smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000060515475 958317843 /nfs/dbraw/zinc/31/78/43/958317843.db2.gz ICUNBJSWBSEMBC-UHFFFAOYSA-N 0 0 240.284 2.286 10 5 BEBERN C=C(OCC)c1ncnc(Cl)c1[N+](=O)[O-] ZINC000685965313 538911472 /nfs/dbraw/zinc/91/14/72/538911472.db2.gz ZFPUPBMKNWXVIU-UHFFFAOYSA-N 0 0 229.623 2.045 10 5 BEBERN Cc1ccc(C=O)c([N+](=O)[O-])c1Br ZINC000307391565 398157761 /nfs/dbraw/zinc/15/77/61/398157761.db2.gz WLZNAAXHGZCGKP-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN Cc1cc(N[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000109548537 178189112 /nfs/dbraw/zinc/18/91/12/178189112.db2.gz SDZCZDJYTLAQBW-NSHDSACASA-N 0 0 236.271 2.494 10 5 BEBERN Cc1cc(N[C@@H]2C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000073000385 178184057 /nfs/dbraw/zinc/18/40/57/178184057.db2.gz KYHHHBRYFBKJRP-POYBYMJQSA-N 0 0 207.233 2.119 10 5 BEBERN Cc1cc([N+](=O)[O-])cnc1C(F)(F)F ZINC000116803497 178274227 /nfs/dbraw/zinc/27/42/27/178274227.db2.gz BLWZGNJEUPDTEV-UHFFFAOYSA-N 0 0 206.123 2.317 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@@H]1C ZINC000075510608 178270621 /nfs/dbraw/zinc/27/06/21/178270621.db2.gz OZZTYSAFDYYEGD-GZMMTYOYSA-N 0 0 234.255 2.041 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1-n1ccnc1 ZINC000034180610 178271015 /nfs/dbraw/zinc/27/10/15/178271015.db2.gz XHNFMVZNYHOHIK-UHFFFAOYSA-N 0 0 203.201 2.089 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1NC[C@@H](O)C(C)C ZINC000125136438 178272179 /nfs/dbraw/zinc/27/21/79/178272179.db2.gz FJUGXRIYQFYOEG-GFCCVEGCSA-N 0 0 238.287 2.332 10 5 BEBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@H]1C ZINC000052812920 178275447 /nfs/dbraw/zinc/27/54/47/178275447.db2.gz BURHXNKEFYVZLX-IMTBSYHQSA-N 0 0 207.233 2.119 10 5 BEBERN Cc1cc([N+](=O)[O-])cc2cc(C(=O)N(C)C)[nH]c21 ZINC000144275929 342727344 /nfs/dbraw/zinc/72/73/44/342727344.db2.gz MUFHQSJVVZPMBM-UHFFFAOYSA-N 0 0 247.254 2.086 10 5 BEBERN CCCN(C)c1cc([N+](=O)[O-])ccc1OC ZINC000115339999 398279920 /nfs/dbraw/zinc/27/99/20/398279920.db2.gz KDNKLSQBIULOEP-UHFFFAOYSA-N 0 0 224.260 2.450 10 5 BEBERN CCOC(=O)/C=C/c1ccc([N+](=O)[O-])c(C)c1 ZINC000146323996 342767680 /nfs/dbraw/zinc/76/76/80/342767680.db2.gz GEWAYYYQOBWOIL-FNORWQNLSA-N 0 0 235.239 2.480 10 5 BEBERN NNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000037291006 361883970 /nfs/dbraw/zinc/88/39/70/361883970.db2.gz HBCXEFFJRKVSGL-UHFFFAOYSA-N 0 0 222.031 2.187 10 5 BEBERN CCOC(=O)C(F)(F)c1cccc([N+](=O)[O-])c1 ZINC000147479905 342776649 /nfs/dbraw/zinc/77/66/49/342776649.db2.gz DOFQZLCPHBQYCC-UHFFFAOYSA-N 0 0 245.181 2.250 10 5 BEBERN CCOC(=O)Cc1cccc(C)c1[N+](=O)[O-] ZINC000309135450 342894057 /nfs/dbraw/zinc/89/40/57/342894057.db2.gz MDZZPTNMMMTBPN-UHFFFAOYSA-N 0 0 223.228 2.009 10 5 BEBERN C[C@@H]1CC(c2ccncc2[N+](=O)[O-])=C[C@H](O)C1 ZINC000116907080 342939019 /nfs/dbraw/zinc/93/90/19/342939019.db2.gz ZNLXEBMYIFPFSB-PSASIEDQSA-N 0 0 234.255 2.164 10 5 BEBERN O=[N+]([O-])c1cccc(-c2cncnc2)c1 ZINC000036467042 343014682 /nfs/dbraw/zinc/01/46/82/343014682.db2.gz JZCFTPSNSPKCLO-UHFFFAOYSA-N 0 0 201.185 2.052 10 5 BEBERN Nc1ccc2c(c1)c(=O)oc1cccc(O)c12 ZINC000144774293 343137856 /nfs/dbraw/zinc/13/78/56/343137856.db2.gz LAXWIPZEROPHAB-UHFFFAOYSA-N 0 0 227.219 2.234 10 5 BEBERN Cc1cc(N)c([N+](=O)[O-])cc1OC(F)(F)F ZINC000309365490 343333044 /nfs/dbraw/zinc/33/30/44/343333044.db2.gz AXYPRRWKDZAYOC-UHFFFAOYSA-N 0 0 236.149 2.384 10 5 BEBERN COc1c2ncsc2ccc1[N+](=O)[O-] ZINC000045236375 343526573 /nfs/dbraw/zinc/52/65/73/343526573.db2.gz NYDMHDUPENGRTO-UHFFFAOYSA-N 0 0 210.214 2.213 10 5 BEBERN O=[N+]([O-])c1cc([C@@H]2CCCC[NH2+]2)ccc1[O-] ZINC000309368767 347043728 /nfs/dbraw/zinc/04/37/28/347043728.db2.gz CIVIVRUQKIYSGC-VIFPVBQESA-N 0 0 222.244 2.115 10 5 BEBERN Cc1ccc(Br)c([N+](=O)[O-])c1N ZINC000220557771 344549538 /nfs/dbraw/zinc/54/95/38/344549538.db2.gz SXBGZRZTHZCRTI-UHFFFAOYSA-N 0 0 231.049 2.248 10 5 BEBERN O=[N+]([O-])c1ccc(CO[C@@H]2CCCCO2)o1 ZINC000000162103 344578779 /nfs/dbraw/zinc/57/87/79/344578779.db2.gz OHDHWVXJNNVQLR-SNVBAGLBSA-N 0 0 227.216 2.231 10 5 BEBERN O=[N+]([O-])c1c(F)c(F)ccc1OC(F)F ZINC000396127930 344610207 /nfs/dbraw/zinc/61/02/07/344610207.db2.gz SEUWWMYAZCEOMJ-UHFFFAOYSA-N 0 0 225.097 2.474 10 5 BEBERN Nc1cccc2[nH]c3ccccc3c(=O)c12 ZINC000005117496 344951122 /nfs/dbraw/zinc/95/11/22/344951122.db2.gz WBMPYOXBHLVYMK-UHFFFAOYSA-N 0 0 210.236 2.264 10 5 BEBERN CNc1ccc(Br)c([N+](=O)[O-])c1 ZINC000033806796 344951399 /nfs/dbraw/zinc/95/13/99/344951399.db2.gz BAKOIRMUBHHCTJ-UHFFFAOYSA-N 0 0 231.049 2.399 10 5 BEBERN Cc1cncc([N+](=O)[O-])c1OC(F)(F)F ZINC000238542063 345073420 /nfs/dbraw/zinc/07/34/20/345073420.db2.gz HWWNMHWUFDDDCH-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN CC(=O)O/C=C/c1ccccc1[N+](=O)[O-] ZINC000168875294 345824161 /nfs/dbraw/zinc/82/41/61/345824161.db2.gz DCSCRWGXNUBUOA-VOTSOKGWSA-N 0 0 207.185 2.129 10 5 BEBERN C=C/C=C/S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000220906477 345862264 /nfs/dbraw/zinc/86/22/64/345862264.db2.gz JKULBURBKDBMOB-FPYGCLRLSA-N 0 0 239.252 2.068 10 5 BEBERN CC(=O)OC/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000034586354 345834175 /nfs/dbraw/zinc/83/41/75/345834175.db2.gz DNCMVPBEKZKVLD-NSCUHMNNSA-N 0 0 221.212 2.171 10 5 BEBERN CC(=O)c1c(F)cc(F)cc1[N+](=O)[O-] ZINC000143621880 345907308 /nfs/dbraw/zinc/90/73/08/345907308.db2.gz GKMMAVQFUYVQJV-UHFFFAOYSA-N 0 0 201.128 2.076 10 5 BEBERN O=[N+]([O-])c1ccc(-c2nc(Cl)no2)s1 ZINC000236080680 346190851 /nfs/dbraw/zinc/19/08/51/346190851.db2.gz JWNLZXIUVRNIOU-UHFFFAOYSA-N 0 0 231.620 2.360 10 5 BEBERN CCCCCCCC[C@@H](O)C[N+](=O)[O-] ZINC000136749139 346296097 /nfs/dbraw/zinc/29/60/97/346296097.db2.gz NLKHGXNCSZJXRE-SNVBAGLBSA-N 0 0 203.282 2.375 10 5 BEBERN CC[C@@H]([C@@H](O)CCc1ccccc1)[N+](=O)[O-] ZINC000034504951 346556742 /nfs/dbraw/zinc/55/67/42/346556742.db2.gz WBXOUMYMGPQEIT-RYUDHWBXSA-N 0 0 223.272 2.035 10 5 BEBERN CCOc1cc(Cl)ncc1[N+](=O)[O-] ZINC000585672711 346652586 /nfs/dbraw/zinc/65/25/86/346652586.db2.gz RVLQTNXGIJWTHE-UHFFFAOYSA-N 0 0 202.597 2.042 10 5 BEBERN Cc1cccc(OCCCCCO)c1[N+](=O)[O-] ZINC000051020337 179165146 /nfs/dbraw/zinc/16/51/46/179165146.db2.gz FMYCUSSOBWHQRL-UHFFFAOYSA-N 0 0 239.271 2.445 10 5 BEBERN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])on1 ZINC000039387536 347189789 /nfs/dbraw/zinc/18/97/89/347189789.db2.gz MBGZJWZMDZQOBQ-UHFFFAOYSA-N 0 0 247.210 2.144 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1O[C@@H](C)[C@@H](C)O ZINC000128655841 179206217 /nfs/dbraw/zinc/20/62/17/179206217.db2.gz MGLBSTJJNCXXLC-BDAKNGLRSA-N 0 0 225.244 2.051 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCCOC1 ZINC000113197560 179206327 /nfs/dbraw/zinc/20/63/27/179206327.db2.gz RAWVJZRBRVMHKX-SNVBAGLBSA-N 0 0 236.271 2.494 10 5 BEBERN Nc1cccc(C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000196160690 347815436 /nfs/dbraw/zinc/81/54/36/347815436.db2.gz REMPPQJILDJCCE-UHFFFAOYSA-N 0 0 242.234 2.408 10 5 BEBERN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C ZINC000091301979 191025843 /nfs/dbraw/zinc/02/58/43/191025843.db2.gz APZOOKADPFQULP-UHFFFAOYSA-N 0 0 212.180 2.001 10 5 BEBERN O=[N+]([O-])c1ccc(F)c2c(Cl)n[nH]c21 ZINC000014985929 350225463 /nfs/dbraw/zinc/22/54/63/350225463.db2.gz ITNYWOIQCVFZQO-UHFFFAOYSA-N 0 0 215.571 2.264 10 5 BEBERN Cc1nn(C)c(N[C@@H](C)CC(C)C)c1[N+](=O)[O-] ZINC000036749346 180359021 /nfs/dbraw/zinc/35/90/21/180359021.db2.gz XIWIYFOMRJVNQD-QMMMGPOBSA-N 0 0 240.307 2.483 10 5 BEBERN CC(C)CN1Cc2cc([N+](=O)[O-])ccc2C1=O ZINC000725266684 538096531 /nfs/dbraw/zinc/09/65/31/538096531.db2.gz HMWXZFJUCZXWJP-UHFFFAOYSA-N 0 0 234.255 2.207 10 5 BEBERN O=C1c2ccc([N+](=O)[O-])cc2CN1C1CCC1 ZINC000725266699 538097008 /nfs/dbraw/zinc/09/70/08/538097008.db2.gz MBSPYSFTOXXVEA-UHFFFAOYSA-N 0 0 232.239 2.103 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1-c1nnc(N)s1 ZINC000034963939 351367261 /nfs/dbraw/zinc/36/72/61/351367261.db2.gz VHKRNUISLMMJHP-UHFFFAOYSA-N 0 0 236.256 2.004 10 5 BEBERN CC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000034973024 351370695 /nfs/dbraw/zinc/37/06/95/351370695.db2.gz MFFUGAWBBYNWFJ-MNOVXSKESA-N 0 0 205.213 2.287 10 5 BEBERN Cc1c(C=O)ccc(Br)c1[N+](=O)[O-] ZINC000307116614 351487783 /nfs/dbraw/zinc/48/77/83/351487783.db2.gz YVGRCIQASAFHOX-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN Cc1cc([N+](=O)[O-])c(CO)cc1Cl ZINC000307193867 351595136 /nfs/dbraw/zinc/59/51/36/351595136.db2.gz HMMMAXQACWGBSJ-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN Cn1cc(Nc2cccc(F)c2[N+](=O)[O-])cn1 ZINC000037420947 180661924 /nfs/dbraw/zinc/66/19/24/180661924.db2.gz SFWYNZQETMYVEM-UHFFFAOYSA-N 0 0 236.206 2.211 10 5 BEBERN Cc1cc(CO)c(Cl)c([N+](=O)[O-])c1 ZINC000307425209 352592782 /nfs/dbraw/zinc/59/27/82/352592782.db2.gz OZQNZGDOFJQFBR-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN O=[N+]([O-])c1c[nH]c(=S)cc1Br ZINC000307437256 352596687 /nfs/dbraw/zinc/59/66/87/352596687.db2.gz QDPUQMXCRJYVPQ-UHFFFAOYSA-N 0 0 235.062 2.041 10 5 BEBERN Cc1c(Br)c([N+](=O)[O-])ccc1CO ZINC000307445430 352601271 /nfs/dbraw/zinc/60/12/71/352601271.db2.gz FMRQQDCFVZNOTC-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN CCOc1c(F)ccc(F)c1[N+](=O)[O-] ZINC000307485946 352620804 /nfs/dbraw/zinc/62/08/04/352620804.db2.gz AMCYLBVCNJKMAN-UHFFFAOYSA-N 0 0 203.144 2.272 10 5 BEBERN O=[N+]([O-])c1ncn2c(Br)csc12 ZINC000203871340 188007839 /nfs/dbraw/zinc/00/78/39/188007839.db2.gz QCZNDIQCEHBYMW-UHFFFAOYSA-N 0 0 248.061 2.067 10 5 BEBERN O=[N+]([O-])c1cccc([C@@H]2CN3CCSC3=N2)c1 ZINC000000000547 188271722 /nfs/dbraw/zinc/27/17/22/188271722.db2.gz RFAYUIIWPKWNKY-JTQLQIEISA-N 0 0 249.295 2.054 10 5 in-man BEBERN C/C(=C/c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000002555894 188274675 /nfs/dbraw/zinc/27/46/75/188274675.db2.gz OERQCTVLGKJURQ-ALCCZGGFSA-N 0 0 208.173 2.232 10 5 BEBERN CC1(C)Cc2ccc([N+](=O)[O-])c([O-])c2O1 ZINC000039644845 188297374 /nfs/dbraw/zinc/29/73/74/188297374.db2.gz GZPODPMZTAPGRI-UHFFFAOYSA-N 0 0 209.201 2.014 10 5 BEBERN CSc1nccc(OC2CC2)c1[N+](=O)[O-] ZINC000095733750 188320422 /nfs/dbraw/zinc/32/04/22/188320422.db2.gz UZLVIOBHTPQJFI-UHFFFAOYSA-N 0 0 226.257 2.253 10 5 BEBERN C=CS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000035322389 357070151 /nfs/dbraw/zinc/07/01/51/357070151.db2.gz SDTGVYVSBNOSRT-UHFFFAOYSA-N 0 0 247.659 2.165 10 5 BEBERN Cc1ccc2ncc3c(sc(N)nc3=O)c2c1 ZINC000026507442 357159621 /nfs/dbraw/zinc/15/96/21/357159621.db2.gz PFNYQZIZORGEQB-UHFFFAOYSA-N 0 0 243.291 2.095 10 5 BEBERN O=[N+]([O-])C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000225124977 358246956 /nfs/dbraw/zinc/24/69/56/358246956.db2.gz KIRFYBFKHJNCOB-MRVPVSSYSA-N 0 0 236.054 2.304 10 5 BEBERN COc1ccc(C(=O)C[C@H](C)C[N+](=O)[O-])cc1 ZINC000584613401 358277616 /nfs/dbraw/zinc/27/76/16/358277616.db2.gz IEQKKDBTBSCBPX-VIFPVBQESA-N 0 0 237.255 2.181 10 5 BEBERN c1nc2ccc3cnnc4ccc(n1)c2c34 ZINC000584614355 358279050 /nfs/dbraw/zinc/27/90/50/358279050.db2.gz NJXCHMUBBZVKIU-UHFFFAOYSA-N 0 0 206.208 2.164 10 5 BEBERN O=[N+]([O-])c1ccccc1[C@@H](O)c1ccoc1 ZINC000584603905 358262546 /nfs/dbraw/zinc/26/25/46/358262546.db2.gz AXHSQANIHOUNQD-NSHDSACASA-N 0 0 219.196 2.270 10 5 BEBERN Cc1cc(Nc2ncccn2)ccc1[N+](=O)[O-] ZINC000584608310 358269176 /nfs/dbraw/zinc/26/91/76/358269176.db2.gz CCLHQWXXAVBVGP-UHFFFAOYSA-N 0 0 230.227 2.437 10 5 BEBERN C/C(=C\[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000584609716 358271349 /nfs/dbraw/zinc/27/13/49/358271349.db2.gz XDEIADAZNKSZOG-VOTSOKGWSA-N 0 0 208.173 2.232 10 5 BEBERN N=C1O[C@@H](c2cccc([N+](=O)[O-])c2)CS1 ZINC000584625114 358293904 /nfs/dbraw/zinc/29/39/04/358293904.db2.gz HENUKMUCVBSKRI-MRVPVSSYSA-N 0 0 224.241 2.334 10 5 BEBERN COc1cccc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000584639795 358325511 /nfs/dbraw/zinc/32/55/11/358325511.db2.gz RNJDSOKCQJHYQG-UHFFFAOYSA-N 0 0 231.211 2.060 10 5 BEBERN CC[C@H]([C@@H](O)c1ccc(C)cc1)[N+](=O)[O-] ZINC000039294761 358962552 /nfs/dbraw/zinc/96/25/52/358962552.db2.gz LMBGBTDJYTYMSV-MNOVXSKESA-N 0 0 209.245 2.084 10 5 BEBERN CCCNc1ccnc(Cl)c1[N+](=O)[O-] ZINC000306494307 360221752 /nfs/dbraw/zinc/22/17/52/360221752.db2.gz TZZCWSLKPNYALW-UHFFFAOYSA-N 0 0 215.640 2.465 10 5 BEBERN O=[N+]([O-])c1ccc(F)cc1NCCF ZINC000306543653 360412685 /nfs/dbraw/zinc/41/26/85/360412685.db2.gz SRJAIVAOAGMBAI-UHFFFAOYSA-N 0 0 202.160 2.115 10 5 BEBERN Cc1c(N)ccc([N+](=O)[O-])c1Br ZINC000306591872 360512202 /nfs/dbraw/zinc/51/22/02/360512202.db2.gz VYMUXDWCFJQYLG-UHFFFAOYSA-N 0 0 231.049 2.248 10 5 BEBERN COc1c(OC(F)F)cccc1[N+](=O)[O-] ZINC000238441250 361068179 /nfs/dbraw/zinc/06/81/79/361068179.db2.gz UYMHEOZWTZERBJ-UHFFFAOYSA-N 0 0 219.143 2.205 10 5 BEBERN Cc1ncc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000238485373 361114861 /nfs/dbraw/zinc/11/48/61/361114861.db2.gz WUSLXOQSOHXUHX-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN Cc1cc(OC(F)(F)F)c([N+](=O)[O-])cn1 ZINC000238493283 361128817 /nfs/dbraw/zinc/12/88/17/361128817.db2.gz IIHWIFKBNHRIJJ-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN Cc1cc([N+](=O)[O-])c(OC(F)(F)F)cn1 ZINC000238552579 361151736 /nfs/dbraw/zinc/15/17/36/361151736.db2.gz AWTWOESUQAVPSV-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(CO)c1Cl ZINC000306639492 361593299 /nfs/dbraw/zinc/59/32/99/361593299.db2.gz HVWYBYRMBNRESI-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN CCCCN(C)c1ccc([N+](=O)[O-])cc1CO ZINC000020468050 168785727 /nfs/dbraw/zinc/78/57/27/168785727.db2.gz ZLEUKLBQULDMFI-UHFFFAOYSA-N 0 0 238.287 2.323 10 5 BEBERN C[C@H]1C[C@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081589862 370901397 /nfs/dbraw/zinc/90/13/97/370901397.db2.gz MINMPMAVEUOACK-WRWORJQWSA-N 0 0 244.254 2.358 10 5 BEBERN CCOC(=O)C[C@H](C[N+](=O)[O-])c1ccsc1 ZINC000117856465 370977465 /nfs/dbraw/zinc/97/74/65/370977465.db2.gz ZUSSQACKXMCGFT-SECBINFHSA-N 0 0 243.284 2.062 10 5 BEBERN Nc1cc([N+](=O)[O-])ccc1NCC1CCC1 ZINC000052840472 181691465 /nfs/dbraw/zinc/69/14/65/181691465.db2.gz VADVOHRROMNUDL-UHFFFAOYSA-N 0 0 221.260 2.389 10 5 BEBERN CCC[C@H](NO)c1cccc([N+](=O)[O-])c1 ZINC000132142002 371757802 /nfs/dbraw/zinc/75/78/02/371757802.db2.gz HXPOSEDTSORYNF-JTQLQIEISA-N 0 0 210.233 2.415 10 5 BEBERN CC(=O)c1c(F)cc([N+](=O)[O-])cc1F ZINC000306801483 372069285 /nfs/dbraw/zinc/06/92/85/372069285.db2.gz RBQIBMSJAGYCSJ-UHFFFAOYSA-N 0 0 201.128 2.076 10 5 BEBERN C[C@@H]([C@@H](O)c1ccccc1Cl)[N+](=O)[O-] ZINC000038339382 372538486 /nfs/dbraw/zinc/53/84/86/372538486.db2.gz XRYIORWGGDIFOE-IMTBSYHQSA-N 0 0 215.636 2.039 10 5 BEBERN O=Cc1nc2cc([N+](=O)[O-])ccc2s1 ZINC000075844196 182876608 /nfs/dbraw/zinc/87/66/08/182876608.db2.gz GXIYWIUZJWQNCR-UHFFFAOYSA-N 0 0 208.198 2.017 10 5 BEBERN O=[N+]([O-])c1ccc(C2CCOCC2)cc1 ZINC000060168455 182928692 /nfs/dbraw/zinc/92/86/92/182928692.db2.gz RUUCRAHDKZKTKH-UHFFFAOYSA-N 0 0 207.229 2.489 10 5 BEBERN O=[N+]([O-])c1cccc([N+](=O)[O-])c1Br ZINC000085210520 182947920 /nfs/dbraw/zinc/94/79/20/182947920.db2.gz IXKSHNVIXFVYLF-UHFFFAOYSA-N 0 0 247.004 2.266 10 5 BEBERN O=[N+]([O-])c1cnn(-c2cc(F)cc(F)c2)c1 ZINC000090557902 182960549 /nfs/dbraw/zinc/96/05/49/182960549.db2.gz KMBCJIVFGFZXHF-UHFFFAOYSA-N 0 0 225.154 2.059 10 5 BEBERN O=[N+]([O-])c1cnc2c(Br)cccn12 ZINC000089202199 182958498 /nfs/dbraw/zinc/95/84/98/182958498.db2.gz QVWSYJTXGMBMSW-UHFFFAOYSA-N 0 0 242.032 2.005 10 5 BEBERN CCCN(CCO)c1cccc([N+](=O)[O-])c1C ZINC000062724604 169168808 /nfs/dbraw/zinc/16/88/08/169168808.db2.gz XLRZMVGJTYMMJT-UHFFFAOYSA-N 0 0 238.287 2.112 10 5 BEBERN C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])[C@H](C)CO ZINC000134959964 383853385 /nfs/dbraw/zinc/85/33/85/383853385.db2.gz ASOWVEDDEUNLCA-HTQZYQBOSA-N 0 0 242.250 2.163 10 5 BEBERN Cc1cnc(C(C)(C)C)c([N+](=O)[O-])c1N ZINC000091364351 384120937 /nfs/dbraw/zinc/12/09/37/384120937.db2.gz KBWWHFQAUQMZIN-UHFFFAOYSA-N 0 0 209.249 2.178 10 5 BEBERN Cc1cc(C=O)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575669062 384449007 /nfs/dbraw/zinc/44/90/07/384449007.db2.gz XURSKYVRZJZNMA-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN CCOc1cc(CO)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575665970 384436010 /nfs/dbraw/zinc/43/60/10/384436010.db2.gz JDGGNINSHUQWML-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN Cc1cc(OC(F)F)cc(C=O)c1[N+](=O)[O-] ZINC000575665994 384436633 /nfs/dbraw/zinc/43/66/33/384436633.db2.gz GHKXKCAAJIRVCE-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN COc1cc([N+](=O)[O-])c(C=O)cc1C(F)F ZINC000575670920 384460949 /nfs/dbraw/zinc/46/09/49/384460949.db2.gz FOCOFUCNVOEFOI-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN Cn1cccc/c1=N/c1ccc([N+](=O)[O-])cc1 ZINC000100545166 384647682 /nfs/dbraw/zinc/64/76/82/384647682.db2.gz TVEVGRGTUZEPBQ-SEYXRHQNSA-N 0 0 229.239 2.166 10 5 BEBERN CCOc1c(OC)cc([N+](=O)[O-])cc1C(C)=O ZINC000575698538 384711163 /nfs/dbraw/zinc/71/11/63/384711163.db2.gz WHJPTJDSGQJTOA-UHFFFAOYSA-N 0 0 239.227 2.205 10 5 BEBERN COC(=O)c1c(OC)ccc(Cl)c1[N+](=O)[O-] ZINC000575712699 384851273 /nfs/dbraw/zinc/85/12/73/384851273.db2.gz JYKOPSNKJOLOEQ-UHFFFAOYSA-N 0 0 245.618 2.043 10 5 BEBERN COc1c(C=O)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575730170 384925267 /nfs/dbraw/zinc/92/52/67/384925267.db2.gz VHIOXGMSWDNMHZ-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN Cc1cc(N2CC[C@](C)(F)C2)ncc1[N+](=O)[O-] ZINC000408048709 385178592 /nfs/dbraw/zinc/17/85/92/385178592.db2.gz OQYAIMGMRNLNOG-NSHDSACASA-N 0 0 239.250 2.237 10 5 BEBERN O=[N+]([O-])c1ccccc1[C@@H](O)c1ccccn1 ZINC000098209752 385207920 /nfs/dbraw/zinc/20/79/20/385207920.db2.gz JHJRZSMXOMQRFY-GFCCVEGCSA-N 0 0 230.223 2.072 10 5 BEBERN O=[N+]([O-])c1cccnc1NCCC1=CCOCC1 ZINC000158042077 385330114 /nfs/dbraw/zinc/33/01/14/385330114.db2.gz UYKYNBZPRGRINN-UHFFFAOYSA-N 0 0 249.270 2.139 10 5 BEBERN CCOC(=O)Cc1c(C)cccc1[N+](=O)[O-] ZINC000260152278 385713797 /nfs/dbraw/zinc/71/37/97/385713797.db2.gz RSJDQODWTOPHNA-UHFFFAOYSA-N 0 0 223.228 2.009 10 5 BEBERN O=[N+]([O-])c1cnccc1N[C@H]1CCCSC1 ZINC000129205796 385739232 /nfs/dbraw/zinc/73/92/32/385739232.db2.gz XHPPDINBWDOMEW-QMMMGPOBSA-N 0 0 239.300 2.297 10 5 BEBERN CCOc1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000058825972 386213504 /nfs/dbraw/zinc/21/35/04/386213504.db2.gz DRPUSJOUJCFJSL-SSDOTTSWSA-N 0 0 211.217 2.047 10 5 BEBERN CCC1=Cc2cccc([N+](=O)[O-])c2O[C@@H]1O ZINC000211674359 386198329 /nfs/dbraw/zinc/19/83/29/386198329.db2.gz XEBCHDVWFPOECY-NSHDSACASA-N 0 0 221.212 2.099 10 5 BEBERN C[C@H]1CCc2cc(F)cc([N+](=O)[O-])c2N1C=O ZINC000087493669 386474037 /nfs/dbraw/zinc/47/40/37/386474037.db2.gz SENWMNZMMQLMOW-ZETCQYMHSA-N 0 0 238.218 2.031 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H]2O)c1 ZINC000268028232 386771819 /nfs/dbraw/zinc/77/18/19/386771819.db2.gz JZIOZYHJAZRJAR-JOYOIKCWSA-N 0 0 236.271 2.229 10 5 BEBERN CCOC(=O)Cc1c(F)ccc(C)c1[N+](=O)[O-] ZINC000575397268 386998811 /nfs/dbraw/zinc/99/88/11/386998811.db2.gz INAZNPXWLIUBIC-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN O=[N+]([O-])c1cc(Cl)ccc1NC1(CO)CC1 ZINC000126580719 387030051 /nfs/dbraw/zinc/03/00/51/387030051.db2.gz OJHCXAXFQLWWNV-UHFFFAOYSA-N 0 0 242.662 2.185 10 5 BEBERN CCOc1c(O)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575657035 387043681 /nfs/dbraw/zinc/04/36/81/387043681.db2.gz INPHMXSHFMXWSY-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN CCc1ccc(OC(F)F)c([N+](=O)[O-])c1CO ZINC000575658826 387045332 /nfs/dbraw/zinc/04/53/32/387045332.db2.gz IPQBDGCJVRBGRY-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN COc1cc(OC(F)F)cc([N+](=O)[O-])c1F ZINC000575660953 387051683 /nfs/dbraw/zinc/05/16/83/387051683.db2.gz FAKQHCDQFPFOIW-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN COc1cc(F)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575660908 387054206 /nfs/dbraw/zinc/05/42/06/387054206.db2.gz CTVBOALAXZRAEP-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN CCCNc1nc(C)c(C)cc1[N+](=O)[O-] ZINC000575434379 387057842 /nfs/dbraw/zinc/05/78/42/387057842.db2.gz SJAZUCTYWFOCBJ-UHFFFAOYSA-N 0 0 209.249 2.429 10 5 BEBERN O=[N+]([O-])c1ccc2c(ccn2C2COC2)c1 ZINC000575434004 387058612 /nfs/dbraw/zinc/05/86/12/387058612.db2.gz BPIPLYUFPVROLK-UHFFFAOYSA-N 0 0 218.212 2.121 10 5 BEBERN O=Cc1c(F)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575661393 387059565 /nfs/dbraw/zinc/05/95/65/387059565.db2.gz OIOASDKNPRSIJX-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN O=Cc1cc(F)cc([N+](=O)[O-])c1OC(F)F ZINC000575661684 387111640 /nfs/dbraw/zinc/11/16/40/387111640.db2.gz TXNMIZBSQAACNU-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN O=Cc1c(OC(F)F)c(F)ccc1[N+](=O)[O-] ZINC000575661707 387112252 /nfs/dbraw/zinc/11/22/52/387112252.db2.gz UWXWXBFCISYEKE-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN COc1cc([N+](=O)[O-])c(F)cc1OC(F)F ZINC000575661677 387113207 /nfs/dbraw/zinc/11/32/07/387113207.db2.gz SVKPHAWHWJRNIM-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN COc1cc(C=O)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575664630 387311451 /nfs/dbraw/zinc/31/14/51/387311451.db2.gz KGTZCOKVSOMSFK-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN Cc1cc(C=O)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575665999 387312260 /nfs/dbraw/zinc/31/22/60/387312260.db2.gz GHYYKKRKYAEFDV-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN COc1c([N+](=O)[O-])ccc(C)c1C(C)=O ZINC000575675595 387355545 /nfs/dbraw/zinc/35/55/45/387355545.db2.gz WGXTWRCUDZMDCJ-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN O=[N+]([O-])c1ccc([C@@H]2C[C@@H]2[C@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000575602478 387369940 /nfs/dbraw/zinc/36/99/40/387369940.db2.gz PVIUPUUTGBJEJK-NNYUYHANSA-N 0 0 248.238 2.364 10 5 BEBERN O=[N+]([O-])/C=C/[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000575602564 387372572 /nfs/dbraw/zinc/37/25/72/387372572.db2.gz TUUXLMQPJVHVLN-WUIGSMQYSA-N 0 0 234.211 2.489 10 5 BEBERN O=[N+]([O-])/C=C/[C@@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000575602563 387373768 /nfs/dbraw/zinc/37/37/68/387373768.db2.gz TUUXLMQPJVHVLN-PFLKOTLJSA-N 0 0 234.211 2.489 10 5 BEBERN Cc1cc(OC(F)F)c(O)c([N+](=O)[O-])c1 ZINC000575667090 387319628 /nfs/dbraw/zinc/31/96/28/387319628.db2.gz KIEHSPSUGNCQPP-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(OC(F)F)c1C=O ZINC000575668244 387324856 /nfs/dbraw/zinc/32/48/56/387324856.db2.gz SXDVBANPUKHYQL-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN COc1cc(C(F)F)c(O)cc1[N+](=O)[O-] ZINC000575668718 387326386 /nfs/dbraw/zinc/32/63/86/387326386.db2.gz MRHJDQZHNINHDA-UHFFFAOYSA-N 0 0 219.143 2.247 10 5 BEBERN O=[N+]([O-])c1c(F)cc(C(F)F)cc1CO ZINC000575669679 387329924 /nfs/dbraw/zinc/32/99/24/387329924.db2.gz JGIWCOUYDSYONL-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN CCOC(=O)c1cc([N+](=O)[O-])cc(OC)c1C ZINC000575673702 387342612 /nfs/dbraw/zinc/34/26/12/387342612.db2.gz MMVFBAUVWAVIQB-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN CC(=O)c1c(N)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575719436 387428420 /nfs/dbraw/zinc/42/84/20/387428420.db2.gz CNHZKZYWLHYVJD-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN CC(=O)c1cc([N+](=O)[O-])cc(N)c1Cl ZINC000575716242 387432264 /nfs/dbraw/zinc/43/22/64/387432264.db2.gz OUWZBGWIQJQHIG-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1cc(Cl)c([N+](=O)[O-])cc1N ZINC000575716614 387433462 /nfs/dbraw/zinc/43/34/62/387433462.db2.gz TXCZOGWPPWCVTM-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1cc([N+](=O)[O-])c(C(F)(F)F)cc1N ZINC000575720261 387441409 /nfs/dbraw/zinc/44/14/09/387441409.db2.gz SSNNCHUISLSCMG-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN Cc1cc([N+](=O)[O-])cc(OC(F)F)c1N ZINC000575721676 387444875 /nfs/dbraw/zinc/44/48/75/387444875.db2.gz WQJXAQQDPWFGOL-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Nc1cc(OC(F)F)c([N+](=O)[O-])cc1Cl ZINC000575722923 387446702 /nfs/dbraw/zinc/44/67/02/387446702.db2.gz WPCAXJOGELUOGG-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN CCOc1c(OC)cc(C)cc1[N+](=O)[O-] ZINC000575698821 387393262 /nfs/dbraw/zinc/39/32/62/387393262.db2.gz KYZQMWFZBWCOLC-UHFFFAOYSA-N 0 0 211.217 2.311 10 5 BEBERN CCOc1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000575694787 387394661 /nfs/dbraw/zinc/39/46/61/387394661.db2.gz CAXAOLBMLLVTBX-UHFFFAOYSA-N 0 0 227.216 2.011 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(O)c1CC ZINC000575695330 387395578 /nfs/dbraw/zinc/39/55/78/387395578.db2.gz HTGUCSHZZATVIJ-UHFFFAOYSA-N 0 0 211.217 2.262 10 5 BEBERN CCOc1ccc(OC)c([N+](=O)[O-])c1OC ZINC000575696879 387396735 /nfs/dbraw/zinc/39/67/35/387396735.db2.gz SZBGRWZDUAFPRP-UHFFFAOYSA-N 0 0 227.216 2.011 10 5 BEBERN CCOc1c([N+](=O)[O-])ccc(C)c1OC ZINC000575699254 387401527 /nfs/dbraw/zinc/40/15/27/387401527.db2.gz RYBNOYASZWPVOV-UHFFFAOYSA-N 0 0 211.217 2.311 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(C)cc1C=O ZINC000575698884 387401656 /nfs/dbraw/zinc/40/16/56/387401656.db2.gz NEPFITKPNQLCAA-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN COc1ccc(F)c(SC)c1[N+](=O)[O-] ZINC000575707857 387411991 /nfs/dbraw/zinc/41/19/91/387411991.db2.gz GQLCBHBJTFOABA-UHFFFAOYSA-N 0 0 217.221 2.464 10 5 BEBERN COc1cc(F)c([N+](=O)[O-])cc1SC ZINC000575708319 387412589 /nfs/dbraw/zinc/41/25/89/387412589.db2.gz MUXIBYKRXCPVSF-UHFFFAOYSA-N 0 0 217.221 2.464 10 5 BEBERN CSc1cc(F)cc([N+](=O)[O-])c1C=O ZINC000575708281 387412762 /nfs/dbraw/zinc/41/27/62/387412762.db2.gz CGBIUWRQUKLFET-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN COC(=O)c1c(Cl)c(OC)ccc1[N+](=O)[O-] ZINC000575713195 387416286 /nfs/dbraw/zinc/41/62/86/387416286.db2.gz RAEXRXZUFUVYEI-UHFFFAOYSA-N 0 0 245.618 2.043 10 5 BEBERN COc1cc([N+](=O)[O-])c(C(F)(F)F)cc1C=O ZINC000575730061 387467635 /nfs/dbraw/zinc/46/76/35/387467635.db2.gz RRIZWKMNNKZEHT-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1ccc(N)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000575730012 387467738 /nfs/dbraw/zinc/46/77/38/387467738.db2.gz QKFLPFWTEIJOLY-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1cc(C=O)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575730306 387469599 /nfs/dbraw/zinc/46/95/99/387469599.db2.gz MWEGXBKSXUWHKV-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN O=C(c1cccc([N+](=O)[O-])c1)C(F)F ZINC000238520281 387870379 /nfs/dbraw/zinc/87/03/79/387870379.db2.gz UPTVURGJGGNSAF-UHFFFAOYSA-N 0 0 201.128 2.043 10 5 BEBERN COc1cc(OC)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575653174 387894987 /nfs/dbraw/zinc/89/49/87/387894987.db2.gz ZCZUWLRXBYONCZ-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN COC[C@H](C)N(C)c1cc(F)ccc1[N+](=O)[O-] ZINC000302787211 388345479 /nfs/dbraw/zinc/34/54/79/388345479.db2.gz AEFOPDZSMWXHFM-QMMMGPOBSA-N 0 0 242.250 2.205 10 5 BEBERN Cc1c(C(=O)N[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000171068372 388400940 /nfs/dbraw/zinc/40/09/40/388400940.db2.gz IJMNBSFXDRZHMO-OIBJUYFYSA-N 0 0 234.255 2.041 10 5 BEBERN CCn1ccnc1COc1ccc([N+](=O)[O-])cc1 ZINC000195516680 388476312 /nfs/dbraw/zinc/47/63/12/388476312.db2.gz LGHCPQUEUFPRQX-UHFFFAOYSA-N 0 0 247.254 2.390 10 5 BEBERN CSCCOc1ccc([N+](=O)[O-])cc1C=O ZINC000135822008 388509774 /nfs/dbraw/zinc/50/97/74/388509774.db2.gz BYVKBUBRBDLLJJ-UHFFFAOYSA-N 0 0 241.268 2.149 10 5 BEBERN Cn1cc(Oc2ccccc2[N+](=O)[O-])cn1 ZINC000302356691 388683897 /nfs/dbraw/zinc/68/38/97/388683897.db2.gz ZGRMNNJEAXJDHX-UHFFFAOYSA-N 0 0 219.200 2.121 10 5 BEBERN COCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000095930406 388789601 /nfs/dbraw/zinc/78/96/01/388789601.db2.gz WKNPDJRAIVUWDG-UHFFFAOYSA-N 0 0 201.609 2.395 10 5 BEBERN CCCCNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302073957 388836890 /nfs/dbraw/zinc/83/68/90/388836890.db2.gz WXXSBTQKCBQUMX-UHFFFAOYSA-N 0 0 224.260 2.299 10 5 BEBERN Cc1cccc(N[C@H](C)[C@H](C)CO)c1[N+](=O)[O-] ZINC000218858692 134265279 /nfs/dbraw/zinc/26/52/79/134265279.db2.gz VIIIOABLBXSFQX-NXEZZACHSA-N 0 0 238.287 2.332 10 5 BEBERN O=Cc1ccc([N+](=O)[O-])c(Br)c1F ZINC000306893798 397945356 /nfs/dbraw/zinc/94/53/56/397945356.db2.gz JXUXKQDJLXYTIZ-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN O=[N+]([O-])c1ccc(C(F)(F)F)c(CO)c1 ZINC000238723210 397960838 /nfs/dbraw/zinc/96/08/38/397960838.db2.gz XQKFVQCKKWWJNY-UHFFFAOYSA-N 0 0 221.134 2.106 10 5 BEBERN Cc1ccc(Br)c(C=O)c1[N+](=O)[O-] ZINC000307027795 397974454 /nfs/dbraw/zinc/97/44/54/397974454.db2.gz MCHKCZFNGBEKTI-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN CCOc1cnc2[nH]cc([N+](=O)[O-])c2c1F ZINC000095937021 398055955 /nfs/dbraw/zinc/05/59/55/398055955.db2.gz MYWQJEBBAUUJQV-UHFFFAOYSA-N 0 0 225.179 2.009 10 5 BEBERN CC(C)CNc1ccc(O)cc1[N+](=O)[O-] ZINC000037162523 167017082 /nfs/dbraw/zinc/01/70/82/167017082.db2.gz DJQVAERCCXLNFV-UHFFFAOYSA-N 0 0 210.233 2.368 10 5 BEBERN Cc1cc(-c2cccnc2)ncc1[N+](=O)[O-] ZINC000047214253 411117740 /nfs/dbraw/zinc/11/77/40/411117740.db2.gz WMRKLFBOOLQJKN-UHFFFAOYSA-N 0 0 215.212 2.360 10 5 BEBERN CCN(CC)c1ccc([C@H](C)O)cc1[N+](=O)[O-] ZINC000035631083 169804678 /nfs/dbraw/zinc/80/46/78/169804678.db2.gz IEDLZEFZDDTYSX-VIFPVBQESA-N 0 0 238.287 2.494 10 5 BEBERN CCOC(=O)c1cc([N+](=O)[O-])cc(N)c1Cl ZINC000062350428 170293058 /nfs/dbraw/zinc/29/30/58/170293058.db2.gz TUGTWMQVCQBCMZ-UHFFFAOYSA-N 0 0 244.634 2.007 10 5 BEBERN CC[C@@H](C)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1N ZINC000043670967 170774970 /nfs/dbraw/zinc/77/49/70/170774970.db2.gz HDNLKKMWJDGVFS-HTRCEHHLSA-N 0 0 226.280 2.289 10 5 BEBERN CCc1c(OC2CC2)ccnc1[N+](=O)[O-] ZINC000095726995 171744729 /nfs/dbraw/zinc/74/47/29/171744729.db2.gz IIHBQAMGAHYDAZ-UHFFFAOYSA-N 0 0 208.217 2.093 10 5 BEBERN CCc1cnc([N+](=O)[O-])c(OC2CC2)c1 ZINC000095722842 171920180 /nfs/dbraw/zinc/92/01/80/171920180.db2.gz ZGOGUCDXPZSMBR-UHFFFAOYSA-N 0 0 208.217 2.093 10 5 BEBERN CCc1nc([N+](=O)[O-])ccc1OC1CC1 ZINC000095713293 172009647 /nfs/dbraw/zinc/00/96/47/172009647.db2.gz SLFAMZMZBJUHSC-UHFFFAOYSA-N 0 0 208.217 2.093 10 5 BEBERN CCn1c(=N)ccc2nc3ccccc3nc21 ZINC000100978823 172130991 /nfs/dbraw/zinc/13/09/91/172130991.db2.gz RTLMNENKMMRYGU-UHFFFAOYSA-N 0 0 224.267 2.084 10 5 BEBERN CN(C)c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC000028765092 172563016 /nfs/dbraw/zinc/56/30/16/172563016.db2.gz RQOATCWTNUHTPB-UHFFFAOYSA-N 0 0 217.228 2.209 10 5 BEBERN COC(=O)c1cc([N+](=O)[O-])cc(F)c1Cl ZINC000165052733 173861666 /nfs/dbraw/zinc/86/16/66/173861666.db2.gz DJPLMIZXZBMLBL-UHFFFAOYSA-N 0 0 233.582 2.174 10 5 BEBERN COc1c(C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000001559712 174924420 /nfs/dbraw/zinc/92/44/20/174924420.db2.gz UGYYNQQCXKTZFO-UHFFFAOYSA-N 0 0 226.188 2.128 10 5 BEBERN COc1ccc(NC(C)C)c([N+](=O)[O-])c1 ZINC000019232995 175149723 /nfs/dbraw/zinc/14/97/23/175149723.db2.gz JWSKBTNBYDDKTG-UHFFFAOYSA-N 0 0 210.233 2.424 10 5 BEBERN COc1ccc([N+](=O)[O-])cc1C[C@@H](C)C(C)=O ZINC000037947238 175200812 /nfs/dbraw/zinc/20/08/12/175200812.db2.gz GLTDOZFDCQQQTP-MRVPVSSYSA-N 0 0 237.255 2.371 10 5 BEBERN C[C@@H]1C[C@@H]1CN(C)c1ccc([N+](=O)[O-])cc1C=O ZINC000104425229 176391893 /nfs/dbraw/zinc/39/18/93/176391893.db2.gz SMIJCKALWFNOGZ-NXEZZACHSA-N 0 0 248.282 2.500 10 5 BEBERN C[C@H](O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000087138746 177012338 /nfs/dbraw/zinc/01/23/38/177012338.db2.gz MTQYCPMIROROJW-BQBZGAKWSA-N 0 0 245.662 2.396 10 5 BEBERN C[C@H](O)[C@H](C)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000087139199 177012626 /nfs/dbraw/zinc/01/26/26/177012626.db2.gz JEWORZQXRVBSNY-BQBZGAKWSA-N 0 0 245.662 2.396 10 5 BEBERN C[C@H]1CCC[C@@H](n2ncc([N+](=O)[O-])c2N)C1 ZINC000043669443 177123533 /nfs/dbraw/zinc/12/35/33/177123533.db2.gz XWURHPRNZDRAMZ-JGVFFNPUSA-N 0 0 224.264 2.125 10 5 BEBERN C[C@H]1C[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000122197296 177345440 /nfs/dbraw/zinc/34/54/40/177345440.db2.gz WEKPWAPKEPVTTG-JGVFFNPUSA-N 0 0 207.233 2.058 10 5 BEBERN O=[N+]([O-])c1cccc(N=S2(=O)CCCC2)c1 ZINC000536958071 323969623 /nfs/dbraw/zinc/96/96/23/323969623.db2.gz ULADWJAICPLCMF-UHFFFAOYSA-N 0 0 240.284 2.488 10 5 BEBERN COCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000033994699 536895131 /nfs/dbraw/zinc/89/51/31/536895131.db2.gz XBTKUKLVUPZNQB-UHFFFAOYSA-N 0 0 247.254 2.201 10 5 BEBERN Cc1cc(N[C@@H](C)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000309942257 632686087 /nfs/dbraw/zinc/68/60/87/632686087.db2.gz BZBMOVNCGBEJQG-IUCAKERBSA-N 0 0 224.260 2.084 10 5 BEBERN COC1CC(Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000230601169 632828080 /nfs/dbraw/zinc/82/80/80/632828080.db2.gz IFRFZNHMGSWAJN-UHFFFAOYSA-N 0 0 236.271 2.493 10 5 BEBERN COC1CC(Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000230602133 632828722 /nfs/dbraw/zinc/82/87/22/632828722.db2.gz QAMBCJKGAOXEDH-UHFFFAOYSA-N 0 0 236.271 2.493 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H](C)O)c1 ZINC000309945316 633967766 /nfs/dbraw/zinc/96/77/66/633967766.db2.gz DECOOOKNTUPXGN-DTWKUNHWSA-N 0 0 224.260 2.084 10 5 BEBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)O ZINC000309959056 633984703 /nfs/dbraw/zinc/98/47/03/633984703.db2.gz KCLKNJDLTGWYNS-RQJHMYQMSA-N 0 0 244.678 2.429 10 5 BEBERN CC(=O)c1cc([N+](=O)[O-])c(-n2ccnc2)s1 ZINC000082330630 643301697 /nfs/dbraw/zinc/30/16/97/643301697.db2.gz BCAMDHKVSSOHAE-UHFFFAOYSA-N 0 0 237.240 2.045 10 5 BEBERN Cc1ccc(OC(=O)C2CC2)c([N+](=O)[O-])c1 ZINC000060733951 711542695 /nfs/dbraw/zinc/54/26/95/711542695.db2.gz UZZIYSASNKQYLM-UHFFFAOYSA-N 0 0 221.212 2.219 10 5 BEBERN CSC1CC(Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000708250731 712184944 /nfs/dbraw/zinc/18/49/44/712184944.db2.gz YRPPVYIPAOPYPG-UHFFFAOYSA-N 0 0 239.300 2.296 10 5 BEBERN O=C(O[C@@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000005103623 712696287 /nfs/dbraw/zinc/69/62/87/712696287.db2.gz SZTHAWZHGAJPPC-LLVKDONJSA-N 0 0 233.223 2.470 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)C ZINC000111769022 178271503 /nfs/dbraw/zinc/27/15/03/178271503.db2.gz CAMVEMYXFHOANS-UHFFFAOYSA-N 0 0 222.244 2.041 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC1 ZINC000111769057 178271569 /nfs/dbraw/zinc/27/15/69/178271569.db2.gz NRRPSALTHZCSPI-UHFFFAOYSA-N 0 0 234.255 2.139 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C)C1 ZINC000042548259 178272339 /nfs/dbraw/zinc/27/23/39/178272339.db2.gz NAEQPCFQXHCNHD-SNVBAGLBSA-N 0 0 235.287 2.019 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1O[C@@H](C)[C@@H](C)O ZINC000159442994 178272458 /nfs/dbraw/zinc/27/24/58/178272458.db2.gz XIDSMRSIJWTLBN-BDAKNGLRSA-N 0 0 225.244 2.051 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1O[C@@H](C)[C@H](C)O ZINC000159443146 178273237 /nfs/dbraw/zinc/27/32/37/178273237.db2.gz XIDSMRSIJWTLBN-IUCAKERBSA-N 0 0 225.244 2.051 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000162832003 178273291 /nfs/dbraw/zinc/27/32/91/178273291.db2.gz LQXZBDWPJMXYOI-GZMMTYOYSA-N 0 0 249.270 2.433 10 5 BEBERN Cc1ccc(C2N=NC(=S)O2)cc1[N+](=O)[O-] ZINC000020159257 178341489 /nfs/dbraw/zinc/34/14/89/178341489.db2.gz BRLCRYYTMKIKEF-UHFFFAOYSA-N 0 0 237.240 2.242 10 5 BEBERN Cc1ccc(-n2cccn2)c([N+](=O)[O-])c1 ZINC000104289585 178347213 /nfs/dbraw/zinc/34/72/13/178347213.db2.gz CAPOEFDPFCRMJW-UHFFFAOYSA-N 0 0 203.201 2.089 10 5 BEBERN CCOc1ccc(-c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000253567152 398290558 /nfs/dbraw/zinc/29/05/58/398290558.db2.gz JUCYBIMRAWMEIM-UHFFFAOYSA-N 0 0 233.227 2.384 10 5 BEBERN CCC[C@@H](C=O)[C@H](C[N+](=O)[O-])c1ccco1 ZINC000139415828 361923649 /nfs/dbraw/zinc/92/36/49/361923649.db2.gz OGKAMEHSXFKRCP-UWVGGRQHSA-N 0 0 225.244 2.255 10 5 BEBERN O=[N+]([O-])c1cc(OC(F)(F)F)cc(CF)n1 ZINC000309181642 342904079 /nfs/dbraw/zinc/90/40/79/342904079.db2.gz DMENPNUUIRZODF-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN Cc1ccc2c(Cl)c([N+](=O)[O-])cnc2n1 ZINC000584882292 343084664 /nfs/dbraw/zinc/08/46/64/343084664.db2.gz ZTCZQESEAPFNIR-UHFFFAOYSA-N 0 0 223.619 2.500 10 5 BEBERN CCOC(=O)c1cc([N+](=O)[O-])cnc1C(F)F ZINC000584883258 343085923 /nfs/dbraw/zinc/08/59/23/343085923.db2.gz JZCBUQKXSMCBIH-UHFFFAOYSA-N 0 0 246.169 2.104 10 5 BEBERN Cc1ccc2c(c1)[nH]c(=O)c1ccccc1c2=O ZINC000034591956 343275349 /nfs/dbraw/zinc/27/53/49/343275349.db2.gz KLFUBDBUZWAKNZ-UHFFFAOYSA-N 0 0 237.258 2.350 10 5 BEBERN CCc1cc(Br)ncc1[N+](=O)[O-] ZINC000032914771 187256622 /nfs/dbraw/zinc/25/66/22/187256622.db2.gz WPVYXDXNMDQACF-UHFFFAOYSA-N 0 0 231.049 2.315 10 5 BEBERN CC(C)=CCOc1ccc([N+](=O)[O-])cc1CO ZINC000035414906 187258253 /nfs/dbraw/zinc/25/82/53/187258253.db2.gz JTPCRERDTPBWLN-UHFFFAOYSA-N 0 0 237.255 2.432 10 5 BEBERN CC(=O)CCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000037981822 187261604 /nfs/dbraw/zinc/26/16/04/187261604.db2.gz WKKZDDARGXOQHH-UHFFFAOYSA-N 0 0 241.218 2.482 10 5 BEBERN O=[N+]([O-])c1cc(Cl)nc(NCC(F)F)c1 ZINC000220033191 343728154 /nfs/dbraw/zinc/72/81/54/343728154.db2.gz AKZBWFFGHUAJPE-UHFFFAOYSA-N 0 0 237.593 2.320 10 5 BEBERN O=[N+]([O-])c1ccc(CF)c(OC(F)(F)F)n1 ZINC000309212048 346990574 /nfs/dbraw/zinc/99/05/74/346990574.db2.gz HLJKRJHKYUYEKH-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN O=C(c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000022004340 343870331 /nfs/dbraw/zinc/87/03/31/343870331.db2.gz VFWBUCNFKSMZGI-UHFFFAOYSA-N 0 0 201.128 2.043 10 5 BEBERN Cc1c(C(N)=O)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000218549283 344240271 /nfs/dbraw/zinc/24/02/71/344240271.db2.gz JFGDUSCPZXMGQF-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN O=c1c2cccc(O)c2oc2c(O)ccc(O)c12 ZINC000014821978 344419601 /nfs/dbraw/zinc/41/96/01/344419601.db2.gz HFSVZCUBASBXKP-UHFFFAOYSA-N 0 0 244.202 2.063 10 5 biogenic BEBERN O=[N+]([O-])c1cc(F)cc(OC(F)F)c1F ZINC000396128953 344611721 /nfs/dbraw/zinc/61/17/21/344611721.db2.gz XAFDZUKXJKPKLK-UHFFFAOYSA-N 0 0 225.097 2.474 10 5 BEBERN COC(=O)c1c(C)ccc([N+](=O)[O-])c1Cl ZINC000166206274 344788240 /nfs/dbraw/zinc/78/82/40/344788240.db2.gz NWVCJGYMNKJVRE-UHFFFAOYSA-N 0 0 229.619 2.343 10 5 BEBERN Cc1cnc([C@@H](C)Nc2ccncc2[N+](=O)[O-])o1 ZINC000235225913 344849364 /nfs/dbraw/zinc/84/93/64/344849364.db2.gz GRDKOEHKIXTDNS-MRVPVSSYSA-N 0 0 248.242 2.459 10 5 BEBERN Cc1ccnc([N+](=O)[O-])c1OC(F)(F)F ZINC000238470425 345056142 /nfs/dbraw/zinc/05/61/42/345056142.db2.gz RMNIQELLQHYPCY-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN CN(C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000148200527 345323740 /nfs/dbraw/zinc/32/37/40/345323740.db2.gz YLHXUQSXUOLJKP-UHFFFAOYSA-N 0 0 215.640 2.137 10 5 BEBERN CCOC(=O)c1cnc2ccc([N+](=O)[O-])cc2c1 ZINC000207444604 345758418 /nfs/dbraw/zinc/75/84/18/345758418.db2.gz IMDIPENPPMOWDR-UHFFFAOYSA-N 0 0 246.222 2.320 10 5 BEBERN Nc1cccc2c3ccccc3[nH]c(=O)c12 ZINC000033994183 345814999 /nfs/dbraw/zinc/81/49/99/345814999.db2.gz BQMRJOVXZDOPEC-UHFFFAOYSA-N 0 0 210.236 2.264 10 5 BEBERN COc1ccc2[nH]c3cnccc3c(=O)c2c1 ZINC000032254990 345760510 /nfs/dbraw/zinc/76/05/10/345760510.db2.gz RHSWWPPBVXXGBA-UHFFFAOYSA-N 0 0 226.235 2.085 10 5 BEBERN O=[N+]([O-])c1cccc(N2CCSCC2)c1 ZINC000143144058 345891878 /nfs/dbraw/zinc/89/18/78/345891878.db2.gz LORMAZUVHOYOTI-UHFFFAOYSA-N 0 0 224.285 2.148 10 5 BEBERN Cc1ccc2c(ccc3cnc(N)nc32)n1 ZINC000072416430 178967095 /nfs/dbraw/zinc/96/70/95/178967095.db2.gz PBNCVJUJTFYPSO-UHFFFAOYSA-N 0 0 210.240 2.069 10 5 BEBERN COC(=O)c1c(C)c([N+](=O)[O-])ccc1Cl ZINC000167447108 346247716 /nfs/dbraw/zinc/24/77/16/346247716.db2.gz ALSLHMMKWDMLST-UHFFFAOYSA-N 0 0 229.619 2.343 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1O[C@H](C)[C@H](C)O ZINC000128656517 179206056 /nfs/dbraw/zinc/20/60/56/179206056.db2.gz MGLBSTJJNCXXLC-DTWKUNHWSA-N 0 0 225.244 2.051 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1NCc1ncc[nH]1 ZINC000083358549 179206525 /nfs/dbraw/zinc/20/65/25/179206525.db2.gz KNYIRGYPAHLLQH-UHFFFAOYSA-N 0 0 232.243 2.238 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCO[C@H]1C ZINC000134267126 179207079 /nfs/dbraw/zinc/20/70/79/179207079.db2.gz PPLKDUTYKCTVBG-VHSXEESVSA-N 0 0 236.271 2.493 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(=O)n1-c1ccccc1 ZINC000616567863 347440810 /nfs/dbraw/zinc/44/08/10/347440810.db2.gz OSBCVQJXMUGWCR-UHFFFAOYSA-N 0 0 230.223 2.054 10 5 BEBERN O=[N+]([O-])c1ccsc1-c1ncccn1 ZINC000196255491 347851411 /nfs/dbraw/zinc/85/14/11/347851411.db2.gz VWGYYFVTSKGRQW-UHFFFAOYSA-N 0 0 207.214 2.113 10 5 BEBERN C[C@H]1C[C@H]1Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000308968796 349259539 /nfs/dbraw/zinc/25/95/39/349259539.db2.gz OBQMVSNBZPSZSB-CAHLUQPWSA-N 0 0 227.651 2.464 10 5 BEBERN Cc1ncc(/C=C\c2ncc([N+](=O)[O-])o2)o1 ZINC000039110369 180123416 /nfs/dbraw/zinc/12/34/16/180123416.db2.gz RQDZLWAVFGZQAT-IHWYPQMZSA-N 0 0 221.172 2.050 10 5 BEBERN Cc1nc2ccc(Cl)c([N+](=O)[O-])c2[nH]1 ZINC000034440633 350263994 /nfs/dbraw/zinc/26/39/94/350263994.db2.gz CQSOSZQCVCNDPS-UHFFFAOYSA-N 0 0 211.608 2.433 10 5 BEBERN Cc1nn(C)c(N[C@@H](C)C(C)C)c1[N+](=O)[O-] ZINC000036749322 180358419 /nfs/dbraw/zinc/35/84/19/180358419.db2.gz XUZJODQQQWPEDG-ZETCQYMHSA-N 0 0 226.280 2.093 10 5 BEBERN Cc1cc(O)cc([N+](=O)[O-])c1Br ZINC000306724680 350894045 /nfs/dbraw/zinc/89/40/45/350894045.db2.gz VKNUDXGZVLLQNF-UHFFFAOYSA-N 0 0 232.033 2.371 10 5 BEBERN O=[N+]([O-])c1c(Cl)c[n+]([O-])c2ccccc21 ZINC000005934965 351326416 /nfs/dbraw/zinc/32/64/16/351326416.db2.gz KCTRRJGEGCNDPX-UHFFFAOYSA-N 0 0 224.603 2.035 10 5 BEBERN CC(=O)[C@@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000034973011 351370857 /nfs/dbraw/zinc/37/08/57/351370857.db2.gz LXIRZQMZOGSLEX-WDEREUQCSA-N 0 0 205.213 2.287 10 5 BEBERN Cc1c(Br)c(CO)ccc1[N+](=O)[O-] ZINC000307042205 351445303 /nfs/dbraw/zinc/44/53/03/351445303.db2.gz QQHCUCDTKQKJSY-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN Nc1c(F)c([N+](=O)[O-])ccc1Br ZINC000307114455 351486485 /nfs/dbraw/zinc/48/64/85/351486485.db2.gz UCKMGHRDYFVTBR-UHFFFAOYSA-N 0 0 235.012 2.079 10 5 BEBERN Cc1ccc(CO)c([N+](=O)[O-])c1Cl ZINC000307288743 351855178 /nfs/dbraw/zinc/85/51/78/351855178.db2.gz DEAGJIWXIDXBGF-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN CC(=O)c1cnn(Cc2ccccc2[N+](=O)[O-])c1 ZINC000054716076 187611011 /nfs/dbraw/zinc/61/10/11/187611011.db2.gz KMFKAIREIIEWFU-UHFFFAOYSA-N 0 0 245.238 2.042 10 5 BEBERN O=[N+]([O-])c1ccnc2c(Br)c[nH]c21 ZINC000044713045 352384287 /nfs/dbraw/zinc/38/42/87/352384287.db2.gz UVYOFUNZNRTIMV-UHFFFAOYSA-N 0 0 242.032 2.234 10 5 BEBERN Cc1cc(Br)c([N+](=O)[O-])c(CO)c1 ZINC000307539540 352644394 /nfs/dbraw/zinc/64/43/94/352644394.db2.gz YQBWHPJJAJWKFV-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN O=Cc1cc(Br)c([N+](=O)[O-])cc1F ZINC000307311040 353068240 /nfs/dbraw/zinc/06/82/40/353068240.db2.gz QOSVASMRQVWIBY-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN CC(=O)c1cc(F)cc([N+](=O)[O-])c1F ZINC000223016299 353114174 /nfs/dbraw/zinc/11/41/74/353114174.db2.gz VMNFWXQAQREPDZ-UHFFFAOYSA-N 0 0 201.128 2.076 10 5 BEBERN C[C@@H]([C@@H](O)c1cccc(Cl)c1)[N+](=O)[O-] ZINC000307753733 353127878 /nfs/dbraw/zinc/12/78/78/353127878.db2.gz WWRVKIPHIFCJKV-IMTBSYHQSA-N 0 0 215.636 2.039 10 5 BEBERN COc1ccc(OC2CC2)cc1[N+](=O)[O-] ZINC000095729925 188319671 /nfs/dbraw/zinc/31/96/71/188319671.db2.gz IAGLZOUCUIXISJ-UHFFFAOYSA-N 0 0 209.201 2.145 10 5 BEBERN O=[N+]([O-])c1nccc(Cl)c1OC1CC1 ZINC000095735959 188320357 /nfs/dbraw/zinc/32/03/57/188320357.db2.gz SCIGYKJFXXJSBQ-UHFFFAOYSA-N 0 0 214.608 2.184 10 5 BEBERN O=c1c2cc(O)ccc2oc2cc(O)cc(O)c21 ZINC000006094144 355858121 /nfs/dbraw/zinc/85/81/21/355858121.db2.gz JJUNZBRHHGLJQW-UHFFFAOYSA-N 0 0 244.202 2.063 10 5 endogenous,in-man BEBERN O=[N+]([O-])c1cc2c(cc1Cl)OCCCO2 ZINC000035186595 355874449 /nfs/dbraw/zinc/87/44/49/355874449.db2.gz ADESRFNLRNRBPG-UHFFFAOYSA-N 0 0 229.619 2.410 10 5 BEBERN COc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000238359733 363487256 /nfs/dbraw/zinc/48/72/56/363487256.db2.gz BZEUZZATZYXTEW-UHFFFAOYSA-N 0 0 219.143 2.205 10 5 BEBERN CC[C@]1([N+](=O)[O-])O[C@@H]1c1ccc(F)cc1 ZINC000213849496 363509511 /nfs/dbraw/zinc/50/95/11/363509511.db2.gz UXKZOICNUSNLME-ZJUUUORDSA-N 0 0 211.192 2.280 10 5 BEBERN O=[N+]([O-])c1cccc(-c2cnn3cccnc23)c1 ZINC000675072486 538503735 /nfs/dbraw/zinc/50/37/35/538503735.db2.gz DDNTXOONZZJXFE-UHFFFAOYSA-N 0 0 240.222 2.305 10 5 BEBERN CCOC(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC000035333461 357186172 /nfs/dbraw/zinc/18/61/72/357186172.db2.gz VYUAANYNMSTUQA-UHFFFAOYSA-N 0 0 223.228 2.388 10 5 BEBERN COC[C@H](C)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218825098 134265020 /nfs/dbraw/zinc/26/50/20/134265020.db2.gz XSVIOKXFSPWBBT-VIFPVBQESA-N 0 0 224.260 2.350 10 5 BEBERN COc1ccc2cc(C)[nH]c(=O)c2c1[N+](=O)[O-] ZINC000584613028 358276940 /nfs/dbraw/zinc/27/69/40/358276940.db2.gz LLFJSUWDVNILIV-UHFFFAOYSA-N 0 0 234.211 2.166 10 5 BEBERN CCOP(=O)(OCC)[C@H](C1CC1)[N+](=O)[O-] ZINC000584601816 358259368 /nfs/dbraw/zinc/25/93/68/358259368.db2.gz DGWCPYCNTRIIFA-MRVPVSSYSA-N 0 0 237.192 2.265 10 5 BEBERN O=[N+]([O-])c1ccccc1[C@H](O)c1ccoc1 ZINC000584603903 358262615 /nfs/dbraw/zinc/26/26/15/358262615.db2.gz AXHSQANIHOUNQD-LLVKDONJSA-N 0 0 219.196 2.270 10 5 BEBERN CC[C@@]1(C)c2cc([N+](=O)[O-])ccc2N(C)C1=O ZINC000584631987 358314014 /nfs/dbraw/zinc/31/40/14/358314014.db2.gz DKZDSCQJNSZQQK-LBPRGKRZSA-N 0 0 234.255 2.239 10 5 BEBERN CSc1cc2n[nH]cc2cc1[N+](=O)[O-] ZINC000584617596 358282689 /nfs/dbraw/zinc/28/26/89/358282689.db2.gz CMHLEYYDUYXYTD-UHFFFAOYSA-N 0 0 209.230 2.193 10 5 BEBERN O=C1CC[C@@H](CF)N1c1ccc([N+](=O)[O-])cc1 ZINC000584636527 358321195 /nfs/dbraw/zinc/32/11/95/358321195.db2.gz BNFQOXAFTXOOPZ-JTQLQIEISA-N 0 0 238.218 2.060 10 5 BEBERN Cc1cc(Br)c(CO)c([N+](=O)[O-])c1 ZINC000306604202 360532997 /nfs/dbraw/zinc/53/29/97/360532997.db2.gz NRZKMCHPVFFKIJ-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN Cc1nccc([N+](=O)[O-])c1OC(F)(F)F ZINC000238490736 361115500 /nfs/dbraw/zinc/11/55/00/361115500.db2.gz HKYCDZBPTXFOMN-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN Cc1nccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000238491780 361128761 /nfs/dbraw/zinc/12/87/61/361128761.db2.gz ANIGQMAGECFMPP-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN O=[N+]([O-])c1ccc(OC(F)(F)F)c(F)n1 ZINC000238592799 361160987 /nfs/dbraw/zinc/16/09/87/361160987.db2.gz JGTFEIAMRHLQSK-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1cnc(F)c(OC(F)(F)F)c1 ZINC000238597548 361162562 /nfs/dbraw/zinc/16/25/62/361162562.db2.gz WEHFSDUOZXXNAT-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1cncc(F)c1OC(F)(F)F ZINC000238585789 361159171 /nfs/dbraw/zinc/15/91/71/361159171.db2.gz JJYSXTUVQAKTTF-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=C(c1ccc([N+](=O)[O-])o1)[C@@H]1CCCS1 ZINC000069985209 361319759 /nfs/dbraw/zinc/31/97/59/361319759.db2.gz LKYDQRULQYIKKO-ZETCQYMHSA-N 0 0 227.241 2.266 10 5 BEBERN O=[N+]([O-])c1cc(CF)nc(OC(F)(F)F)c1 ZINC000381562186 361481386 /nfs/dbraw/zinc/48/13/86/361481386.db2.gz QTIBHBDBENAPPF-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN O=[N+]([O-])c1cc(CF)c(OC(F)(F)F)cn1 ZINC000381687155 361513603 /nfs/dbraw/zinc/51/36/03/361513603.db2.gz