBDHN COc1ccc([C@H](CO)CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000414196767 309066231 /nfs/dbraw/zinc/06/62/31/309066231.db2.gz WBUIMHXZWRUNKA-HOCLYGCPSA-N 0 3 344.411 3.339 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248427508 308003016 /nfs/dbraw/zinc/00/30/16/308003016.db2.gz OSXXQLVMJNXVQZ-JLJPHGGASA-N 0 3 331.416 3.352 20 5 EGBDHN CSc1ccc([C@@H](CNc2c([N+](=O)[O-])c(C)nn2C)N(C)C)cc1 ZINC000294082927 308188631 /nfs/dbraw/zinc/18/86/31/308188631.db2.gz NVYLCFXSJFWARB-CQSZACIVSA-N 0 3 349.460 3.073 20 5 EGBDHN CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](O)C(C)C ZINC000414527007 309086368 /nfs/dbraw/zinc/08/63/68/309086368.db2.gz MCNUKBFDXYGVAB-JSGCOSHPSA-N 0 3 332.347 3.081 20 5 EGBDHN CC(C)c1nnc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[n-]1 ZINC000294700941 308247525 /nfs/dbraw/zinc/24/75/25/308247525.db2.gz DAYKBCRHCHKQHE-UKRRQHHQSA-N 0 3 343.431 3.337 20 5 EGBDHN CC(C)c1nnc(CN[C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000294700941 308247527 /nfs/dbraw/zinc/24/75/27/308247527.db2.gz DAYKBCRHCHKQHE-UKRRQHHQSA-N 0 3 343.431 3.337 20 5 EGBDHN CC[C@@H](C)[C@H](CNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000294749790 308252960 /nfs/dbraw/zinc/25/29/60/308252960.db2.gz ICUUXTKVTNWEJK-DYVFJYSZSA-N 0 3 346.431 3.146 20 5 EGBDHN C[C@H](CCCO)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000294805616 308259145 /nfs/dbraw/zinc/25/91/45/308259145.db2.gz NJTURAQIMFPYLA-GFCCVEGCSA-N 0 3 335.429 3.217 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CCC(=O)N[C@H]1c1ccccc1 ZINC000414558778 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EGBDHN CN(C)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1cccs1 ZINC000302468936 308737633 /nfs/dbraw/zinc/73/76/33/308737633.db2.gz TVLYVMJSLUAKDE-CQSZACIVSA-N 0 3 332.429 3.339 20 5 EGBDHN C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413064235 309014159 /nfs/dbraw/zinc/01/41/59/309014159.db2.gz BTJXNAYJMFEKKE-GXTWGEPZSA-N 0 3 330.363 3.376 20 5 EGBDHN CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(C)(C)CN1CCCC1 ZINC000416093149 309158140 /nfs/dbraw/zinc/15/81/40/309158140.db2.gz JJWLMWTYNXHJFD-UHFFFAOYSA-N 0 3 345.399 3.287 20 5 EGBDHN O=C1C[C@H](N[C@H]2CCCCc3ccc([N+](=O)[O-])cc32)[C@H]2CCCCN12 ZINC000417329881 309201915 /nfs/dbraw/zinc/20/19/15/309201915.db2.gz KBKSWIWWDUZDSU-OKZBNKHCSA-N 0 3 343.427 3.105 20 5 EGBDHN CC1(C)C[C@H](N[C@H]2CCN(CC(F)F)C2)c2cc([N+](=O)[O-])ccc21 ZINC000417381086 309203720 /nfs/dbraw/zinc/20/37/20/309203720.db2.gz IBSORWVYUCWLHP-NHYWBVRUSA-N 0 3 339.386 3.246 20 5 EGBDHN CC[C@@H](NC(=O)NC[C@@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000417846343 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EGBDHN Cc1c(C(=O)NCCCN(C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000018232658 453649905 /nfs/dbraw/zinc/64/99/05/453649905.db2.gz BLHAVQULCFXDMC-UHFFFAOYSA-N 0 3 341.411 3.155 20 5 EGBDHN CCOc1ccc(NC(=O)CN(C)[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000026468311 453800641 /nfs/dbraw/zinc/80/06/41/453800641.db2.gz HAEHLXYZFFSFPV-ZIAGYGMSSA-N 0 3 349.431 3.443 20 5 EGBDHN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000027141575 453811944 /nfs/dbraw/zinc/81/19/44/453811944.db2.gz DAXFTSUOOXHJKR-UHFFFAOYSA-N 0 3 342.399 3.172 20 5 EGBDHN CCCC(=O)NC[C@@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075683467 453918651 /nfs/dbraw/zinc/91/86/51/453918651.db2.gz XCUCQNCBTNREOB-GJZGRUSLSA-N 0 3 333.432 3.284 20 5 EGBDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000068210918 454007600 /nfs/dbraw/zinc/00/76/00/454007600.db2.gz SKXYOWHHLOZMMC-NWDGAFQWSA-N 0 3 339.823 3.098 20 5 EGBDHN C[C@@H](CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000055902069 454024063 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COc1ccc2c(c1)CC[C@H]2NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000601264668 460769796 /nfs/dbraw/zinc/76/97/96/460769796.db2.gz CQNHGIUXVLNBLF-MRXNPFEDSA-N 0 3 328.368 3.389 20 5 EGBDHN C[C@@H](NC(=O)c1c(F)cccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000601456730 460815232 /nfs/dbraw/zinc/81/52/32/460815232.db2.gz VPMQNQABLXISMF-SJKOYZFVSA-N 0 3 345.374 3.155 20 5 EGBDHN C[C@H](NC(=O)NC[C@H](C)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000067706684 525075497 /nfs/dbraw/zinc/07/54/97/525075497.db2.gz LYWQHKAOJNGJJO-GJZGRUSLSA-N 0 3 348.447 3.075 20 5 EGBDHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)C1CCCCC1 ZINC000185511169 547118441 /nfs/dbraw/zinc/11/84/41/547118441.db2.gz XFQNKHGRNRSUBV-QWHCGFSZSA-N 0 3 333.432 3.388 20 5 EGBDHN COc1ccc(CNC[C@@H](O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000730106527 574920007 /nfs/dbraw/zinc/92/00/07/574920007.db2.gz AHNSTZFBKMXRAI-OAHLLOKOSA-N 0 3 336.775 3.080 20 5 EGBDHN CC[C@@H](C(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)N(CC)CC ZINC000750017221 1299323856 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336.338 3.431 20 5 EGBDHN COc1ccc2c(c1)CCCN(C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000776581526 1304175020 /nfs/dbraw/zinc/17/50/20/1304175020.db2.gz JGKUOHNHQQGOHA-LJQANCHMSA-N 0 3 342.395 3.085 20 5 EGBDHN O=[N+]([O-])c1cnn(CN2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)c1 ZINC000776770644 1304195632 /nfs/dbraw/zinc/19/56/32/1304195632.db2.gz BFABPYQXSVBBRL-KZNAEPCWSA-N 0 3 326.400 3.407 20 5 EGBDHN O=[N+]([O-])c1ccc(CNCCN2CCc3ccccc32)cc1Cl ZINC000783601595 1305114495 /nfs/dbraw/zinc/11/44/95/1305114495.db2.gz RYGQCPRTNMEXCM-UHFFFAOYSA-N 0 3 331.803 3.401 20 5 EGBDHN CC(C)(C)[C@H]1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000784036266 1305180482 /nfs/dbraw/zinc/18/04/82/1305180482.db2.gz SQCMZJAAUOOYSB-AWEZNQCLSA-N 0 3 329.404 3.179 20 5 EGBDHN O=[N+]([O-])c1cc(Cl)ccc1CNC1CCN(CC(F)F)CC1 ZINC000892757554 1305541319 /nfs/dbraw/zinc/54/13/19/1305541319.db2.gz KBNYQNRHKSBSOW-UHFFFAOYSA-N 0 3 333.766 3.067 20 5 EGBDHN COc1c([O-])ccc(C[NH2+]C2CCC(OC(C)C)CC2)c1[N+](=O)[O-] ZINC000893180507 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LUXAVEWEPOQSRX-IWEFOYFVSA-N 0 3 328.368 3.048 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN([C@H]3C[C@@H]3c3cccc(F)c3)CC2)n1 ZINC000906587344 1318120741 /nfs/dbraw/zinc/12/07/41/1318120741.db2.gz MLLXIAUNLPCXDV-CVEARBPZSA-N 0 3 330.363 3.123 20 5 EGBDHN CC(C)C(=O)NCCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811485398 1318183802 /nfs/dbraw/zinc/18/38/02/1318183802.db2.gz IXLCGVKIMDALPV-UHFFFAOYSA-N 0 3 348.230 3.154 20 5 EGBDHN CCOc1ccc(Nc2ncccc2C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813108652 1318499848 /nfs/dbraw/zinc/49/98/48/1318499848.db2.gz JHXGGNXOQVFPTB-GFCCVEGCSA-N 0 3 345.355 3.046 20 5 EGBDHN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107321 1318501214 /nfs/dbraw/zinc/50/12/14/1318501214.db2.gz LXQFXFMPCZIAMZ-ZETCQYMHSA-N 0 3 342.710 3.265 20 5 EGBDHN Cc1ccc(-n2ncc(C(=O)OCC(C)[N+](=O)[O-])c2C(C)C)cc1 ZINC000813113553 1318502698 /nfs/dbraw/zinc/50/26/98/1318502698.db2.gz RLQCSSHCSDBDNE-ZDUSSCGKSA-N 0 3 331.372 3.126 20 5 EGBDHN C[C@@H](N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815579620 1319019288 /nfs/dbraw/zinc/01/92/88/1319019288.db2.gz RDDSZONEIDFEOF-VHSXEESVSA-N 0 3 341.371 3.171 20 5 EGBDHN N[C@@H](CC1CCCCC1)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817960545 1319477758 /nfs/dbraw/zinc/47/77/58/1319477758.db2.gz NKRDGPRZASALCQ-HNNXBMFYSA-N 0 3 339.823 3.162 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN[C@@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000819001352 1319609954 /nfs/dbraw/zinc/60/99/54/1319609954.db2.gz LNRGGBSIWBXEOQ-QRVBRYPASA-N 0 3 342.395 3.138 20 5 EGBDHN CC(C)(C)CCN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917877804 1319885286 /nfs/dbraw/zinc/88/52/86/1319885286.db2.gz VFGNUNRRACEIEM-RMKNXTFCSA-N 0 3 345.443 3.188 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(CC[C@@H]3CC3(Cl)Cl)C2)nc1 ZINC000822750997 1320120204 /nfs/dbraw/zinc/12/02/04/1320120204.db2.gz SNMROAAYNQWQMW-MNOVXSKESA-N 0 3 345.230 3.060 20 5 EGBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825796381 1320363616 /nfs/dbraw/zinc/36/36/16/1320363616.db2.gz DNDSIQXIQUNFNU-GFCCVEGCSA-N 0 3 339.823 3.161 20 5 EGBDHN CC(C)(C)N1CC[C@H]1COC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000845734845 1321738268 /nfs/dbraw/zinc/73/82/68/1321738268.db2.gz UHYODJGAXHGAIR-AWEZNQCLSA-N 0 3 345.399 3.035 20 5 EGBDHN CC[C@@H]1C[C@H](C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])CCO1 ZINC000845876620 1321748850 /nfs/dbraw/zinc/74/88/50/1321748850.db2.gz NETSMUWSNCWNBT-VPWBDBDCSA-N 0 3 339.363 3.280 20 5 EGBDHN CCc1nc(C)c(C(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])o1 ZINC000845875642 1321748884 /nfs/dbraw/zinc/74/88/84/1321748884.db2.gz AUVFMVYLJKDKKS-BMIGLBTASA-N 0 3 336.319 3.248 20 5 EGBDHN CC([C@H](OC(=O)COC1CCCCC1)c1ccccc1F)[N+](=O)[O-] ZINC000845878680 1321749697 /nfs/dbraw/zinc/74/96/97/1321749697.db2.gz VOGZTAVJJBPUTA-PXAZEXFGSA-N 0 3 339.363 3.425 20 5 EGBDHN CC(C)c1cc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])n(C)n1 ZINC000845881128 1321750457 /nfs/dbraw/zinc/75/04/57/1321750457.db2.gz YCXDPGHOOMDXIY-MEDUHNTESA-N 0 3 349.362 3.246 20 5 EGBDHN CC([C@H](OC(=O)c1occ2c1CCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845883549 1321750615 /nfs/dbraw/zinc/75/06/15/1321750615.db2.gz URDCPNQZSPPUPQ-BMIGLBTASA-N 0 3 333.315 3.471 20 5 EGBDHN CC([C@@H](OC(=O)c1occ2c1CCC2)c1ccccc1F)[N+](=O)[O-] ZINC000845883551 1321751238 /nfs/dbraw/zinc/75/12/38/1321751238.db2.gz URDCPNQZSPPUPQ-MEBBXXQBSA-N 0 3 333.315 3.471 20 5 EGBDHN CC([C@@H](OC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccc1F)[N+](=O)[O-] ZINC000860854642 1329363145 /nfs/dbraw/zinc/36/31/45/1329363145.db2.gz FKHWSUPQXXGTBW-XNIJJKJLSA-N 0 3 333.315 3.472 20 5 EGBDHN C[C@@H](NC(=O)c1cccc(CN(C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000928249662 1328256460 /nfs/dbraw/zinc/25/64/60/1328256460.db2.gz UPYMVZMDZQLFLX-CYBMUJFWSA-N 0 3 327.384 3.147 20 5 EGBDHN Cc1ccc2nc(CN[C@H](C)Cc3ccc(F)cc3[N+](=O)[O-])cn2c1 ZINC000866260523 1330086841 /nfs/dbraw/zinc/08/68/41/1330086841.db2.gz VAAYASYDIZGAAD-CYBMUJFWSA-N 0 3 342.374 3.411 20 5 EGBDHN C[NH+](C)[C@H]1CCOc2c(Nc3cc([O-])cc([N+](=O)[O-])c3)cccc21 ZINC001201229238 1369499781 /nfs/dbraw/zinc/49/97/81/1369499781.db2.gz ISKBZZDIYZKDCL-INIZCTEOSA-N 0 3 329.356 3.429 20 5 EGBDHN CC(C)n1ncc2c1[C@@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)CCC2 ZINC001325844162 1388054474 /nfs/dbraw/zinc/05/44/74/1388054474.db2.gz OOYOFHFXZYRHKY-IRXDYDNUSA-N 0 3 344.415 3.073 20 5 EGBDHN CCOC(=O)[C@@H]1CNCCN1Cc1c2ccccc2cc2ccccc21 ZINC001211361693 1372540511 /nfs/dbraw/zinc/54/05/11/1372540511.db2.gz AJUWLJDISKFUGG-NRFANRHFSA-N 0 3 348.446 3.330 20 5 EGBDHN Cc1c(Cl)cc([N+](=O)[O-])c(O[C@@H]2CN[C@@H]2C)c1Br ZINC001218385981 1373604354 /nfs/dbraw/zinc/60/43/54/1373604354.db2.gz JMAMNSIROWJMER-HZGVNTEJSA-N 0 3 335.585 3.058 20 5 EGBDHN Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CC[C@@H](N2CCOCC2)CC1 ZINC001228572117 1375602083 /nfs/dbraw/zinc/60/20/83/1375602083.db2.gz XBOKXWDIUWEWKT-WOVMCDHWSA-N 0 3 334.416 3.234 20 5 EGBDHN O=C(NCCNCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC001148862922 1379285666 /nfs/dbraw/zinc/28/56/66/1379285666.db2.gz MAJZYJVSOYBTOI-UHFFFAOYSA-N 0 3 349.390 3.268 20 5 EGBDHN CCC1(C(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC001152054249 1379852384 /nfs/dbraw/zinc/85/23/84/1379852384.db2.gz XMOICWFXCHLUSB-UHFFFAOYSA-N 0 3 333.432 3.161 20 5 EGBDHN O=[N+]([O-])c1cnc(Cl)nc1NC[C@H](c1ccccc1)N1CCCC1 ZINC001156523166 1380588056 /nfs/dbraw/zinc/58/80/56/1380588056.db2.gz MBMBPWVUJGDVDM-CYBMUJFWSA-N 0 3 347.806 3.287 20 5 EGBDHN O=C(CC1CCC1)NCCC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC001163958416 1383139857 /nfs/dbraw/zinc/13/98/57/1383139857.db2.gz HLKUOPYIMSMKNI-UHFFFAOYSA-N 0 3 345.443 3.161 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)[C@@H](C)CN1c1cc([N+](=O)[O-])ccn1 ZINC001165202732 1383248058 /nfs/dbraw/zinc/24/80/58/1383248058.db2.gz ZFYWACVNRWSJRE-LSDHHAIUSA-N 0 3 326.400 3.089 20 5 EGBDHN Cc1cccc(C)c1C(=O)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001167248983 1383575435 /nfs/dbraw/zinc/57/54/35/1383575435.db2.gz PIVHASOHVJSFOQ-UHFFFAOYSA-N 0 3 341.411 3.121 20 5 EGBDHN O=[N+]([O-])C[C@H]1CC[C@H](NCc2c(F)cc(Br)cc2F)C1 ZINC001168991330 1384080722 /nfs/dbraw/zinc/08/07/22/1384080722.db2.gz GIEBVPQQQCJOTC-WPRPVWTQSA-N 0 3 349.175 3.262 20 5 EGBDHN O=[N+]([O-])C[C@@H]1CC[C@@H](NCc2c(F)cc(Br)cc2F)C1 ZINC001168991325 1384081042 /nfs/dbraw/zinc/08/10/42/1384081042.db2.gz GIEBVPQQQCJOTC-PSASIEDQSA-N 0 3 349.175 3.262 20 5 EGBDHN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCn3cccc3[C@@H]2c2ccccc2)C1 ZINC001169007437 1384086049 /nfs/dbraw/zinc/08/60/49/1384086049.db2.gz NRZNXLLTLQWBSC-AYBZRNKSSA-N 0 3 325.412 3.339 20 5 EGBDHN COc1ccc(C[C@H](C)n2nc(CN)c3ccccc32)c([N+](=O)[O-])c1 ZINC001170311023 1384287801 /nfs/dbraw/zinc/28/78/01/1384287801.db2.gz YRRCDYPXCKTTPX-LBPRGKRZSA-N 0 3 340.383 3.216 20 5 EGBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@](O)(C(F)(F)F)C1 ZINC001173226451 1384940039 /nfs/dbraw/zinc/94/00/39/1384940039.db2.gz LQYIRQXARJBCGK-XUJVJEKNSA-N 0 3 346.349 3.161 20 5 EGBDHN O=C(CC(C1CC1)C1CC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001177041823 1385782370 /nfs/dbraw/zinc/78/23/70/1385782370.db2.gz BWVFLSHNQFOCEP-UHFFFAOYSA-N 0 3 345.443 3.017 20 5 EGBDHN CC(C)(C(=O)Nc1cccc2c1CNC2)c1ccc([N+](=O)[O-])cc1 ZINC001340994579 1390421209 /nfs/dbraw/zinc/42/12/09/1390421209.db2.gz MGHINAVASRDBDM-UHFFFAOYSA-N 0 3 325.368 3.114 20 5 EGBDHN Cc1ccccc1C[C@@H](CO)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000786156201 1126109720 /nfs/dbraw/zinc/10/97/20/1126109720.db2.gz ALMZWUAZAVRQGC-INIZCTEOSA-N 0 3 334.803 3.250 20 5 EGBDHN C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)N(C)C1CC1 ZINC000068218406 215291590 /nfs/dbraw/zinc/29/15/90/215291590.db2.gz YIOCCJJJDCZHGT-JTQLQIEISA-N 0 3 333.413 3.022 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCCOCC3)cs2)c1 ZINC000181029967 234065640 /nfs/dbraw/zinc/06/56/40/234065640.db2.gz ZMYTXEPTPFQPRE-ZDUSSCGKSA-N 0 3 333.413 3.377 20 5 EGBDHN Cc1ccc([C@H](C)NC[C@@H](O)COc2ccccc2F)cc1[N+](=O)[O-] ZINC000181807257 234330468 /nfs/dbraw/zinc/33/04/68/234330468.db2.gz WWDRYSOZLGAQKV-DZGCQCFKSA-N 0 3 348.374 3.133 20 5 EGBDHN CCNC(=O)[C@H](C)N[C@H](C)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000268740432 252190747 /nfs/dbraw/zinc/19/07/47/252190747.db2.gz RSPPKBCZJOYOJP-NEPJUHHUSA-N 0 3 347.440 3.499 20 5 EGBDHN O=[N+]([O-])c1ccc(CN(C[C@H](O)c2ccc(F)cc2)C2CC2)cc1 ZINC000265442941 285112067 /nfs/dbraw/zinc/11/20/67/285112067.db2.gz QQZWYOSOCONHDA-SFHVURJKSA-N 0 3 330.359 3.432 20 5 EGBDHN COc1ccc([C@H](NC[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178569348 533195199 /nfs/dbraw/zinc/19/51/99/533195199.db2.gz LZNVPGSDKUHGGR-RTBURBONSA-N 0 3 342.395 3.378 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000181695530 533223067 /nfs/dbraw/zinc/22/30/67/533223067.db2.gz NPKBURFQORNZGI-OIISXLGYSA-N 0 3 332.400 3.041 20 5 EGBDHN O=[N+]([O-])c1ccccc1CN1CCNC[C@H]1c1cccc(Cl)c1 ZINC000261780552 296513920 /nfs/dbraw/zinc/51/39/20/296513920.db2.gz MWYXPFPXJIYEKX-KRWDZBQOSA-N 0 3 331.803 3.395 20 5 EGBDHN C[C@@H](C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)[C@@H](N)c1ccccc1 ZINC000237599762 141010040 /nfs/dbraw/zinc/01/00/40/141010040.db2.gz MTDPGYLXKHEYFY-CXAGYDPISA-N 0 3 341.411 3.282 20 5 EGBDHN Cc1ccnc(N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000310157949 154138475 /nfs/dbraw/zinc/13/84/75/154138475.db2.gz HPYIZDINJBJXAS-GOEBONIOSA-N 0 3 326.400 3.373 20 5 EGBDHN Cc1ccc(NC(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000337372269 154315014 /nfs/dbraw/zinc/31/50/14/154315014.db2.gz PBNRKHIYKFMAQR-ZIAGYGMSSA-N 0 3 334.420 3.288 20 5 EGBDHN CN(C)CCN(Cc1ccccc1F)Cc1ccc([N+](=O)[O-])cc1F ZINC000348898582 156280665 /nfs/dbraw/zinc/28/06/65/156280665.db2.gz YCAAAZNVCFOERZ-UHFFFAOYSA-N 0 3 349.381 3.437 20 5 EGBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(Cc3cccc4[nH]ccc43)C2)nc1 ZINC000093534867 162015470 /nfs/dbraw/zinc/01/54/70/162015470.db2.gz SKYAGSFZLKMRDU-AWEZNQCLSA-N 0 3 337.383 3.158 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000110347911 162124763 /nfs/dbraw/zinc/12/47/63/162124763.db2.gz WZVDENPVNYEPPC-HNNXBMFYSA-N 0 3 341.411 3.154 20 5 EGBDHN CCO[C@@H]1C[C@@H](NCc2cc([N+](=O)[O-])ccc2OC)C12CCCC2 ZINC000344105806 164103792 /nfs/dbraw/zinc/10/37/92/164103792.db2.gz QEQNLNWROQAALH-IAGOWNOFSA-N 0 3 334.416 3.431 20 5 EGBDHN CC(=O)NC1CCC(N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000344143221 164113204 /nfs/dbraw/zinc/11/32/04/164113204.db2.gz NRYZAEWTLJVALI-UHFFFAOYSA-N 0 3 339.823 3.127 20 5 EGBDHN CCN1CC[C@@H](N(C)c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1C ZINC000352357830 165361312 /nfs/dbraw/zinc/36/13/12/165361312.db2.gz UNJKLWBVVXNUKM-UKRRQHHQSA-N 0 3 328.416 3.452 20 5 EGBDHN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000358959291 167018629 /nfs/dbraw/zinc/01/86/29/167018629.db2.gz WTBVBKUAPPMYJZ-ZBFHGGJFSA-N 0 3 343.431 3.367 20 5 EGBDHN O=[N+]([O-])c1ccn(C2CCN(CCSc3ccccc3)CC2)n1 ZINC000365125477 168024635 /nfs/dbraw/zinc/02/46/35/168024635.db2.gz QNFZWQCWTMDAPH-UHFFFAOYSA-N 0 3 332.429 3.221 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H]4[C@H](CO)[C@H]4C3)o2)c(Cl)c1 ZINC000367775418 168268604 /nfs/dbraw/zinc/26/86/04/168268604.db2.gz BYUBXLNVBLLQBO-FICVDOATSA-N 0 3 348.786 3.178 20 5 EGBDHN CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000122794185 222159644 /nfs/dbraw/zinc/15/96/44/222159644.db2.gz FRMJKHCPULYUHZ-CABCVRRESA-N 0 3 335.404 3.130 20 5 EGBDHN Cc1ccc(C[C@@H](CO)N[C@H](C)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000191585193 265918216 /nfs/dbraw/zinc/91/82/16/265918216.db2.gz QBJGNLJZEVSURS-WBVHZDCISA-N 0 3 328.412 3.466 20 5 EGBDHN Cc1ccnc(NC[C@H]2CCN(Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000192956665 265999421 /nfs/dbraw/zinc/99/94/21/265999421.db2.gz NOVUWBIVRAVXQG-MRXNPFEDSA-N 0 3 326.400 3.232 20 5 EGBDHN O=[N+]([O-])c1cccc([C@H](O)CN(Cc2cccc(F)c2)C2CC2)c1 ZINC000269692311 266343029 /nfs/dbraw/zinc/34/30/29/266343029.db2.gz VLUXGCBRFKDGED-GOSISDBHSA-N 0 3 330.359 3.432 20 5 EGBDHN C[C@H](NC(=O)[C@H]1CCCN1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000269741435 266352196 /nfs/dbraw/zinc/35/21/96/266352196.db2.gz XCYBKFXIDGCKPK-SUMWQHHRSA-N 0 3 331.416 3.179 20 5 EGBDHN CCO[C@@H]1C[C@H](N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000274245815 267205434 /nfs/dbraw/zinc/20/54/34/267205434.db2.gz RMLPXHMUMHKNRG-RUGDWHBFSA-N 0 3 334.416 3.280 20 5 EGBDHN CCO[C@@H]1C[C@H](N[C@H](CC)c2cccc([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000274249753 267205767 /nfs/dbraw/zinc/20/57/67/267205767.db2.gz SAUZTQNUOYZGED-XDNAFOTISA-N 0 3 334.416 3.362 20 5 EGBDHN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC12CCN(C)CC2 ZINC000364076840 274686714 /nfs/dbraw/zinc/68/67/14/274686714.db2.gz XBEPJTXQCBUJOM-UHFFFAOYSA-N 0 3 346.431 3.304 20 5 EGBDHN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Br)CCN1C ZINC000090795070 275153542 /nfs/dbraw/zinc/15/35/42/275153542.db2.gz LMFPUPIBWRLKLS-NXEZZACHSA-N 0 3 328.210 3.252 20 5 EGBDHN COc1cc(C(=O)Nc2cc(C)cc(CN(C)C)c2)ccc1[N+](=O)[O-] ZINC000270392491 275236659 /nfs/dbraw/zinc/23/66/59/275236659.db2.gz SDLWEZZLSHLIBL-UHFFFAOYSA-N 0 3 343.383 3.226 20 5 EGBDHN CCc1nn(C)c(CC)c1CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000289395097 276332775 /nfs/dbraw/zinc/33/27/75/276332775.db2.gz NXTPYMPEUAWNBC-UHFFFAOYSA-N 0 3 330.432 3.128 20 5 EGBDHN CC(C)[C@H](N[C@H](C)CCc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000289569905 276359338 /nfs/dbraw/zinc/35/93/38/276359338.db2.gz SJWLQBOWMRDLCC-CJNGLKHVSA-N 0 3 331.420 3.031 20 5 EGBDHN C[C@@H](NCCN1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000178648995 278347411 /nfs/dbraw/zinc/34/74/11/278347411.db2.gz DNIMXOAXEPLGPQ-CYBMUJFWSA-N 0 3 331.441 3.365 20 5 EGBDHN C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000181771389 278356979 /nfs/dbraw/zinc/35/69/79/278356979.db2.gz NFVKXLOQWKKGNM-CYBMUJFWSA-N 0 3 341.411 3.150 20 5 EGBDHN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)N(C)C ZINC000187205615 279449422 /nfs/dbraw/zinc/44/94/22/279449422.db2.gz PVHWIAZKASNUCN-SUMWQHHRSA-N 0 3 327.384 3.016 20 5 EGBDHN Cc1ccc([C@H](C)N[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000067452454 307365678 /nfs/dbraw/zinc/36/56/78/307365678.db2.gz JBZAHNMQAYXDEE-KBXCAEBGSA-N 0 3 339.395 3.359 20 5 EGBDHN CN(C)CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000132517643 307658997 /nfs/dbraw/zinc/65/89/97/307658997.db2.gz SBAZOPNTZXUXFR-UHFFFAOYSA-N 0 3 334.420 3.323 20 5 EGBDHN CN(C)Cc1ccccc1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000137065303 307715626 /nfs/dbraw/zinc/71/56/26/307715626.db2.gz WYUUHXHBOHLOLV-UHFFFAOYSA-N 0 3 347.802 3.240 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2nc(CN3CC[C@@H](O)C34CCCC4)co2)cc1 ZINC000292849444 308072353 /nfs/dbraw/zinc/07/23/53/308072353.db2.gz VMIICJSHTOSBJC-MRXNPFEDSA-N 0 3 343.383 3.129 20 5 EGBDHN C[C@H]1CCC[C@@]1(O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000293000008 308088889 /nfs/dbraw/zinc/08/88/89/308088889.db2.gz MZOMBFYEFNDDBT-YVEFUNNKSA-N 0 3 347.440 3.359 20 5 EGBDHN O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[C@H](CO)CC3)o2)c1 ZINC000294155103 308195338 /nfs/dbraw/zinc/19/53/38/308195338.db2.gz VQFULVLFOBHUQP-AWEZNQCLSA-N 0 3 330.384 3.449 20 5 EGBDHN C[C@@H]1C[C@H](CNCc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)O1 ZINC000414522300 309086218 /nfs/dbraw/zinc/08/62/18/309086218.db2.gz XDEVBJHZWIAMDA-GMTAPVOTSA-N 0 3 330.331 3.099 20 5 EGBDHN Cc1ccc([C@H](C)NC[C@H](O)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000294394645 308217382 /nfs/dbraw/zinc/21/73/82/308217382.db2.gz CEBKPTHRHGUKRW-SUMWQHHRSA-N 0 3 332.375 3.297 20 5 EGBDHN