YVNFDSOHNLGHNH-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN C=CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000037004178 361591578 /nfs/dbraw/zinc/59/15/78/361591578.db2.gz RYEORCXVQMODPQ-UHFFFAOYSA-N 0 0 226.619 2.373 10 5 BEBERN CCCCc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000053856383 368331804 /nfs/dbraw/zinc/33/18/04/368331804.db2.gz HBTDTQDTPZRGLG-UHFFFAOYSA-N 0 0 247.254 2.174 10 5 BEBERN COCCn1ccc2cc([N+](=O)[O-])ccc21 ZINC000118093490 370992111 /nfs/dbraw/zinc/99/21/11/370992111.db2.gz HCCCBJGDIFYMHZ-UHFFFAOYSA-N 0 0 220.228 2.196 10 5 BEBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(C)(C)C ZINC000020448473 371283045 /nfs/dbraw/zinc/28/30/45/371283045.db2.gz MOTUEWQHCLQUNB-SSDOTTSWSA-N 0 0 240.259 2.352 10 5 BEBERN O=[N+]([O-])c1cnccc1NCCc1ccccn1 ZINC000020370141 371274760 /nfs/dbraw/zinc/27/47/60/371274760.db2.gz DMYZDEQTLHUNLF-UHFFFAOYSA-N 0 0 244.254 2.039 10 5 BEBERN Nc1ccccc1C(=O)c1ccccc1[N+](=O)[O-] ZINC000021298012 371385197 /nfs/dbraw/zinc/38/51/97/371385197.db2.gz PMBOBOCOXFKIAG-UHFFFAOYSA-N 0 0 242.234 2.408 10 5 BEBERN Nc1ccccc1Oc1ccncc1[N+](=O)[O-] ZINC000038056607 181756726 /nfs/dbraw/zinc/75/67/26/181756726.db2.gz FNQYRRJOYCNMFI-UHFFFAOYSA-N 0 0 231.211 2.364 10 5 BEBERN Cc1nc2c3ccccc3ccc2c(=O)[nH]1 ZINC000162758246 371839829 /nfs/dbraw/zinc/83/98/29/371839829.db2.gz HCFVEBGNIVMBJD-UHFFFAOYSA-N 0 0 210.236 2.385 10 5 BEBERN C=CC(=O)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000162994676 371907857 /nfs/dbraw/zinc/90/78/57/371907857.db2.gz OETINUTWYCMUGZ-UHFFFAOYSA-N 0 0 206.201 2.028 10 5 BEBERN O=[N+]([O-])c1cc2ccccc2cc1CO ZINC000002379159 182926377 /nfs/dbraw/zinc/92/63/77/182926377.db2.gz YLIFSPRRWWMMPC-UHFFFAOYSA-N 0 0 203.197 2.240 10 5 in-vitro BEBERN O=[N+]([O-])c1cnccc1NCCc1ccncc1 ZINC000048262707 182959708 /nfs/dbraw/zinc/95/97/08/182959708.db2.gz VOWBYBNDFNXEOK-UHFFFAOYSA-N 0 0 244.254 2.039 10 5 BEBERN O=[N+]([O-])c1cnccc1NCc1nccs1 ZINC000041013276 182960621 /nfs/dbraw/zinc/96/06/21/182960621.db2.gz OJPNCIVKIJMNTP-UHFFFAOYSA-N 0 0 236.256 2.058 10 5 BEBERN CCCN(C)C(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000037286201 169061161 /nfs/dbraw/zinc/06/11/61/169061161.db2.gz WSJOXPJLKYAZSM-UHFFFAOYSA-N 0 0 240.234 2.216 10 5 BEBERN O=c1cccc2[nH]c3c(O)cccc3nc1-2 ZINC000014651200 183298113 /nfs/dbraw/zinc/29/81/13/183298113.db2.gz JOXNFMAXWAPITK-UHFFFAOYSA-N 0 0 212.208 2.194 10 5 BEBERN CCCNc1ccc([N+](=O)[O-])cc1OC ZINC000037062070 169294596 /nfs/dbraw/zinc/29/45/96/169294596.db2.gz YZPXLRHBKOQKMA-UHFFFAOYSA-N 0 0 210.233 2.425 10 5 BEBERN C[C@@H](CO)[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000134959943 383852384 /nfs/dbraw/zinc/85/23/84/383852384.db2.gz ASOWVEDDEUNLCA-JGVFFNPUSA-N 0 0 242.250 2.163 10 5 BEBERN Cc1nc(F)c([N+](=O)[O-])cc1Br ZINC000066327903 383858606 /nfs/dbraw/zinc/85/86/06/383858606.db2.gz FWDFXRAFFAQGNY-UHFFFAOYSA-N 0 0 235.012 2.200 10 5 BEBERN Cc1ccnc(N[C@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000070062795 384217720 /nfs/dbraw/zinc/21/77/20/384217720.db2.gz TZEYEVCUEVZBNX-YUMQZZPRSA-N 0 0 207.233 2.119 10 5 BEBERN CNc1ccc2ccncc2c1[N+](=O)[O-] ZINC000044699730 384356104 /nfs/dbraw/zinc/35/61/04/384356104.db2.gz RLMBGQVSOOBNPE-UHFFFAOYSA-N 0 0 203.201 2.185 10 5 in-vitro BEBERN COc1c(OC(F)F)cc(F)cc1[N+](=O)[O-] ZINC000575661416 384415877 /nfs/dbraw/zinc/41/58/77/384415877.db2.gz PBAUYPWRQIBXIY-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN COc1ccc(F)c([N+](=O)[O-])c1OC(F)F ZINC000575661987 384416710 /nfs/dbraw/zinc/41/67/10/384416710.db2.gz YLVAGZNJYHCHHP-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN O=[N+]([O-])c1ccc(F)cc1NCC(F)F ZINC000147891488 384534631 /nfs/dbraw/zinc/53/46/31/384534631.db2.gz ZPORWHLEPSCVLJ-UHFFFAOYSA-N 0 0 220.150 2.411 10 5 BEBERN COc1c(O)cc([N+](=O)[O-])cc1Br ZINC000575691119 384646601 /nfs/dbraw/zinc/64/66/01/384646601.db2.gz IFEDOAQCUWVBKC-UHFFFAOYSA-N 0 0 248.032 2.072 10 5 BEBERN O=C1OCCN1c1cc([N+](=O)[O-])ccc1Cl ZINC000071790359 384698691 /nfs/dbraw/zinc/69/86/91/384698691.db2.gz RKGIRUZYDVEWJR-UHFFFAOYSA-N 0 0 242.618 2.205 10 5 BEBERN O=[N+]([O-])c1cc(F)cc(C(F)(F)F)c1CO ZINC000575711673 384843448 /nfs/dbraw/zinc/84/34/48/384843448.db2.gz UZJRYRAQJYTFMI-UHFFFAOYSA-N 0 0 239.124 2.245 10 5 BEBERN C[C@H]1OCC[C@@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000149970362 384955526 /nfs/dbraw/zinc/95/55/26/384955526.db2.gz UYOIQCGENFOZJL-APPZFPTMSA-N 0 0 240.234 2.323 10 5 BEBERN COc1ccc(N)c([N+](=O)[O-])c1C(F)(F)F ZINC000575730138 384924991 /nfs/dbraw/zinc/92/49/91/384924991.db2.gz UFJKKXPYJATPJQ-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1ccc(C(F)(F)F)c(N)c1[N+](=O)[O-] ZINC000575729748 384925589 /nfs/dbraw/zinc/92/55/89/384925589.db2.gz PMEOJJHVLVVLEJ-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN Cc1cnc(N2CC[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000408049106 385183720 /nfs/dbraw/zinc/18/37/20/385183720.db2.gz VNPLLOHDXKZODR-LLVKDONJSA-N 0 0 239.250 2.237 10 5 BEBERN COC[C@@H](C)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000052119148 385698910 /nfs/dbraw/zinc/69/89/10/385698910.db2.gz JIIKKJSGCVQGLU-SSDOTTSWSA-N 0 0 228.223 2.181 10 5 BEBERN O=[N+]([O-])c1ccc(F)cc1NCCCCCO ZINC000228725657 386200818 /nfs/dbraw/zinc/20/08/18/386200818.db2.gz WMTMRNCNNZATJT-UHFFFAOYSA-N 0 0 242.250 2.308 10 5 BEBERN CCOC(=O)Cc1c(F)c(C)ccc1[N+](=O)[O-] ZINC000575397266 386999031 /nfs/dbraw/zinc/99/90/31/386999031.db2.gz FGEHRTXKWVWMSY-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCc1c([N+](=O)[O-])ccc(CO)c1OC(F)F ZINC000575659442 387047605 /nfs/dbraw/zinc/04/76/05/387047605.db2.gz MPUBTNWODSXTRG-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN COc1c(F)cc([N+](=O)[O-])cc1OC(F)F ZINC000575660934 387050869 /nfs/dbraw/zinc/05/08/69/387050869.db2.gz DIDPMEAXKOTNJI-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN O=Cc1ccc([N+](=O)[O-])c(F)c1OC(F)F ZINC000575661692 387112209 /nfs/dbraw/zinc/11/22/09/387112209.db2.gz UEFDWBCKJQZCEV-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN COc1cc(OC(F)F)c(C=O)cc1[N+](=O)[O-] ZINC000575665718 387315755 /nfs/dbraw/zinc/31/57/55/387315755.db2.gz SNKVPGOOGUTTDA-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN COc1c(C=O)c([N+](=O)[O-])ccc1OC(F)F ZINC000575665821 387316122 /nfs/dbraw/zinc/31/61/22/387316122.db2.gz URLGZSFGNJHYJS-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN COc1cc([N+](=O)[O-])cc(OC(F)F)c1C=O ZINC000575664100 387289611 /nfs/dbraw/zinc/28/96/11/387289611.db2.gz BNAHRWVSLIBYDT-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN O=[N+]([O-])c1nnc2c(F)cccc2c1Cl ZINC000575600976 387362076 /nfs/dbraw/zinc/36/20/76/387362076.db2.gz BMFOOSUETJXELN-UHFFFAOYSA-N 0 0 227.582 2.331 10 5 BEBERN Cc1cc(OC(F)F)c([N+](=O)[O-])cc1O ZINC000575668995 387324795 /nfs/dbraw/zinc/32/47/95/387324795.db2.gz WRBQSDNEGHHNLL-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN COc1c(O)cc([N+](=O)[O-])cc1C(F)F ZINC000575668169 387325233 /nfs/dbraw/zinc/32/52/33/387325233.db2.gz LBQCZNUZDUWVEK-UHFFFAOYSA-N 0 0 219.143 2.247 10 5 BEBERN COc1cc(C=O)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575672293 387337355 /nfs/dbraw/zinc/33/73/55/387337355.db2.gz XLYDIYMHBZEIAT-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN CCOC(=O)c1cc([N+](=O)[O-])c(C)cc1OC ZINC000575673096 387339599 /nfs/dbraw/zinc/33/95/99/387339599.db2.gz CEMUMKDXZKYCOI-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN CC(=O)c1ccc(N)c(Cl)c1[N+](=O)[O-] ZINC000575716093 387432301 /nfs/dbraw/zinc/43/23/01/387432301.db2.gz JIKQDZFBWUVESL-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN Cc1c(N)cc([N+](=O)[O-])cc1OC(F)F ZINC000575720702 387442681 /nfs/dbraw/zinc/44/26/81/387442681.db2.gz BXDHZRCMTVDBBN-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN CC(=O)c1c(N)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575720582 387443441 /nfs/dbraw/zinc/44/34/41/387443441.db2.gz ZWSUVZMSJIQPMA-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN Cc1c(OC(F)F)ccc(N)c1[N+](=O)[O-] ZINC000575721476 387444596 /nfs/dbraw/zinc/44/45/96/387444596.db2.gz PZFKXGSCGYKFFI-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Nc1c(OC(F)F)ccc(Cl)c1[N+](=O)[O-] ZINC000575722082 387444667 /nfs/dbraw/zinc/44/46/67/387444667.db2.gz FBOOWFUIWREZST-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Nc1cc([N+](=O)[O-])cc(OC(F)F)c1Cl ZINC000575722189 387445066 /nfs/dbraw/zinc/44/50/66/387445066.db2.gz GVZCPRTUHGTRQN-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Nc1ccc(Cl)c(OC(F)F)c1[N+](=O)[O-] ZINC000575723089 387446038 /nfs/dbraw/zinc/44/60/38/387446038.db2.gz ZGQLJUIIIRPHCW-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN CCOc1cc(C(C)=O)cc(OC)c1[N+](=O)[O-] ZINC000575698185 387393290 /nfs/dbraw/zinc/39/32/90/387393290.db2.gz FPMXUOBTHRKDII-UHFFFAOYSA-N 0 0 239.227 2.205 10 5 BEBERN CCOc1c(O)c(CC)ccc1[N+](=O)[O-] ZINC000575696373 387397109 /nfs/dbraw/zinc/39/71/09/387397109.db2.gz MPVIUXXVXCAXFA-UHFFFAOYSA-N 0 0 211.217 2.262 10 5 BEBERN CSc1ccc(C=O)c([N+](=O)[O-])c1F ZINC000575709619 387413514 /nfs/dbraw/zinc/41/35/14/387413514.db2.gz MIIISOFIQVHGPZ-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN O=[N+]([O-])c1c(F)ccc(CO)c1C(F)(F)F ZINC000575711425 387415458 /nfs/dbraw/zinc/41/54/58/387415458.db2.gz TXZXYJSWWVEHME-UHFFFAOYSA-N 0 0 239.124 2.245 10 5 BEBERN COC(=O)c1cc(Cl)cc(OC)c1[N+](=O)[O-] ZINC000575713485 387416264 /nfs/dbraw/zinc/41/62/64/387416264.db2.gz VDSBWDVMVHVRIS-UHFFFAOYSA-N 0 0 245.618 2.043 10 5 BEBERN COC(=O)Cc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000575712559 387416426 /nfs/dbraw/zinc/41/64/26/387416426.db2.gz KBRHNVJUHUZVNV-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COC(=O)Cc1c(F)ccc(Cl)c1[N+](=O)[O-] ZINC000575712173 387416931 /nfs/dbraw/zinc/41/69/31/387416931.db2.gz FBEIZMXABPIMEK-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COC(=O)c1c(Cl)ccc([N+](=O)[O-])c1OC ZINC000575713085 387416978 /nfs/dbraw/zinc/41/69/78/387416978.db2.gz OMHFLWWMSRQRPJ-UHFFFAOYSA-N 0 0 245.618 2.043 10 5 BEBERN COC(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000575712206 387417276 /nfs/dbraw/zinc/41/72/76/387417276.db2.gz GLIAMUAXMICGLD-UHFFFAOYSA-N 0 0 233.582 2.174 10 5 BEBERN COC(=O)c1c(F)cc(Cl)cc1[N+](=O)[O-] ZINC000575712920 387417391 /nfs/dbraw/zinc/41/73/91/387417391.db2.gz QWNHVTOIOKYRKL-UHFFFAOYSA-N 0 0 233.582 2.174 10 5 BEBERN COC(=O)c1cc([N+](=O)[O-])cc(OC)c1Cl ZINC000575713562 387417477 /nfs/dbraw/zinc/41/74/77/387417477.db2.gz XVXPMZVNJROKPO-UHFFFAOYSA-N 0 0 245.618 2.043 10 5 BEBERN COc1cc([N+](=O)[O-])cc(C=O)c1C(F)(F)F ZINC000575728501 387465356 /nfs/dbraw/zinc/46/53/56/387465356.db2.gz CAPGWWKHNPWLOU-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1cc(C(F)(F)F)cc(C=O)c1[N+](=O)[O-] ZINC000575730370 387471142 /nfs/dbraw/zinc/47/11/42/387471142.db2.gz VMUMTBGKZZMZPP-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN Cc1ccc([C@@H](C)Nc2ncc([N+](=O)[O-])cn2)o1 ZINC000040454896 387667170 /nfs/dbraw/zinc/66/71/70/387667170.db2.gz TZTRYPKRDSLBCB-MRVPVSSYSA-N 0 0 248.242 2.459 10 5 BEBERN COc1ccc([N+](=O)[O-])c(OC)c1OC(F)F ZINC000575652904 387893002 /nfs/dbraw/zinc/89/30/02/387893002.db2.gz NHLZFIJPZVRVFQ-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN COc1ccc(OC)c([N+](=O)[O-])c1OC(F)F ZINC000575653066 387894530 /nfs/dbraw/zinc/89/45/30/387894530.db2.gz SSJKFLGLNORCHC-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN O=[N+]([O-])c1cc(OC(F)F)cnc1Cl ZINC000299889069 388344746 /nfs/dbraw/zinc/34/47/46/388344746.db2.gz CZQZNDCTLHRUFW-UHFFFAOYSA-N 0 0 224.550 2.245 10 5 BEBERN Cc1cc(N[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000271339750 388382303 /nfs/dbraw/zinc/38/23/03/388382303.db2.gz RIDZEJZPCKLGPR-PWSUYJOCSA-N 0 0 236.271 2.229 10 5 BEBERN CC(C)COCCNc1ccc([N+](=O)[O-])cn1 ZINC000076847841 388490484 /nfs/dbraw/zinc/49/04/84/388490484.db2.gz WNBKMMJUQQJYLJ-UHFFFAOYSA-N 0 0 239.275 2.074 10 5 BEBERN O=[N+]([O-])c1ccc([C@H]2CN3CCSC3=N2)cc1 ZINC000065748122 388678824 /nfs/dbraw/zinc/67/88/24/388678824.db2.gz LPIVDKLFFJWWBT-SNVBAGLBSA-N 0 0 249.295 2.054 10 5 in-vitro BEBERN CC(C)[C@@H](CO)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000092401694 388734238 /nfs/dbraw/zinc/73/42/38/388734238.db2.gz QBTCYJZQNVJHDZ-SNVBAGLBSA-N 0 0 242.250 2.163 10 5 BEBERN O=Cc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC000006402297 132318273 /nfs/dbraw/zinc/31/82/73/132318273.db2.gz AIQRXNNMBUMUCO-UHFFFAOYSA-N 0 0 234.255 2.398 10 5 BEBERN CC[C@H](C)CNc1ccncc1[N+](=O)[O-] ZINC000054474494 134764691 /nfs/dbraw/zinc/76/46/91/134764691.db2.gz FHECYKYCCZWUAG-QMMMGPOBSA-N 0 0 209.249 2.448 10 5 BEBERN O=[N+]([O-])c1ccc(-c2noc(Cl)n2)cc1 ZINC000037926763 397951474 /nfs/dbraw/zinc/95/14/74/397951474.db2.gz SKMDYDZRWCQKHI-UHFFFAOYSA-N 0 0 225.591 2.298 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(N)c1OC(F)F ZINC000575721636 398067278 /nfs/dbraw/zinc/06/72/78/398067278.db2.gz VLVVFDLYPFXMOO-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN C=CS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000236051267 410569469 /nfs/dbraw/zinc/56/94/69/410569469.db2.gz MPLAUWJQIPPEOC-UHFFFAOYSA-N 0 0 247.659 2.165 10 5 BEBERN CC(C)(C)OC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000037729937 166675447 /nfs/dbraw/zinc/67/54/47/166675447.db2.gz OLFFWHSMTNTNET-UHFFFAOYSA-N 0 0 238.243 2.132 10 5 BEBERN CC(C)C[NH2+]Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000062733450 167010385 /nfs/dbraw/zinc/01/03/85/167010385.db2.gz MGFONDUQHXWZLS-UHFFFAOYSA-N 0 0 224.260 2.046 10 5 BEBERN CC(C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000053750582 167149105 /nfs/dbraw/zinc/14/91/05/167149105.db2.gz XNMIPEPMCYXGPV-UHFFFAOYSA-N 0 0 248.242 2.465 10 5 BEBERN CC(C)[C@@H](C)Nc1ccncc1[N+](=O)[O-] ZINC000020523542 167387585 /nfs/dbraw/zinc/38/75/85/167387585.db2.gz WXYMLXOKTVDVEL-MRVPVSSYSA-N 0 0 209.249 2.446 10 5 BEBERN CCOC(=O)c1cc(N)c(Cl)c([N+](=O)[O-])c1 ZINC000062350443 170292134 /nfs/dbraw/zinc/29/21/34/170292134.db2.gz VWYUJWNEPRAIJV-UHFFFAOYSA-N 0 0 244.634 2.007 10 5 BEBERN CC[C@H](C)[C@H](C)n1nc(C)c([N+](=O)[O-])c1N ZINC000043670976 171392397 /nfs/dbraw/zinc/39/23/97/171392397.db2.gz HDNLKKMWJDGVFS-XPUUQOCRSA-N 0 0 226.280 2.289 10 5 BEBERN CN(C)/C=C/c1c(F)cccc1[N+](=O)[O-] ZINC000095879202 172351110 /nfs/dbraw/zinc/35/11/10/172351110.db2.gz OKUFRTYEXAOXQZ-VOTSOKGWSA-N 0 0 210.208 2.266 10 5 BEBERN CNc1c(OC2CC2)cccc1[N+](=O)[O-] ZINC000095729915 173471096 /nfs/dbraw/zinc/47/10/96/173471096.db2.gz JSNZJVFLAAUAGV-UHFFFAOYSA-N 0 0 208.217 2.178 10 5 BEBERN CNc1ccc(Oc2c([N+](=O)[O-])ncn2C)cc1 ZINC000038057313 173480807 /nfs/dbraw/zinc/48/08/07/173480807.db2.gz BKYWZSNNTPJJGP-UHFFFAOYSA-N 0 0 248.242 2.162 10 5 BEBERN CNc1nc2cc([N+](=O)[O-])ccc2s1 ZINC000045235924 173487979 /nfs/dbraw/zinc/48/79/79/173487979.db2.gz RARKUYRQBCXMFJ-UHFFFAOYSA-N 0 0 209.230 2.246 10 5 BEBERN COc1ccc(N[C@@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000052291653 175154807 /nfs/dbraw/zinc/15/48/07/175154807.db2.gz PBLCPRJWKGAQEG-OIBJUYFYSA-N 0 0 222.244 2.424 10 5 BEBERN C[C@@H](O)[C@H](C)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000087139293 177022184 /nfs/dbraw/zinc/02/21/84/177022184.db2.gz BEHCTDKTSLIZBR-RQJHMYQMSA-N 0 0 245.662 2.396 10 5 BEBERN C[C@H]1CCCN1c1ccc(CO)cc1[N+](=O)[O-] ZINC000037911395 177111464 /nfs/dbraw/zinc/11/14/64/177111464.db2.gz QUAHCOCYMCFRAR-VIFPVBQESA-N 0 0 236.271 2.076 10 5 BEBERN CC(C)[C@@H](CO)c1ccc([N+](=O)[O-])cc1 ZINC000057348697 519795952 /nfs/dbraw/zinc/79/59/52/519795952.db2.gz LARZJEOAFOCQMS-LLVKDONJSA-N 0 0 209.245 2.327 10 5 BEBERN Cc1ccc(OC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000131842068 591671477 /nfs/dbraw/zinc/67/14/77/591671477.db2.gz GEGIUYKGYYHPOW-UHFFFAOYSA-N 0 0 221.212 2.219 10 5 BEBERN COC1CC(Nc2sccc2[N+](=O)[O-])C1 ZINC000308946971 631744779 /nfs/dbraw/zinc/74/47/79/631744779.db2.gz OAMDLHSSIMGEJH-UHFFFAOYSA-N 0 0 228.273 2.246 10 5 BEBERN COC1CC(CNc2cccc([N+](=O)[O-])c2)C1 ZINC000705587299 712132229 /nfs/dbraw/zinc/13/22/29/712132229.db2.gz URGNRHFHMNRJNT-UHFFFAOYSA-N 0 0 236.271 2.432 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1-c1nnc(N)s1 ZINC000044747816 178271189 /nfs/dbraw/zinc/27/11/89/178271189.db2.gz BXXPHCJGYVYFQV-UHFFFAOYSA-N 0 0 236.256 2.004 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1OCC(=O)C1CC1 ZINC000131434646 178273139 /nfs/dbraw/zinc/27/31/39/178273139.db2.gz NBOQBHVPBFWKSY-UHFFFAOYSA-N 0 0 235.239 2.261 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1NCc1ccnn1C ZINC000037061847 178273280 /nfs/dbraw/zinc/27/32/80/178273280.db2.gz RFWPLMKLZHYKBO-UHFFFAOYSA-N 0 0 246.270 2.249 10 5 BEBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H]1C ZINC000052812922 178275317 /nfs/dbraw/zinc/27/53/17/178275317.db2.gz BURHXNKEFYVZLX-HZGVNTEJSA-N 0 0 207.233 2.119 10 5 BEBERN C=Cc1cc(F)c([N+](=O)[O-])cc1C(=O)OC ZINC000216146721 342758338 /nfs/dbraw/zinc/75/83/38/342758338.db2.gz YGNAEEQJXOSHQA-UHFFFAOYSA-N 0 0 225.175 2.164 10 5 BEBERN Cc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000075530096 178434254 /nfs/dbraw/zinc/43/42/54/178434254.db2.gz ISPXVZQIKVTQEH-WPRPVWTQSA-N 0 0 234.255 2.041 10 5 BEBERN Cc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000075530098 178434803 /nfs/dbraw/zinc/43/48/03/178434803.db2.gz ISPXVZQIKVTQEH-SCZZXKLOSA-N 0 0 234.255 2.041 10 5 BEBERN CC(C)Nc1ncnc2c1cccc2[N+](=O)[O-] ZINC000146908183 342773264 /nfs/dbraw/zinc/77/32/64/342773264.db2.gz XWJSHMVLTSSUPN-UHFFFAOYSA-N 0 0 232.243 2.358 10 5 BEBERN CCCCN1Cc2cc([N+](=O)[O-])ccc2C1=O ZINC000725266710 539027002 /nfs/dbraw/zinc/02/70/02/539027002.db2.gz WTJWGOHMFUIAHL-UHFFFAOYSA-N 0 0 234.255 2.351 10 5 BEBERN Cc1cc(Cl)c(CO)c([N+](=O)[O-])c1 ZINC000306669575 362032013 /nfs/dbraw/zinc/03/20/13/362032013.db2.gz BGMWHFWAOVTJNE-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN O=C(c1ccco1)c1ccc([N+](=O)[O-])o1 ZINC000043606702 343263926 /nfs/dbraw/zinc/26/39/26/343263926.db2.gz WPXYGWCXCFJUET-UHFFFAOYSA-N 0 0 207.141 2.012 10 5 BEBERN CCc1cc([N+](=O)[O-])c(OC)cc1OC ZINC000168637962 343620069 /nfs/dbraw/zinc/62/00/69/343620069.db2.gz OLDMXTPKWOVYQM-UHFFFAOYSA-N 0 0 211.217 2.174 10 5 BEBERN C/C=C/C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000048544844 187269142 /nfs/dbraw/zinc/26/91/42/187269142.db2.gz SYWBJHGOYJDCGM-ONEGZZNKSA-N 0 0 236.227 2.118 10 5 BEBERN C[C@H]1CC(=O)c2cccc([N+](=O)[O-])c2C1 ZINC000145406627 537820113 /nfs/dbraw/zinc/82/01/13/537820113.db2.gz SEATUOABEKUPQP-SSDOTTSWSA-N 0 0 205.213 2.360 10 5 BEBERN COc1cc(N)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000309203939 346991595 /nfs/dbraw/zinc/99/15/95/346991595.db2.gz ZZKPHORCXAIDRS-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1cc([N+](=O)[O-])c(C)c2[nH]ccc21 ZINC000044185431 344537720 /nfs/dbraw/zinc/53/77/20/344537720.db2.gz CCQIOTMJACGJLX-UHFFFAOYSA-N 0 0 206.201 2.393 10 5 BEBERN O=[N+]([O-])c1c(F)cc(F)cc1OC(F)F ZINC000396128088 344610356 /nfs/dbraw/zinc/61/03/56/344610356.db2.gz SRCKVDBSXJKGHK-UHFFFAOYSA-N 0 0 225.097 2.474 10 5 BEBERN O=[N+]([O-])c1cc2c(ccn2O)c(Cl)c1 ZINC000044185207 344716572 /nfs/dbraw/zinc/71/65/72/344716572.db2.gz HISWFFCUTSXRFX-UHFFFAOYSA-N 0 0 212.592 2.440 10 5 BEBERN CSc1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC000235068892 344757176 /nfs/dbraw/zinc/75/71/76/344757176.db2.gz IZOXBHUFJHPQBL-UHFFFAOYSA-N 0 0 219.653 2.069 10 5 BEBERN O=[N+]([O-])c1cccc(C2N=NC(=S)S2)c1 ZINC000030714583 344764031 /nfs/dbraw/zinc/76/40/31/344764031.db2.gz AYLBXYDCIPBCTN-UHFFFAOYSA-N 0 0 239.281 2.402 10 5 BEBERN COc1cc(OC(F)F)ccc1[N+](=O)[O-] ZINC000166713135 344972589 /nfs/dbraw/zinc/97/25/89/344972589.db2.gz CPKNVOBPEZEQLF-UHFFFAOYSA-N 0 0 219.143 2.205 10 5 BEBERN CCCCCCCC[C@H](O)C[N+](=O)[O-] ZINC000136749089 345542921 /nfs/dbraw/zinc/54/29/21/345542921.db2.gz NLKHGXNCSZJXRE-JTQLQIEISA-N 0 0 203.282 2.375 10 5 BEBERN Cc1ccc([N+](=O)[O-])cc1Nc1nccc(=O)[nH]1 ZINC000141363316 345860095 /nfs/dbraw/zinc/86/00/95/345860095.db2.gz VOKZZZWGEYZICE-UHFFFAOYSA-N 0 0 246.226 2.142 10 5 BEBERN COC(=O)c1ccccc1/C=C(\Cl)[N+](=O)[O-] ZINC000034586941 345834701 /nfs/dbraw/zinc/83/47/01/345834701.db2.gz YAKRPQDGFYHQFB-RMKNXTFCSA-N 0 0 241.630 2.287 10 5 BEBERN O=[N+]([O-])c1ccccc1[C@@H](NO)C(F)(F)F ZINC000309502316 347088301 /nfs/dbraw/zinc/08/83/01/347088301.db2.gz IIRDCXAKWRCMNC-SSDOTTSWSA-N 0 0 236.149 2.177 10 5 BEBERN COc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC000146811433 345989356 /nfs/dbraw/zinc/98/93/56/345989356.db2.gz GBEBAFAPIXROKJ-UHFFFAOYSA-N 0 0 204.185 2.152 10 5 BEBERN Cc1ccc2nc3ccc(=O)cc-3[nH]c2c1N ZINC000033606084 178981317 /nfs/dbraw/zinc/98/13/17/178981317.db2.gz LPJYJEOWTXQTAJ-UHFFFAOYSA-N 0 0 225.251 2.379 10 5 BEBERN CCC[C@@H](O)Cc1ccc([N+](=O)[O-])cc1 ZINC000062139916 346206785 /nfs/dbraw/zinc/20/67/85/346206785.db2.gz WOWWSMQSYOFKGQ-LLVKDONJSA-N 0 0 209.245 2.298 10 5 BEBERN C[C@H](O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000034423549 346279543 /nfs/dbraw/zinc/27/95/43/346279543.db2.gz DPECJWNICWLDNB-YFKPBYRVSA-N 0 0 201.609 2.302 10 5 BEBERN O=[N+]([O-])c1ccccc1N[C@H]1CCC[C@H](O)C1 ZINC000148553354 346318172 /nfs/dbraw/zinc/31/81/72/346318172.db2.gz WCQHTXNFJXIKIQ-UWVGGRQHSA-N 0 0 236.271 2.310 10 5 BEBERN Cn1ccc(NCc2csc([N+](=O)[O-])c2)n1 ZINC000037472373 346696117 /nfs/dbraw/zinc/69/61/17/346696117.db2.gz KNBAJWMCAWCRKW-UHFFFAOYSA-N 0 0 238.272 2.002 10 5 BEBERN C=CC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000037007158 348009909 /nfs/dbraw/zinc/00/99/09/348009909.db2.gz QTONRGDBBNOSBP-UHFFFAOYSA-N 0 0 206.201 2.028 10 5 BEBERN Cc1ccccc1[C@H]([C@H](C)[N+](=O)[O-])n1cccn1 ZINC000252514055 179347179 /nfs/dbraw/zinc/34/71/79/179347179.db2.gz AZMCQWDHAIPSQE-AAEUAGOBSA-N 0 0 245.282 2.446 10 5 BEBERN O=[N+]([O-])C[C@@H](O)c1c(Cl)cccc1Cl ZINC000197225632 348143674 /nfs/dbraw/zinc/14/36/74/348143674.db2.gz BQMUAFFTRUGZRN-SSDOTTSWSA-N 0 0 236.054 2.304 10 5 BEBERN C[C@H](CNc1ccncc1[N+](=O)[O-])C1CC1 ZINC000122198346 362943628 /nfs/dbraw/zinc/94/36/28/362943628.db2.gz KTGUVCOMKUUDBY-MRVPVSSYSA-N 0 0 221.260 2.448 10 5 BEBERN Cc1nn(C)c(Oc2ccccc2)c1[N+](=O)[O-] ZINC000000988221 180361779 /nfs/dbraw/zinc/36/17/79/180361779.db2.gz OCADCOKUXGRUOX-UHFFFAOYSA-N 0 0 233.227 2.429 10 5 BEBERN Cc1nn(C2CCCCC2)c(N)c1[N+](=O)[O-] ZINC000043670713 180385167 /nfs/dbraw/zinc/38/51/67/180385167.db2.gz RXXCINVKKNJLSA-UHFFFAOYSA-N 0 0 224.264 2.187 10 5 BEBERN CC(C)[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000051449047 191109575 /nfs/dbraw/zinc/10/95/75/191109575.db2.gz RYAWQTIYFZELGW-QMMMGPOBSA-N 0 0 209.249 2.446 10 5 BEBERN O=Cc1cc(F)cc(Br)c1[N+](=O)[O-] ZINC000306709124 350860006 /nfs/dbraw/zinc/86/00/06/350860006.db2.gz UPSCRWILZXKQHU-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN Cc1cc(CO)c(Br)cc1[N+](=O)[O-] ZINC000306773678 351015209 /nfs/dbraw/zinc/01/52/09/351015209.db2.gz UUCXYADYKOCFNM-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN Cc1cc(Cl)c([N+](=O)[O-])c(CO)c1 ZINC000307096983 351477840 /nfs/dbraw/zinc/47/78/40/351477840.db2.gz FDIVIZYLKNMQKP-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN O=[N+]([O-])c1c[nH]c2cc(C(F)(F)F)cnc21 ZINC000044713069 352384208 /nfs/dbraw/zinc/38/42/08/352384208.db2.gz GTIOVIVQMXWORM-UHFFFAOYSA-N 0 0 231.133 2.490 10 5 BEBERN O=Cc1ccc(F)c(Br)c1[N+](=O)[O-] ZINC000307432952 352595349 /nfs/dbraw/zinc/59/53/49/352595349.db2.gz NILCQIUBFULTOZ-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN O=[N+]([O-])c1cc(F)c(F)c(OCF)c1 ZINC000307529157 352635084 /nfs/dbraw/zinc/63/50/84/352635084.db2.gz LLMCVPVWTCCMKA-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN N#CNc1ccc([N+](=O)[O-])cc1Br ZINC000232451306 352675022 /nfs/dbraw/zinc/67/50/22/352675022.db2.gz VXODQLFVUWJDJP-UHFFFAOYSA-N 0 0 242.032 2.250 10 5 BEBERN Cc1cccc(NCC[C@@H](C)O)c1[N+](=O)[O-] ZINC000218854789 188008317 /nfs/dbraw/zinc/00/83/17/188008317.db2.gz MOKIGSHAAVGDCG-SECBINFHSA-N 0 0 224.260 2.086 10 5 BEBERN CCc1ccc(O[C@@H](C)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000094654942 188319423 /nfs/dbraw/zinc/31/94/23/188319423.db2.gz CKRRSKVSGNQYHC-BDAKNGLRSA-N 0 0 239.271 2.305 10 5 BEBERN COc1cc(SCCCO)cc([N+](=O)[O-])c1 ZINC000087797390 355856864 /nfs/dbraw/zinc/85/68/64/355856864.db2.gz MEALQVZIKGBLNK-UHFFFAOYSA-N 0 0 243.284 2.078 10 5 BEBERN COc1ncccc1-c1cncc([N+](=O)[O-])c1C ZINC000675072742 538504028 /nfs/dbraw/zinc/50/40/28/538504028.db2.gz GZEWNCGYUHZJCI-UHFFFAOYSA-N 0 0 245.238 2.369 10 5 BEBERN CC(=O)SCCOc1ccc([N+](=O)[O-])cc1 ZINC000584613062 358276816 /nfs/dbraw/zinc/27/68/16/358276816.db2.gz UNFRAZMOPRSYBB-UHFFFAOYSA-N 0 0 241.268 2.253 10 5 BEBERN O=[N+]([O-])c1ccn(-c2ccc(Cl)cc2)n1 ZINC000584613672 358277943 /nfs/dbraw/zinc/27/79/43/358277943.db2.gz WQTDLZCBYIXHSX-UHFFFAOYSA-N 0 0 223.619 2.434 10 5 BEBERN Cc1ccc([C@@H](O)[C@H](C)[N+](=O)[O-])c(C)c1 ZINC000584607222 358267303 /nfs/dbraw/zinc/26/73/03/358267303.db2.gz HSWWLCVQFCVVCN-ONGXEEELSA-N 0 0 209.245 2.002 10 5 BEBERN C[C@@H]1C[C@@H](C[N+](=O)[O-])c2ccccc2N1 ZINC000584608701 358269171 /nfs/dbraw/zinc/26/91/71/358269171.db2.gz FPZJGAUETRGITA-BDAKNGLRSA-N 0 0 206.245 2.251 10 5 BEBERN Cc1c([N+](=O)[O-])cnn1Cc1ccc(C)cc1 ZINC000584619546 358286297 /nfs/dbraw/zinc/28/62/97/358286297.db2.gz USZSMHVAHKCZOM-UHFFFAOYSA-N 0 0 231.255 2.456 10 5 BEBERN CC(C)N(C)c1cc2[nH]ncc2cc1[N+](=O)[O-] ZINC000584617925 358283600 /nfs/dbraw/zinc/28/36/00/358283600.db2.gz SOCWCFSNKBRVLH-UHFFFAOYSA-N 0 0 234.259 2.316 10 5 BEBERN O=[N+]([O-])c1sccc1-c1cncnc1 ZINC000584637183 358322261 /nfs/dbraw/zinc/32/22/61/358322261.db2.gz JZEXHHZOCWJBPN-UHFFFAOYSA-N 0 0 207.214 2.113 10 5 BEBERN O=[N+]([O-])c1ccc(Cl)c2ccc[n+]([O-])c21 ZINC000584638384 358323900 /nfs/dbraw/zinc/32/39/00/358323900.db2.gz VIBCSMZUBPUGKA-UHFFFAOYSA-N 0 0 224.603 2.035 10 5 BEBERN O=[N+]([O-])c1ccc2ccn(-c3ncccn3)c2c1 ZINC000584639774 358325585 /nfs/dbraw/zinc/32/55/85/358325585.db2.gz NXLIHVTVOOEQIS-UHFFFAOYSA-N 0 0 240.222 2.329 10 5 BEBERN Cc1c(F)cc(Cl)c(N)c1[N+](=O)[O-] ZINC000306427132 359878458 /nfs/dbraw/zinc/87/84/58/359878458.db2.gz XVCSBINFVUJSNP-UHFFFAOYSA-N 0 0 204.588 2.278 10 5 BEBERN O=C1[C@@H]2CC[C@H]1Cc1cc([N+](=O)[O-])ccc1C2 ZINC000039374915 360340300 /nfs/dbraw/zinc/34/03/00/360340300.db2.gz ZGNGAFFWBUDNCA-ZJUUUORDSA-N 0 0 231.251 2.289 10 5 BEBERN O=[N+]([O-])c1ccc(F)c(F)c1NCCF ZINC000306562904 360439739 /nfs/dbraw/zinc/43/97/39/360439739.db2.gz VBNCRNQPRVTJHC-UHFFFAOYSA-N 0 0 220.150 2.254 10 5 BEBERN Nc1ccc(Br)c([N+](=O)[O-])c1F ZINC000306609347 360587813 /nfs/dbraw/zinc/58/78/13/360587813.db2.gz YAJRHRYCQRXLRH-UHFFFAOYSA-N 0 0 235.012 2.079 10 5 BEBERN Cc1cncc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000238542862 361146511 /nfs/dbraw/zinc/14/65/11/361146511.db2.gz OCDNTARTHLTFQD-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN O=[N+]([O-])c1nccc(OC(F)(F)F)c1F ZINC000238565798 361153307 /nfs/dbraw/zinc/15/33/07/361153307.db2.gz RJRATYADYFVMSZ-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1c(F)nccc1OC(F)(F)F ZINC000238601634 361163234 /nfs/dbraw/zinc/16/32/34/361163234.db2.gz AJORFWOBBXUMLX-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1ccc2nncc(Cl)c2c1 ZINC000139136741 361577404 /nfs/dbraw/zinc/57/74/04/361577404.db2.gz XPRHSIASMRWFOS-UHFFFAOYSA-N 0 0 209.592 2.191 10 5 BEBERN COc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC000146646878 368350922 /nfs/dbraw/zinc/35/09/22/368350922.db2.gz NYZGSVMHIRDDAO-UHFFFAOYSA-N 0 0 204.185 2.152 10 5 BEBERN CC[S@@](C)(=O)=Nc1ccc([N+](=O)[O-])cc1 ZINC000142986258 368391927 /nfs/dbraw/zinc/39/19/27/368391927.db2.gz OMMASPAGKBFUFE-OAHLLOKOSA-N 0 0 228.273 2.344 10 5 BEBERN C[C@H]1C[C@@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081589856 370901701 /nfs/dbraw/zinc/90/17/01/370901701.db2.gz MINMPMAVEUOACK-CPCISQLKSA-N 0 0 244.254 2.358 10 5 BEBERN CC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C ZINC000020216599 368977201 /nfs/dbraw/zinc/97/72/01/368977201.db2.gz IGQRKULGNJAFOQ-UHFFFAOYSA-N 0 0 245.238 2.292 10 5 BEBERN CC(C)(C)[C@H](O)CNc1ccc([N+](=O)[O-])s1 ZINC000309686241 370243715 /nfs/dbraw/zinc/24/37/15/370243715.db2.gz OGBRDROHKGRPMM-SSDOTTSWSA-N 0 0 244.316 2.475 10 5 BEBERN Nc1ccc(-c2cccnc2)cc1[N+](=O)[O-] ZINC000038917350 181695400 /nfs/dbraw/zinc/69/54/00/181695400.db2.gz HUWQSHAKHTVWEM-UHFFFAOYSA-N 0 0 215.212 2.239 10 5 BEBERN COc1cc([N+](=O)[O-])cc2scnc21 ZINC000096320672 371469760 /nfs/dbraw/zinc/46/97/60/371469760.db2.gz QVZWBDSXIBWNIM-UHFFFAOYSA-N 0 0 210.214 2.213 10 5 BEBERN Nc1ccccc1Oc1ncccc1[N+](=O)[O-] ZINC000038056605 181758265 /nfs/dbraw/zinc/75/82/65/181758265.db2.gz MRMLUFLNUJXADA-UHFFFAOYSA-N 0 0 231.211 2.364 10 5 BEBERN CC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000225548936 371555251 /nfs/dbraw/zinc/55/52/51/371555251.db2.gz YCLWPIRHKFNFQQ-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN O=C(COc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000037974475 182001922 /nfs/dbraw/zinc/00/19/22/182001922.db2.gz VMSMWVQJZALCAF-UHFFFAOYSA-N 0 0 247.206 2.450 10 5 BEBERN CC(C)C(=O)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000143558389 374206159 /nfs/dbraw/zinc/20/61/59/374206159.db2.gz AKKBVDDROZDJGM-LLVKDONJSA-N 0 0 221.256 2.272 10 5 BEBERN CC[C@@H]([C@H](O)CCc1ccccc1)[N+](=O)[O-] ZINC000144549987 374311146 /nfs/dbraw/zinc/31/11/46/374311146.db2.gz WBXOUMYMGPQEIT-NWDGAFQWSA-N 0 0 223.272 2.035 10 5 BEBERN O=C(Nc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000013966980 182380567 /nfs/dbraw/zinc/38/05/67/182380567.db2.gz ZGCBUYQUQVUHKI-UHFFFAOYSA-N 0 0 243.222 2.242 10 5 BEBERN O=[N+]([O-])c1cc(F)cc(NCc2cn[nH]c2)c1 ZINC000038006537 182922935 /nfs/dbraw/zinc/92/29/35/182922935.db2.gz DENRRSHDHWQKLU-UHFFFAOYSA-N 0 0 236.206 2.069 10 5 BEBERN O=[N+]([O-])c1cc(F)ccc1NCc1cncnc1 ZINC000054767414 182925189 /nfs/dbraw/zinc/92/51/89/182925189.db2.gz XPNZBYNDNLLSEZ-UHFFFAOYSA-N 0 0 248.217 2.136 10 5 BEBERN O=c1c2c(O)cccc2[nH]c2cccc(O)c21 ZINC000013481038 182986724 /nfs/dbraw/zinc/98/67/24/182986724.db2.gz YSFCIRSZESBNPJ-UHFFFAOYSA-N 0 0 227.219 2.093 10 5 BEBERN CCCNc1cc([N+](=O)[O-])ccc1OC ZINC000037058370 169294254 /nfs/dbraw/zinc/29/42/54/169294254.db2.gz XFNMFKBFGYIWGN-UHFFFAOYSA-N 0 0 210.233 2.425 10 5 BEBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[C@@H]2C)n1 ZINC000309743681 384169986 /nfs/dbraw/zinc/16/99/86/384169986.db2.gz DYIKCNJZBXBKRQ-IMTBSYHQSA-N 0 0 221.260 2.427 10 5 BEBERN O=[N+]([O-])c1c(F)c(F)ccc1N(F)F ZINC000071790990 384180423 /nfs/dbraw/zinc/18/04/23/384180423.db2.gz XEJLASVZMXLCAC-UHFFFAOYSA-N 0 0 210.086 2.448 10 5 BEBERN COc1cc(C=O)cc(C(F)F)c1[N+](=O)[O-] ZINC000575672331 384469204 /nfs/dbraw/zinc/46/92/04/384469204.db2.gz YXPRSFCMCXILND-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN CCOc1cc(C=O)c(CC)c([N+](=O)[O-])c1 ZINC000575695442 384662222 /nfs/dbraw/zinc/66/22/22/384662222.db2.gz IKUBUKNWAJLUGD-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CC[S@](C)(=O)=Nc1cccc([N+](=O)[O-])c1 ZINC000536949622 384804141 /nfs/dbraw/zinc/80/41/41/384804141.db2.gz AYUZSWUSHHJELG-HNNXBMFYSA-N 0 0 228.273 2.344 10 5 BEBERN C[C@@H]1OCC[C@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000147853157 384859733 /nfs/dbraw/zinc/85/97/33/384859733.db2.gz BGBROCMZWCMODV-IONNQARKSA-N 0 0 240.234 2.323 10 5 BEBERN Cc1nc(N2CC[C@@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000408049179 385184660 /nfs/dbraw/zinc/18/46/60/385184660.db2.gz WIYMYHISGICMMX-LLVKDONJSA-N 0 0 239.250 2.237 10 5 BEBERN Cc1cnc(N2CC[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000408049107 385185635 /nfs/dbraw/zinc/18/56/35/385185635.db2.gz VNPLLOHDXKZODR-NSHDSACASA-N 0 0 239.250 2.237 10 5 BEBERN C[C@H]([NH2+]C1CC1)c1ccccc1[N+](=O)[O-] ZINC000034963844 385629654 /nfs/dbraw/zinc/62/96/54/385629654.db2.gz IDYVJAXTCVMBIY-QMMMGPOBSA-N 0 0 206.245 2.408 10 5 BEBERN CCOC(=O)Cc1cc([N+](=O)[O-])ccc1C ZINC000260258606 385805706 /nfs/dbraw/zinc/80/57/06/385805706.db2.gz YWWIDJOIASXGCO-UHFFFAOYSA-N 0 0 223.228 2.009 10 5 BEBERN CC(=O)c1ccc(F)c([N+](=O)[O-])c1F ZINC000306847044 386034759 /nfs/dbraw/zinc/03/47/59/386034759.db2.gz JEXSJMKZZBVBEN-UHFFFAOYSA-N 0 0 201.128 2.076 10 5 BEBERN CCOC(=O)Cc1c(C)c([N+](=O)[O-])ccc1F ZINC000575397261 386998222 /nfs/dbraw/zinc/99/82/22/386998222.db2.gz ACDRPWCMOGTQBI-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOc1c([N+](=O)[O-])ccc(O)c1OC(F)F ZINC000575657006 387044256 /nfs/dbraw/zinc/04/42/56/387044256.db2.gz IGXVVAFEJGBXAW-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN CCc1cc(OC(F)F)c([N+](=O)[O-])cc1CO ZINC000575660615 387050415 /nfs/dbraw/zinc/05/04/15/387050415.db2.gz ZGTGVURYADLZRI-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN O=Cc1ccc(OC(F)F)c(F)c1[N+](=O)[O-] ZINC000575660871 387052326 /nfs/dbraw/zinc/05/23/26/387052326.db2.gz BUHSHVJJOVIKJR-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN COc1c(OC(F)F)c(F)ccc1[N+](=O)[O-] ZINC000575661669 387112245 /nfs/dbraw/zinc/11/22/45/387112245.db2.gz SHZZONUTFLMVAE-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN COc1ccc(F)c(OC(F)F)c1[N+](=O)[O-] ZINC000575661719 387112598 /nfs/dbraw/zinc/11/25/98/387112598.db2.gz VLJIGOJYYGQQBF-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN Cc1c(OC(F)F)c(O)ccc1[N+](=O)[O-] ZINC000575666079 387311885 /nfs/dbraw/zinc/31/18/85/387311885.db2.gz GNINROCKJGFVCA-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN COc1ccc(C=O)c(OC(F)F)c1[N+](=O)[O-] ZINC000575666455 387317271 /nfs/dbraw/zinc/31/72/71/387317271.db2.gz VLELVMLOYAGEGD-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN Cc1c(Br)c(F)ncc1[N+](=O)[O-] ZINC000575600446 387356501 /nfs/dbraw/zinc/35/65/01/387356501.db2.gz WITADJUUNPUVDR-UHFFFAOYSA-N 0 0 235.012 2.200 10 5 BEBERN CCOC(=O)c1c(C)ccc(OC)c1[N+](=O)[O-] ZINC000575674703 387357845 /nfs/dbraw/zinc/35/78/45/387357845.db2.gz URXGWPUROYBFLW-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN COc1cccc2c(Cl)c([N+](=O)[O-])nnc12 ZINC000575601031 387361324 /nfs/dbraw/zinc/36/13/24/387361324.db2.gz GLCBUXCDROUIBB-UHFFFAOYSA-N 0 0 239.618 2.200 10 5 BEBERN O=[N+]([O-])/C=C/[C@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000575602562 387373780 /nfs/dbraw/zinc/37/37/80/387373780.db2.gz TUUXLMQPJVHVLN-IYZHVSIOSA-N 0 0 234.211 2.489 10 5 BEBERN Cc1ccc(O)c(OC(F)F)c1[N+](=O)[O-] ZINC000575668152 387324642 /nfs/dbraw/zinc/32/46/42/387324642.db2.gz RJORDJNVOLFIMR-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN O=[N+]([O-])c1c(F)cc(CO)cc1C(F)F ZINC000575669618 387329582 /nfs/dbraw/zinc/32/95/82/387329582.db2.gz GEKNWDZMZUSNKB-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN O=[N+]([O-])c1cc(F)c(CO)c(C(F)F)c1 ZINC000575669735 387331495 /nfs/dbraw/zinc/33/14/95/387331495.db2.gz MBNOWGPVKCBIDU-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN O=[N+]([O-])c1cc(C(F)F)cc(F)c1CO ZINC000575669940 387332365 /nfs/dbraw/zinc/33/23/65/387332365.db2.gz SWSAWYLLKFRPIA-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN COc1c(CO)cc([N+](=O)[O-])cc1C(F)F ZINC000575670773 387336966 /nfs/dbraw/zinc/33/69/66/387336966.db2.gz BNFHWNBAGBPZDD-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN COc1c(C=O)cc([N+](=O)[O-])cc1C(F)F ZINC000575672210 387338190 /nfs/dbraw/zinc/33/81/90/387338190.db2.gz SXZJNGZXENHBJB-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN CCOC(=O)c1c(OC)ccc(C)c1[N+](=O)[O-] ZINC000575673153 387339357 /nfs/dbraw/zinc/33/93/57/387339357.db2.gz DQGXNGPLCCYDLR-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN CCOC(=O)c1ccc(OC)c(C)c1[N+](=O)[O-] ZINC000575673622 387343374 /nfs/dbraw/zinc/34/33/74/387343374.db2.gz LHVJICOIUKCCOD-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN CC(=O)c1cc(N)c(Cl)c([N+](=O)[O-])c1 ZINC000575716016 387430359 /nfs/dbraw/zinc/43/03/59/387430359.db2.gz FOCQUBWWVTZUJR-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN Cc1cc(N)cc([N+](=O)[O-])c1OC(F)F ZINC000575720800 387442622 /nfs/dbraw/zinc/44/26/22/387442622.db2.gz CYACNDFASMUIEE-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Nc1cc(Cl)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575722981 387446641 /nfs/dbraw/zinc/44/66/41/387446641.db2.gz XXLKZKGRMYIIQD-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Nc1cc(Cl)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575722961 387446804 /nfs/dbraw/zinc/44/68/04/387446804.db2.gz WZYMNYRHXZUIJS-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN CCOc1cc(C)c([N+](=O)[O-])c(C=O)c1 ZINC000575698742 387391149 /nfs/dbraw/zinc/39/11/49/387391149.db2.gz HYOVFROEHGIDLY-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN CCOc1c(OC)cc(F)cc1[N+](=O)[O-] ZINC000575697293 387391273 /nfs/dbraw/zinc/39/12/73/387391273.db2.gz UXHGNJRLDVPMIT-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CCOc1cc(CO)c(CC)cc1[N+](=O)[O-] ZINC000575694572 387393917 /nfs/dbraw/zinc/39/39/17/387393917.db2.gz FRSGYLVFQSJNKX-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN CCOc1cc(OC)c([N+](=O)[O-])cc1C(C)=O ZINC000575698420 387394058 /nfs/dbraw/zinc/39/40/58/387394058.db2.gz PBTCBFQCDWVYBJ-UHFFFAOYSA-N 0 0 239.227 2.205 10 5 BEBERN CCOc1cc(OC)cc([N+](=O)[O-])c1C(C)=O ZINC000575698567 387395523 /nfs/dbraw/zinc/39/55/23/387395523.db2.gz YDCWBJVKEKCVJR-UHFFFAOYSA-N 0 0 239.227 2.205 10 5 BEBERN CCOc1cc(C=O)cc(CC)c1[N+](=O)[O-] ZINC000575695513 387395895 /nfs/dbraw/zinc/39/58/95/387395895.db2.gz JPFLIRVUJYSREQ-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CCOc1cc(F)c(OC)cc1[N+](=O)[O-] ZINC000575695738 387396087 /nfs/dbraw/zinc/39/60/87/387396087.db2.gz GADFSMNTSSOZIS-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CCOc1cc(O)c(CC)c([N+](=O)[O-])c1 ZINC000575695558 387396208 /nfs/dbraw/zinc/39/62/08/387396208.db2.gz KPJTUAFOFSYTNA-UHFFFAOYSA-N 0 0 211.217 2.262 10 5 BEBERN CSc1cc(C=O)cc([N+](=O)[O-])c1F ZINC000575708993 387414032 /nfs/dbraw/zinc/41/40/32/387414032.db2.gz GCPMECHLHQMFDJ-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN COC(=O)Cc1c(Cl)ccc(F)c1[N+](=O)[O-] ZINC000575712165 387415126 /nfs/dbraw/zinc/41/51/26/387415126.db2.gz DRDWPYFMTMNFPP-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COC(=O)Cc1cc(F)cc(Cl)c1[N+](=O)[O-] ZINC000575712075 387415715 /nfs/dbraw/zinc/41/57/15/387415715.db2.gz BLYKRDLSGJQRLL-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COC(=O)c1c(F)cc([N+](=O)[O-])cc1Cl ZINC000575712171 387416339 /nfs/dbraw/zinc/41/63/39/387416339.db2.gz FALYTAHKBFUIGI-UHFFFAOYSA-N 0 0 233.582 2.174 10 5 BEBERN COC(=O)Cc1cc([N+](=O)[O-])cc(Cl)c1F ZINC000575712596 387417524 /nfs/dbraw/zinc/41/75/24/387417524.db2.gz LXSGCPQTEKQTCU-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COc1c([N+](=O)[O-])ccc(N)c1C(F)(F)F ZINC000575729105 387469778 /nfs/dbraw/zinc/46/97/78/387469778.db2.gz JBDGWCHYQOJRRK-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1cc([N+](=O)[O-])c(C=O)c(C(F)(F)F)c1 ZINC000575729113 387470319 /nfs/dbraw/zinc/47/03/19/387470319.db2.gz BHHMMNJJRAZAKC-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1cc2nc(Cl)ncc2cc1[N+](=O)[O-] ZINC000575624566 387821585 /nfs/dbraw/zinc/82/15/85/387821585.db2.gz LJMYGIJNMGLGLA-UHFFFAOYSA-N 0 0 239.618 2.200 10 5 BEBERN COc1cc([N+](=O)[O-])cc(OC)c1OC(F)F ZINC000575653031 387894136 /nfs/dbraw/zinc/89/41/36/387894136.db2.gz RFGVDMXMDQXFHU-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN COc1ccc([N+](=O)[O-])c(OC(F)F)c1OC ZINC000575652169 387901012 /nfs/dbraw/zinc/90/10/12/387901012.db2.gz BRZNDWHCDGTUJB-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN COc1cc(OC)c([N+](=O)[O-])cc1OC(F)F ZINC000575652285 387901264 /nfs/dbraw/zinc/90/12/64/387901264.db2.gz CULYNGARJQZTMP-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN O=[N+]([O-])c1cc2c(ncnc2Cl)s1 ZINC000118255545 388726782 /nfs/dbraw/zinc/72/67/82/388726782.db2.gz XULYQYBOEGZFKK-UHFFFAOYSA-N 0 0 215.621 2.253 10 5 BEBERN Cc1nc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000095917978 388788640 /nfs/dbraw/zinc/78/86/40/388788640.db2.gz XVZCBCSMUPWTMU-UHFFFAOYSA-N 0 0 206.123 2.317 10 5 BEBERN Cc1cnc([C@@H](C)Nc2ncccc2[N+](=O)[O-])o1 ZINC000226546818 134366005 /nfs/dbraw/zinc/36/60/05/134366005.db2.gz OUXWHWGYKZLIGV-MRVPVSSYSA-N 0 0 248.242 2.459 10 5 BEBERN CCn1ccnc1COc1ccccc1[N+](=O)[O-] ZINC000195516688 134844119 /nfs/dbraw/zinc/84/41/19/134844119.db2.gz YTVMRLBHJKRHOI-UHFFFAOYSA-N 0 0 247.254 2.390 10 5 BEBERN CCOC(=O)c1c(C)cc(OC)cc1[N+](=O)[O-] ZINC000575675974 398047013 /nfs/dbraw/zinc/04/70/13/398047013.db2.gz ZYSNKXOKSXWLEK-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN COc1ccc(Cn2cccc2[N+](=O)[O-])cc1 ZINC000584613963 398077871 /nfs/dbraw/zinc/07/78/71/398077871.db2.gz QUABVOSQTSQCIJ-UHFFFAOYSA-N 0 0 232.239 2.453 10 5 BEBERN CC(C)(C)OCc1ccc(N)c([N+](=O)[O-])c1 ZINC000050832260 166684207 /nfs/dbraw/zinc/68/42/07/166684207.db2.gz FQZARZWQOCHCOW-UHFFFAOYSA-N 0 0 224.260 2.492 10 5 BEBERN CC(C)Nc1ncc([N+](=O)[O-])c(NC(C)C)n1 ZINC000039287044 167149768 /nfs/dbraw/zinc/14/97/68/167149768.db2.gz JMESDYOMGQPFMH-UHFFFAOYSA-N 0 0 239.279 2.025 10 5 BEBERN CC(C)[C@@H](C)CNc1c([N+](=O)[O-])ncn1C ZINC000113170278 167362931 /nfs/dbraw/zinc/36/29/31/167362931.db2.gz PMGBVEWWJJUKCZ-QMMMGPOBSA-N 0 0 226.280 2.032 10 5 BEBERN CCNc1cc(Br)ncc1[N+](=O)[O-] ZINC000168922259 170171630 /nfs/dbraw/zinc/17/16/30/170171630.db2.gz CJWGLCCOOXQJRC-UHFFFAOYSA-N 0 0 246.064 2.184 10 5 BEBERN CCOC(=O)C[C@@H](CC(C)C)[C@H](C)[N+](=O)[O-] ZINC000021988637 170231429 /nfs/dbraw/zinc/23/14/29/170231429.db2.gz DGATUCXCJUZUJD-VHSXEESVSA-N 0 0 231.292 2.267 10 5 BEBERN CCOC(=O)C[C@@]1(C[N+](=O)[O-])CC[C@H](C)C1 ZINC000095347580 170232463 /nfs/dbraw/zinc/23/24/63/170232463.db2.gz RWQOCDVVKSXCMT-GXSJLCMTSA-N 0 0 229.276 2.023 10 5 BEBERN CCOC(=O)C[C@H](CC(C)C)[C@@H](C)[N+](=O)[O-] ZINC000021988635 170233037 /nfs/dbraw/zinc/23/30/37/170233037.db2.gz DGATUCXCJUZUJD-ZJUUUORDSA-N 0 0 231.292 2.267 10 5 BEBERN CCOC(=O)[C@@H](C)c1ccc(F)cc1[N+](=O)[O-] ZINC000196198402 170248990 /nfs/dbraw/zinc/24/89/90/170248990.db2.gz KHPGZZURWOQWAS-ZETCQYMHSA-N 0 0 241.218 2.401 10 5 BEBERN CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1C ZINC000038999032 170293507 /nfs/dbraw/zinc/29/35/07/170293507.db2.gz DTGUXIWYZIAUIT-UHFFFAOYSA-N 0 0 248.238 2.263 10 5 BEBERN CC[C@@H](C)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000133042315 170676890 /nfs/dbraw/zinc/67/68/90/170676890.db2.gz YWZZGDAIFWQTCZ-SSDOTTSWSA-N 0 0 239.275 2.023 10 5 BEBERN CC[C@H](C)N(C)c1ccc([N+](=O)[O-])cc1N ZINC000052840457 171309467 /nfs/dbraw/zinc/30/94/67/171309467.db2.gz OWLYKTYJADHUFP-QMMMGPOBSA-N 0 0 223.276 2.412 10 5 BEBERN CCc1nc2c3cccnc3ccc2c(=O)[nH]1 ZINC000038272200 172009525 /nfs/dbraw/zinc/00/95/25/172009525.db2.gz MOAUZOXSWSJLKH-UHFFFAOYSA-N 0 0 225.251 2.034 10 5 BEBERN COc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000035224077 175017837 /nfs/dbraw/zinc/01/78/37/175017837.db2.gz YPWVLBBOCAZMOM-UHFFFAOYSA-N 0 0 210.233 2.424 10 5 BEBERN C[C@@H]1CCC[C@@H](n2ncc([N+](=O)[O-])c2N)C1 ZINC000043669442 176126223 /nfs/dbraw/zinc/12/62/23/176126223.db2.gz XWURHPRNZDRAMZ-HTQZYQBOSA-N 0 0 224.264 2.125 10 5 BEBERN C[C@H]1C[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000052291119 177350622 /nfs/dbraw/zinc/35/06/22/177350622.db2.gz BCJMDCZIJJTWRM-WDSKDSINSA-N 0 0 238.272 2.124 10 5 BEBERN Cc1c(NC(=O)N[C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000076033329 177617212 /nfs/dbraw/zinc/61/72/12/177617212.db2.gz WCBPZYIFSKCSHV-XCBNKYQSSA-N 0 0 249.270 2.433 10 5 BEBERN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000112255269 487923725 /nfs/dbraw/zinc/92/37/25/487923725.db2.gz ONNDAYPOOYBFBA-MRVPVSSYSA-N 0 0 238.291 2.319 10 5 BEBERN C[C@]1([N+](=O)[O-])O[C@H]1c1c(F)cccc1F ZINC000334163787 525314296 /nfs/dbraw/zinc/31/42/96/525314296.db2.gz FRXSMOPXPMMEAQ-IUCAKERBSA-N 0 0 215.155 2.029 10 5 BEBERN CCOc1ccc2oc(=O)c([N+](=O)[O-])cc2c1 ZINC000725256801 538059639 /nfs/dbraw/zinc/05/96/39/538059639.db2.gz WQIRKCNBBCTSQY-UHFFFAOYSA-N 0 0 235.195 2.100 10 5 BEBERN COC1CC(Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000230597276 632817514 /nfs/dbraw/zinc/81/75/14/632817514.db2.gz FXYVPDVWVHZXPS-UHFFFAOYSA-N 0 0 236.271 2.493 10 5 BEBERN COC1CC(Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000230595966 632818013 /nfs/dbraw/zinc/81/80/13/632818013.db2.gz LDAKCZWNYGMOLK-UHFFFAOYSA-N 0 0 236.271 2.493 10 5 BEBERN CCCOC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000044747849 640461854 /nfs/dbraw/zinc/46/18/54/640461854.db2.gz ZCBFKSSVVNJTKO-UHFFFAOYSA-N 0 0 223.228 2.470 10 5 BEBERN COCC1CC(Nc2ccccc2[N+](=O)[O-])C1 ZINC000713930100 712473736 /nfs/dbraw/zinc/47/37/36/712473736.db2.gz HYVZGLQVGRCJIT-UHFFFAOYSA-N 0 0 236.271 2.432 10 5 BEBERN Cc1cc(NCc2ccnn2C)ccc1[N+](=O)[O-] ZINC000042250451 178174421 /nfs/dbraw/zinc/17/44/21/178174421.db2.gz IDQYPKMDUQOQBH-UHFFFAOYSA-N 0 0 246.270 2.249 10 5 BEBERN Cc1cc(N[C@H](C)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000134959194 178186307 /nfs/dbraw/zinc/18/63/07/178186307.db2.gz TUSFNQMSFKRIFB-NXEZZACHSA-N 0 0 238.287 2.332 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@H]1C ZINC000075510616 178270982 /nfs/dbraw/zinc/27/09/82/178270982.db2.gz OZZTYSAFDYYEGD-KCJUWKMLSA-N 0 0 234.255 2.041 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1NCc1cncnc1 ZINC000054767588 178272960 /nfs/dbraw/zinc/27/29/60/178272960.db2.gz FPPCCRTYVBXJGU-UHFFFAOYSA-N 0 0 244.254 2.305 10 5 BEBERN Cc1ccc(-c2cnc(CN)o2)cc1[N+](=O)[O-] ZINC000075429857 178329338 /nfs/dbraw/zinc/32/93/38/178329338.db2.gz QXOMPPZRQYHOJY-UHFFFAOYSA-N 0 0 233.227 2.017 10 5 BEBERN O=c1c2c(O)cccc2oc2cccc(O)c21 ZINC000005085578 342758075 /nfs/dbraw/zinc/75/80/75/342758075.db2.gz XWPUJQLPABYIPZ-UHFFFAOYSA-N 0 0 228.203 2.357 10 5 BEBERN O=[N+]([O-])c1cncc2[nH]cc(Br)c21 ZINC000106485848 398284602 /nfs/dbraw/zinc/28/46/02/398284602.db2.gz QXUYKXGBNFJMPL-UHFFFAOYSA-N 0 0 242.032 2.234 10 5 BEBERN Nc1cccc([N+](=O)[O-])c1C(F)(F)F ZINC000163234852 398321412 /nfs/dbraw/zinc/32/14/12/398321412.db2.gz VXXVBAKSMDVCNF-UHFFFAOYSA-N 0 0 206.123 2.196 10 5 BEBERN O=Cc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000584880630 343081109 /nfs/dbraw/zinc/08/11/09/343081109.db2.gz JNENCYJPWNEJJL-UHFFFAOYSA-N 0 0 228.207 2.469 10 5 BEBERN O=[N+]([O-])c1nccc(OC(F)(F)F)c1CF ZINC000309312154 343221220 /nfs/dbraw/zinc/22/12/20/343221220.db2.gz MIIWZYJCKKHELX-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN C[Si](C)(C)c1ccc([N+](=O)[O-])c(F)c1 ZINC000202918877 343481781 /nfs/dbraw/zinc/48/17/81/343481781.db2.gz XBSYFWFTVVETPJ-UHFFFAOYSA-N 0 0 213.284 2.279 10 5 BEBERN CNc1c(F)c(F)c(F)cc1[N+](=O)[O-] ZINC000150054818 343465063 /nfs/dbraw/zinc/46/50/63/343465063.db2.gz FEZLIZWQNSRMAC-UHFFFAOYSA-N 0 0 206.123 2.054 10 5 BEBERN O=[N+]([O-])c1c[nH]c2ccc(Br)nc21 ZINC000044712852 343512771 /nfs/dbraw/zinc/51/27/71/343512771.db2.gz OCIVXCNQVWQXFR-UHFFFAOYSA-N 0 0 242.032 2.234 10 5 BEBERN Nc1nc(-c2cccs2)ccc1[N+](=O)[O-] ZINC000197034910 343639323 /nfs/dbraw/zinc/63/93/23/343639323.db2.gz LXINGEYOKPESGQ-UHFFFAOYSA-N 0 0 221.241 2.301 10 5 BEBERN Nc1ccc([N+](=O)[O-])cc1[C@H](O)c1ccccc1 ZINC000021951336 343822821 /nfs/dbraw/zinc/82/28/21/343822821.db2.gz FAPGAKBUPIMZPZ-CYBMUJFWSA-N 0 0 244.250 2.259 10 5 BEBERN C[C@@H](CO)[C@H](C)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000159255058 