C[C@@H](NCC1([C@H](O)c2ccccc2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294922652 308271851 /nfs/dbraw/zinc/27/18/51/308271851.db2.gz XCGFSTLKVAHVSQ-FZKQIMNGSA-N 0 3 341.411 3.341 20 5 EGBDHN COCc1cc([N+](=O)[O-])ccc1N1CCN(C2CCC(C)CC2)CC1 ZINC000301478897 308701809 /nfs/dbraw/zinc/70/18/09/308701809.db2.gz QNEJLGLXKMNKBQ-UHFFFAOYSA-N 0 3 347.459 3.442 20 5 EGBDHN CC(C)N(CCN(C)C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000302230968 308734318 /nfs/dbraw/zinc/73/43/18/308734318.db2.gz XIHVGQKTEXKQAS-UHFFFAOYSA-N 0 3 330.226 3.134 20 5 EGBDHN CCc1ccc(C(=O)N(C)C(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000416110572 309159047 /nfs/dbraw/zinc/15/90/47/309159047.db2.gz UHLQDZUAEDAXHK-UHFFFAOYSA-N 0 3 333.432 3.104 20 5 EGBDHN Cc1cnc(CCN[C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)nc1 ZINC000417311152 309201204 /nfs/dbraw/zinc/20/12/04/309201204.db2.gz NUXNXIREZQAHPR-QGZVFWFLSA-N 0 3 326.400 3.293 20 5 EGBDHN CC[C@H](C)NC(=O)CCN[C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417346577 309202426 /nfs/dbraw/zinc/20/24/26/309202426.db2.gz VWJGPBNXZQDOQU-GUYCJALGSA-N 0 3 333.432 3.257 20 5 EGBDHN N[C@@H](C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C1CCC1 ZINC000423215300 309390888 /nfs/dbraw/zinc/39/08/88/309390888.db2.gz QGTSVHPSTLPPAF-QGZVFWFLSA-N 0 3 341.367 3.453 20 5 EGBDHN CC[C@@H](NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000425430866 309480050 /nfs/dbraw/zinc/48/00/50/309480050.db2.gz GRSSQYHMJWWSPP-OCCSQVGLSA-N 0 3 343.221 3.405 20 5 EGBDHN CCCOc1ccc(CN[C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449086517 310035970 /nfs/dbraw/zinc/03/59/70/310035970.db2.gz BWZXBAMSIXGPKW-CQSZACIVSA-N 0 3 329.400 3.499 20 5 EGBDHN Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)N2CCCC2)cc1 ZINC000450286013 310113335 /nfs/dbraw/zinc/11/33/35/310113335.db2.gz GSTCLRTUZHGOSY-KRWDZBQOSA-N 0 3 341.415 3.251 20 5 EGBDHN CC(C)[C@H](CO)[C@@H](NCc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000451602364 310188765 /nfs/dbraw/zinc/18/87/65/310188765.db2.gz VJSMTOVYYUBMSB-BBRMVZONSA-N 0 3 330.375 3.252 20 5 EGBDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454656589 310322421 /nfs/dbraw/zinc/32/24/21/310322421.db2.gz ZOJWASAJZUIUNG-KFWWJZLASA-N 0 3 348.447 3.075 20 5 EGBDHN C[C@@H](N[C@@H]1CCC[C@@H]2C[C@@H]21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000459792968 310575719 /nfs/dbraw/zinc/57/57/19/310575719.db2.gz VCPDUWYFIPRQHL-WAZAZEMKSA-N 0 3 328.372 3.484 20 5 EGBDHN Cc1c([C@@H](C)NC[C@H](CC(C)C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000480272013 310892074 /nfs/dbraw/zinc/89/20/74/310892074.db2.gz BFWHKCLNSSJQDK-SJORKVTESA-N 0 3 349.475 3.301 20 5 EGBDHN COC(=O)c1ccc(CN(C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511121034 312155125 /nfs/dbraw/zinc/15/51/25/312155125.db2.gz JRHZABQIGLCGQQ-UHFFFAOYSA-N 0 3 328.368 3.056 20 5 EGBDHN COC(=O)c1ccccc1CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000511127861 312155464 /nfs/dbraw/zinc/15/54/64/312155464.db2.gz XIRGYXLYZXDRDW-UHFFFAOYSA-N 0 3 342.395 3.098 20 5 EGBDHN COC[C@H](Cc1ccccc1)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000539513314 314318624 /nfs/dbraw/zinc/31/86/24/314318624.db2.gz WJELSWOHROIMJJ-VTSXBNNFSA-N 0 3 326.396 3.455 20 5 EGBDHN COC[C@@H](Cc1ccccc1)NC/C=C\c1ccccc1[N+](=O)[O-] ZINC000539513313 314318744 /nfs/dbraw/zinc/31/87/44/314318744.db2.gz WJELSWOHROIMJJ-RLGIIYIFSA-N 0 3 326.396 3.455 20 5 EGBDHN Cc1cc(NC[C@@H](CCO)CC(C)C)c2cc([N+](=O)[O-])ccc2n1 ZINC000541189976 314440597 /nfs/dbraw/zinc/44/05/97/314440597.db2.gz NCZOEZCSBNYQHW-AWEZNQCLSA-N 0 3 331.416 3.330 20 5 EGBDHN CN(CCC(=O)c1ccc(F)cc1)CCc1cccc([N+](=O)[O-])c1 ZINC000548934183 315064101 /nfs/dbraw/zinc/06/41/01/315064101.db2.gz UIBQYNONDBJMGK-UHFFFAOYSA-N 0 3 330.359 3.481 20 5 EGBDHN COCCN1CC[C@H](Nc2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000549489485 315094201 /nfs/dbraw/zinc/09/42/01/315094201.db2.gz ASOFNADZJWSMLB-NSHDSACASA-N 0 3 347.337 3.055 20 5 EGBDHN CC[C@@H](C)[C@@H](C)N(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000554331059 315310422 /nfs/dbraw/zinc/31/04/22/315310422.db2.gz HZSHDIXPJFVNCS-ZIAGYGMSSA-N 0 3 345.443 3.383 20 5 EGBDHN Cc1cccc(C(C)(C)NC[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000182427307 323550574 /nfs/dbraw/zinc/55/05/74/323550574.db2.gz IQOBGJVRGQCTCP-INIZCTEOSA-N 0 3 344.411 3.168 20 5 EGBDHN O=[N+]([O-])c1ccc(-c2ccc(CNCCn3ccnc3)s2)cc1 ZINC000237989331 455242153 /nfs/dbraw/zinc/24/21/53/455242153.db2.gz GYBCTUJLJKMGKQ-UHFFFAOYSA-N 0 3 328.397 3.310 20 5 EGBDHN Cc1ccc([C@@H](CNC(=O)c2cc(C)ccc2[N+](=O)[O-])N(C)C)cc1 ZINC000173283989 455259133 /nfs/dbraw/zinc/25/91/33/455259133.db2.gz YUDKXWWYDVRFPY-GOSISDBHSA-N 0 3 341.411 3.244 20 5 EGBDHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000173436605 455283247 /nfs/dbraw/zinc/28/32/47/455283247.db2.gz JPKXUUVKMNBARH-UNEWFSDZSA-N 0 3 343.427 3.137 20 5 EGBDHN C[C@@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCS1 ZINC000190689272 455367699 /nfs/dbraw/zinc/36/76/99/455367699.db2.gz GDHMTDVZPWJXSZ-CYBMUJFWSA-N 0 3 346.456 3.323 20 5 EGBDHN CN(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000033040383 453901470 /nfs/dbraw/zinc/90/14/70/453901470.db2.gz NFERFIQXDOSCSH-MRXNPFEDSA-N 0 3 328.372 3.019 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 ZINC000067592507 453946470 /nfs/dbraw/zinc/94/64/70/453946470.db2.gz ILNGMWYCMPVOGL-CYBMUJFWSA-N 0 3 333.432 3.144 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]1c1ccc[nH]1 ZINC000067966724 453985128 /nfs/dbraw/zinc/98/51/28/453985128.db2.gz IQKVUWFMIZPZAB-KRWDZBQOSA-N 0 3 342.399 3.397 20 5 EGBDHN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCN1CCC(C)CC1 ZINC000085638249 454035562 /nfs/dbraw/zinc/03/55/62/454035562.db2.gz SWMLAZIQJYBWAQ-UHFFFAOYSA-N 0 3 334.420 3.065 20 5 EGBDHN CN(CCc1nc(-c2ccccc2)no1)Cc1ccc([N+](=O)[O-])cc1 ZINC000077271839 454083939 /nfs/dbraw/zinc/08/39/39/454083939.db2.gz VYBDPQNETISXOH-UHFFFAOYSA-N 0 3 338.367 3.319 20 5 EGBDHN Cc1nn(C)c(NC[C@H](c2ccc(C)cc2)N2CCCC2)c1[N+](=O)[O-] ZINC000057829691 454150370 /nfs/dbraw/zinc/15/03/70/454150370.db2.gz CUDMRRLCWGGKCI-MRXNPFEDSA-N 0 3 343.431 3.194 20 5 EGBDHN Cc1c([C@@H](C)N[C@H](C(=O)N2CCCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000089723233 454183275 /nfs/dbraw/zinc/18/32/75/454183275.db2.gz IXDQBNYEBZWIEL-PBHICJAKSA-N 0 3 333.432 3.201 20 5 EGBDHN CC(C)CN1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000089882526 454224790 /nfs/dbraw/zinc/22/47/90/454224790.db2.gz IZQIXVNBAYVJRH-UHFFFAOYSA-N 0 3 344.415 3.023 20 5 EGBDHN C[C@@H](N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000095968080 454242756 /nfs/dbraw/zinc/24/27/56/454242756.db2.gz KLHYEFPMIDSMDH-CJNGLKHVSA-N 0 3 339.395 3.330 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000089952880 454245934 /nfs/dbraw/zinc/24/59/34/454245934.db2.gz KVFFBHHWCBSJAE-IAGOWNOFSA-N 0 3 336.457 3.124 20 5 EGBDHN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)CCN1Cc1ccccc1 ZINC000078689250 454299453 /nfs/dbraw/zinc/29/94/53/454299453.db2.gz XBVPZZWYWKLCDQ-OAHLLOKOSA-N 0 3 326.400 3.091 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN2CCN(CC3CCCCC3)CC2)c1 ZINC000064130599 454468378 /nfs/dbraw/zinc/46/83/78/454468378.db2.gz KSPMMUIFPWFPSG-UHFFFAOYSA-N 0 3 347.459 3.172 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN2CC=C(c3ccc(O)cc3)CC2)cc1 ZINC000065209181 454537777 /nfs/dbraw/zinc/53/77/77/454537777.db2.gz FBSKFQCKWWTNTK-UHFFFAOYSA-N 0 3 340.379 3.469 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)N1CCC(C)CC1 ZINC000065302514 454551047 /nfs/dbraw/zinc/55/10/47/454551047.db2.gz YUMRMNARXXZARW-AWEZNQCLSA-N 0 3 334.420 3.145 20 5 EGBDHN Cc1cc(N2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000092642499 454598169 /nfs/dbraw/zinc/59/81/69/454598169.db2.gz BZSRTNDRYMFXEK-HZPDHXFCSA-N 0 3 347.459 3.229 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134863047 454599790 /nfs/dbraw/zinc/59/97/90/454599790.db2.gz OCWITYOQGKNKHN-RDTXWAMCSA-N 0 3 345.443 3.052 20 5 EGBDHN CC[C@@H](O)CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000124365549 454724174 /nfs/dbraw/zinc/72/41/74/454724174.db2.gz FIUNUXOIVWMJIT-GFCCVEGCSA-N 0 3 334.372 3.114 20 5 EGBDHN CCCCN1CCCC[C@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000161987159 454743122 /nfs/dbraw/zinc/74/31/22/454743122.db2.gz CWFKIZZLNVFUTR-HNNXBMFYSA-N 0 3 333.432 3.288 20 5 EGBDHN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCN2CCC[C@@H]2C1 ZINC000142029876 454833897 /nfs/dbraw/zinc/83/38/97/454833897.db2.gz MNIGNTQMOVXPCY-CQSZACIVSA-N 0 3 345.424 3.120 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000126921206 454926166 /nfs/dbraw/zinc/92/61/66/454926166.db2.gz NONJXBJLZNFASQ-GOEBONIOSA-N 0 3 345.443 3.345 20 5 EGBDHN COc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000168963993 454928799 /nfs/dbraw/zinc/92/87/99/454928799.db2.gz DCZGCSMRZLVQPY-XKQJLSEDSA-N 0 3 332.400 3.041 20 5 EGBDHN COc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1[N+](=O)[O-] ZINC000168964074 454928882 /nfs/dbraw/zinc/92/88/82/454928882.db2.gz DCZGCSMRZLVQPY-JQFCIGGWSA-N 0 3 332.400 3.041 20 5 EGBDHN Cc1ccccc1C[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000191564451 455498036 /nfs/dbraw/zinc/49/80/36/455498036.db2.gz PWABDNSJSXHNMF-WBVHZDCISA-N 0 3 328.412 3.466 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H](C)c1ccncc1 ZINC000127650338 454984880 /nfs/dbraw/zinc/98/48/80/454984880.db2.gz IDIBOSZAEQGYKS-AWEZNQCLSA-N 0 3 342.399 3.320 20 5 EGBDHN COc1ccccc1C(C)(C)NC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178868989 454986436 /nfs/dbraw/zinc/98/64/36/454986436.db2.gz UGMAOJKBDFZFBU-INIZCTEOSA-N 0 3 330.384 3.162 20 5 EGBDHN O=[N+]([O-])c1cccc(CN(C[C@H](O)Cc2ccccc2)C2CC2)c1 ZINC000155719167 455035665 /nfs/dbraw/zinc/03/56/65/455035665.db2.gz ZFBOIZYLSRMWKV-LJQANCHMSA-N 0 3 326.396 3.163 20 5 EGBDHN O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151926992 455050056 /nfs/dbraw/zinc/05/00/56/455050056.db2.gz QJVHCBQIECMJTM-NVXWUHKLSA-N 0 3 346.383 3.155 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CCN(C)C)Cc1ccco1 ZINC000156004786 455072124 /nfs/dbraw/zinc/07/21/24/455072124.db2.gz VOTBXKYKAIIALY-UHFFFAOYSA-N 0 3 346.387 3.092 20 5 EGBDHN Cc1c(NC(=O)N2CCN(C3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC000152434926 455118891 /nfs/dbraw/zinc/11/88/91/455118891.db2.gz QGVBVOPBYVVLOT-UHFFFAOYSA-N 0 3 346.431 3.385 20 5 EGBDHN Cc1cc(C)cc(OC[C@@H](O)CN[C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000180428694 455168284 /nfs/dbraw/zinc/16/82/84/455168284.db2.gz RJTQHRLXWWUSTL-QAPCUYQASA-N 0 3 344.411 3.302 20 5 EGBDHN COCCCOC1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182807951 455168707 /nfs/dbraw/zinc/16/87/07/455168707.db2.gz MEPTXCIXGPMGEY-OAHLLOKOSA-N 0 3 336.432 3.482 20 5 EGBDHN CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCC[C@@H]1O ZINC000180531784 455190821 /nfs/dbraw/zinc/19/08/21/455190821.db2.gz AZQLMEAQDXSECF-PBHICJAKSA-N 0 3 330.384 3.448 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)CC(C)(C)CN1CCOCC1 ZINC000182925828 455192013 /nfs/dbraw/zinc/19/20/13/455192013.db2.gz WZSJGZCFLGSEGB-MRXNPFEDSA-N 0 3 349.475 3.254 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000245443487 455301726 /nfs/dbraw/zinc/30/17/26/455301726.db2.gz IUBHXQGBCHRQGO-JKIFEVAISA-N 0 3 331.416 3.495 20 5 EGBDHN O=[N+]([O-])c1ccn(CCN[C@@H](c2ccccc2F)C2CCCC2)n1 ZINC000181487243 455342410 /nfs/dbraw/zinc/34/24/10/455342410.db2.gz MIFBONBMVGNTQV-QGZVFWFLSA-N 0 3 332.379 3.452 20 5 EGBDHN Cc1cc(NCCCOC[C@@H]2CCOC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000181506060 455345316 /nfs/dbraw/zinc/34/53/16/455345316.db2.gz XSLMMBKPHQFIAK-AWEZNQCLSA-N 0 3 345.399 3.307 20 5 EGBDHN CC(C)OC(=O)C[C@@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000184452818 455383266 /nfs/dbraw/zinc/38/32/66/455383266.db2.gz CZVBOWDUYTZIAQ-INIZCTEOSA-N 0 3 334.416 3.191 20 5 EGBDHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000184850977 455459901 /nfs/dbraw/zinc/45/99/01/455459901.db2.gz XRWPVEAMXKZNEX-HNNXBMFYSA-N 0 3 345.399 3.074 20 5 EGBDHN Cc1cccc([C@@H](C)NC[C@@H](O)COc2ccccc2[N+](=O)[O-])c1C ZINC000182426008 455511555 /nfs/dbraw/zinc/51/15/55/455511555.db2.gz BANCHPRQEWRSOB-HZPDHXFCSA-N 0 3 344.411 3.302 20 5 EGBDHN C[C@H](NCCOc1ccccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000292274976 455615617 /nfs/dbraw/zinc/61/56/17/455615617.db2.gz BIRJTPKCMWWBLY-YVEFUNNKSA-N 0 3 348.424 3.327 20 5 EGBDHN C[C@H](NCCOc1cccc([N+](=O)[O-])c1)[C@@H]1OCCc2sccc21 ZINC000292275235 455616050 /nfs/dbraw/zinc/61/60/50/455616050.db2.gz BJSZAOLUAYFRDQ-SJCJKPOMSA-N 0 3 348.424 3.327 20 5 EGBDHN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1cccc(N2CCOCC2)c1 ZINC000271501228 455661945 /nfs/dbraw/zinc/66/19/45/455661945.db2.gz QVDFKHSRIQYXTB-HNNXBMFYSA-N 0 3 341.411 3.282 20 5 EGBDHN C[C@@H](c1ccccc1)N(C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248374730 455708710 /nfs/dbraw/zinc/70/87/10/455708710.db2.gz SVDMQRWWHJYDCT-GOEBONIOSA-N 0 3 330.384 3.028 20 5 EGBDHN CC(=O)Nc1cccc([C@H](C)NCCc2ccccc2[N+](=O)[O-])c1 ZINC000268964620 455746810 /nfs/dbraw/zinc/74/68/10/455746810.db2.gz WRILAJOLOAHYMW-ZDUSSCGKSA-N 0 3 327.384 3.447 20 5 EGBDHN C[C@@H](N[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000285264037 455815041 /nfs/dbraw/zinc/81/50/41/455815041.db2.gz QNINJKNTVDAPMJ-RVPKQNPDSA-N 0 3 333.363 3.089 20 5 EGBDHN Cc1ccccc1NC(=O)CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285442839 455846220 /nfs/dbraw/zinc/84/62/20/455846220.db2.gz XSKPPKLTYQVFBI-UHFFFAOYSA-N 0 3 341.411 3.406 20 5 EGBDHN Cc1ccc(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)cc1[N+](=O)[O-] ZINC000187180058 455877445 /nfs/dbraw/zinc/87/74/45/455877445.db2.gz CLDZPFTUYNKENE-KDOFPFPSSA-N 0 3 341.411 3.324 20 5 EGBDHN CCS[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000286200709 455998852 /nfs/dbraw/zinc/99/88/52/455998852.db2.gz PZUWCYRLDNYMAC-TUKIKUTGSA-N 0 3 337.445 3.186 20 5 EGBDHN C[C@@H](CO)N(Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CCC1 ZINC000280569731 456001576 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CPRUWTBTSUMOTE-DTWKUNHWSA-N 0 3 349.250 3.324 20 5 EGBDHN C[C@@H](NCc1cc(Br)c([N+](=O)[O-])s1)[C@@H]1CCCOC1 ZINC000602602853 460019224 /nfs/dbraw/zinc/01/92/24/460019224.db2.gz CPRUWTBTSUMOTE-RKDXNWHRSA-N 0 3 349.250 3.324 20 5 EGBDHN Cc1ccc([C@H](CNc2c(Cl)cncc2[N+](=O)[O-])N(C)C)cc1 ZINC000589109663 460030904 /nfs/dbraw/zinc/03/09/04/460030904.db2.gz RCNMSUKMELGQEP-AWEZNQCLSA-N 0 3 334.807 3.088 20 5 EGBDHN COC(=O)C(C)(C)CCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602660537 