349880047 /nfs/dbraw/zinc/88/00/47/349880047.db2.gz AGQBXCNKFAJUIQ-YUMQZZPRSA-N 0 0 242.250 2.163 10 5 BEBERN CCOC(=O)/C=C\c1cc([N+](=O)[O-])ccc1F ZINC000098090002 187290248 /nfs/dbraw/zinc/29/02/48/187290248.db2.gz MIOPWTLOGXFJHE-UTCJRWHESA-N 0 0 239.202 2.310 10 5 BEBERN Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])n1 ZINC000238494811 344496536 /nfs/dbraw/zinc/49/65/36/344496536.db2.gz GAMDGUXJCDUIKK-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN C[C@@H]1CN[C@H](c2ccc([N+](=O)[O-])s2)S1 ZINC000235374164 344897585 /nfs/dbraw/zinc/89/75/85/344897585.db2.gz PFLUGDBTMBTDNL-XRGYYRRGSA-N 0 0 230.314 2.380 10 5 BEBERN O=[N+]([O-])c1nc(OC(F)(F)F)ccc1CF ZINC000309503378 347088063 /nfs/dbraw/zinc/08/80/63/347088063.db2.gz JAYWIBBUCXJYDB-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN Cc1cccc(C(=O)N[C@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000171056756 179024237 /nfs/dbraw/zinc/02/42/37/179024237.db2.gz MPQGTUNVEIEUAE-WPRPVWTQSA-N 0 0 234.255 2.041 10 5 BEBERN Cc1cccc(CNc2cc([N+](=O)[O-])ccn2)n1 ZINC000051576923 179102193 /nfs/dbraw/zinc/10/21/93/179102193.db2.gz ZPLYDLBXHGGTOO-UHFFFAOYSA-N 0 0 244.254 2.305 10 5 BEBERN Cc1cccc(NC[C@@H]2[C@H]3COC[C@H]32)c1[N+](=O)[O-] ZINC000367734899 179148731 /nfs/dbraw/zinc/14/87/31/179148731.db2.gz UJDBPACKTHBKLE-RTCCRHLQSA-N 0 0 248.282 2.208 10 5 BEBERN O=[N+]([O-])c1cnccc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000591991993 347721407 /nfs/dbraw/zinc/72/14/07/347721407.db2.gz ZGDREOAEFMKHGN-IVZWLZJFSA-N 0 0 233.271 2.012 10 5 BEBERN O=[N+]([O-])C[C@H](O)c1ccc(Cl)cc1Cl ZINC000196159621 347815524 /nfs/dbraw/zinc/81/55/24/347815524.db2.gz KIRFYBFKHJNCOB-QMMMGPOBSA-N 0 0 236.054 2.304 10 5 BEBERN C[C@@H]1OCC[C@H]1Nc1sccc1[N+](=O)[O-] ZINC000309042162 349368830 /nfs/dbraw/zinc/36/88/30/349368830.db2.gz LWSYRFXACCCVDT-NKWVEPMBSA-N 0 0 228.273 2.246 10 5 BEBERN C[C@H]1OCC[C@@H]1Nc1sccc1[N+](=O)[O-] ZINC000309042164 349368929 /nfs/dbraw/zinc/36/89/29/349368929.db2.gz LWSYRFXACCCVDT-RQJHMYQMSA-N 0 0 228.273 2.246 10 5 BEBERN Cc1nc2cc3ccccc3cc2[nH]c1=O ZINC000001857954 180086842 /nfs/dbraw/zinc/08/68/42/180086842.db2.gz WVSNNCAWNUZFHZ-UHFFFAOYSA-N 0 0 210.236 2.385 10 5 BEBERN Cc1ncc(-c2ccncc2)cc1[N+](=O)[O-] ZINC000035570483 180121890 /nfs/dbraw/zinc/12/18/90/180121890.db2.gz QKSZHROEFHUVOP-UHFFFAOYSA-N 0 0 215.212 2.360 10 5 BEBERN Cc1nccc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091364337 180180632 /nfs/dbraw/zinc/18/06/32/180180632.db2.gz MWOWFGCAKQCRTN-UHFFFAOYSA-N 0 0 215.212 2.360 10 5 BEBERN CC(C)(C)N1Cc2cc([N+](=O)[O-])ccc2C1=O ZINC000725266694 538096423 /nfs/dbraw/zinc/09/64/23/538096423.db2.gz LCZWLSZYBABZCW-UHFFFAOYSA-N 0 0 234.255 2.349 10 5 BEBERN NNc1cc2cc([N+](=O)[O-])ccc2nc1C1CC1 ZINC000725268046 538099603 /nfs/dbraw/zinc/09/96/03/538099603.db2.gz GWFIPFAKDKNYOP-UHFFFAOYSA-N 0 0 244.254 2.306 10 5 BEBERN Cc1c(O)ccc(Br)c1[N+](=O)[O-] ZINC000306713735 350875178 /nfs/dbraw/zinc/87/51/78/350875178.db2.gz DBUAHWVYMXDBDZ-UHFFFAOYSA-N 0 0 232.033 2.371 10 5 BEBERN CC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000034973015 351370478 /nfs/dbraw/zinc/37/04/78/351370478.db2.gz LXIRZQMZOGSLEX-QWRGUYRKSA-N 0 0 205.213 2.287 10 5 BEBERN Cc1ccc(C=O)c(Br)c1[N+](=O)[O-] ZINC000307022259 351426797 /nfs/dbraw/zinc/42/67/97/351426797.db2.gz DTRAUHGFCZWYPF-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN O=[N+]([O-])c1cc(F)c(F)cc1OCF ZINC000307025909 351434768 /nfs/dbraw/zinc/43/47/68/351434768.db2.gz IDXQCECIJHTZSK-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN CC(=O)c1ccc(F)c(F)c1[N+](=O)[O-] ZINC000307012770 351420006 /nfs/dbraw/zinc/42/00/06/351420006.db2.gz QJCAYCXUVCQIMF-UHFFFAOYSA-N 0 0 201.128 2.076 10 5 BEBERN Cc1cc([N+](=O)[O-])cc(Br)c1C=O ZINC000307178692 351565378 /nfs/dbraw/zinc/56/53/78/351565378.db2.gz KVIPWACPQRUQGG-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN Cn1c2cc([N+](=O)[O-])ccc2nc1C1CC1 ZINC000090367528 180616081 /nfs/dbraw/zinc/61/60/81/180616081.db2.gz NOHMGPQIKXVUOL-UHFFFAOYSA-N 0 0 217.228 2.359 10 5 BEBERN O=c1[nH]cc(C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000168380187 352085277 /nfs/dbraw/zinc/08/52/77/352085277.db2.gz VILCAURZQSGOSX-UHFFFAOYSA-N 0 0 230.223 2.314 10 5 BEBERN C[C@H](Nc1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000035763551 187595355 /nfs/dbraw/zinc/59/53/55/187595355.db2.gz WIDWYVWDZRKNIS-QMMMGPOBSA-N 0 0 232.243 2.491 10 5 BEBERN C[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000052291498 187610323 /nfs/dbraw/zinc/61/03/23/187610323.db2.gz AZXKVKSFLNSHPM-MUWHJKNJSA-N 0 0 237.215 2.323 10 5 BEBERN Cc1cc(Br)cc([N+](=O)[O-])n1 ZINC000307436963 352596146 /nfs/dbraw/zinc/59/61/46/352596146.db2.gz RLEPXCPOCFPDLK-UHFFFAOYSA-N 0 0 217.022 2.061 10 5 BEBERN O=Cc1ccc(F)c([N+](=O)[O-])c1Br ZINC000307448759 352603050 /nfs/dbraw/zinc/60/30/50/352603050.db2.gz MSJUMOYFQSWHIT-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN Cc1cc([N+](=O)[O-])c(Br)cc1CO ZINC000307551366 352648851 /nfs/dbraw/zinc/64/88/51/352648851.db2.gz SEPMDIQRBVZVMV-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN O=[N+]([O-])c1cc(Br)c(Cl)cn1 ZINC000307517914 352632987 /nfs/dbraw/zinc/63/29/87/352632987.db2.gz UMMQWHCYIUJTON-UHFFFAOYSA-N 0 0 237.440 2.406 10 5 BEBERN O=Cc1cc(Br)c(F)c([N+](=O)[O-])c1 ZINC000307627042 352708331 /nfs/dbraw/zinc/70/83/31/352708331.db2.gz RMGZODMJUKZJNM-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN CC(=O)c1c(C)n(O)c2cc([N+](=O)[O-])ccc12 ZINC000090367534 188271772 /nfs/dbraw/zinc/27/17/72/188271772.db2.gz FTSXNNNWMVHUOR-UHFFFAOYSA-N 0 0 234.211 2.298 10 5 BEBERN C/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000095081678 188319294 /nfs/dbraw/zinc/31/92/94/188319294.db2.gz YIXZESGJBGSPNH-ARJAWSKDSA-N 0 0 236.227 2.118 10 5 BEBERN CCn1nc(C)c(/C=C(\C)[N+](=O)[O-])c1C ZINC000307977220 353373618 /nfs/dbraw/zinc/37/36/18/353373618.db2.gz XRKDMTLFCOOERG-VOTSOKGWSA-N 0 0 209.249 2.157 10 5 BEBERN Cc1n[nH]cc1-c1ccc([N+](=O)[O-])cc1 ZINC000196530543 538470201 /nfs/dbraw/zinc/47/02/01/538470201.db2.gz GJWDUXADZJEJDI-UHFFFAOYSA-N 0 0 203.201 2.293 10 5 BEBERN C[C@@H]1Cc2ccc([N+](=O)[O-])cc2C(=O)C1 ZINC000675077205 538512282 /nfs/dbraw/zinc/51/22/82/538512282.db2.gz ARJKVLHDMIQBOC-SSDOTTSWSA-N 0 0 205.213 2.360 10 5 BEBERN C[C@@H](O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000035322949 357068641 /nfs/dbraw/zinc/06/86/41/357068641.db2.gz QVXFCFXDPDWGNG-RXMQYKEDSA-N 0 0 246.060 2.411 10 5 BEBERN Cc1ccc(N2CC(C)(C)C2=O)c([N+](=O)[O-])c1 ZINC000035635903 358009166 /nfs/dbraw/zinc/00/91/66/358009166.db2.gz ZLSOQPQQZWRMBK-UHFFFAOYSA-N 0 0 234.255 2.276 10 5 BEBERN Cc1cccc(N[C@H](C)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000218858562 134264976 /nfs/dbraw/zinc/26/49/76/134264976.db2.gz VIIIOABLBXSFQX-VHSXEESVSA-N 0 0 238.287 2.332 10 5 BEBERN Cc1cccc(N[C@@H](C)[C@H](C)CO)c1[N+](=O)[O-] ZINC000218858625 134265060 /nfs/dbraw/zinc/26/50/60/134265060.db2.gz VIIIOABLBXSFQX-ZJUUUORDSA-N 0 0 238.287 2.332 10 5 BEBERN CC(C)c1ccc([C@H](O)C[N+](=O)[O-])cc1 ZINC000584613546 358277966 /nfs/dbraw/zinc/27/79/66/358277966.db2.gz RAGTYARETDVTFP-LLVKDONJSA-N 0 0 209.245 2.120 10 5 BEBERN Cc1ccccc1-n1ccc([N+](=O)[O-])n1 ZINC000584613578 358278032 /nfs/dbraw/zinc/27/80/32/358278032.db2.gz XKJLKWHFKCMXMC-UHFFFAOYSA-N 0 0 203.201 2.089 10 5 BEBERN O=[N+]([O-])c1ccccc1[C@H](O)c1ccncc1 ZINC000584608126 358268259 /nfs/dbraw/zinc/26/82/59/358268259.db2.gz SZPZAHVJIQVVHN-GFCCVEGCSA-N 0 0 230.223 2.072 10 5 BEBERN Cc1ccc(C(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000584609176 358269816 /nfs/dbraw/zinc/26/98/16/358269816.db2.gz FGCRCCXLHWTYQH-UHFFFAOYSA-N 0 0 230.223 2.462 10 5 BEBERN O=[N+]([O-])C[C@H](CCO)c1ccc(Cl)cc1 ZINC000584610506 358273753 /nfs/dbraw/zinc/27/37/53/358273753.db2.gz IBKKUFHZSOZLBK-VIFPVBQESA-N 0 0 229.663 2.083 10 5 BEBERN Cc1c([N+](=O)[O-])cnn1Cc1cccc(F)c1 ZINC000584619183 358285540 /nfs/dbraw/zinc/28/55/40/358285540.db2.gz LLVYXGSVUHSMPK-UHFFFAOYSA-N 0 0 235.218 2.287 10 5 BEBERN O=c1[nH]cc2ccc3ncnc4ccc1c2c34 ZINC000584639839 358325668 /nfs/dbraw/zinc/32/56/68/358325668.db2.gz FDCNELBMHYWJDM-UHFFFAOYSA-N 0 0 221.219 2.475 10 5 BEBERN CCNc1ccc(Br)nc1[N+](=O)[O-] ZINC000306245176 359425265 /nfs/dbraw/zinc/42/52/65/359425265.db2.gz YQWGQDYOINNRLQ-UHFFFAOYSA-N 0 0 246.064 2.184 10 5 BEBERN CC(C)=CCn1cc(Cl)c([N+](=O)[O-])n1 ZINC000069760133 360407140 /nfs/dbraw/zinc/40/71/40/360407140.db2.gz IWCNFJIKGQCFHN-UHFFFAOYSA-N 0 0 215.640 2.411 10 5 BEBERN O=[N+]([O-])c1nccc(F)c1OC(F)(F)F ZINC000238573834 361157437 /nfs/dbraw/zinc/15/74/37/361157437.db2.gz AQVWXBUUSRMNCF-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1cnc(OC(F)(F)F)c(F)c1 ZINC000238609416 361163522 /nfs/dbraw/zinc/16/35/22/361163522.db2.gz NGGNTECGORTGGB-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN Nc1ccc([N+](=O)[O-])c(Br)c1F ZINC000238602667 361165044 /nfs/dbraw/zinc/16/50/44/361165044.db2.gz CHJJAUJEDDAXIM-UHFFFAOYSA-N 0 0 235.012 2.079 10 5 BEBERN O=Cc1ccc(N2CCCCC2)cc1[N+](=O)[O-] ZINC000143317383 541353110 /nfs/dbraw/zinc/35/31/10/541353110.db2.gz FSAZSOJAHIAQEQ-UHFFFAOYSA-N 0 0 234.255 2.398 10 5 BEBERN Cc1ccc(NCC2CC(O)C2)c([N+](=O)[O-])c1 ZINC000091525008 369423742 /nfs/dbraw/zinc/42/37/42/369423742.db2.gz IXSSACLWGOTYFC-UHFFFAOYSA-N 0 0 236.271 2.086 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1NCC1CC(O)C1 ZINC000091525009 369423971 /nfs/dbraw/zinc/42/39/71/369423971.db2.gz QNKCORFUBCFBID-UHFFFAOYSA-N 0 0 236.271 2.086 10 5 BEBERN CC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000307315514 372110197 /nfs/dbraw/zinc/11/01/97/372110197.db2.gz XWLDFCLQYOPYQQ-UHFFFAOYSA-N 0 0 201.128 2.076 10 5 BEBERN COc1cc(C)c([N+](=O)[O-])cc1C(C)=O ZINC000396128629 259550470 /nfs/dbraw/zinc/55/04/70/259550470.db2.gz ARFAAUXUMJPFJR-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN O=[N+]([O-])c1ccc([C@H](O)c2ccccn2)cc1 ZINC000038589319 372707748 /nfs/dbraw/zinc/70/77/48/372707748.db2.gz NHOHLTGJASEZQM-LBPRGKRZSA-N 0 0 230.223 2.072 10 5 BEBERN C[C@H]([C@@H](O)c1ccc(C(F)(F)F)cc1)[N+](=O)[O-] ZINC000038869523 372795362 /nfs/dbraw/zinc/79/53/62/372795362.db2.gz ATUMVGCOAUQVPS-HZGVNTEJSA-N 0 0 249.188 2.404 10 5 BEBERN C[C@H]([C@H](O)c1ccc(C(F)(F)F)cc1)[N+](=O)[O-] ZINC000038869521 372795411 /nfs/dbraw/zinc/79/54/11/372795411.db2.gz ATUMVGCOAUQVPS-MUWHJKNJSA-N 0 0 249.188 2.404 10 5 BEBERN C[C@@H]([C@H](O)c1ccc(C(F)(F)F)cc1)[N+](=O)[O-] ZINC000038869520 372795696 /nfs/dbraw/zinc/79/56/96/372795696.db2.gz ATUMVGCOAUQVPS-RCOVLWMOSA-N 0 0 249.188 2.404 10 5 BEBERN O=C(Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000034940341 182046719 /nfs/dbraw/zinc/04/67/19/182046719.db2.gz NFPLFWLKMUAUQW-UHFFFAOYSA-N 0 0 242.234 2.415 10 5 BEBERN C[C@H]([C@H](O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000141856208 373052722 /nfs/dbraw/zinc/05/27/22/373052722.db2.gz KZVZAZURGOJMSB-MUWHJKNJSA-N 0 0 215.636 2.039 10 5 BEBERN O=C(Cn1cccc1)c1ccc([N+](=O)[O-])cc1 ZINC000073199841 182066825 /nfs/dbraw/zinc/06/68/25/182066825.db2.gz ILLXDTISBBMYGM-UHFFFAOYSA-N 0 0 230.223 2.279 10 5 BEBERN O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccn1 ZINC000146264165 182376928 /nfs/dbraw/zinc/37/69/28/182376928.db2.gz QJJXIGSPVCBZQI-UHFFFAOYSA-N 0 0 243.222 2.242 10 5 BEBERN O=[N+]([O-])CCc1ccc(F)cc1Br ZINC000030678568 182919720 /nfs/dbraw/zinc/91/97/20/182919720.db2.gz IAQZYZBEYANPGO-UHFFFAOYSA-N 0 0 248.051 2.407 10 5 BEBERN O=[N+]([O-])c1cc2ccsc2cc1CCO ZINC000039150165 182926322 /nfs/dbraw/zinc/92/63/22/182926322.db2.gz CKPYKTBJJJYBKM-UHFFFAOYSA-N 0 0 223.253 2.344 10 5 BEBERN O=[N+]([O-])c1ccc(F)cc1NC1(CO)CCC1 ZINC000122988319 182932050 /nfs/dbraw/zinc/93/20/50/182932050.db2.gz SGNKDUSQLNAQLR-UHFFFAOYSA-N 0 0 240.234 2.061 10 5 BEBERN CCCN(C)c1ccc([N+](=O)[O-])cc1N ZINC000052840451 169088103 /nfs/dbraw/zinc/08/81/03/169088103.db2.gz SMYPCIVPGRTQDQ-UHFFFAOYSA-N 0 0 209.249 2.023 10 5 BEBERN CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000111769043 383878387 /nfs/dbraw/zinc/87/83/87/383878387.db2.gz XVCUNJBNHUICES-SECBINFHSA-N 0 0 236.271 2.432 10 5 BEBERN O=Cc1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000036723390 383907222 /nfs/dbraw/zinc/90/72/22/383907222.db2.gz UCNDXESPXKOMEU-UHFFFAOYSA-N 0 0 217.127 2.009 10 5 BEBERN O=[N+]([O-])c1ccccc1CNC(F)(F)F ZINC000095079748 384358648 /nfs/dbraw/zinc/35/86/48/384358648.db2.gz JKBNIDJOTPHYDO-UHFFFAOYSA-N 0 0 220.150 2.204 10 5 BEBERN CCc1ccc([N+](=O)[O-])c(OC(F)F)c1O ZINC000575659490 384406951 /nfs/dbraw/zinc/40/69/51/384406951.db2.gz HGSRCEJXWHOQJN-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN CCOC(=O)c1cc([N+](=O)[O-])cnc1C1CC1 ZINC000584883673 384391293 /nfs/dbraw/zinc/39/12/93/384391293.db2.gz ZJEYKYUHIPTNQL-UHFFFAOYSA-N 0 0 236.227 2.044 10 5 BEBERN COc1cc(O)cc([N+](=O)[O-])c1C(F)F ZINC000575669502 384453522 /nfs/dbraw/zinc/45/35/22/384453522.db2.gz YHYWFFHDAFBBRA-UHFFFAOYSA-N 0 0 219.143 2.247 10 5 BEBERN CC(=O)c1c(O)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575667543 384443407 /nfs/dbraw/zinc/44/34/07/384443407.db2.gz GVHHEPIMGBIURL-UHFFFAOYSA-N 0 0 231.154 2.441 10 5 BEBERN CCOC(=O)c1c(O)cc(Cl)cc1[N+](=O)[O-] ZINC000575700309 384737047 /nfs/dbraw/zinc/73/70/47/384737047.db2.gz GMZUMUFIQQREHW-UHFFFAOYSA-N 0 0 245.618 2.131 10 5 BEBERN O=[N+]([O-])c1ccccc1[C@H](O)c1ccccn1 ZINC000098209751 385209363 /nfs/dbraw/zinc/20/93/63/385209363.db2.gz JHJRZSMXOMQRFY-LBPRGKRZSA-N 0 0 230.223 2.072 10 5 BEBERN C[C@H]1OCC[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000149969938 385535365 /nfs/dbraw/zinc/53/53/65/385535365.db2.gz UYOIQCGENFOZJL-VXNVDRBHSA-N 0 0 240.234 2.323 10 5 BEBERN Cc1noc(C)c1-c1ccc([N+](=O)[O-])nc1 ZINC000584645721 385719106 /nfs/dbraw/zinc/71/91/06/385719106.db2.gz DAQMKMVJLUGDCY-UHFFFAOYSA-N 0 0 219.200 2.262 10 5 BEBERN O=[N+]([O-])c1ccc(Br)[nH]c1=S ZINC000307406541 386637101 /nfs/dbraw/zinc/63/71/01/386637101.db2.gz MUUDQMRZESZWHW-UHFFFAOYSA-N 0 0 235.062 2.041 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]2O)c1 ZINC000268028233 386769315 /nfs/dbraw/zinc/76/93/15/386769315.db2.gz JZIOZYHJAZRJAR-SKDRFNHKSA-N 0 0 236.271 2.229 10 5 BEBERN CCOC(=O)Cc1ccc(C)c(F)c1[N+](=O)[O-] ZINC000575397277 386998707 /nfs/dbraw/zinc/99/87/07/386998707.db2.gz PPXSLADYNLJYGO-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOc1cc(OC(F)F)c(O)cc1[N+](=O)[O-] ZINC000575657039 387044117 /nfs/dbraw/zinc/04/41/17/387044117.db2.gz INTKEKJNWDPAJS-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN CCOc1ccc([N+](=O)[O-])c(OC(F)F)c1O ZINC000575657878 387045928 /nfs/dbraw/zinc/04/59/28/387045928.db2.gz MQTTZZOMYMAAAZ-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN CCc1cc(OC(F)F)c(O)c([N+](=O)[O-])c1 ZINC000575658631 387048069 /nfs/dbraw/zinc/04/80/69/387048069.db2.gz CXVDHVIEEZLTOF-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN CCc1cc(CO)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575659668 387052944 /nfs/dbraw/zinc/05/29/44/387052944.db2.gz ORXUTTTURQOUEG-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CCc1c(CO)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575659949 387053041 /nfs/dbraw/zinc/05/30/41/387053041.db2.gz QCDWASZFZSUTKC-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CCc1c(CO)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575659927 387053224 /nfs/dbraw/zinc/05/32/24/387053224.db2.gz PRBKHQVFDLGPFV-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CCc1cc(OC(F)F)c(CO)c([N+](=O)[O-])c1 ZINC000575660413 387053824 /nfs/dbraw/zinc/05/38/24/387053824.db2.gz VLQSOZACKYXRLR-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CCc1ccc(OC(F)F)c(CO)c1[N+](=O)[O-] ZINC000575660493 387054567 /nfs/dbraw/zinc/05/45/67/387054567.db2.gz WYESQMGRPWVHOG-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN O=[N+]([O-])c1cc(F)c([O-])cc1OC(F)F ZINC000575661377 387060589 /nfs/dbraw/zinc/06/05/89/387060589.db2.gz NCHSMYAGAFLICV-UHFFFAOYSA-N 0 0 223.106 2.041 10 5 BEBERN Cc1ccc([N+](=O)[O-])cc1NCc1ccn(C)n1 ZINC000212173090 387019956 /nfs/dbraw/zinc/01/99/56/387019956.db2.gz QRMPZZGTJIIUAB-UHFFFAOYSA-N 0 0 246.270 2.249 10 5 BEBERN COc1c(C=O)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575664745 387312131 /nfs/dbraw/zinc/31/21/31/387312131.db2.gz KIZMBWYOYVEZDD-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN COc1c(C=O)ccc([N+](=O)[O-])c1OC(F)F ZINC000575665180 387314228 /nfs/dbraw/zinc/31/42/28/387314228.db2.gz OXDLATUUZMJNHI-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN COc1cc(OC(F)F)c([N+](=O)[O-])cc1C=O ZINC000575665612 387315452 /nfs/dbraw/zinc/31/54/52/387315452.db2.gz RLBPKWYAKFREKW-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN Cc1c(O)ccc([N+](=O)[O-])c1OC(F)F ZINC000575667365 387317782 /nfs/dbraw/zinc/31/77/82/387317782.db2.gz MPVWELJFSIGCKS-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN Cc1cc([N+](=O)[O-])c(C=O)cc1OC(F)F ZINC000575666627 387318715 /nfs/dbraw/zinc/31/87/15/387318715.db2.gz KCSMVENQORUVJM-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN O=[N+]([O-])c1ccc([C@@H]2C[C@@H]2[C@H]2C[C@@H]2[N+](=O)[O-])cc1 ZINC000575602479 387370306 /nfs/dbraw/zinc/37/03/06/387370306.db2.gz PVIUPUUTGBJEJK-YFKTTZPYSA-N 0 0 248.238 2.364 10 5 BEBERN Cc1ccc(OC(F)F)c([N+](=O)[O-])c1C=O ZINC000575668210 387324678 /nfs/dbraw/zinc/32/46/78/387324678.db2.gz SEWWPAHSGGVLMG-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN Cc1c(C=O)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575668972 387325659 /nfs/dbraw/zinc/32/56/59/387325659.db2.gz WGICSLRXZSUVCB-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN O=[N+]([O-])c1cc(CO)c(F)c(C(F)F)c1 ZINC000575669961 387332907 /nfs/dbraw/zinc/33/29/07/387332907.db2.gz UDIKIIGYAJYFLY-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN COc1cc([N+](=O)[O-])cc(C=O)c1C(F)F ZINC000575670707 387333866 /nfs/dbraw/zinc/33/38/66/387333866.db2.gz KQEXRHNMBAFMIY-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN COc1cc([N+](=O)[O-])cc(CO)c1C(F)F ZINC000575672218 387337423 /nfs/dbraw/zinc/33/74/23/387337423.db2.gz UAELREXDLLAYJZ-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN COc1cc(C=O)c(C(F)F)cc1[N+](=O)[O-] ZINC000575671727 387337809 /nfs/dbraw/zinc/33/78/09/387337809.db2.gz LNSIOUOIWBKPCH-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN CCOC(=O)c1cc(C)c([N+](=O)[O-])c(OC)c1 ZINC000575673803 387342478 /nfs/dbraw/zinc/34/24/78/387342478.db2.gz OPLKQVBQRWSSKL-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN COc1cc([N+](=O)[O-])cc(C(C)=O)c1C ZINC000575673735 387343165 /nfs/dbraw/zinc/34/31/65/387343165.db2.gz NIBKXJGSGFBJAX-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN CC(=O)c1ccc(Cl)c(N)c1[N+](=O)[O-] ZINC000575716006 387431027 /nfs/dbraw/zinc/43/10/27/387431027.db2.gz FBJSOQBBEHOOBC-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1c(N)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575719932 387439129 /nfs/dbraw/zinc/43/91/29/387439129.db2.gz PFONMFKAZIIZLI-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN Cc1c(N)c([N+](=O)[O-])ccc1OC(F)F ZINC000575720781 387443389 /nfs/dbraw/zinc/44/33/89/387443389.db2.gz CRYZPPRQCXJBBL-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(OC)c1F ZINC000575695254 387394382 /nfs/dbraw/zinc/39/43/82/387394382.db2.gz DJJKGDQWBFVGPK-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CCOc1cc(CC)c([N+](=O)[O-])c(CO)c1 ZINC000575695397 387395412 /nfs/dbraw/zinc/39/54/12/387395412.db2.gz IAZILBOATRQVTB-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN CCOc1cc(CO)c([N+](=O)[O-])cc1CC ZINC000575696989 387396918 /nfs/dbraw/zinc/39/69/18/387396918.db2.gz PVANGBCGQORCLT-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN CCOc1cc(C=O)c(C)cc1[N+](=O)[O-] ZINC000575699268 387402372 /nfs/dbraw/zinc/40/23/72/387402372.db2.gz SBYJGHGPUDOCMV-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN CSc1ccc(F)c([N+](=O)[O-])c1C=O ZINC000575708617 387413979 /nfs/dbraw/zinc/41/39/79/387413979.db2.gz FHTTWMROTQNVSV-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN COC(=O)Cc1cc(F)cc([N+](=O)[O-])c1Cl ZINC000575713332 387416167 /nfs/dbraw/zinc/41/61/67/387416167.db2.gz XQDHMADKPLRTET-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COC(=O)c1c(Cl)cc(OC)cc1[N+](=O)[O-] ZINC000575713022 387416719 /nfs/dbraw/zinc/41/67/19/387416719.db2.gz NAYXVPHJIJVRHY-UHFFFAOYSA-N 0 0 245.618 2.043 10 5 BEBERN COC(=O)Cc1cc([N+](=O)[O-])cc(F)c1Cl ZINC000575713214 387416927 /nfs/dbraw/zinc/41/69/27/387416927.db2.gz TXOGUQCIKUFLPD-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COC(=O)Cc1c(F)ccc([N+](=O)[O-])c1Cl ZINC000575712473 387417137 /nfs/dbraw/zinc/41/71/37/387417137.db2.gz HKRNQTBNUGMXKT-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COC(=O)c1cc(Cl)c(OC)cc1[N+](=O)[O-] ZINC000575713155 387417169 /nfs/dbraw/zinc/41/71/69/387417169.db2.gz QJPLYQZQWHFAQY-UHFFFAOYSA-N 0 0 245.618 2.043 10 5 BEBERN COC(=O)Cc1cc(Cl)cc(F)c1[N+](=O)[O-] ZINC000575712855 387417266 /nfs/dbraw/zinc/41/72/66/387417266.db2.gz PHQAGSJQHAFUKL-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN Cc1sc(C(=O)N[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000075516866 387523941 /nfs/dbraw/zinc/52/39/41/387523941.db2.gz VRUHXTAAICZKTF-VDTYLAMSSA-N 0 0 240.284 2.103 10 5 BEBERN COc1c(OC(F)F)ccc([N+](=O)[O-])c1OC ZINC000575652599 387902028 /nfs/dbraw/zinc/90/20/28/387902028.db2.gz IMQYAOFIAHQVSN-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN COC(=O)c1c(Cl)c(F)ccc1[N+](=O)[O-] ZINC000238855167 388259373 /nfs/dbraw/zinc/25/93/73/388259373.db2.gz QRBHOOOOVVYYAT-UHFFFAOYSA-N 0 0 233.582 2.174 10 5 BEBERN CC(C)(C)OC(=O)Nc1cccnc1[N+](=O)[O-] ZINC000299889768 388344784 /nfs/dbraw/zinc/34/47/84/388344784.db2.gz OJYAKOQRTOAEHH-UHFFFAOYSA-N 0 0 239.231 2.337 10 5 BEBERN O=[N+]([O-])c1ccc(F)cc1N1CCCC1 ZINC000302865025 388346667 /nfs/dbraw/zinc/34/66/67/388346667.db2.gz TZUOPVNRWVSXNC-UHFFFAOYSA-N 0 0 210.208 2.334 10 5 BEBERN Cc1c(NC(=O)N[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000076033327 388370044 /nfs/dbraw/zinc/37/00/44/388370044.db2.gz WCBPZYIFSKCSHV-XVKPBYJWSA-N 0 0 249.270 2.433 10 5 BEBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H]1C ZINC000076032866 388370093 /nfs/dbraw/zinc/37/00/93/388370093.db2.gz FFKQPYMNKOVKDP-WPRPVWTQSA-N 0 0 249.270 2.433 10 5 BEBERN Cc1n[nH]c(C)c1[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000090469423 388503685 /nfs/dbraw/zinc/50/36/85/388503685.db2.gz BKSIQMKWNXJDTQ-LBPRGKRZSA-N 0 0 245.282 2.435 10 5 BEBERN Cc1n[nH]c(C)c1[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000090469424 388503828 /nfs/dbraw/zinc/50/38/28/388503828.db2.gz BKSIQMKWNXJDTQ-GFCCVEGCSA-N 0 0 245.282 2.435 10 5 BEBERN O=[N+]([O-])c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)nc1 ZINC000301434110 388583153 /nfs/dbraw/zinc/58/31/53/388583153.db2.gz RHSZYRKRHFRJTQ-QWRGUYRKSA-N 0 0 245.282 2.392 10 5 BEBERN CC(C)(C)c1cc([N+](=O)[O-])cc(N)c1N ZINC000095930811 388792474 /nfs/dbraw/zinc/79/24/74/388792474.db2.gz PKBADDLMSABQDE-UHFFFAOYSA-N 0 0 209.249 2.057 10 5 BEBERN CC(C)(C)[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000283123750 388823153 /nfs/dbraw/zinc/82/31/53/388823153.db2.gz SRCHTSSDNYJJTD-NSHDSACASA-N 0 0 239.271 2.381 10 5 BEBERN CCOC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000001601549 135389722 /nfs/dbraw/zinc/38/97/22/135389722.db2.gz JYHCEGLQUPUOMI-UHFFFAOYSA-N 0 0 215.230 2.141 10 5 BEBERN Cc1cccc(OCC(C)(C)[N+](=O)[O-])c1 ZINC000584645844 398055473 /nfs/dbraw/zinc/05/54/73/398055473.db2.gz GHEKMWUMVYWUHD-UHFFFAOYSA-N 0 0 209.245 2.429 10 5 BEBERN COCc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000114333947 398122214 /nfs/dbraw/zinc/12/22/14/398122214.db2.gz SDFIMVJIVRSMCL-UHFFFAOYSA-N 0 0 224.241 2.351 10 5 BEBERN CC(C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000120287729 167086269 /nfs/dbraw/zinc/08/62/69/167086269.db2.gz IJGRLKHUMPZLHH-UHFFFAOYSA-N 0 0 247.254 2.214 10 5 BEBERN CC(C)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000034482363 167148861 /nfs/dbraw/zinc/14/88/61/167148861.db2.gz PQOMGRCQIMUJID-UHFFFAOYSA-N 0 0 220.232 2.291 10 5 BEBERN CC(C)Nc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000053750583 167149188 /nfs/dbraw/zinc/14/91/88/167149188.db2.gz WMFQHFUGWZXWEG-UHFFFAOYSA-N 0 0 248.242 2.465 10 5 BEBERN CCN(c1ccc([N+](=O)[O-])cc1N)C(C)C ZINC000052840440 169942714 /nfs/dbraw/zinc/94/27/14/169942714.db2.gz VLQIRDDKRIJWHN-UHFFFAOYSA-N 0 0 223.276 2.412 10 5 BEBERN CCc1cncc([N+](=O)[O-])c1OC1CC1 ZINC000095727801 171922047 /nfs/dbraw/zinc/92/20/47/171922047.db2.gz RXSHGZQPWXYMNY-UHFFFAOYSA-N 0 0 208.217 2.093 10 5 BEBERN CNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000035340719 173480403 /nfs/dbraw/zinc/48/04/03/173480403.db2.gz QWSKSZGPDQVPMT-UHFFFAOYSA-N 0 0 203.201 2.185 10 5 BEBERN COCCCN(C)c1cc(F)ccc1[N+](=O)[O-] ZINC000302815940 174220024 /nfs/dbraw/zinc/22/00/24/174220024.db2.gz LCDPCLAHTJRHJJ-UHFFFAOYSA-N 0 0 242.250 2.207 10 5 BEBERN COCCCNc1cc(F)ccc1[N+](=O)[O-] ZINC000052119413 174252428 /nfs/dbraw/zinc/25/24/28/174252428.db2.gz JISZNFARCQXQKN-UHFFFAOYSA-N 0 0 228.223 2.182 10 5 BEBERN COc1ccc(C=O)c([N+](=O)[O-])c1Cl ZINC000222961303 175086354 /nfs/dbraw/zinc/08/63/54/175086354.db2.gz CRRVSCMAJBWZMT-UHFFFAOYSA-N 0 0 215.592 2.069 10 5 BEBERN COc1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000020003626 175149848 /nfs/dbraw/zinc/14/98/48/175149848.db2.gz GSXUKCFQEQEODA-UHFFFAOYSA-N 0 0 208.217 2.178 10 5 BEBERN COc1nc(N)c([N+](=O)[O-])cc1-c1ccccc1 ZINC000098180694 175392946 /nfs/dbraw/zinc/39/29/46/175392946.db2.gz KUIKZCDSDMGWER-UHFFFAOYSA-N 0 0 245.238 2.248 10 5 BEBERN C[C@@H]1CCCN1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037911684 176108710 /nfs/dbraw/zinc/10/87/10/176108710.db2.gz IPFMHYMQRWYKOL-SNVBAGLBSA-N 0 0 248.282 2.262 10 5 BEBERN C[C@@H]1CCCN1c1ccc(CO)cc1[N+](=O)[O-] ZINC000037911394 176111916 /nfs/dbraw/zinc/11/19/16/176111916.db2.gz QUAHCOCYMCFRAR-SECBINFHSA-N 0 0 236.271 2.076 10 5 BEBERN C[C@H](O)c1c(Br)cccc1[N+](=O)[O-] ZINC000299889483 177015852 /nfs/dbraw/zinc/01/58/52/177015852.db2.gz JYZLFIIFSPITJR-YFKPBYRVSA-N 0 0 246.060 2.411 10 5 BEBERN C[C@@H](O)[C@H](C)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC000229760154 177021721 /nfs/dbraw/zinc/02/17/21/177021721.db2.gz AMTKCVSYEFBPQG-RQJHMYQMSA-N 0 0 245.662 2.396 10 5 BEBERN C[C@H]1C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000170793499 177347997 /nfs/dbraw/zinc/34/79/97/177347997.db2.gz ZLTGVKIRMYYIQG-XVKPBYJWSA-N 0 0 235.243 2.125 10 5 BEBERN C[C@H]1C[C@H]1CN(C)c1ccc([N+](=O)[O-])cc1C=O ZINC000104425240 177379515 /nfs/dbraw/zinc/37/95/15/177379515.db2.gz SMIJCKALWFNOGZ-UWVGGRQHSA-N 0 0 248.282 2.500 10 5 BEBERN C[C@H]1C[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000151217158 177382973 /nfs/dbraw/zinc/38/29/73/177382973.db2.gz RGFLTKFDOLKXNV-JOYOIKCWSA-N 0 0 248.282 2.052 10 5 BEBERN C[C@H]1C[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000075959392 177383998 /nfs/dbraw/zinc/38/39/98/177383998.db2.gz RSAXIGGEKHZMBK-OIBJUYFYSA-N 0 0 235.243 2.125 10 5 BEBERN COC[C@@H](C)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218825029 536553685 /nfs/dbraw/zinc/55/36/85/536553685.db2.gz XSVIOKXFSPWBBT-SECBINFHSA-N 0 0 224.260 2.350 10 5 BEBERN CC[C@@H](C)CNc1ccncc1[N+](=O)[O-] ZINC000054474492 535526975 /nfs/dbraw/zinc/52/69/75/535526975.db2.gz FHECYKYCCZWUAG-MRVPVSSYSA-N 0 0 209.249 2.448 10 5 BEBERN O=C1CCCc2ccc([N+](=O)[O-])cc2C1 ZINC000141136210 583550383 /nfs/dbraw/zinc/55/03/83/583550383.db2.gz XBCVBYVHLCOKFD-UHFFFAOYSA-N 0 0 205.213 2.043 10 5 BEBERN C[C@@H](O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000309959054 632686436 /nfs/dbraw/zinc/68/64/36/632686436.db2.gz KCLKNJDLTGWYNS-NKWVEPMBSA-N 0 0 244.678 2.429 10 5 BEBERN COC1CC(Nc2ccccc2[N+](=O)[O-])C1 ZINC000230592086 632817439 /nfs/dbraw/zinc/81/74/39/632817439.db2.gz FETUAMQXZDXQJC-UHFFFAOYSA-N 0 0 222.244 2.184 10 5 BEBERN C[C@H](O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000309959053 633984109 /nfs/dbraw/zinc/98/41/09/633984109.db2.gz KCLKNJDLTGWYNS-BQBZGAKWSA-N 0 0 244.678 2.429 10 5 BEBERN C[C@@H](O)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000309959055 633985003 /nfs/dbraw/zinc/98/50/03/633985003.db2.gz KCLKNJDLTGWYNS-RNFRBKRXSA-N 0 0 244.678 2.429 10 5 BEBERN Cc1ccc(OC(=O)[C@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000120120799 643089140 /nfs/dbraw/zinc/08/91/40/643089140.db2.gz ZEESVHLNFNOMLO-BDAKNGLRSA-N 0 0 235.239 2.465 10 5 BEBERN O=[N+]([O-])c1ccccc1-c1nc(Cl)n[nH]1 ZINC000217352601 643693785 /nfs/dbraw/zinc/69/37/85/643693785.db2.gz ADQDCXUEZFUNJM-UHFFFAOYSA-N 0 0 224.607 2.033 10 5 BEBERN CCNC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588436425 958505018 /nfs/dbraw/zinc/50/50/18/958505018.db2.gz ONVNUGJMYOZOJF-HJWRWDBZSA-N 0 0 234.255 2.134 10 5 BEBERN Cc1cc(O[C@H](C)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000087138754 178214910 /nfs/dbraw/zinc/21/49/10/178214910.db2.gz CZHHCOHJUOTEMB-RKDXNWHRSA-N 0 0 225.244 2.051 10 5 BEBERN Cc1cc(OCc2ccccc2[N+](=O)[O-])nn1C ZINC000128413544 178213616 /nfs/dbraw/zinc/21/36/16/178213616.db2.gz HVTHQSZMALBORB-UHFFFAOYSA-N 0 0 247.254 2.216 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[C@@H]1C ZINC000075510609 178271105 /nfs/dbraw/zinc/27/11/05/178271105.db2.gz OZZTYSAFDYYEGD-KWQFWETISA-N 0 0 234.255 2.041 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1[C@H]2COC[C@H]21 ZINC000367733664 178272284 /nfs/dbraw/zinc/27/22/84/178272284.db2.gz JIHBOJZRTXMJSB-CNDDSTCGSA-N 0 0 248.282 2.208 10 5 BEBERN Cc1cc2nc(N)ccc2cc1[N+](=O)[O-] ZINC000026506489 178302414 /nfs/dbraw/zinc/30/24/14/178302414.db2.gz RZKRWSKISXOUOU-UHFFFAOYSA-N 0 0 203.201 2.034 10 5 BEBERN Cc1cc(C)nc([N-]c2ccc([N+](=O)[O-])cn2)n1 ZINC000253563433 398290591 /nfs/dbraw/zinc/29/05/91/398290591.db2.gz FKOKDDKBQMVXKT-UHFFFAOYSA-N 0 0 245.242 2.140 10 5 BEBERN COC(=O)c1c(Cl)ccc(C)c1[N+](=O)[O-] ZINC000308777746 342870731 /nfs/dbraw/zinc/87/07/31/342870731.db2.gz SGWFQVQJBKPHKI-UHFFFAOYSA-N 0 0 229.619 2.343 10 5 BEBERN O=[N+]([O-])c1ccc(OC(F)(F)F)c(CF)n1 ZINC000309194947 342907651 /nfs/dbraw/zinc/90/76/51/342907651.db2.gz SDBCGHVPMFATRB-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN CCC[C@H]1C[C@@H]1Nc1c([N+](=O)[O-])c(C)nn1C ZINC000231663410 398326027 /nfs/dbraw/zinc/32/60/27/398326027.db2.gz IZHLGBLFVLQCQD-IUCAKERBSA-N 0 0 238.291 2.237 10 5 BEBERN Cc1ncc(Br)c([N+](=O)[O-])c1C ZINC000575433726 398327711 /nfs/dbraw/zinc/32/77/11/398327711.db2.gz FSWJSUPTEQFGDD-UHFFFAOYSA-N 0 0 231.049 2.369 10 5 BEBERN C/C(=C\c1ccc2c(c1)CCO2)[N+](=O)[O-] ZINC000042905795 343001980 /nfs/dbraw/zinc/00/19/80/343001980.db2.gz LGKDSINCGHPFHH-SOFGYWHQSA-N 0 0 205.213 2.259 10 5 BEBERN O=[N+]([O-])c1ccc([C@H]2NCCn3cccc32)cc1 ZINC000031889956 187230447 /nfs/dbraw/zinc/23/04/47/187230447.db2.gz XPAXUVFKFLKILL-CYBMUJFWSA-N 0 0 243.266 2.089 10 5 BEBERN COc1cncc(-c2ccc([N+](=O)[O-])nc2)c1 ZINC000584880605 343081141 /nfs/dbraw/zinc/08/11/41/343081141.db2.gz IZAYTSBOOTUCFA-UHFFFAOYSA-N 0 0 231.211 2.060 10 5 BEBERN O=[N+]([O-])c1cnc2c(F)cncc2c1Cl ZINC000584882197 343084009 /nfs/dbraw/zinc/08/40/09/343084009.db2.gz SZTTWIGTKIWRPY-UHFFFAOYSA-N 0 0 227.582 2.331 10 5 BEBERN C/C=C/CCNc1c([N+](=O)[O-])c(CC)nn1C ZINC000094159618 187243665 /nfs/dbraw/zinc/24/36/65/187243665.db2.gz AQLSYEMBYJTGJV-GQCTYLIASA-N 0 0 238.291 2.269 10 5 BEBERN CC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC000037979456 187253688 /nfs/dbraw/zinc/25/36/88/187253688.db2.gz JRXRCSHRRRUZOE-UHFFFAOYSA-N 0 0 223.228 2.261 10 5 BEBERN Nc1cc(Cl)c(OC(F)F)cc1[N+](=O)[O-] ZINC000149463285 343428639 /nfs/dbraw/zinc/42/86/39/343428639.db2.gz KLLKUXQOEDZTCY-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN CN(C)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000234226325 343707997 /nfs/dbraw/zinc/70/79/97/343707997.db2.gz PYGLFEMZYSTFII-UHFFFAOYSA-N 0 0 243.650 2.342 10 5 BEBERN O=[N+]([O-])c1ccc([C@H](O)Cc2ccccc2)o1 ZINC000062142640 187273281 /nfs/dbraw/zinc/27/32/81/187273281.db2.gz MLVDATKZGCAJJS-SNVBAGLBSA-N 0 0 233.223 2.464 10 5 BEBERN O=[N+]([O-])c1c(OC(F)(F)F)ccnc1CF ZINC000393768078 343926342 /nfs/dbraw/zinc/92/63/42/343926342.db2.gz CIEOEZBSVRPSAS-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN O=[N+]([O-])c1cc(OC(F)(F)F)c(CF)cn1 ZINC000309583661 343933421 /nfs/dbraw/zinc/93/34/21/343933421.db2.gz UPNVGYJBFRGASZ-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN CC(C)(C)c1cn(-c2ccc([N+](=O)[O-])cn2)cn1 ZINC000145480276 344279062 /nfs/dbraw/zinc/27/90/62/344279062.db2.gz HOYMMMPHGRXZCW-UHFFFAOYSA-N 0 0 246.270 2.473 10 5 BEBERN CSC(=C[N+](=O)[O-])NCCc1ccccc1 ZINC000220626617 344334285 /nfs/dbraw/zinc/33/42/85/344334285.db2.gz ZRQMNIJFNFWKQH-LUAWRHEFSA-N 0 0 238.312 2.257 10 5 BEBERN Cc1ccc(Br)c(N)c1[N+](=O)[O-] ZINC000220557856 344552641 /nfs/dbraw/zinc/55/26/41/344552641.db2.gz MXNXXSRVPMXLKG-UHFFFAOYSA-N 0 0 231.049 2.248 10 5 BEBERN O=[N+]([O-])c1ccc(-c2cccnc2)cn1 ZINC000047216223 344579661 /nfs/dbraw/zinc/57/96/61/344579661.db2.gz KIPBIVOFZNTKFQ-UHFFFAOYSA-N 0 0 201.185 2.052 10 5 BEBERN Nc1cc([N+](=O)[O-])c(F)c(C(F)(F)F)c1 ZINC000396122554 344608956 /nfs/dbraw/zinc/60/89/56/344608956.db2.gz WXKDTMFIJMINMR-UHFFFAOYSA-N 0 0 224.113 2.335 10 5 BEBERN O=[N+]([O-])c1cc(F)c(F)cc1OC(F)F ZINC000396129651 344612326 /nfs/dbraw/zinc/61/23/26/344612326.db2.gz ZKPWOUHFLSZWAE-UHFFFAOYSA-N 0 0 225.097 2.474 10 5 BEBERN C=CC(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000033607571 344868046 /nfs/dbraw/zinc/86/80/46/344868046.db2.gz RNYPOUOIGJXNMU-MRVPVSSYSA-N 0 0 221.212 2.385 10 5 BEBERN O=[N+]([O-])C[C@H](c1ccc[nH]1)c1ccccc1 ZINC000135778628 344888405 /nfs/dbraw/zinc/88/84/05/344888405.db2.gz OQBKIIBFDPNSIV-NSHDSACASA-N 0 0 216.240 2.423 10 5 BEBERN Cc1cnc([C@H](C)Nc2ccncc2[N+](=O)[O-])o1 ZINC000235521257 344931850 /nfs/dbraw/zinc/93/18/50/344931850.db2.gz GRDKOEHKIXTDNS-QMMMGPOBSA-N 0 0 248.242 2.459 10 5 BEBERN C[Si](C)(C)CCOCn1cncc1[N+](=O)[O-] ZINC000200127844 345254557 /nfs/dbraw/zinc/25/45/57/345254557.db2.gz NRDDFCWQILKKSI-UHFFFAOYSA-N 0 0 243.339 2.104 10 5 BEBERN COc1cc(OCCSC)ccc1[N+](=O)[O-] ZINC000113339537 345691682 /nfs/dbraw/zinc/69/16/82/345691682.db2.gz HXOCWCUKTRUMOQ-UHFFFAOYSA-N 0 0 243.284 2.345 10 5 BEBERN O=C1CCc2cccc([N+](=O)[O-])c2CC1 ZINC000142819160 345864115 /nfs/dbraw/zinc/86/41/15/345864115.db2.gz ADLYNTABZPGWOH-UHFFFAOYSA-N 0 0 205.213 2.043 10 5 BEBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H]1C ZINC000076032870 178931353 /nfs/dbraw/zinc/93/13/53/178931353.db2.gz FFKQPYMNKOVKDP-SCZZXKLOSA-N 0 0 249.270 2.433 10 5 BEBERN C[C@@H](O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000034423551 346278472 /nfs/dbraw/zinc/27/84/72/346278472.db2.gz DPECJWNICWLDNB-RXMQYKEDSA-N 0 0 201.609 2.302 10 5 BEBERN Cc1c(F)c(F)c(F)c([N+](=O)[O-])c1F ZINC000071614968 347249921 /nfs/dbraw/zinc/24/99/21/347249921.db2.gz RIUFGQITYBLIHU-UHFFFAOYSA-N 0 0 209.098 2.460 10 5 BEBERN Cc1ccccc1[C@H]([C@@H](C)[N+](=O)[O-])n1cccn1 ZINC000252514058 179346738 /nfs/dbraw/zinc/34/67/38/179346738.db2.gz AZMCQWDHAIPSQE-YPMHNXCESA-N 0 0 245.282 2.446 10 5 BEBERN Cc1ccc(NC2CC(CO)C2)c([N+](=O)[O-])c1 ZINC000596566651 348580779 /nfs/dbraw/zinc/58/07/79/348580779.db2.gz HDUGZXDPGJFKRI-UHFFFAOYSA-N 0 0 236.271 2.086 10 5 BEBERN C[C@@H](CNc1ccncc1[N+](=O)[O-])C1CC1 ZINC000122198121 362943340 /nfs/dbraw/zinc/94/33/40/362943340.db2.gz KTGUVCOMKUUDBY-QMMMGPOBSA-N 0 0 221.260 2.448 10 5 BEBERN C[C@H]1C[C@@H]1Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000308968797 349259661 /nfs/dbraw/zinc/25/96/61/349259661.db2.gz OBQMVSNBZPSZSB-FSPLSTOPSA-N 0 0 227.651 2.464 10 5 BEBERN C[C@H]1OCC[C@H]1Nc1sccc1[N+](=O)[O-] ZINC000309042163 349368878 /nfs/dbraw/zinc/36/88/78/349368878.db2.gz LWSYRFXACCCVDT-RNFRBKRXSA-N 0 0 228.273 2.246 10 5 BEBERN CN(C)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000309175821 350120482 /nfs/dbraw/zinc/12/04/82/350120482.db2.gz CJOOPRHMHRFJCX-UHFFFAOYSA-N 0 0 217.228 2.209 10 5 BEBERN Cc1nc2ccc3ccccc3c2c(=O)[nH]1 ZINC000013832481 180099988 /nfs/dbraw/zinc/09/99/88/180099988.db2.gz HVULCQPSGYYROI-UHFFFAOYSA-N 0 0 210.236 2.385 10 5 in-vivo BEBERN Cc1cc2cc([N+](=O)[O-])c(=O)oc2cc1C ZINC000725256789 538059382 /nfs/dbraw/zinc/05/93/82/538059382.db2.gz UTCKEJLGCREEPZ-UHFFFAOYSA-N 0 0 219.196 2.318 10 5 BEBERN Cc1nn([C@H]2CCC[C@@H](C)C2)c(N)c1[N+](=O)[O-] ZINC000043670308 180393560 /nfs/dbraw/zinc/39/35/60/180393560.db2.gz QZUMPCOYXCQOGM-APPZFPTMSA-N 0 0 238.291 2.433 10 5 BEBERN O=C1c2c(cccc2[N+](=O)[O-])CN1C1CCC1 ZINC000725266700 538096616 /nfs/dbraw/zinc/09/66/16/538096616.db2.gz MWWVXSFROCTTNY-UHFFFAOYSA-N 0 0 232.239 2.103 10 5 BEBERN CCn1ccnc1CNc1cccc([N+](=O)[O-])c1 ZINC000051922467 350654208 /nfs/dbraw/zinc/65/42/08/350654208.db2.gz LDSVGGMELKJMBV-UHFFFAOYSA-N 0 0 246.270 2.423 10 5 BEBERN O=[N+]([O-])c1cc(Cl)c(F)cc1NO ZINC000306851458 351175559 /nfs/dbraw/zinc/17/55/59/351175559.db2.gz QNRWIXDOEPOFOP-UHFFFAOYSA-N 0 0 206.560 2.188 10 5 BEBERN Cc1cc(Br)nc([N+](=O)[O-])c1 ZINC000307112719 351485526 /nfs/dbraw/zinc/48/55/26/351485526.db2.gz QLLWANSSQXDOFC-UHFFFAOYSA-N 0 0 217.022 2.061 10 5 BEBERN Cc1cc(CO)cc(Cl)c1[N+](=O)[O-] ZINC000307186817 351587419 /nfs/dbraw/zinc/58/74/19/351587419.db2.gz NGUOLOXZGYUCLO-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN O=[N+]([O-])c1c[nH]c2ccnc(Br)c21 ZINC000044713152 352384438 /nfs/dbraw/zinc/38/44/38/352384438.db2.gz JMVKTBWXHDMQES-UHFFFAOYSA-N 0 0 242.032 2.234 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(Br)c1CO ZINC000307427332 352593434 /nfs/dbraw/zinc/59/34/34/352593434.db2.gz SBKDGSJXITZATC-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(CO)c1Br ZINC000307503105 352630362 /nfs/dbraw/zinc/63/03/62/352630362.db2.gz JMTAJGNQJAHFJY-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN O=Cc1c(Br)ccc(F)c1[N+](=O)[O-] ZINC000307657267 352742852 /nfs/dbraw/zinc/74/28/52/352742852.db2.gz RIXFBLZCMDXVRE-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN CC(=O)SCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002581157 187926705 /nfs/dbraw/zinc/92/67/05/187926705.db2.gz BVCPSCSGSCDJDI-UHFFFAOYSA-N 0 0 239.252 2.057 10 5 BEBERN CCn1cc(C=O)c2cc([N+](=O)[O-])ccc21 ZINC000536954935 323964367 /nfs/dbraw/zinc/96/43/67/323964367.db2.gz SKXJDBYBSNBMHM-UHFFFAOYSA-N 0 0 218.212 2.382 10 5 BEBERN CN(C)c1cccc(Br)c1[N+](=O)[O-] ZINC000299890198 188042730 /nfs/dbraw/zinc/04/27/30/188042730.db2.gz VSDDRSYPXAIHOM-UHFFFAOYSA-N 0 0 245.076 2.423 10 5 BEBERN CCNc1cccc(NCC)c1[N+](=O)[O-] ZINC000039124327 188282773 /nfs/dbraw/zinc/28/27/73/188282773.db2.gz HWLIJCPKRLCVPW-UHFFFAOYSA-N 0 0 209.249 2.458 10 5 BEBERN CC(C)(O)COc1cc(F)c([N+](=O)[O-])cc1F ZINC000104136332 188323549 /nfs/dbraw/zinc/32/35/49/188323549.db2.gz SDWWWLPNEYYAJJ-UHFFFAOYSA-N 0 0 247.197 2.023 10 5 BEBERN CC(C)[C@H](C)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454697 188328341 /nfs/dbraw/zinc/32/83/41/188328341.db2.gz SQXGTJYCXDNQBM-LURJTMIESA-N 0 0 244.682 2.495 10 5 BEBERN COCOc1cc([N+](=O)[O-])ccc1Cl ZINC000087341129 354868468 /nfs/dbraw/zinc/86/84/68/354868468.db2.gz CRKJNZPQDVNFKO-UHFFFAOYSA-N 0 0 217.608 2.231 10 5 BEBERN Cc1c(Cl)cc(CO)cc1[N+](=O)[O-] ZINC000137967014 356424463 /nfs/dbraw/zinc/42/44/63/356424463.db2.gz SOMVSZQCRSTLLX-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN CCc1[nH]nc(N)c1-c1ccc([N+](=O)[O-])cc1 ZINC000675075583 538509691 /nfs/dbraw/zinc/50/96/91/538509691.db2.gz BPMVMNSSXGUZDB-UHFFFAOYSA-N 0 0 232.243 2.130 10 5 BEBERN COc1ccc(C(=O)C[C@@H](C)C[N+](=O)[O-])cc1 ZINC000584613398 358277539 /nfs/dbraw/zinc/27/75/39/358277539.db2.gz IEQKKDBTBSCBPX-SECBINFHSA-N 0 0 237.255 2.181 10 5 BEBERN C[Si](C)(C)c1cc(F)c([N+](=O)[O-])cc1F ZINC000584593163 358251099 /nfs/dbraw/zinc/25/10/99/358251099.db2.gz FJGTYLSIGCYQSY-UHFFFAOYSA-N 0 0 231.274 2.418 10 5 BEBERN CCOP(=O)(CC[C@@H](F)[N+](=O)[O-])OCC ZINC000584602178 358260040 /nfs/dbraw/zinc/26/00/40/358260040.db2.gz PDYWHHPRXRXJSE-ZETCQYMHSA-N 0 0 243.171 2.215 10 5 BEBERN Cc1cc(=O)oc2cc(F)c([N+](=O)[O-])cc12 ZINC000584640343 358326455 /nfs/dbraw/zinc/32/64/55/358326455.db2.gz PXPNGFGIMRULOD-UHFFFAOYSA-N 0 0 223.159 2.149 10 5 BEBERN O=c1[nH]ccc2cc3cc([N+](=O)[O-])ccc3n21 ZINC000584640467 358326721 /nfs/dbraw/zinc/32/67/21/358326721.db2.gz NRMYRDJCDOXKMH-UHFFFAOYSA-N 0 0 229.195 2.101 10 5 BEBERN O=[N+]([O-])c1ccc(Br)cc1NO ZINC000306160890 358965997 /nfs/dbraw/zinc/96/59/97/358965997.db2.gz UMOHWPUNPFOXIN-UHFFFAOYSA-N 0 0 233.021 2.158 10 5 BEBERN Cc1cc([N+](=O)[O-])cc(C=O)c1Br ZINC000306561730 360438838 /nfs/dbraw/zinc/43/88/38/360438838.db2.gz NQPGTOKKDOMNES-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN O=[N+]([O-])c1cc(F)c(OCF)cc1F ZINC000306548413 360419074 /nfs/dbraw/zinc/41/90/74/360419074.db2.gz BOIKZQOUZLHXAB-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN COc1cccc(OC(F)F)c1[N+](=O)[O-] ZINC000238383664 360989023 /nfs/dbraw/zinc/98/90/23/360989023.db2.gz DQFJDANUZLIDCY-UHFFFAOYSA-N 0 0 219.143 2.205 10 5 BEBERN O=[N+]([O-])c1cc(F)nc(OC(F)(F)F)c1 ZINC000238608100 361163603 /nfs/dbraw/zinc/16/36/03/361163603.db2.gz VAVVRYFOZBJSCF-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1cc(O)cc(OC(F)(F)F)c1 ZINC000238707529 361364153 /nfs/dbraw/zinc/36/41/53/361364153.db2.gz OAHNMUBPYCRZTM-UHFFFAOYSA-N 0 0 223.106 2.199 10 5 BEBERN NC1=NC(=O)SC1=Cc1ccc([N+](=O)[O-])cc1 ZINC000072414724 181338054 /nfs/dbraw/zinc/33/80/54/181338054.db2.gz RQEXYDVDDCELSV-YVMONPNESA-N 0 0 249.251 2.160 10 5 BEBERN CCOP(=O)(OCC)C(C)(C)[N+](=O)[O-] ZINC000038997818 368329439 /nfs/dbraw/zinc/32/94/39/368329439.db2.gz NCDGGKQWJBVWDJ-UHFFFAOYSA-N 0 0 225.181 2.265 10 5 BEBERN CC1=C(C)[C@@H](c2cccc([N+](=O)[O-])c2)[NH+]=C([O-])N1 ZINC000048523145 368377536 /nfs/dbraw/zinc/37/75/36/368377536.db2.gz VKLONZGQIJJNMX-NSHDSACASA-N 0 0 247.254 2.243 10 5 BEBERN O=c1c2cccc3c2c(cc2ncccc23)c1=O ZINC000038953569 368402926 /nfs/dbraw/zinc/40/29/26/368402926.db2.gz CBZLTEGFYMYUPY-UHFFFAOYSA-N 0 0 233.226 2.137 10 5 BEBERN COc1ccc2c3ccccc3nc(N)c2n1 ZINC000115017100 368967264 /nfs/dbraw/zinc/96/72/64/368967264.db2.gz RIXWWRDSKKWENH-UHFFFAOYSA-N 0 0 225.251 2.374 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(N[C@H](C)C(C)(C)O)c1 ZINC000122923194 368955300 /nfs/dbraw/zinc/95/53/00/368955300.db2.gz FWKGMVOWVIJULZ-SECBINFHSA-N 0 0 238.287 2.475 10 5 BEBERN O=Cc1c(F)c(Br)ccc1[N+](=O)[O-] ZINC000306605928 372045764 /nfs/dbraw/zinc/04/57/64/372045764.db2.gz QOXQRQQIOAARDR-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN COc1cc(F)c([N+](=O)[O-])c(F)c1F ZINC000038762263 372761723 /nfs/dbraw/zinc/76/17/23/372761723.db2.gz HFZXNTYAVZNVBH-UHFFFAOYSA-N 0 0 207.107 2.021 10 5 BEBERN O=C(Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000034940339 182046140 /nfs/dbraw/zinc/04/61/40/182046140.db2.gz SWGOBYNCPSNWIB-UHFFFAOYSA-N 0 0 242.234 2.415 10 5 BEBERN O=C(Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000034940340 182046617 /nfs/dbraw/zinc/04/66/17/182046617.db2.gz JTLRCYLNTKZGRG-UHFFFAOYSA-N 0 0 242.234 2.415 10 5 BEBERN O=[N+]([O-])c1cccc(N2CCOCC2)c1Cl ZINC000143460285 374188469 /nfs/dbraw/zinc/18/84/69/374188469.db2.gz ZWESPNSYVUNGBU-UHFFFAOYSA-N 0 0 242.662 2.085 10 5 BEBERN O=[N+]([O-])/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002519265 182918621 /nfs/dbraw/zinc/91/86/21/182918621.db2.gz HZQUUWYQZMTGCL-ONEGZZNKSA-N 0 0 228.591 2.496 10 5 BEBERN O=[N+]([O-])c1cc(F)cc(NC[C@H]2CCOC2)c1 ZINC000038094738 182923536 /nfs/dbraw/zinc/92/35/36/182923536.db2.gz NKDAXYBYZUZEGL-MRVPVSSYSA-N 0 0 240.234 2.182 10 5 BEBERN CCCNc1ncnc(NCCC)c1[N+](=O)[O-] ZINC000040596668 169297208 /nfs/dbraw/zinc/29/72/08/169297208.db2.gz SYFKSPDVOCKODH-UHFFFAOYSA-N 0 0 239.279 2.029 10 5 BEBERN Nc1cc(=O)[nH]c2ccc3ccccc3c12 ZINC000072416419 384116696 /nfs/dbraw/zinc/11/66/96/384116696.db2.gz XLZANYPLXYZPNY-UHFFFAOYSA-N 0 0 210.236 2.264 10 5 BEBERN Cc1c(F)c([N+](=O)[O-])c(F)c([N+](=O)[O-])c1F ZINC000071617404 384225392 /nfs/dbraw/zinc/22/53/92/384225392.db2.gz RDFGFZDVSHNRMV-UHFFFAOYSA-N 0 0 236.105 2.229 10 5 BEBERN C[C@@H](CO)N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000128169138 384478763 /nfs/dbraw/zinc/47/87/63/384478763.db2.gz KABWTSIKBQMZKO-ZETCQYMHSA-N 0 0 244.678 2.065 10 5 BEBERN CCOC(=O)c1ccc(C)c(OC)c1[N+](=O)[O-] ZINC000575675985 384481136 /nfs/dbraw/zinc/48/11/36/384481136.db2.gz ZZZHTATXQDAXIA-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN Cc1c(C)c([N+](=O)[O-])c(C=O)c(C)c1[N+](=O)[O-] ZINC000098178706 384499739 /nfs/dbraw/zinc/49/97/39/384499739.db2.gz FIQQNKIFXHYLAZ-UHFFFAOYSA-N 0 0 238.199 2.241 10 5 BEBERN CCOc1cc(OC)c(C)cc1[N+](=O)[O-] ZINC000575698918 384722658 /nfs/dbraw/zinc/72/26/58/384722658.db2.gz NUWRWMVHDCLEFD-UHFFFAOYSA-N 0 0 211.217 2.311 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(C=O)c1C ZINC000575699399 384732818 /nfs/dbraw/zinc/73/28/18/384732818.db2.gz VNPIWVCCWPJZAM-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN CCc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1 ZINC000013832426 384875289 /nfs/dbraw/zinc/87/52/89/384875289.db2.gz CXATXNKZINHFEL-UHFFFAOYSA-N 0 0 239.278 2.221 10 5 BEBERN COC(=O)Cc1c(F)c(Cl)ccc1[N+](=O)[O-] ZINC000575712482 384848965 /nfs/dbraw/zinc/84/89/65/384848965.db2.gz HNIIWAMKNZZKAH-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN C[C@H]1OCC[C@@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000147853407 384859139 /nfs/dbraw/zinc/85/91/39/384859139.db2.gz BGBROCMZWCMODV-APPZFPTMSA-N 0 0 240.234 2.323 10 5 BEBERN COc1cc(C(F)(F)F)cc([N+](=O)[O-])c1N ZINC000575728174 384918798 /nfs/dbraw/zinc/91/87/98/384918798.db2.gz ACYJHCMRVYNUBV-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN O=[N+]([O-])c1ccsc1NC[C@@H]1CCC[C@@H]1O ZINC000301928067 384946759 /nfs/dbraw/zinc/94/67/59/384946759.db2.gz INQNQRVXFNVLAF-CBAPKCEASA-N 0 0 242.300 2.229 10 5 BEBERN C[C@@H]1C[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129781165 385011518 /nfs/dbraw/zinc/01/15/18/385011518.db2.gz MDZRUQIHOZDHNZ-VDTYLAMSSA-N 0 0 227.651 2.464 10 5 BEBERN Cc1ccnc(N2CC[C@](C)(F)C2)c1[N+](=O)[O-] ZINC000408048535 385183952 /nfs/dbraw/zinc/18/39/52/385183952.db2.gz NJGSLMLRPUNBLI-NSHDSACASA-N 0 0 239.250 2.237 10 5 BEBERN C[Si](C)(C)c1c(F)ccc([N+](=O)[O-])c1F ZINC000195908361 385495693 /nfs/dbraw/zinc/49/56/93/385495693.db2.gz XMEDCOZETUWHIB-UHFFFAOYSA-N 0 0 231.274 2.418 10 5 BEBERN C[C@@H]1OCC[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000149970145 385535102 /nfs/dbraw/zinc/53/51/02/385535102.db2.gz UYOIQCGENFOZJL-IONNQARKSA-N 0 0 240.234 2.323 10 5 BEBERN Cc1csc(C(Cl)(Cl)[N+](=O)[O-])n1 ZINC000196996113 385519661 /nfs/dbraw/zinc/51/96/61/385519661.db2.gz WGZCAAFHRUWDQV-UHFFFAOYSA-N 0 0 227.072 2.316 10 5 BEBERN CC(=O)c1cn(C)c2c1cccc2[N+](=O)[O-] ZINC000299889913 385554373 /nfs/dbraw/zinc/55/43/73/385554373.db2.gz QTOZJMHDOHUTNL-UHFFFAOYSA-N 0 0 218.212 2.289 10 5 BEBERN COC(=O)c1c(Cl)ccc(OC)c1[N+](=O)[O-] ZINC000259919544 385598510 /nfs/dbraw/zinc/59/85/10/385598510.db2.gz SUICZNOXLMOTHQ-UHFFFAOYSA-N 0 0 245.618 2.043 10 5 BEBERN N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000259594920 385587836 /nfs/dbraw/zinc/58/78/36/385587836.db2.gz PPULQZLSXMYPJL-QMMMGPOBSA-N 0 0 234.177 2.027 10 5 BEBERN CCOC(=O)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000259889078 385589631 /nfs/dbraw/zinc/58/96/31/385589631.db2.gz XGHGDPTWHPSNOF-UHFFFAOYSA-N 0 0 223.228 2.009 10 5 BEBERN O=[N+]([O-])c1ccc(-c2ccccc2O)nc1 ZINC000584623243 385609953 /nfs/dbraw/zinc/60/99/53/385609953.db2.gz JXLFMUFEUWXULD-UHFFFAOYSA-N 0 0 216.196 2.362 10 5 BEBERN CCC1=Cc2cc([N+](=O)[O-])ccc2O[C@@H]1O ZINC000211673800 386198091 /nfs/dbraw/zinc/19/80/91/386198091.db2.gz UCZMNIDXMSMTMB-NSHDSACASA-N 0 0 221.212 2.099 10 5 BEBERN O=[N+]([O-])c1cccnc1N1CC[C@H]2CCC[C@H]21 ZINC000408362419 386271980 /nfs/dbraw/zinc/27/19/80/386271980.db2.gz ODWBWOFRJYHWLI-NXEZZACHSA-N 0 0 233.271 2.369 10 5 BEBERN C[C@@H]1CCc2cc(F)cc([N+](=O)[O-])c2N1C=O ZINC000087493668 386474022 /nfs/dbraw/zinc/47/40/22/386474022.db2.gz SENWMNZMMQLMOW-SSDOTTSWSA-N 0 0 238.218 2.031 10 5 BEBERN CCOC(=O)Cc1cc(C)cc([N+](=O)[O-])c1C ZINC000575397148 386996899 /nfs/dbraw/zinc/99/68/99/386996899.db2.gz AAHHGUPNTZUJCK-UHFFFAOYSA-N 0 0 237.255 2.317 10 5 BEBERN O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CCCOC1 ZINC000103965437 386997852 /nfs/dbraw/zinc/99/78/52/386997852.db2.gz XDMSAWRKFRGNCR-SECBINFHSA-N 0 0 240.234 2.325 10 5 BEBERN CCOC(=O)Cc1ccc(F)c(C)c1[N+](=O)[O-] ZINC000575397263 386998071 /nfs/dbraw/zinc/99/80/71/386998071.db2.gz CNRJCYHTALIONA-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(F)c1C ZINC000575397265 386998425 /nfs/dbraw/zinc/99/84/25/386998425.db2.gz DEULTLYYSQJREJ-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCc1cc([N+](=O)[O-])c(CO)cc1OC(F)F ZINC000575657762 387043703 /nfs/dbraw/zinc/04/37/03/387043703.db2.gz ASHXTFURUOQJKJ-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CCc1c(O)ccc([N+](=O)[O-])c1OC(F)F ZINC000575659397 387046254 /nfs/dbraw/zinc/04/62/54/387046254.db2.gz GHFNKPZZXKAECF-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN CCc1cc(O)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575658584 387047734 /nfs/dbraw/zinc/04/77/34/387047734.db2.gz CKBYDWFQDALLEO-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN CCc1c(O)cc([N+](=O)[O-])cc1OC(F)F ZINC000575660013 387053186 /nfs/dbraw/zinc/05/31/86/387053186.db2.gz KLSASQYJKVXRAL-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN O=[N+]([O-])c1ccc([C@@H]2CCCO2)nc1Cl ZINC000575434439 387058491 /nfs/dbraw/zinc/05/84/91/387058491.db2.gz YFDPAWWRTYCPQA-QMMMGPOBSA-N 0 0 228.635 2.495 10 5 BEBERN O=Cc1cc(F)c([N+](=O)[O-])cc1OC(F)F ZINC000575661437 387062141 /nfs/dbraw/zinc/06/21/41/387062141.db2.gz PSSSXOBENNCMJI-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN O=[N+]([O-])c1ccc(F)c(O)c1OC(F)F ZINC000575661720 387111759 /nfs/dbraw/zinc/11/17/59/387111759.db2.gz VMCINOZPKGFAQH-UHFFFAOYSA-N 0 0 223.106 2.041 10 5 BEBERN O=Cc1cc([N+](=O)[O-])cc(OC(F)F)c1F ZINC000575661691 387112282 /nfs/dbraw/zinc/11/22/82/387112282.db2.gz UEDLRKZYWUHVTQ-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN O=Cc1cc([N+](=O)[O-])c(F)cc1OC(F)F ZINC000575661977 387165795 /nfs/dbraw/zinc/16/57/95/387165795.db2.gz XWVWJHOBDBWCBK-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN Cc1ccc(C=O)c([N+](=O)[O-])c1OC(F)F ZINC000575665125 387312866 /nfs/dbraw/zinc/31/28/66/387312866.db2.gz BGGLWMWCAFCKHB-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN Cc1ccc(N[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000269940434 387292428 /nfs/dbraw/zinc/29/24/28/387292428.db2.gz OWGWBAVNVNQIMK-PWSUYJOCSA-N 0 0 236.271 2.229 10 5 BEBERN Cc1cc([N+](=O)[O-])c(C(F)(F)F)cc1C(N)=O ZINC000575675754 387356678 /nfs/dbraw/zinc/35/66/78/387356678.db2.gz YCGOMKZHVGBUNW-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN CCOc1cc(CC)c([N+](=O)[O-])cc1C=O ZINC000575694496 387385041 /nfs/dbraw/zinc/38/50/41/387385041.db2.gz DHSNLZLNIBZKDL-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN Cc1cc([N+](=O)[O-])c(C(N)=O)cc1C(F)(F)F ZINC000575675757 387359308 /nfs/dbraw/zinc/35/93/08/387359308.db2.gz YCKPFCKXSHZIPL-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN O=[N+]([O-])[C@@H]1C[C@@H]1[C@H]1C[C@@H]1c1ccccc1 ZINC000575602886 387366865 /nfs/dbraw/zinc/36/68/65/387366865.db2.gz YWNJLWLIMVBXOS-WRWGMCAJSA-N 0 0 203.241 2.455 10 5 BEBERN O=[N+]([O-])c1ccc([C@@H]2C[C@@H]2[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000575602477 387370154 /nfs/dbraw/zinc/37/01/54/387370154.db2.gz PVIUPUUTGBJEJK-FIQHERPVSA-N 0 0 248.238 2.364 10 5 BEBERN COc1cc(O)cc([N+](=O)[O-])c1Br ZINC000575691614 387379349 /nfs/dbraw/zinc/37/93/49/387379349.db2.gz OWTZDSVZIBCKJM-UHFFFAOYSA-N 0 0 248.032 2.072 10 5 BEBERN COc1cc(OC(F)F)c(C=O)c([N+](=O)[O-])c1 ZINC000575666671 387320065 /nfs/dbraw/zinc/32/00/65/387320065.db2.gz YGKFGDQGZIVBOZ-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN Cc1c(C=O)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575669060 387324697 /nfs/dbraw/zinc/32/46/97/387324697.db2.gz XTRIZLIERNACKN-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN COc1cc([N+](=O)[O-])cc(C(F)F)c1CO ZINC000575672354 387338419 /nfs/dbraw/zinc/33/84/19/387338419.db2.gz ZVLFZBQJIBQSNY-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN CCOC(=O)c1cc(C)c(OC)cc1[N+](=O)[O-] ZINC000575673716 387343040 /nfs/dbraw/zinc/34/30/40/387343040.db2.gz MXCFYYQGYWFXGU-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN COc1c(CO)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575672150 387343416 /nfs/dbraw/zinc/34/34/16/387343416.db2.gz QYUHSRXWFXLPTL-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN CCOC(=O)c1ccc(C)c([N+](=O)[O-])c1OC ZINC000575674450 387344222 /nfs/dbraw/zinc/34/42/22/387344222.db2.gz QNBJJJDYAFCMBV-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN Nc1cc(OC(F)F)c(Cl)cc1[N+](=O)[O-] ZINC000575722231 387444164 /nfs/dbraw/zinc/44/41/64/387444164.db2.gz IVIJEVAJEAASJK-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Cc1c(N)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575721716 387445159 /nfs/dbraw/zinc/44/51/59/387445159.db2.gz XOCWRNAIJAJBIY-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN CCOc1cc(C(C)=O)c(OC)cc1[N+](=O)[O-] ZINC000575698229 387393125 /nfs/dbraw/zinc/39/31/25/387393125.db2.gz GWPFGYDIPRLVHR-UHFFFAOYSA-N 0 0 239.227 2.205 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(OC)cc1C(C)=O ZINC000575698285 387393293 /nfs/dbraw/zinc/39/32/93/387393293.db2.gz JHFGSUMLWHNMGB-UHFFFAOYSA-N 0 0 239.227 2.205 10 5 BEBERN CCOc1cc(OC)c(C(C)=O)cc1[N+](=O)[O-] ZINC000575698333 387394525 /nfs/dbraw/zinc/39/45/25/387394525.db2.gz LGDUIEQRLRNKER-UHFFFAOYSA-N 0 0 239.227 2.205 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(C(C)=O)c1OC ZINC000575698479 387394855 /nfs/dbraw/zinc/39/48/55/387394855.db2.gz RPMGBQAILDYFHS-UHFFFAOYSA-N 0 0 239.227 2.205 10 5 BEBERN CCOc1cc(OC)c([N+](=O)[O-])cc1F ZINC000575696625 387396882 /nfs/dbraw/zinc/39/68/82/387396882.db2.gz LIZBIKNLQCVVBC-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(OC)c1OC ZINC000575697179 387398763 /nfs/dbraw/zinc/39/87/63/387398763.db2.gz XGJYUBRNXNERMO-UHFFFAOYSA-N 0 0 227.216 2.011 10 5 BEBERN CCOc1cc(C=O)c(C)c([N+](=O)[O-])c1 ZINC000575698670 387399485 /nfs/dbraw/zinc/39/94/85/387399485.db2.gz CTUCUBGBOMXGNA-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN CSc1cc(C=O)c([N+](=O)[O-])cc1F ZINC000575709188 387413363 /nfs/dbraw/zinc/41/33/63/387413363.db2.gz JLEIQTBLWZJBOR-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN CSc1cc([N+](=O)[O-])c(F)cc1C=O ZINC000575710740 387414860 /nfs/dbraw/zinc/41/48/60/387414860.db2.gz WCERUSWAWKUVQI-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN COC(=O)Cc1c(Cl)c(F)ccc1[N+](=O)[O-] ZINC000575712589 387417015 /nfs/dbraw/zinc/41/70/15/387417015.db2.gz LNNSGHMLOWVPAV-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COC(=O)Cc1cc([N+](=O)[O-])c(Cl)cc1F ZINC000575712954 387417163 /nfs/dbraw/zinc/41/71/63/387417163.db2.gz SAYVZYTXEUZXPU-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COC(=O)Cc1c(F)cc([N+](=O)[O-])cc1Cl ZINC000575713365 387417221 /nfs/dbraw/zinc/41/72/21/387417221.db2.gz YXKPKVCFVLGPNC-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H]2C)n1 ZINC000088036156 387525644 /nfs/dbraw/zinc/52/56/44/387525644.db2.gz YXRDQDWQYNYFNO-XPUUQOCRSA-N 0 0 207.233 2.119 10 5 BEBERN COc1ccc(C=O)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000575729730 387468355 /nfs/dbraw/zinc/46/83/55/387468355.db2.gz HEMKXHSNOYQHKZ-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN Cc1nc(-c2cccc([N+](=O)[O-])c2)n(O)c1C ZINC000039320111 387555026 /nfs/dbraw/zinc/55/50/26/387555026.db2.gz MLXYMHSAHNKLRF-UHFFFAOYSA-N 0 0 233.227 2.312 10 5 BEBERN CCOC[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000044725895 387692934 /nfs/dbraw/zinc/69/29/34/387692934.db2.gz URVUWLFOHYBKNF-SECBINFHSA-N 0 0 224.260 2.432 10 5 BEBERN COc1cc(OC(F)F)cc(OC)c1[N+](=O)[O-] ZINC000575652920 387892542 /nfs/dbraw/zinc/89/25/42/387892542.db2.gz NPRBUUNMLWZHMZ-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN COC(=O)/C=C/c1cc(Cl)ccc1[N+](=O)[O-] ZINC000138078908 388096375 /nfs/dbraw/zinc/09/63/75/388096375.db2.gz KOYWQIPXCQZYNC-GORDUTHDSA-N 0 0 241.630 2.434 10 5 BEBERN C[C@@H](O)c1c(Br)cccc1[N+](=O)[O-] ZINC000299889482 388344767 /nfs/dbraw/zinc/34/47/67/388344767.db2.gz JYZLFIIFSPITJR-RXMQYKEDSA-N 0 0 246.060 2.411 10 5 BEBERN COC[C@@H](C)N(C)c1cc(F)ccc1[N+](=O)[O-] ZINC000302787210 388345028 /nfs/dbraw/zinc/34/50/28/388345028.db2.gz AEFOPDZSMWXHFM-MRVPVSSYSA-N 0 0 242.250 2.205 10 5 BEBERN O=[N+]([O-])c1cc(OC2CC2)cnc1Cl ZINC000095735453 388783642 /nfs/dbraw/zinc/78/36/42/388783642.db2.gz JCGZHKRVCRJHHY-UHFFFAOYSA-N 0 0 214.608 2.184 10 5 BEBERN Cc1nc(F)c(Br)cc1[N+](=O)[O-] ZINC000095936294 388790040 /nfs/dbraw/zinc/79/00/40/388790040.db2.gz DWZBIZASPDJRCY-UHFFFAOYSA-N 0 0 235.012 2.200 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H]1C ZINC000194568398 388819559 /nfs/dbraw/zinc/81/95/59/388819559.db2.gz FUYSESOJVSQVLQ-IUCAKERBSA-N 0 0 234.255 2.041 10 5 BEBERN Cc1c([N+](=O)[O-])ncn1-c1ccccc1 ZINC000169409553 177636431 /nfs/dbraw/zinc/63/64/31/177636431.db2.gz XTPCJMOZJRZEAX-UHFFFAOYSA-N 0 0 203.201 2.089 10 5 BEBERN Cc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])cn2)o1 ZINC000226546878 134365989 /nfs/dbraw/zinc/36/59/89/134365989.db2.gz KSYHBKXAELQXIC-MRVPVSSYSA-N 0 0 248.242 2.459 10 5 BEBERN CC[C@](C)(O)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000087029601 135501171 /nfs/dbraw/zinc/50/11/71/135501171.db2.gz SDRZFRAHANIWOH-NSHDSACASA-N 0 0 242.250 2.307 10 5 BEBERN CC(C)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000035052206 167145480 /nfs/dbraw/zinc/14/54/80/167145480.db2.gz IKQYXZOPIJMGRO-UHFFFAOYSA-N 0 0 224.216 2.144 10 5 BEBERN CC1=Nc2cc([N+](=O)[O-])ccc2N(C)C(=O)C1 ZINC000100898422 168138233 /nfs/dbraw/zinc/13/82/33/168138233.db2.gz DCINCMLJCVOOMF-UHFFFAOYSA-N 0 0 233.227 2.054 10 5 BEBERN CCC(=O)COc1cc(F)c([N+](=O)[O-])cc1F ZINC000104140529 168208821 /nfs/dbraw/zinc/20/88/21/168208821.db2.gz QYHZYNGQLPSYEX-UHFFFAOYSA-N 0 0 245.181 2.231 10 5 BEBERN CCNc1ccc(Cn2cccn2)cc1[N+](=O)[O-] ZINC000050818510 170174440 /nfs/dbraw/zinc/17/44/40/170174440.db2.gz XEWDVMUTZXLYLG-UHFFFAOYSA-N 0 0 246.270 2.271 10 5 BEBERN CCOC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000033506792 170248834 /nfs/dbraw/zinc/24/88/34/170248834.db2.gz GMOOHUQPPFJAQB-QMMMGPOBSA-N 0 0 223.228 2.261 10 5 BEBERN CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000111769046 171337243 /nfs/dbraw/zinc/33/72/43/171337243.db2.gz XVCUNJBNHUICES-VIFPVBQESA-N 0 0 236.271 2.432 10 5 BEBERN CNc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000072112393 173487863 /nfs/dbraw/zinc/48/78/63/173487863.db2.gz VZZJNIBYCNWFRI-UHFFFAOYSA-N 0 0 218.216 2.027 10 5 BEBERN COc1cc(N[C@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000082523547 175004954 /nfs/dbraw/zinc/00/49/54/175004954.db2.gz NHIJZQKDIICWHQ-CBAPKCEASA-N 0 0 222.244 2.424 10 5 BEBERN COc1ccc(/C=C(\C)[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000072232869 175046141 /nfs/dbraw/zinc/04/61/41/175046141.db2.gz MGTCIJRPZJTOTM-FNORWQNLSA-N 0 0 238.199 2.241 10 5 BEBERN C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1CO ZINC000037911396 176111965 /nfs/dbraw/zinc/11/19/65/176111965.db2.gz NOMHIWWULOZBBO-SECBINFHSA-N 0 0 236.271 2.076 10 5 BEBERN C[C@H](O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000035631064 177017060 /nfs/dbraw/zinc/01/70/60/177017060.db2.gz AJAQABBFWXSJBE-VIFPVBQESA-N 0 0 236.271 2.248 10 5 BEBERN C[C@H]1C[C@@H]1CN(C)c1ccc([N+](=O)[O-])cc1C=O ZINC000104425233 177342583 /nfs/dbraw/zinc/34/25/83/177342583.db2.gz SMIJCKALWFNOGZ-VHSXEESVSA-N 0 0 248.282 2.500 10 5 BEBERN Cn1ccc(-c2cccc([N+](=O)[O-])c2)c1C=O ZINC000536958280 323969257 /nfs/dbraw/zinc/96/92/57/323969257.db2.gz JZWIMYNANKFKCI-UHFFFAOYSA-N 0 0 230.223 2.413 10 5 BEBERN C[C@]1(F)CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408463451 487554136 /nfs/dbraw/zinc/55/41/36/487554136.db2.gz BURNKWNQUDMHDR-JTQLQIEISA-N 0 0 243.213 2.067 10 5 BEBERN C[C@@]1([N+](=O)[O-])O[C@@H]1c1c(F)cccc1F ZINC000334163788 525887497 /nfs/dbraw/zinc/88/74/97/525887497.db2.gz FRXSMOPXPMMEAQ-RKDXNWHRSA-N 0 0 215.155 2.029 10 5 BEBERN Cn1ccccc1=Nc1ccc([N+](=O)[O-])cc1 ZINC000253370610 527412119 /nfs/dbraw/zinc/41/21/19/527412119.db2.gz TVEVGRGTUZEPBQ-UHFFFAOYSA-N 0 0 229.239 2.166 10 5 BEBERN CCc1nn(C)c(N[C@H]2C[C@H]2CC)c1[N+](=O)[O-] ZINC000220008999 536182975 /nfs/dbraw/zinc/18/29/75/536182975.db2.gz XQZDVLDMZJDROA-APPZFPTMSA-N 0 0 238.291 2.101 10 5 BEBERN Cc1ccc(OC(=O)[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000131672283 591636830 /nfs/dbraw/zinc/63/68/30/591636830.db2.gz IACUFYUIWLCSBX-WPRPVWTQSA-N 0 0 235.239 2.465 10 5 BEBERN Cc1ccc(OC(=O)[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000131672482 591637062 /nfs/dbraw/zinc/63/70/62/591637062.db2.gz IACUFYUIWLCSBX-PSASIEDQSA-N 0 0 235.239 2.465 10 5 BEBERN C[C@H](O)[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000343798375 636775649 /nfs/dbraw/zinc/77/56/49/636775649.db2.gz VRPIDXQPYNMYGF-WDSKDSINSA-N 0 0 246.213 2.054 10 5 BEBERN Cc1cc(N[C@@H](C)[C@@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000359952693 711959055 /nfs/dbraw/zinc/95/90/55/711959055.db2.gz PCSLDLSGWFBREO-JGVFFNPUSA-N 0 0 242.250 2.224 10 5 BEBERN Cc1cc(Cl)nc2[nH]cc([N+](=O)[O-])c21 ZINC000095937037 178073343 /nfs/dbraw/zinc/07/33/43/178073343.db2.gz LZAXFFLXSVDNJQ-UHFFFAOYSA-N 0 0 211.608 2.433 10 5 BEBERN O=[N+]([O-])c1cc(OCF)c(F)cc1F ZINC000306641186 361750190 /nfs/dbraw/zinc/75/01/90/361750190.db2.gz LLCACZWEUBLCGO-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN CCC1=NC(=O)c2cccc([N+](=O)[O-])c2C1 ZINC000146050224 342765523 /nfs/dbraw/zinc/76/55/23/342765523.db2.gz SJNFZBCTCWFFDW-UHFFFAOYSA-N 0 0 218.212 2.142 10 5 BEBERN COC(=O)c1cc[nH]c1-c1ccccc1[N+](=O)[O-] ZINC000138390877 342828831 /nfs/dbraw/zinc/82/88/31/342828831.db2.gz KZIZYJSEVHNUTK-UHFFFAOYSA-N 0 0 246.222 2.377 10 5 BEBERN CC[C@@H](NO)c1cc([N+](=O)[O-])ccc1F ZINC000308964370 342878949 /nfs/dbraw/zinc/87/89/49/342878949.db2.gz LJZAGUXUFATRDK-SECBINFHSA-N 0 0 214.196 2.164 10 5 BEBERN CC(C)(C)[C@@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000078670248 398310468 /nfs/dbraw/zinc/31/04/68/398310468.db2.gz APDUUBJNDYOZCA-NSHDSACASA-N 0 0 238.287 2.414 10 5 BEBERN CCCOc1ccc([N+](=O)[O-])c(Cl)n1 ZINC000575433764 398327885 /nfs/dbraw/zinc/32/78/85/398327885.db2.gz HKEFSUIYNWPEQP-UHFFFAOYSA-N 0 0 216.624 2.432 10 5 BEBERN O=c1c2ccccc2[nH]c2cccc(O)c21 ZINC000014442539 398329807 /nfs/dbraw/zinc/32/98/07/398329807.db2.gz YZTFXTYKRHQLIU-UHFFFAOYSA-N 0 0 211.220 2.387 10 5 BEBERN Cc1ccnc2c(Cl)c([N+](=O)[O-])cnc12 ZINC000235797162 343076682 /nfs/dbraw/zinc/07/66/82/343076682.db2.gz MJMUIOKYSQLTTP-UHFFFAOYSA-N 0 0 223.619 2.500 10 5 BEBERN CC(C)N(C)CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000034989670 187257647 /nfs/dbraw/zinc/25/76/47/187257647.db2.gz GKUADCRBHNDTNV-UHFFFAOYSA-N 0 0 236.271 2.118 10 5 BEBERN O=[N+]([O-])c1ccccc1N[C@@H]1CCC[C@H](O)C1 ZINC000148553154 343392708 /nfs/dbraw/zinc/39/27/08/343392708.db2.gz WCQHTXNFJXIKIQ-ZJUUUORDSA-N 0 0 236.271 2.310 10 5 BEBERN C=CC[C@@H]([C@@H](O)CCCCC)[N+](=O)[O-] ZINC000205848355 343656219 /nfs/dbraw/zinc/65/62/19/343656219.db2.gz PIBBVLLDMUPAPK-UWVGGRQHSA-N 0 0 201.266 2.149 10 5 BEBERN O=[N+]([O-])c1cccc([C@H](NO)C(F)(F)F)c1 ZINC000309513982 343661679 /nfs/dbraw/zinc/66/16/79/343661679.db2.gz SJFRIRVUWSLKAE-ZETCQYMHSA-N 0 0 236.149 2.177 10 5 BEBERN O=[N+]([O-])c1n[nH]c2c1cccc2Br ZINC000299889585 187354061 /nfs/dbraw/zinc/35/40/61/187354061.db2.gz LILSXMSHSAZZDK-UHFFFAOYSA-N 0 0 242.032 2.234 10 5 BEBERN CCOC(=O)/C=C/c1ccc(C)cc1[N+](=O)[O-] ZINC000095079957 187286493 /nfs/dbraw/zinc/28/64/93/187286493.db2.gz RIQHRYBNMBKEQN-VOTSOKGWSA-N 0 0 235.239 2.480 10 5 BEBERN O=[N+]([O-])c1c(Cl)cncc1OC1CC1 ZINC000095735491 187287734 /nfs/dbraw/zinc/28/77/34/187287734.db2.gz JTKRSNFAFVPFLU-UHFFFAOYSA-N 0 0 214.608 2.184 10 5 BEBERN O=[N+]([O-])c1ncc(OC(F)(F)F)cc1F ZINC000238612353 344680215 /nfs/dbraw/zinc/68/02/15/344680215.db2.gz DHSUMAMLAUPSTC-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=Cc1cc(F)c(Br)c([N+](=O)[O-])c1 ZINC000238584866 345082566 /nfs/dbraw/zinc/08/25/66/345082566.db2.gz QGTRKWXANNCIDM-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN O=[N+]([O-])c1cccc(O)c1OC(F)(F)F ZINC000238724955 345120894 /nfs/dbraw/zinc/12/08/94/345120894.db2.gz XLLFZYWOQNUVAG-UHFFFAOYSA-N 0 0 223.106 2.199 10 5 BEBERN O=[N+]([O-])c1ccc(NO[C@@H]2CCCCO2)cc1 ZINC000091477434 345594302 /nfs/dbraw/zinc/59/43/02/345594302.db2.gz STEQZESMYUPMTN-LLVKDONJSA-N 0 0 238.243 2.465 10 5 BEBERN Cc1ccc2[nH]c(=O)c3ccccc3c(=O)c2c1 ZINC000032257417 345760329 /nfs/dbraw/zinc/76/03/29/345760329.db2.gz CCXGIDUIRMVHCR-UHFFFAOYSA-N 0 0 237.258 2.350 10 5 BEBERN O=[N+]([O-])C[C@@H](CCl)OCc1ccccc1 ZINC000034117372 345817000 /nfs/dbraw/zinc/81/70/00/345817000.db2.gz ZGIGEZGLYQACPW-SNVBAGLBSA-N 0 0 229.663 2.087 10 5 BEBERN O=[N+]([O-])c1cccc2ccc(CO)cc21 ZINC000219996651 345860686 /nfs/dbraw/zinc/86/06/86/345860686.db2.gz FIDFHCBMXLNECV-UHFFFAOYSA-N 0 0 203.197 2.240 10 5 BEBERN Cc1ccc([N+](=O)[O-])cc1NCc1cnccn1 ZINC000054766125 178932877 /nfs/dbraw/zinc/93/28/77/178932877.db2.gz SJIATYLXLUCDBC-UHFFFAOYSA-N 0 0 244.254 2.305 10 5 BEBERN CC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000005431148 346223595 /nfs/dbraw/zinc/22/35/95/346223595.db2.gz NMRWIARNFRTDFG-UHFFFAOYSA-N 0 0 211.242 2.276 10 5 BEBERN CCOC(=O)[C@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000149140133 346566057 /nfs/dbraw/zinc/56/60/57/346566057.db2.gz MZTNKLFZFLDHMS-MNOVXSKESA-N 0 0 235.239 2.261 10 5 BEBERN C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1CCCO1 ZINC000189682191 347308373 /nfs/dbraw/zinc/30/83/73/347308373.db2.gz FTFCGFDEOGPFRQ-RNFRBKRXSA-N 0 0 243.288 2.031 10 5 BEBERN C[C@@H](Oc1cc([N+](=O)[O-])ccn1)C(F)(F)F ZINC000616567823 347436766 /nfs/dbraw/zinc/43/67/66/347436766.db2.gz CVXYEHITOWTUGA-RXMQYKEDSA-N 0 0 236.149 2.319 10 5 BEBERN CC[C@H](C=O)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000224978351 348273372 /nfs/dbraw/zinc/27/33/72/348273372.db2.gz DCOZLRHTURZMSR-PWSUYJOCSA-N 0 0 221.256 2.272 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(NC2CC(CO)C2)c1 ZINC000596569120 348581432 /nfs/dbraw/zinc/58/14/32/348581432.db2.gz RFEMJNZDYGCDRD-UHFFFAOYSA-N 0 0 236.271 2.086 10 5 BEBERN C[C@@H]1C[C@@H]1Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000308968799 349259676 /nfs/dbraw/zinc/25/96/76/349259676.db2.gz OBQMVSNBZPSZSB-VDTYLAMSSA-N 0 0 227.651 2.464 10 5 BEBERN CC[C@@](C)(O)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000087029602 538042108 /nfs/dbraw/zinc/04/21/08/538042108.db2.gz SDRZFRAHANIWOH-LLVKDONJSA-N 0 0 242.250 2.307 10 5 BEBERN Cc1nc(N[C@@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000161545406 180024243 /nfs/dbraw/zinc/02/42/43/180024243.db2.gz JYPYGCCDNYMMOA-POYBYMJQSA-N 0 0 207.233 2.119 10 5 BEBERN Cc1ncccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000038526328 180227706 /nfs/dbraw/zinc/22/77/06/180227706.db2.gz HHJZXWHOKJJPCT-UHFFFAOYSA-N 0 0 231.211 2.486 10 5 BEBERN Cc1ncn(Cc2cc([N+](=O)[O-])ccc2N)c1C ZINC000051928359 180287704 /nfs/dbraw/zinc/28/77/04/180287704.db2.gz FVNDNXOYQUPPMC-UHFFFAOYSA-N 0 0 246.270 2.039 10 5 BEBERN Cc1nn(C)c(Oc2ccccc2N)c1[N+](=O)[O-] ZINC000038056604 180361663 /nfs/dbraw/zinc/36/16/63/180361663.db2.gz VRVWEULOAWTMFR-UHFFFAOYSA-N 0 0 248.242 2.011 10 5 BEBERN O=[N+]([O-])c1cc(F)cc2[nH]nc(Cl)c21 ZINC000014983886 350441368 /nfs/dbraw/zinc/44/13/68/350441368.db2.gz RSCGDBIIQOZRKK-UHFFFAOYSA-N 0 0 215.571 2.264 10 5 BEBERN CC(C)C(=O)Oc1ccccc1[N+](=O)[O-] ZINC000034411280 350468160 /nfs/dbraw/zinc/46/81/60/350468160.db2.gz SWVVHSGIBDWCDD-UHFFFAOYSA-N 0 0 209.201 2.156 10 5 BEBERN NN=c1[nH]c2c(cc([N+](=O)[O-])cc2Cl)s1 ZINC000014985104 350473855 /nfs/dbraw/zinc/47/38/55/350473855.db2.gz MVLWOHBQKIIXKR-UHFFFAOYSA-N 0 0 244.663 2.144 10 5 BEBERN CC(C)(C)N1Cc2c(cccc2[N+](=O)[O-])C1=O ZINC000725266683 538096799 /nfs/dbraw/zinc/09/67/99/538096799.db2.gz GKKSABGVQOJHMT-UHFFFAOYSA-N 0 0 234.255 2.349 10 5 BEBERN Cc1cc(CO)cc([N+](=O)[O-])c1Br ZINC000306705763 350854181 /nfs/dbraw/zinc/85/41/81/350854181.db2.gz PFSYEFDFJVJFRQ-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN CC(C)(C)[C@@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000222352408 350901910 /nfs/dbraw/zinc/90/19/10/350901910.db2.gz AWXJOGZNVCVZMT-NSHDSACASA-N 0 0 239.271 2.381 10 5 BEBERN O=[N+]([O-])c1c(Cl)cc(CO)cc1Cl ZINC000306911613 351323756 /nfs/dbraw/zinc/32/37/56/351323756.db2.gz LBEWPPLJRJFCSI-UHFFFAOYSA-N 0 0 222.027 2.394 10 5 BEBERN CC(=O)CSc1cccc([N+](=O)[O-])c1 ZINC000313546008 351378821 /nfs/dbraw/zinc/37/88/21/351378821.db2.gz MGZXQCZNXMTXAE-UHFFFAOYSA-N 0 0 211.242 2.276 10 5 BEBERN Cc1c(Cl)c(CO)ccc1[N+](=O)[O-] ZINC000306955430 351380247 /nfs/dbraw/zinc/38/02/47/351380247.db2.gz AOLFZSYLYSJGIY-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN O=[N+]([O-])c1cc(Br)cc(Cl)n1 ZINC000306986522 351403424 /nfs/dbraw/zinc/40/34/24/351403424.db2.gz XOVKHEPFUNDYGY-UHFFFAOYSA-N 0 0 237.440 2.406 10 5 BEBERN CCCc1nc2ccc([N+](=O)[O-])cc2cc1NN ZINC000725268375 538100279 /nfs/dbraw/zinc/10/02/79/538100279.db2.gz OUVYYQHHSCQMJU-UHFFFAOYSA-N 0 0 246.270 2.381 10 5 BEBERN Cc1cc([N+](=O)[O-])cc(Cl)c1CO ZINC000307211162 351612793 /nfs/dbraw/zinc/61/27/93/351612793.db2.gz NONQUNSILPIBEK-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN Cc1cc([N+](=O)[O-])cc(CO)c1Cl ZINC000307301421 351925141 /nfs/dbraw/zinc/92/51/41/351925141.db2.gz KSJMYEQCKZJJPG-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN Cc1cc(Br)c([N+](=O)[O-])c(C=O)c1 ZINC000307293528 351903106 /nfs/dbraw/zinc/90/31/06/351903106.db2.gz DZMKQIXKOCKNCM-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN Nc1ccc([N+](=O)[O-])c(F)c1Br ZINC000307329457 352030501 /nfs/dbraw/zinc/03/05/01/352030501.db2.gz LQQRLKGHUSTWHR-UHFFFAOYSA-N 0 0 235.012 2.079 10 5 BEBERN Cc1cc(Cl)cc([N+](=O)[O-])c1CO ZINC000307351177 352212330 /nfs/dbraw/zinc/21/23/30/352212330.db2.gz JTVQNUCMNFJYSK-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN O=[N+]([O-])c1c[nH]c2ccc(C(F)(F)F)nc21 ZINC000044713084 352384309 /nfs/dbraw/zinc/38/43/09/352384309.db2.gz IPMPQFNRPFPQKZ-UHFFFAOYSA-N 0 0 231.133 2.490 10 5 BEBERN Cc1c(Br)c([N+](=O)[O-])ccc1C=O ZINC000307404372 352579689 /nfs/dbraw/zinc/57/96/89/352579689.db2.gz CXPFSYXFHRXTLU-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(Br)c1C[NH3+] ZINC000307633003 352723801 /nfs/dbraw/zinc/72/38/01/352723801.db2.gz MVSVACMUGVBPTN-UHFFFAOYSA-N 0 0 245.076 2.124 10 5 BEBERN Cc1cc(N)c([N+](=O)[O-])c(Br)c1 ZINC000307633208 352724490 /nfs/dbraw/zinc/72/44/90/352724490.db2.gz NTNHKTUYYWJJAQ-UHFFFAOYSA-N 0 0 231.049 2.248 10 5 BEBERN