460050280 /nfs/dbraw/zinc/05/02/80/460050280.db2.gz FIDORRLUPFTMPG-UHFFFAOYSA-N 0 3 348.321 3.293 20 5 EGBDHN O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2N[C@@H]2CCOc3ccccc32)n1 ZINC000618561690 460061937 /nfs/dbraw/zinc/06/19/37/460061937.db2.gz LXBGNKYARIRZTB-BZUAXINKSA-N 0 3 342.399 3.388 20 5 EGBDHN O=[N+]([O-])c1ccc(CCN2CCC[C@H](c3noc(C4CC4)n3)C2)cc1 ZINC000610248228 460098573 /nfs/dbraw/zinc/09/85/73/460098573.db2.gz YAHRRBQJOOKVDC-HNNXBMFYSA-N 0 3 342.399 3.277 20 5 EGBDHN Cc1cc(NCCn2cnc3ccccc32)c2cc([N+](=O)[O-])ccc2n1 ZINC000589567768 460103449 /nfs/dbraw/zinc/10/34/49/460103449.db2.gz XRCNWAKJMLRVRZ-UHFFFAOYSA-N 0 3 347.378 3.335 20 5 EGBDHN C[C@@H]1CCN(c2cccnc2[N+](=O)[O-])CCN1Cc1ccccc1 ZINC000610284399 460107838 /nfs/dbraw/zinc/10/78/38/460107838.db2.gz ZDDFOUDRSMCHRM-OAHLLOKOSA-N 0 3 326.400 3.091 20 5 EGBDHN COc1cccc([C@@H](CNCc2ccc(C)c([N+](=O)[O-])c2)OC)c1 ZINC000598987498 460118989 /nfs/dbraw/zinc/11/89/89/460118989.db2.gz ISKUTSYKKYSZBJ-GOSISDBHSA-N 0 3 330.384 3.389 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000602785506 460124211 /nfs/dbraw/zinc/12/42/11/460124211.db2.gz UPQIYMXVCWEPLS-MLGOLLRUSA-N 0 3 332.379 3.322 20 5 EGBDHN Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1cccc(OC(C)C)c1 ZINC000602795508 460129485 /nfs/dbraw/zinc/12/94/85/460129485.db2.gz NCRRVQMKDRAKOK-UHFFFAOYSA-N 0 3 332.404 3.019 20 5 EGBDHN CCC(C)(C)N1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000594389483 460203894 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Cc1ccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000604080009 460376326 /nfs/dbraw/zinc/37/63/26/460376326.db2.gz PFJLRDLAYXPSET-UHFFFAOYSA-N 0 3 348.447 3.489 20 5 EGBDHN COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H](C)c1ccsc1 ZINC000619783082 460442749 /nfs/dbraw/zinc/44/27/49/460442749.db2.gz OGSJSZYLGJCHHQ-NSHDSACASA-N 0 3 349.412 3.344 20 5 EGBDHN Cc1ncc([C@@H](C)N[C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000601298352 460779822 /nfs/dbraw/zinc/77/98/22/460779822.db2.gz MWFASDHKVNOPOU-WDEREUQCSA-N 0 3 348.428 3.428 20 5 EGBDHN CCN(CCN1CCCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000331985440 517646594 /nfs/dbraw/zinc/64/65/94/517646594.db2.gz LSPSCGDWWJLVGO-UHFFFAOYSA-N 0 3 333.432 3.241 20 5 EGBDHN CCOc1ccc([C@H](C)NC[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000154181657 528607022 /nfs/dbraw/zinc/60/70/22/528607022.db2.gz KEMKEFSLVCWPOA-WCQYABFASA-N 0 3 342.486 3.493 20 5 EGBDHN CCCN(C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCN(C)C1 ZINC000831421755 1292859273 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20 5 EGBDHN Cc1c(CNCc2ccc(N3CCOC3=O)cc2)cccc1[N+](=O)[O-] ZINC000873103267 1297272627 /nfs/dbraw/zinc/27/26/27/1297272627.db2.gz ZRFSBHULAWEEKL-UHFFFAOYSA-N 0 3 341.367 3.150 20 5 EGBDHN Cc1nn(CN2CC[C@@H](c3ccccc3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000749947815 1299308365 /nfs/dbraw/zinc/30/83/65/1299308365.db2.gz HSOBCFRMAGSWGR-OAHLLOKOSA-N 0 3 337.383 3.095 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C(F)(F)F)C1 ZINC000761058870 1301396000 /nfs/dbraw/zinc/39/60/00/1301396000.db2.gz USJDKAGTAWDVDM-NSHDSACASA-N 0 3 345.321 3.116 20 5 EGBDHN Cc1nnc([C@@H]2CCCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)[nH]1 ZINC000761532837 1301491483 /nfs/dbraw/zinc/49/14/83/1301491483.db2.gz HBFYMGDDMMMHFU-GFCCVEGCSA-N 0 3 335.795 3.054 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCNC(=O)c1ccc(F)cc1 ZINC000765310087 1302244151 /nfs/dbraw/zinc/24/41/51/1302244151.db2.gz JYUIENVMMCYRFL-ZDUSSCGKSA-N 0 3 345.374 3.123 20 5 EGBDHN C[C@H](Cc1cccc(F)c1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000775179214 1303920779 /nfs/dbraw/zinc/92/07/79/1303920779.db2.gz LRZPGUJMMROLNN-LLVKDONJSA-N 0 3 328.347 3.331 20 5 EGBDHN CN(Cc1cccc([N+](=O)[O-])c1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000775927400 1304061602 /nfs/dbraw/zinc/06/16/02/1304061602.db2.gz NJEWHYRHWDNMSZ-INIZCTEOSA-N 0 3 349.431 3.330 20 5 EGBDHN COC(=O)[C@H]1CCCC[C@]1(C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000775993257 1304075491 /nfs/dbraw/zinc/07/54/91/1304075491.db2.gz RXWGCCTVRGEAOK-CJNGLKHVSA-N 0 3 340.807 3.460 20 5 EGBDHN CN(CCCOc1ccc(F)cc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776274523 1304125589 /nfs/dbraw/zinc/12/55/89/1304125589.db2.gz DTUVZIXUKWXUDV-SFHVURJKSA-N 0 3 348.374 3.168 20 5 EGBDHN O=[N+]([O-])c1ccc([C@H](O)CN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000776280409 1304127394 /nfs/dbraw/zinc/12/73/94/1304127394.db2.gz ZHPNWFWRDHDBDC-GOSISDBHSA-N 0 3 330.359 3.432 20 5 EGBDHN COc1ccc(CN(C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000776581577 1304175568 /nfs/dbraw/zinc/17/55/68/1304175568.db2.gz KJXBUNQBIWYJBE-KRWDZBQOSA-N 0 3 330.384 3.077 20 5 EGBDHN C[C@H](c1ccccc1[N+](=O)[O-])N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777729149 1304340602 /nfs/dbraw/zinc/34/06/02/1304340602.db2.gz FWYFPZAHGHNJNG-ACJLOTCBSA-N 0 3 330.359 3.388 20 5 EGBDHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000790080064 1306258819 /nfs/dbraw/zinc/25/88/19/1306258819.db2.gz OJBNDQMTGPCSOY-GUYCJALGSA-N 0 3 344.415 3.133 20 5 EGBDHN COc1cc(NC[C@H]2N(C)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000790285012 1306290485 /nfs/dbraw/zinc/29/04/85/1306290485.db2.gz MGCXVBCPEHBBKP-MRXNPFEDSA-N 0 3 337.420 3.144 20 5 EGBDHN CC(C)(NCCOc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000795220040 1309699822 /nfs/dbraw/zinc/69/98/22/1309699822.db2.gz OMSFXJYANQYCGY-UHFFFAOYSA-N 0 3 345.355 3.407 20 5 EGBDHN O=[N+]([O-])c1ccc(N2CCN(CCCCC3CCOCC3)CC2)cc1 ZINC000799106900 1310486770 /nfs/dbraw/zinc/48/67/70/1310486770.db2.gz HRFFIEWEOWPMKS-UHFFFAOYSA-N 0 3 347.459 3.314 20 5 EGBDHN CCOC1CC(N(C)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000805820248 1317426840 /nfs/dbraw/zinc/42/68/40/1317426840.db2.gz IRRPRXFFCVMVBI-UHFFFAOYSA-N 0 3 343.221 3.357 20 5 EGBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])C1(NC(=O)OC(C)(C)C)CC1 ZINC000903112169 1317655883 /nfs/dbraw/zinc/65/58/83/1317655883.db2.gz FOWDAMSLRLIYEW-GFCCVEGCSA-N 0 3 335.404 3.130 20 5 EGBDHN C[C@H](CC(=O)N1CCCCCC1)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287464 1317683379 /nfs/dbraw/zinc/68/33/79/1317683379.db2.gz PGZZKZMQIJKDCW-HUUCEWRRSA-N 0 3 333.432 3.427 20 5 EGBDHN CC(COC(=O)Cc1csc(-c2ccc(Cl)s2)n1)[N+](=O)[O-] ZINC000813108309 1318500627 /nfs/dbraw/zinc/50/06/27/1318500627.db2.gz DBYMZCGEYJNLEE-ZETCQYMHSA-N 0 3 346.817 3.276 20 5 EGBDHN CC(COC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1)[N+](=O)[O-] ZINC000813107138 1318500386 /nfs/dbraw/zinc/50/03/86/1318500386.db2.gz KNKKFBHNJYVXLG-LLVKDONJSA-N 0 3 346.295 3.209 20 5 EGBDHN CC(COC(=O)c1ccc(Oc2ccncc2)c(Cl)c1)[N+](=O)[O-] ZINC000813110576 1318500988 /nfs/dbraw/zinc/50/09/88/1318500988.db2.gz DSIGUUBJNOTQLF-SNVBAGLBSA-N 0 3 336.731 3.349 20 5 EGBDHN CC(COC(=O)c1ccc2cc(Br)ccc2c1)[N+](=O)[O-] ZINC000813107668 1318501008 /nfs/dbraw/zinc/50/10/08/1318501008.db2.gz QCWBJRDEFSPVLU-SECBINFHSA-N 0 3 338.157 3.424 20 5 EGBDHN Cc1cccc(C(=O)Nc2ccccc2C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813115537 1318502228 /nfs/dbraw/zinc/50/22/28/1318502228.db2.gz USKYXNILXPZNLO-CYBMUJFWSA-N 0 3 342.351 3.069 20 5 EGBDHN CC(COC(=O)CCn1c2ccccc2c2ccccc21)[N+](=O)[O-] ZINC000813115172 1318502552 /nfs/dbraw/zinc/50/25/52/1318502552.db2.gz LWYRIVUJZAJZNO-CYBMUJFWSA-N 0 3 326.352 3.393 20 5 EGBDHN C[C@@H](N[C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000815579434 1319019268 /nfs/dbraw/zinc/01/92/68/1319019268.db2.gz MXBQEEYBGYKIOD-GHMZBOCLSA-N 0 3 343.387 3.079 20 5 EGBDHN COc1cccc(CN2CCC(Nc3cccnc3[N+](=O)[O-])CC2)c1 ZINC000917090811 1319754550 /nfs/dbraw/zinc/75/45/50/1319754550.db2.gz QQOSNZWMJIVWCG-UHFFFAOYSA-N 0 3 342.399 3.075 20 5 EGBDHN CCN1CCCC[C@@H]1CNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836674055 1320519342 /nfs/dbraw/zinc/51/93/42/1320519342.db2.gz IBBUUWAJMINVOY-GFCCVEGCSA-N 0 3 339.823 3.161 20 5 EGBDHN CC(C)Oc1cc(C(=O)O[C@@H](C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000845661826 1321730381 /nfs/dbraw/zinc/73/03/81/1321730381.db2.gz XOCPTUNPEFTDNR-ZDUSSCGKSA-N 0 3 336.388 3.023 20 5 EGBDHN CC([C@H](OC(=O)[C@H]1CCCCS1)c1ccccc1F)[N+](=O)[O-] ZINC000845873294 1321747282 /nfs/dbraw/zinc/74/72/82/1321747282.db2.gz CHUMWORXIFOYJK-HONMWMINSA-N 0 3 327.377 3.361 20 5 EGBDHN CC([C@H](OC(=O)C[C@H]1CCC(=O)[C@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000845883745 1321751224 /nfs/dbraw/zinc/75/12/24/1321751224.db2.gz VMIBJCLSKUUMHA-PXDYOCJYSA-N 0 3 337.347 3.081 20 5 EGBDHN C[C@@H](C(=O)OC[C@H](C)N1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000847963795 1321917567 /nfs/dbraw/zinc/91/75/67/1321917567.db2.gz SVCPFYXFYIRWAJ-QWHCGFSZSA-N 0 3 338.379 3.255 20 5 EGBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC[C@@H](O)c1c(F)cccc1F ZINC000848532504 1321971291 /nfs/dbraw/zinc/97/12/91/1321971291.db2.gz AWWBFCOKFDRCID-GOEBONIOSA-N 0 3 334.322 3.184 20 5 EGBDHN CC([C@H](OC(=O)CCCc1cccnc1)c1ccccc1F)[N+](=O)[O-] ZINC000851108029 1322336151 /nfs/dbraw/zinc/33/61/51/1322336151.db2.gz IATRNVVWYMRNQX-UGSOOPFHSA-N 0 3 346.358 3.493 20 5 EGBDHN Cc1c(CN2CCC[C@@](O)(c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000859584500 1329026472 /nfs/dbraw/zinc/02/64/72/1329026472.db2.gz UKIHCEUKCCUDOS-IBGZPJMESA-N 0 3 326.396 3.387 20 5 EGBDHN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2cc3c(s2)CCNC3)n1 ZINC000854138991 1325217207 /nfs/dbraw/zinc/21/72/07/1325217207.db2.gz BFTGMXSWQLWQFQ-UHFFFAOYSA-N 0 3 342.380 3.327 20 5 EGBDHN C[C@H](CN1CCC(C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000855902618 1325427151 /nfs/dbraw/zinc/42/71/51/1325427151.db2.gz IWPNPTCXOCTBKN-GFCCVEGCSA-N 0 3 339.823 3.098 20 5 EGBDHN CC([C@@H](OC(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccc1F)[N+](=O)[O-] ZINC000860854640 1329363237 /nfs/dbraw/zinc/36/32/37/1329363237.db2.gz FKHWSUPQXXGTBW-MZXFEWSRSA-N 0 3 333.315 3.472 20 5 EGBDHN CC([C@H](OC(=O)[C@H]1[C@@H](C)O[C@@H](C)[C@@H]1C)c1ccccc1F)[N+](=O)[O-] ZINC000860855013 1329363568 /nfs/dbraw/zinc/36/35/68/1329363568.db2.gz PAGAUYZEHIJITP-MTTTYWBQSA-N 0 3 339.363 3.135 20 5 EGBDHN CCc1ccc(-c2nc([C@H]3CN4CCC3CC4)no2)cc1[N+](=O)[O-] ZINC001325467558 1387984492 /nfs/dbraw/zinc/98/44/92/1387984492.db2.gz COUVHIOOEJQZCB-AWEZNQCLSA-N 0 3 328.372 3.016 20 5 EGBDHN CCCCCC(=O)N1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC001199334591 1369209311 /nfs/dbraw/zinc/20/93/11/1369209311.db2.gz FKLUKUZEVPCHCK-UHFFFAOYSA-N 0 3 339.461 3.317 20 5 EGBDHN F[C@@H]1CNCC[C@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001205220493 1370685277 /nfs/dbraw/zinc/68/52/77/1370685277.db2.gz XWMAOZUWNKPHNF-ZIAGYGMSSA-N 0 3 349.369 3.248 20 5 EGBDHN CCC[C@@H](NCc1c(C)c(C)n[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC001116467243 1370918364 /nfs/dbraw/zinc/91/83/64/1370918364.db2.gz WXZZBHXADMSTLS-MRXNPFEDSA-N 0 3 330.388 3.338 20 5 EGBDHN CN1CCN(Cc2ccc(Nc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC001206164753 1370977589 /nfs/dbraw/zinc/97/75/89/1370977589.db2.gz PUCPBOVZAPHNLN-UHFFFAOYSA-N 0 3 326.400 3.086 20 5 EGBDHN CN1CCN(Cc2ccc(Nc3cccc([N+](=O)[O-])c3F)cc2)CC1 ZINC001210380272 1372338521 /nfs/dbraw/zinc/33/85/21/1372338521.db2.gz RIVFZJKZJJDJMO-UHFFFAOYSA-N 0 3 344.390 3.225 20 5 EGBDHN Cc1c(Cl)cccc1C(=O)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001127876073 1373193827 /nfs/dbraw/zinc/19/38/27/1373193827.db2.gz RZUIHEIZDGJRMC-UHFFFAOYSA-N 0 3 347.802 3.076 20 5 EGBDHN O=c1c2ccc([O-])cc2oc2cc(O[C@@H]3C[NH+]4CCC3CC4)ccc21 ZINC001229515854 1375850245 /nfs/dbraw/zinc/85/02/45/1375850245.db2.gz IAKSXPVKRPTORP-LJQANCHMSA-N 0 3 337.375 3.125 20 5 EGBDHN CN1CC[C@@H](Oc2cc(C(F)(F)F)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC001233968585 1376746670 /nfs/dbraw/zinc/74/66/70/1376746670.db2.gz AJBPJQWEZRKOOW-SNVBAGLBSA-N 0 3 341.289 3.245 20 5 EGBDHN CC(C)(C(=O)NCCNCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC001135004549 1376839861 /nfs/dbraw/zinc/83/98/61/1376839861.db2.gz MRIAQEFIOMLYFL-UHFFFAOYSA-N 0 3 347.459 3.407 20 5 EGBDHN O=C(C=C1CCCCC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001155335471 1380438537 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CCOc1ccc(C(=O)O[C@@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC001345114347 1390838318 /nfs/dbraw/zinc/83/83/18/1390838318.db2.gz WHYFXRDMIYAIEH-BDJLRTHQSA-N 0 3 348.330 3.183 20 5 EGBDHN COC1CCN(CCNc2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1 ZINC001349993590 1391395708 /nfs/dbraw/zinc/39/57/08/1391395708.db2.gz ABYBBOLHBHJMSS-UHFFFAOYSA-N 0 3 347.337 3.136 20 5 EGBDHN Cc1ccc(C(=O)N(C)CCNCc2ccc([N+](=O)[O-])cc2)cc1C ZINC001753257810 1440343834 /nfs/dbraw/zinc/34/38/34/1440343834.db2.gz JXTYSEJLBLNJPE-UHFFFAOYSA-N 0 3 341.411 3.073 20 5 EGBDHN O=[N+]([O-])c1cccc(OCCN[C@H](CCCO)c2ccccc2)c1 ZINC000179735660 233381010 /nfs/dbraw/zinc/38/10/10/233381010.db2.gz HMENPSNMXJDVSK-GOSISDBHSA-N 0 3 330.384 3.077 20 5 EGBDHN Cc1ccc([C@H](C)NC(=O)[C@H](C)[C@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000262642630 245090146 /nfs/dbraw/zinc/09/01/46/245090146.db2.gz SJYAATJAVTVHBG-GLJUWKHASA-N 0 3 341.411 3.417 20 5 EGBDHN C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)N1CCC(C)CC1 ZINC000078650819 217094828 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Cc1ccc(CN2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1[N+](=O)[O-] ZINC000246799665 141034332 /nfs/dbraw/zinc/03/43/32/141034332.db2.gz QSHAKTOSSYRQOZ-FUHWJXTLSA-N 0 3 329.444 3.352 20 5 EGBDHN O=[N+]([O-])c1ccc(CNCCc2cc(C(F)(F)F)ccn2)cc1 ZINC000339481474 141121010 /nfs/dbraw/zinc/12/10/10/141121010.db2.gz MQBFQVRFPFUBAU-UHFFFAOYSA-N 0 3 325.290 3.341 20 5 EGBDHN CCCN(CCN1CCCCC1)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000342794986 141148761 /nfs/dbraw/zinc/14/87/61/141148761.db2.gz NAEQBPLKEDLOCD-UHFFFAOYSA-N 0 3 333.432 3.241 20 5 EGBDHN C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)[C@H](c1ccccc1)N(C)C ZINC000356235367 141324953 /nfs/dbraw/zinc/32/49/53/141324953.db2.gz SKVFJGDVVRZUKR-SJKOYZFVSA-N 0 3 345.374 3.155 20 5 EGBDHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000344705533 144211735 /nfs/dbraw/zinc/21/17/35/144211735.db2.gz KKCONIVFGSGOTD-AWEZNQCLSA-N 0 3 339.823 3.098 20 5 EGBDHN O=[N+]([O-])c1cc(CN[C@H]2CCOC2)ccc1Oc1ccc(F)cc1 ZINC000344846229 144230059 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Cc1cccc(C(=O)Nc2cccc(OCCN(C)C)c2)c1[N+](=O)[O-] ZINC000337215976 163165423 /nfs/dbraw/zinc/16/54/23/163165423.db2.gz HJUNPHHIZUCAPW-UHFFFAOYSA-N 0 3 343.383 3.096 20 5 EGBDHN CCN1CC[C@@H](N(C)C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000354400229 166013419 /nfs/dbraw/zinc/01/34/19/166013419.db2.gz QLIOHIHYRCGUHA-GXTWGEPZSA-N 0 3 345.399 3.286 20 5 EGBDHN CCO[C@@H]1C[C@@H](NCC(=O)Nc2ccccc2[N+](=O)[O-])C1(CC)CC ZINC000344109516 164105357 /nfs/dbraw/zinc/10/53/57/164105357.db2.gz SKPYEWDTAAKLNO-HZPDHXFCSA-N 0 3 349.431 3.107 20 5 EGBDHN COc1cc(CNC[C@@H](SC)C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000344337112 164160324 /nfs/dbraw/zinc/16/03/24/164160324.db2.gz TXECQWZFCCMTBE-OAHLLOKOSA-N 0 3 342.461 3.479 20 5 EGBDHN CC(C)n1cc2c(n1)C[C@H](NCc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000350252010 165022910 /nfs/dbraw/zinc/02/29/10/165022910.db2.gz OZLZFGFITHYTSO-CQSZACIVSA-N 0 3 332.379 3.158 20 5 EGBDHN CCN(Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000351332633 165097983 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EGBDHN Cc1c(CNC(=O)Nc2cccc(CN(C)C)c2)cccc1[N+](=O)[O-] ZINC000359080815 167061843 /nfs/dbraw/zinc/06/18/43/167061843.db2.gz KCXIRGUGTWNFJX-UHFFFAOYSA-N 0 3 342.399 3.287 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1C)c1ccco1 ZINC000359549428 167189605 /nfs/dbraw/zinc/18/96/05/167189605.db2.gz WDJCSTANXFSSTD-DOMZBBRYSA-N 0 3 345.399 3.355 20 5 EGBDHN CC[C@H](C)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000359561131 167194443 /nfs/dbraw/zinc/19/44/43/167194443.db2.gz QQHLRPKZUSCZPC-NHYWBVRUSA-N 0 3 349.362 3.186 20 5 EGBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H](N2CCCCC2)C1 ZINC000278461734 268018957 /nfs/dbraw/zinc/01/89/57/268018957.db2.gz SSBVDDJREVQFAO-LLVKDONJSA-N 0 3 344.337 3.073 20 5 EGBDHN O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CCN(c3ccccn3)C1)CCC2 ZINC000193048221 275038457 /nfs/dbraw/zinc/03/84/57/275038457.db2.gz VOUGHZZBIGJZMI-CRAIPNDOSA-N 0 3 338.411 3.236 20 5 EGBDHN O=[N+]([O-])c1cccc(F)c1CN1CCC[C@]1(CO)Cc1ccccc1 ZINC000355741568 275039316 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EGBDHN CCOc1cc(N2CCN(C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301733761 456201035 /nfs/dbraw/zinc/20/10/35/456201035.db2.gz ZBWOCTPOVNOIRV-UHFFFAOYSA-N 0 3 333.432 3.448 20 5 EGBDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000273207622 456214870 /nfs/dbraw/zinc/21/48/70/456214870.db2.gz AWDIVWOTTPTHHI-NSHDSACASA-N 0 3 339.823 3.051 20 5 EGBDHN O=C(CCN1CCC[C@@H]1c1ccc[nH]1)Nc1cc([N+](=O)[O-])ccc1F ZINC000273215095 456217117 /nfs/dbraw/zinc/21/71/17/456217117.db2.gz XIBATVLXYFJBLF-MRXNPFEDSA-N 0 3 346.362 3.228 20 5 EGBDHN C[C@H]1CN(C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000301814650 456221635 /nfs/dbraw/zinc/22/16/35/456221635.db2.gz GGBVPROSVUDAAZ-GXFFZTMASA-N 0 3 331.338 3.390 20 5 EGBDHN COCC(C)(C)CCCNCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000290203278 456266003 /nfs/dbraw/zinc/26/60/03/456266003.db2.gz UXSCNWBZNCWAMD-UHFFFAOYSA-N 0 3 340.420 3.154 20 5 EGBDHN CN(C)C[C@@H]1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)C1 ZINC000275675142 456282671 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CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C2CCCC2)CC1 ZINC000303186387 456449913 /nfs/dbraw/zinc/44/99/13/456449913.db2.gz DTQYKFBGXFAXQE-UHFFFAOYSA-N 0 3 347.459 3.442 20 5 EGBDHN CC(C)(C)[C@H]1NC(=O)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000353145710 456521544 /nfs/dbraw/zinc/52/15/44/456521544.db2.gz XJNOSIQDQXTVKZ-ZFWWWQNUSA-N 0 3 339.823 3.031 20 5 EGBDHN CC[C@@H](C)N[C@@H](CNc1c([N+](=O)[O-])nc(C)n1CC)c1ccco1 ZINC000340951382 456779455 /nfs/dbraw/zinc/77/94/55/456779455.db2.gz IUGJWIQWTZQZEH-YPMHNXCESA-N 0 3 335.408 3.254 20 5 EGBDHN Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cc2C)N2CCCC2)o1 ZINC000301179273 456814965 /nfs/dbraw/zinc/81/49/65/456814965.db2.gz HFDBXIZIIRGRFY-OAHLLOKOSA-N 0 3 330.388 3.449 20 5 EGBDHN CN(C)CCN(Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000349300813 456936190 /nfs/dbraw/zinc/93/61/90/456936190.db2.gz UMFFYQMDQGZVSM-UHFFFAOYSA-N 0 3 337.807 3.405 20 5 EGBDHN C[C@@]1(CO)CCC[C@H]1NCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339106887 456944073 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EGBDHN CC([C@H](OC(=O)CCCc1ccccn1)c1ccccc1F)[N+](=O)[O-] ZINC000845878221 1321749541 /nfs/dbraw/zinc/74/95/41/1321749541.db2.gz RTLCDPFLDRWGLE-ACJLOTCBSA-N 0 3 346.358 3.493 20 5 EGBDHN Cc1ccc(CC(=O)O[C@H](c2ccccc2F)C(C)[N+](=O)[O-])cn1 ZINC000845881868 1321750411 /nfs/dbraw/zinc/75/04/11/1321750411.db2.gz MPMYHHWLIYZWSF-PXAZEXFGSA-N 0 3 332.331 3.021 20 5 EGBDHN CCC(C)(C)N1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000847377598 1321867304 /nfs/dbraw/zinc/86/73/04/1321867304.db2.gz DHTTZAQSSMHICP-AWEZNQCLSA-N 0 3 348.447 3.172 20 5 EGBDHN C[C@@H](CNCc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)OC(C)(C)C ZINC000848925628 1322048088 /nfs/dbraw/zinc/04/80/88/1322048088.db2.gz AOVFKMQNMBANNQ-JTQLQIEISA-N 0 3 328.796 3.316 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@](C)(O)c1ccsc1 ZINC000850437423 1322249794 /nfs/dbraw/zinc/24/97/94/1322249794.db2.gz PBNRXMIXZNYYGU-BDJLRTHQSA-N 0 3 336.413 3.223 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)C[C@@H](O)c1ccco1 ZINC000850443440 1322251012 /nfs/dbraw/zinc/25/10/12/1322251012.db2.gz SFZROOMXNPYBEZ-SLEUVZQESA-N 0 3 334.372 3.359 20 5 EGBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@](C)(O)c1ccc(F)cc1 ZINC000850450233 1322251585 /nfs/dbraw/zinc/25/15/85/1322251585.db2.gz ZLUCKQDPQZHXAG-KZULUSFZSA-N 0 3 348.374 3.301 20 5 EGBDHN C[C@H](NC[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000850581493 1322272939 /nfs/dbraw/zinc/27/29/39/1322272939.db2.gz FSGXVLSEWGJIMN-BJOHPYRUSA-N 0 3 340.301 3.396 20 5 EGBDHN CC(C)(CCc1noc(-c2ccc(CN3CCCCC3)o2)n1)[N+](=O)[O-] ZINC000924077655 1322891952 /nfs/dbraw/zinc/89/19/52/1322891952.db2.gz QTWJMNVQXQYNMU-UHFFFAOYSA-N 0 3 348.403 3.303 20 5 EGBDHN CC[C@@H](CC(F)F)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000851714159 1323072953 /nfs/dbraw/zinc/07/29/53/1323072953.db2.gz FIQPXYBEJNBOQF-ZDUSSCGKSA-N 0 3 327.375 3.398 20 5 EGBDHN O=[N+]([O-])c1cn(CN2CCC[C@H]2C2CCCC2)nc1-c1ccccn1 ZINC000853491217 1325103724 /nfs/dbraw/zinc/10/37/24/1325103724.db2.gz LVIJOMKFNZDZLT-INIZCTEOSA-N 0 3 341.415 3.465 20 5 EGBDHN CN(C)[C@H](CNc1cc(F)c([N+](=O)[O-])cc1CO)c1ccsc1 ZINC000865435966 1329697210 /nfs/dbraw/zinc/69/72/10/1329697210.db2.gz WNDGWEAKQQNZFF-OAHLLOKOSA-N 0 3 339.392 3.003 20 5 EGBDHN O=C(NC[C@H]1C[C@@H](NCc2ccccc2[N+](=O)[O-])C1)C1CCCCC1 ZINC001086017009 1358966347 /nfs/dbraw/zinc/96/63/47/1358966347.db2.gz NBAKQVJWRSEORY-KDYLLFBJSA-N 0 3 345.443 3.160 20 5 EGBDHN F[C@@H]1CNCC[C@@H]1c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001205220492 1370684928 /nfs/dbraw/zinc/68/49/28/1370684928.db2.gz XWMAOZUWNKPHNF-UONOGXRCSA-N 0 3 349.369 3.248 20 5 EGBDHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Oc1ncccc1[N+](=O)[O-] ZINC001225595958 1375130003 /nfs/dbraw/zinc/13/00/03/1375130003.db2.gz NQFGBCFJBRGWCH-RHSMWYFYSA-N 0 3 327.384 3.279 20 5 EGBDHN COCCN1CCC(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC001225953287 1375179391 /nfs/dbraw/zinc/17/93/91/1375179391.db2.gz KEGVJCAZSWPIBX-UHFFFAOYSA-N 0 3 348.321 3.103 20 5 EGBDHN O=[N+]([O-])c1cnc(C(F)(F)F)cc1OC1CCN(C2CC2)CC1 ZINC001233746435 1376710399 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