O=[N+]([O-])c1ccc2c(c1)CCC[C@@H]1O[C@@H]21 ZINC000019796295 352755312 /nfs/dbraw/zinc/75/53/12/352755312.db2.gz VSLPWKQDNQKZNQ-QWRGUYRKSA-N 0 0 205.213 2.371 10 5 BEBERN Cc1c([N+](=O)[O-])ccc2c(Cl)ncnc12 ZINC000160102147 353137805 /nfs/dbraw/zinc/13/78/05/353137805.db2.gz SQDYAMKSCABHIS-UHFFFAOYSA-N 0 0 223.619 2.500 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1-c1cc(N)on1 ZINC000034963941 188285382 /nfs/dbraw/zinc/28/53/82/188285382.db2.gz PRNLMPALBFSPTF-UHFFFAOYSA-N 0 0 219.200 2.140 10 5 BEBERN O=[N+]([O-])c1c(Cl)ncnc1NC1CCCC1 ZINC000004243341 354821810 /nfs/dbraw/zinc/82/18/10/354821810.db2.gz ZXVRRJFCWNTAKJ-UHFFFAOYSA-N 0 0 242.666 2.393 10 5 BEBERN C[C@H](C=O)[C@H](C[N+](=O)[O-])c1ccccc1F ZINC000205246812 355578753 /nfs/dbraw/zinc/57/87/53/355578753.db2.gz DPIFBRMLUGBKGF-SCZZXKLOSA-N 0 0 225.219 2.021 10 5 BEBERN O=[N+]([O-])c1cccc([C@]23C[C@H](CC2)[C@@H]3O)c1 ZINC000675081269 538521811 /nfs/dbraw/zinc/52/18/11/538521811.db2.gz OYNISZUAQZIXSD-KPXOXKRLSA-N 0 0 219.240 2.007 10 5 BEBERN C[C@H]1Cc2ccc([N+](=O)[O-])cc2C(=O)C1 ZINC000675077206 538512790 /nfs/dbraw/zinc/51/27/90/538512790.db2.gz ARJKVLHDMIQBOC-ZETCQYMHSA-N 0 0 205.213 2.360 10 5 BEBERN O=[N+]([O-])c1ccn(-c2cc(F)cc(F)c2)n1 ZINC000584613505 358277745 /nfs/dbraw/zinc/27/77/45/358277745.db2.gz MLWMZURSEQCUMG-UHFFFAOYSA-N 0 0 225.154 2.059 10 5 BEBERN Cc1cccc(N[C@@H](C)[C@@H](C)CO)c1[N+](=O)[O-] ZINC000218858507 134265099 /nfs/dbraw/zinc/26/50/99/134265099.db2.gz VIIIOABLBXSFQX-UWVGGRQHSA-N 0 0 238.287 2.332 10 5 BEBERN N=C1O[C@@H](c2ccc([N+](=O)[O-])cc2)CS1 ZINC000584625184 358293939 /nfs/dbraw/zinc/29/39/39/358293939.db2.gz LIDNEGJALRXVOO-MRVPVSSYSA-N 0 0 224.241 2.334 10 5 BEBERN Cc1coc2ccc([N+](=O)[O-])cc2c1=O ZINC000584631507 358313696 /nfs/dbraw/zinc/31/36/96/358313696.db2.gz AKEQGXRIBXQEFP-UHFFFAOYSA-N 0 0 205.169 2.010 10 5 BEBERN CNc1cc(Nc2ccccc2[N+](=O)[O-])ncn1 ZINC000584635690 358320124 /nfs/dbraw/zinc/32/01/24/358320124.db2.gz AJZXYFMMDZKXHS-UHFFFAOYSA-N 0 0 245.242 2.170 10 5 BEBERN CCCCOCCNc1ccncc1[N+](=O)[O-] ZINC000040507593 358940218 /nfs/dbraw/zinc/94/02/18/358940218.db2.gz MZEGGSMOVMNFEK-UHFFFAOYSA-N 0 0 239.275 2.218 10 5 BEBERN O=[N+]([O-])c1c(Cl)ccc(CO)c1Cl ZINC000306520149 360343267 /nfs/dbraw/zinc/34/32/67/360343267.db2.gz JYCRCFSGPNJNOM-UHFFFAOYSA-N 0 0 222.027 2.394 10 5 BEBERN O=[N+]([O-])c1nn(Cc2ccco2)cc1Cl ZINC000069760016 360409064 /nfs/dbraw/zinc/40/90/64/360409064.db2.gz UMIXJLKIGIQIKR-UHFFFAOYSA-N 0 0 227.607 2.086 10 5 BEBERN Cc1ccc(C[NH3+])c([N+](=O)[O-])c1Br ZINC000306591585 360507297 /nfs/dbraw/zinc/50/72/97/360507297.db2.gz YQIYLDVJLZBUKW-UHFFFAOYSA-N 0 0 245.076 2.124 10 5 BEBERN Cc1ccc([N+](=O)[O-])nc1OC(F)(F)F ZINC000238507443 361129685 /nfs/dbraw/zinc/12/96/85/361129685.db2.gz MHRTYSLUKBIFAY-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN Cc1cc([N+](=O)[O-])ncc1OC(F)(F)F ZINC000238555878 361150223 /nfs/dbraw/zinc/15/02/23/361150223.db2.gz VPMWNIBAQQSRDT-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN CCOC(=O)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000038294297 364432315 /nfs/dbraw/zinc/43/23/15/364432315.db2.gz CAVIDEZCVXRIRS-UHFFFAOYSA-N 0 0 243.646 2.354 10 5 BEBERN COc1cc2ncc([N+](=O)[O-])c(C)c2cc1OC ZINC000032265089 368320956 /nfs/dbraw/zinc/32/09/56/368320956.db2.gz YBVQVSSURNFYRY-UHFFFAOYSA-N 0 0 248.238 2.469 10 5 BEBERN COc1cc(-c2cnco2)ccc1[N+](=O)[O-] ZINC000222072961 368363043 /nfs/dbraw/zinc/36/30/43/368363043.db2.gz HWQVKWIRGPBCFT-UHFFFAOYSA-N 0 0 220.184 2.258 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(NCC2CC(O)C2)c1 ZINC000094659792 369863763 /nfs/dbraw/zinc/86/37/63/369863763.db2.gz NVSDZCCZWFDWKN-UHFFFAOYSA-N 0 0 236.271 2.086 10 5 BEBERN C[C@@H](O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000113657806 370450294 /nfs/dbraw/zinc/45/02/94/370450294.db2.gz HBMGXDILHFAVSR-RXMQYKEDSA-N 0 0 246.060 2.411 10 5 BEBERN N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000309253992 181564271 /nfs/dbraw/zinc/56/42/71/181564271.db2.gz RPPLHJLOAZCLFS-ZETCQYMHSA-N 0 0 238.140 2.296 10 5 BEBERN Nc1cc(-c2ccc(Cl)cc2[N+](=O)[O-])no1 ZINC000034963926 181673727 /nfs/dbraw/zinc/67/37/27/181673727.db2.gz KQCUXKAVRMQVDZ-UHFFFAOYSA-N 0 0 239.618 2.485 10 5 BEBERN CCC[C@@H](NO)c1cccc([N+](=O)[O-])c1 ZINC000132142175 371756660 /nfs/dbraw/zinc/75/66/60/371756660.db2.gz HXPOSEDTSORYNF-SNVBAGLBSA-N 0 0 210.233 2.415 10 5 BEBERN C[C@@H](CO)Nc1cccc(Cl)c1[N+](=O)[O-] ZINC000132701539 371899888 /nfs/dbraw/zinc/89/98/88/371899888.db2.gz CCHFOPWBVSNLMR-LURJTMIESA-N 0 0 230.651 2.041 10 5 BEBERN O=[N+]([O-])c1c(F)ccc(OCF)c1F ZINC000306940429 372080551 /nfs/dbraw/zinc/08/05/51/372080551.db2.gz PGGRGLVLZWRWKW-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN CC[C@@H](C=O)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000038862717 372795629 /nfs/dbraw/zinc/79/56/29/372795629.db2.gz DCOZLRHTURZMSR-JQWIXIFHSA-N 0 0 221.256 2.272 10 5 BEBERN O=C(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000050964065 182038802 /nfs/dbraw/zinc/03/88/02/182038802.db2.gz SYKOONUCPMXWPY-ZDUSSCGKSA-N 0 0 249.266 2.276 10 5 BEBERN O=[N+]([O-])c1cccc(-c2ccc(CO)cn2)c1 ZINC000039927648 373060636 /nfs/dbraw/zinc/06/06/36/373060636.db2.gz HICKPOBFMSLKQA-UHFFFAOYSA-N 0 0 230.223 2.149 10 5 BEBERN O=[N+]([O-])c1cc(Cl)ccc1OC[C@@H]1CO1 ZINC000019517756 182923578 /nfs/dbraw/zinc/92/35/78/182923578.db2.gz TXWUEAKLAFOELR-ZETCQYMHSA-N 0 0 229.619 2.026 10 5 BEBERN O=[N+]([O-])c1cc(NCc2cnccn2)ccc1F ZINC000054766129 182924619 /nfs/dbraw/zinc/92/46/19/182924619.db2.gz MOPNYDXHHXIXLW-UHFFFAOYSA-N 0 0 248.217 2.136 10 5 BEBERN O=[N+]([O-])c1ccnc(NC2CCCC2)c1 ZINC000043567594 182954165 /nfs/dbraw/zinc/95/41/65/182954165.db2.gz DQRGUNYDYUGFJB-UHFFFAOYSA-N 0 0 207.233 2.344 10 5 BEBERN C[C@@]1(Nc2ncc([N+](=O)[O-])s2)CCCOC1 ZINC000309381901 383996734 /nfs/dbraw/zinc/99/67/34/383996734.db2.gz DKCDKONNRTVJMQ-SECBINFHSA-N 0 0 243.288 2.032 10 5 BEBERN CCOc1c(O)ccc([N+](=O)[O-])c1OC(F)F ZINC000575656811 384373743 /nfs/dbraw/zinc/37/37/43/384373743.db2.gz GWFRPXQCCZTDGD-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN CCC[C@@H](O)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000134444953 384326305 /nfs/dbraw/zinc/32/63/05/384326305.db2.gz SRGVDMPCXJZFMW-SECBINFHSA-N 0 0 242.250 2.307 10 5 BEBERN O=Cc1ccc(F)c(OC(F)F)c1[N+](=O)[O-] ZINC000575660915 384411653 /nfs/dbraw/zinc/41/16/53/384411653.db2.gz CYKPFJFLIYMHOQ-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN O=[N+]([O-])c1cnc2ccccc2c1-n1ccnc1 ZINC000125372346 384797139 /nfs/dbraw/zinc/79/71/39/384797139.db2.gz WZIRJMPMPFFXPX-UHFFFAOYSA-N 0 0 240.222 2.329 10 5 BEBERN COc1cc(C(F)(F)F)c(N)cc1[N+](=O)[O-] ZINC000575730054 384922963 /nfs/dbraw/zinc/92/29/63/384922963.db2.gz RMNIPMNSLLVGHZ-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@@](C)(F)C2)n1 ZINC000408049353 385176558 /nfs/dbraw/zinc/17/65/58/385176558.db2.gz YIURCSRGHCUXII-LLVKDONJSA-N 0 0 239.250 2.237 10 5 BEBERN CC(C)(C)[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000282912388 385210866 /nfs/dbraw/zinc/21/08/66/385210866.db2.gz FTWDRBZRCJBNFJ-NSHDSACASA-N 0 0 239.271 2.381 10 5 BEBERN CCOC(=O)Cc1cc(C)cc([N+](=O)[O-])c1 ZINC000259958481 385615700 /nfs/dbraw/zinc/61/57/00/385615700.db2.gz FDMLWBFSMKWRNL-UHFFFAOYSA-N 0 0 223.228 2.009 10 5 BEBERN O=[N+]([O-])c1cnccc1N[C@@H]1CCCSC1 ZINC000129205592 385740230 /nfs/dbraw/zinc/74/02/30/385740230.db2.gz XHPPDINBWDOMEW-MRVPVSSYSA-N 0 0 239.300 2.297 10 5 BEBERN O=[N+]([O-])c1c(Br)cccc1NO ZINC000307178251 386085847 /nfs/dbraw/zinc/08/58/47/386085847.db2.gz JQZHWLVFIWFNDI-UHFFFAOYSA-N 0 0 233.021 2.158 10 5 BEBERN O=[N+]([O-])c1cc(Cl)cc(Cl)c1CO ZINC000307489692 386684137 /nfs/dbraw/zinc/68/41/37/386684137.db2.gz FZPOMZSIYBIRSS-UHFFFAOYSA-N 0 0 222.027 2.394 10 5 BEBERN CCOC(=O)Cc1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000575397287 386997837 /nfs/dbraw/zinc/99/78/37/386997837.db2.gz XYSVCJJWUAXUJT-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(C)c1F ZINC000575397270 386998229 /nfs/dbraw/zinc/99/82/29/386998229.db2.gz JOHWZAFSIIBKLE-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(C)c1C ZINC000575397160 386998366 /nfs/dbraw/zinc/99/83/66/386998366.db2.gz ZYZTZFQOGMWCQF-UHFFFAOYSA-N 0 0 237.255 2.317 10 5 BEBERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(F)c1C ZINC000575397274 386999061 /nfs/dbraw/zinc/99/90/61/386999061.db2.gz NBILCFRWJXJQTQ-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(O)c1OC(F)F ZINC000575658536 387047559 /nfs/dbraw/zinc/04/75/59/387047559.db2.gz PVQSOCPPTKBKHQ-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN O=c1cc[nH]c2c(Cl)ccc([N+](=O)[O-])c12 ZINC000575434017 387057715 /nfs/dbraw/zinc/05/77/15/387057715.db2.gz CLZHYYPBUZLGCS-UHFFFAOYSA-N 0 0 224.603 2.090 10 5 BEBERN COc1ccc([N+](=O)[O-])c(OC(F)F)c1F ZINC000575661405 387060675 /nfs/dbraw/zinc/06/06/75/387060675.db2.gz OUNMNSPBOKBJEM-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN COc1c(F)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575661445 387061714 /nfs/dbraw/zinc/06/17/14/387061714.db2.gz PVFGSMQQCNTAGM-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN COc1cc(F)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575661955 387159136 /nfs/dbraw/zinc/15/91/36/387159136.db2.gz WXURRDLCQRUJAK-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN COc1ccc([N+](=O)[O-])c(OC(F)F)c1C=O ZINC000575665562 387314956 /nfs/dbraw/zinc/31/49/56/387314956.db2.gz PQZHOEDVFYJSBU-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN CC(=O)c1cc(O)cc([N+](=O)[O-])c1OC(F)F ZINC000575663019 387270578 /nfs/dbraw/zinc/27/05/78/387270578.db2.gz PAKXXTHXRHMBCJ-UHFFFAOYSA-N 0 0 247.153 2.104 10 5 BEBERN Cc1c(C(N)=O)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575675537 387357650 /nfs/dbraw/zinc/35/76/50/387357650.db2.gz VGZCJXYWZWWVDK-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN O=[N+]([O-])c1ccc([C@@H]2C[C@@H]2[C@@H]2C[C@@H]2[N+](=O)[O-])cc1 ZINC000575602469 387371553 /nfs/dbraw/zinc/37/15/53/387371553.db2.gz PVIUPUUTGBJEJK-BJDJZHNGSA-N 0 0 248.238 2.364 10 5 BEBERN Cc1cc([N+](=O)[O-])cc(C=O)c1OC(F)F ZINC000575667198 387322502 /nfs/dbraw/zinc/32/25/02/387322502.db2.gz KXWMUCQRSABMHD-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN O=[N+]([O-])c1cc(F)cc(C(F)F)c1CO ZINC000575669553 387328457 /nfs/dbraw/zinc/32/84/57/387328457.db2.gz BJDBSYDOYXUCJS-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN O=[N+]([O-])c1cc(C(F)F)c(CO)cc1F ZINC000575669731 387331038 /nfs/dbraw/zinc/33/10/38/387331038.db2.gz LUKLLZZQMKUFPG-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN O=[N+]([O-])c1cc(CO)cc(C(F)F)c1F ZINC000575670212 387331168 /nfs/dbraw/zinc/33/11/68/387331168.db2.gz XLGPHFJGJAZMSW-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN O=[N+]([O-])c1cc(CO)c(C(F)F)cc1F ZINC000575669720 387331380 /nfs/dbraw/zinc/33/13/80/387331380.db2.gz LEFFHRBYVYPTIV-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN COc1cc([N+](=O)[O-])cc(C(F)F)c1C=O ZINC000575672237 387337617 /nfs/dbraw/zinc/33/76/17/387337617.db2.gz VAINMGYSKGIKMV-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN COc1cc([N+](=O)[O-])c(C(F)F)cc1C=O ZINC000575671782 387338581 /nfs/dbraw/zinc/33/85/81/387338581.db2.gz MRKFPWANGZWYRW-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN CCOC(=O)c1ccc(OC)c([N+](=O)[O-])c1C ZINC000575673131 387339111 /nfs/dbraw/zinc/33/91/11/387339111.db2.gz DFKCLZBUXHYQDA-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN Cc1cc(C(F)(F)F)c([N+](=O)[O-])cc1C(N)=O ZINC000575673088 387342816 /nfs/dbraw/zinc/34/28/16/387342816.db2.gz ARGDRLBRLWKIEO-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN COc1cc(CO)cc([N+](=O)[O-])c1C(F)F ZINC000575672168 387342894 /nfs/dbraw/zinc/34/28/94/387342894.db2.gz ROESBWFYIOYAHP-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN CC(=O)c1cc(N)c(Cl)cc1[N+](=O)[O-] ZINC000575716059 387430768 /nfs/dbraw/zinc/43/07/68/387430768.db2.gz HVDTWARCFOGXTA-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1c(C(F)(F)F)ccc(N)c1[N+](=O)[O-] ZINC000575719876 387439236 /nfs/dbraw/zinc/43/92/36/387439236.db2.gz NONMEHRCPVUUPL-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN CC(=O)c1cc(N)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575719560 387440082 /nfs/dbraw/zinc/44/00/82/387440082.db2.gz FXLFSGOFTGBSLX-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN CC(=O)c1c([N+](=O)[O-])ccc(N)c1C(F)(F)F ZINC000575719762 387440428 /nfs/dbraw/zinc/44/04/28/387440428.db2.gz IWZYKWAGARQXQH-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN Cc1cc(OC(F)F)c(N)cc1[N+](=O)[O-] ZINC000575721044 387442912 /nfs/dbraw/zinc/44/29/12/387442912.db2.gz HEGKQOCUJMGXMO-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Nc1ccc(OC(F)F)c([N+](=O)[O-])c1Cl ZINC000575722991 387445823 /nfs/dbraw/zinc/44/58/23/387445823.db2.gz YCYWUIVLQCXEOT-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Nc1cc(OC(F)F)cc([N+](=O)[O-])c1Cl ZINC000575722843 387446361 /nfs/dbraw/zinc/44/63/61/387446361.db2.gz UZSDEKJGKFBPCU-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Nc1ccc(Cl)c([N+](=O)[O-])c1OC(F)F ZINC000575722947 387446797 /nfs/dbraw/zinc/44/67/97/387446797.db2.gz WYBZFBNWZRHEOK-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN CCOc1c(C=O)c(CC)ccc1[N+](=O)[O-] ZINC000575694539 387386366 /nfs/dbraw/zinc/38/63/66/387386366.db2.gz DXPLTWVOOCAAJC-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(OC)cc1C ZINC000575698631 387397841 /nfs/dbraw/zinc/39/78/41/387397841.db2.gz BNRGPWXRVVDYOY-UHFFFAOYSA-N 0 0 211.217 2.311 10 5 BEBERN CCOc1cc(C=O)c([N+](=O)[O-])cc1CC ZINC000575697067 387398256 /nfs/dbraw/zinc/39/82/56/387398256.db2.gz SFWKODHWSWUERL-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CCOc1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000575698678 387398739 /nfs/dbraw/zinc/39/87/39/387398739.db2.gz DCULDOJLIRHXRP-UHFFFAOYSA-N 0 0 211.217 2.311 10 5 BEBERN CSc1cc([N+](=O)[O-])cc(F)c1C=O ZINC000575708304 387412493 /nfs/dbraw/zinc/41/24/93/387412493.db2.gz CLBQYTJCKUTQSS-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN COc1cc(F)cc(SC)c1[N+](=O)[O-] ZINC000575708324 387412525 /nfs/dbraw/zinc/41/25/25/387412525.db2.gz MYXKTNKHFKJKQU-UHFFFAOYSA-N 0 0 217.221 2.464 10 5 BEBERN COC(=O)c1c(OC)c(Cl)ccc1[N+](=O)[O-] ZINC000575713165 387417009 /nfs/dbraw/zinc/41/70/09/387417009.db2.gz QVHBBBSDDDVLDR-UHFFFAOYSA-N 0 0 245.618 2.043 10 5 BEBERN COC(=O)c1cc(Cl)c([N+](=O)[O-])cc1OC ZINC000575712281 387417339 /nfs/dbraw/zinc/41/73/39/387417339.db2.gz DQWAYGCKXVIMQW-UHFFFAOYSA-N 0 0 245.618 2.043 10 5 BEBERN COC(=O)Cc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000575712883 387417375 /nfs/dbraw/zinc/41/73/75/387417375.db2.gz PZUVXNBXFTXIOQ-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COc1cc(N)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575728626 387466440 /nfs/dbraw/zinc/46/64/40/387466440.db2.gz FSPFRARLYFHOMC-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1c([N+](=O)[O-])cc(N)cc1C(F)(F)F ZINC000575730068 387467958 /nfs/dbraw/zinc/46/79/58/387467958.db2.gz RXUFNECQBHJSKY-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1c(N)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575730013 387468422 /nfs/dbraw/zinc/46/84/22/387468422.db2.gz QLQFBBKZMJPKGP-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1ccc([N+](=O)[O-])c(N)c1C(F)(F)F ZINC000575728995 387469321 /nfs/dbraw/zinc/46/93/21/387469321.db2.gz IHHQRKUGRMNVMZ-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1cc(C(F)(F)F)cc(N)c1[N+](=O)[O-] ZINC000575729611 387469810 /nfs/dbraw/zinc/46/98/10/387469810.db2.gz OBOORDRUFWNYRZ-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1cc(C(F)(F)F)c([N+](=O)[O-])cc1C=O ZINC000575729682 387470226 /nfs/dbraw/zinc/47/02/26/387470226.db2.gz OTDTXNFWSNNRMA-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1c(C=O)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000575730658 387471798 /nfs/dbraw/zinc/47/17/98/387471798.db2.gz ZOFXXYQZLMPDAS-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1c([N+](=O)[O-])cc(C=O)cc1C(F)(F)F ZINC000575730746 387471984 /nfs/dbraw/zinc/47/19/84/387471984.db2.gz RDWGXFULRZDFAO-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN Nc1ccc2nc3cccc(O)c3nc2c1 ZINC000013354069 387830661 /nfs/dbraw/zinc/83/06/61/387830661.db2.gz UGHMMOVTJJZYMM-UHFFFAOYSA-N 0 0 211.224 2.071 10 5 BEBERN CCOC(=O)Cc1cc(F)cc(C)c1[N+](=O)[O-] ZINC000575397279 388615530 /nfs/dbraw/zinc/61/55/30/388615530.db2.gz QYAUKEGPWOUDCO-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CSC[C@H](C)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000301328911 388579553 /nfs/dbraw/zinc/57/95/53/388579553.db2.gz JYRYGSCJIURSII-QMMMGPOBSA-N 0 0 241.316 2.178 10 5 BEBERN O=[N+]([O-])c1cnc2nc(Cl)sc2c1 ZINC000079052164 388690060 /nfs/dbraw/zinc/69/00/60/388690060.db2.gz ZAWXFDQGLNLZGS-UHFFFAOYSA-N 0 0 215.621 2.253 10 5 BEBERN Cc1cc(-c2nnc(N)s2)ccc1[N+](=O)[O-] ZINC000003716780 177694426 /nfs/dbraw/zinc/69/44/26/177694426.db2.gz SMCXICRSFWNKCF-UHFFFAOYSA-N 0 0 236.256 2.004 10 5 BEBERN O=[N+]([O-])c1cc(CO)ccc1N1CCCCC1 ZINC000020369015 132331550 /nfs/dbraw/zinc/33/15/50/132331550.db2.gz KEWKMSUQVJXYPO-UHFFFAOYSA-N 0 0 236.271 2.077 10 5 BEBERN CC(=O)c1cc([N+](=O)[O-])ccc1-n1cc(C)cn1 ZINC000061570060 166448101 /nfs/dbraw/zinc/44/81/01/166448101.db2.gz JZLLVDGSFQKTAD-UHFFFAOYSA-N 0 0 245.238 2.292 10 5 BEBERN CCOCCNc1cc(F)ccc1[N+](=O)[O-] ZINC000052119632 170415588 /nfs/dbraw/zinc/41/55/88/170415588.db2.gz MTWJFXJQSGZXIZ-UHFFFAOYSA-N 0 0 228.223 2.182 10 5 BEBERN CC[C@H](C(C)C)n1nc(C)c([N+](=O)[O-])c1N ZINC000043670982 171242345 /nfs/dbraw/zinc/24/23/45/171242345.db2.gz NQDGYVIZMMBVTQ-MRVPVSSYSA-N 0 0 226.280 2.289 10 5 BEBERN CC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000083353175 171342874 /nfs/dbraw/zinc/34/28/74/171342874.db2.gz KPDJUQHUDXLAKI-QMMMGPOBSA-N 0 0 224.260 2.189 10 5 BEBERN CC[C@H](C)[NH2+]Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000072712537 171342922 /nfs/dbraw/zinc/34/29/22/171342922.db2.gz UEFIPURUWYLSJT-QMMMGPOBSA-N 0 0 224.260 2.189 10 5 BEBERN CC[C@H](C)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1N ZINC000043670970 171367439 /nfs/dbraw/zinc/36/74/39/171367439.db2.gz HDNLKKMWJDGVFS-POYBYMJQSA-N 0 0 226.280 2.289 10 5 BEBERN COC[C@@H](C)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000052120746 174444423 /nfs/dbraw/zinc/44/44/23/174444423.db2.gz RNGRHLISMVTRAR-QMMMGPOBSA-N 0 0 242.250 2.428 10 5 BEBERN COc1c([N+](=O)[O-])ccc2c1CCC(=O)CC2 ZINC000095831223 174937307 /nfs/dbraw/zinc/93/73/07/174937307.db2.gz NLYLNTORHPILIG-UHFFFAOYSA-N 0 0 235.239 2.051 10 5 BEBERN COc1ccc(C[C@H](C)C(C)=O)cc1[N+](=O)[O-] ZINC000037947288 175116362 /nfs/dbraw/zinc/11/63/62/175116362.db2.gz DPXXWQYFIANQHK-QMMMGPOBSA-N 0 0 237.255 2.371 10 5 BEBERN COc1ccc([N+](=O)[O-])cc1Cn1cccc1 ZINC000104296893 175201032 /nfs/dbraw/zinc/20/10/32/175201032.db2.gz FDZJRYWCNULOJA-UHFFFAOYSA-N 0 0 232.239 2.453 10 5 BEBERN COc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000001512510 175396412 /nfs/dbraw/zinc/39/64/12/175396412.db2.gz DQGFFBDFHDXHCN-UHFFFAOYSA-N 0 0 210.214 2.213 10 5 BEBERN C[C@@H](O)[C@@H](C)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000087139198 175991717 /nfs/dbraw/zinc/99/17/17/175991717.db2.gz JEWORZQXRVBSNY-RNFRBKRXSA-N 0 0 245.662 2.396 10 5 BEBERN C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1N ZINC000052840731 176111233 /nfs/dbraw/zinc/11/12/33/176111233.db2.gz FVGADYGIFYQENO-MRVPVSSYSA-N 0 0 221.260 2.166 10 5 BEBERN C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)O ZINC000087138740 177005736 /nfs/dbraw/zinc/00/57/36/177005736.db2.gz MTQYCPMIROROJW-NKWVEPMBSA-N 0 0 245.662 2.396 10 5 BEBERN C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1C=O ZINC000033592607 177111739 /nfs/dbraw/zinc/11/17/39/177111739.db2.gz HLUBKVXZEDMPPE-VIFPVBQESA-N 0 0 234.255 2.396 10 5 BEBERN Cc1c(N)onc1-c1ccc([N+](=O)[O-])cc1 ZINC000036937218 177551918 /nfs/dbraw/zinc/55/19/18/177551918.db2.gz LDJSCSBGLGNWLW-UHFFFAOYSA-N 0 0 219.200 2.140 10 5 BEBERN COC(=O)c1ccc(-c2cnco2)c([N+](=O)[O-])c1 ZINC000223641059 487962569 /nfs/dbraw/zinc/96/25/69/487962569.db2.gz GSKGYJXSZDNKER-UHFFFAOYSA-N 0 0 248.194 2.036 10 5 BEBERN Cc1cc2[nH]c(=O)ccc2c(C)c1[N+](=O)[O-] ZINC000057348907 525580937 /nfs/dbraw/zinc/58/09/37/525580937.db2.gz INFHVZIIHYEFOL-UHFFFAOYSA-N 0 0 218.212 2.053 10 5 BEBERN CCCN(CCO)c1cccc(C)c1[N+](=O)[O-] ZINC000218857650 535336044 /nfs/dbraw/zinc/33/60/44/535336044.db2.gz OYCKSXDDWMANQD-UHFFFAOYSA-N 0 0 238.287 2.112 10 5 BEBERN COC1CC(Nc2cccc(C)c2[N+](=O)[O-])C1 ZINC000218900810 592191830 /nfs/dbraw/zinc/19/18/30/592191830.db2.gz RGVJWSXRNILXQN-UHFFFAOYSA-N 0 0 236.271 2.493 10 5 BEBERN C[C@@H](O)[C@@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000343798373 636776502 /nfs/dbraw/zinc/77/65/02/636776502.db2.gz VRPIDXQPYNMYGF-PHDIDXHHSA-N 0 0 246.213 2.054 10 5 BEBERN O=[N+]([O-])c1cccc2ncc(Cl)nc21 ZINC000255189641 643592827 /nfs/dbraw/zinc/59/28/27/643592827.db2.gz RFPLLQFUOAJFER-UHFFFAOYSA-N 0 0 209.592 2.191 10 5 BEBERN Cc1cc(N[C@H](C)[C@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000359952694 711959352 /nfs/dbraw/zinc/95/93/52/711959352.db2.gz PCSLDLSGWFBREO-SFYZADRCSA-N 0 0 242.250 2.224 10 5 BEBERN CSC1CC(Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000708246970 712184629 /nfs/dbraw/zinc/18/46/29/712184629.db2.gz DTCDHFIJFRVNGO-UHFFFAOYSA-N 0 0 239.300 2.296 10 5 BEBERN CCc1ccc(NC(C)=O)c([N+](=O)[O-])c1 ZINC000034768588 136208887 /nfs/dbraw/zinc/20/88/87/136208887.db2.gz NWTWUTIJZMUMRT-UHFFFAOYSA-N 0 0 208.217 2.116 10 5 BEBERN CCC(C)(CC)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000112827652 168310321 /nfs/dbraw/zinc/31/03/21/168310321.db2.gz FLUVUOQUQAVORZ-UHFFFAOYSA-N 0 0 240.259 2.496 10 5 BEBERN CC1(C)C[C@H](O)c2c1c(F)ccc2[N+](=O)[O-] ZINC000261508251 187330320 /nfs/dbraw/zinc/33/03/20/187330320.db2.gz QVVSLVRKYDDYHU-QMMMGPOBSA-N 0 0 225.219 2.449 10 5 BEBERN COc1cc(C=O)c([N+](=O)[O-])cc1OC(C)C ZINC000037226469 361756603 /nfs/dbraw/zinc/75/66/03/361756603.db2.gz CKBNMAMIEVOZPP-UHFFFAOYSA-N 0 0 239.227 2.203 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1O[C@H](C)[C@@H](C)O ZINC000159443086 178272167 /nfs/dbraw/zinc/27/21/67/178272167.db2.gz XIDSMRSIJWTLBN-RKDXNWHRSA-N 0 0 225.244 2.051 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1OCCCCCO ZINC000169000274 178272838 /nfs/dbraw/zinc/27/28/38/178272838.db2.gz ZPWSVISMDJJUGX-UHFFFAOYSA-N 0 0 239.271 2.445 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1NCc1cn[nH]c1 ZINC000038006653 178273078 /nfs/dbraw/zinc/27/30/78/178273078.db2.gz HJEKVDLJYWTAJP-UHFFFAOYSA-N 0 0 232.243 2.238 10 5 BEBERN CCO[C@@H]1C=Cc2cc([N+](=O)[O-])ccc2O1 ZINC000144551823 342745463 /nfs/dbraw/zinc/74/54/63/342745463.db2.gz RQHBDKAAJQYXAW-NSHDSACASA-N 0 0 221.212 2.363 10 5 BEBERN O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@H]2O)s1 ZINC000309626544 342760800 /nfs/dbraw/zinc/76/08/00/342760800.db2.gz JFXLDOXMOCSWCZ-HTQZYQBOSA-N 0 0 242.300 2.229 10 5 BEBERN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@@H]2O)s1 ZINC000309626557 342760833 /nfs/dbraw/zinc/76/08/33/342760833.db2.gz JFXLDOXMOCSWCZ-YUMQZZPRSA-N 0 0 242.300 2.229 10 5 BEBERN C=Cc1cc(-c2cnn(C)c2)ncc1[N+](=O)[O-] ZINC000147979160 342784630 /nfs/dbraw/zinc/78/46/30/342784630.db2.gz HCIIKEQMFJDYHD-UHFFFAOYSA-N 0 0 230.227 2.033 10 5 BEBERN CCNc1cc([N+](=O)[O-])cc(SC)n1 ZINC000233663291 342876410 /nfs/dbraw/zinc/87/64/10/342876410.db2.gz BICCXSAFBONJIG-UHFFFAOYSA-N 0 0 213.262 2.144 10 5 BEBERN CCOC(=O)Cc1cccc([N+](=O)[O-])c1Cl ZINC000309151684 342897632 /nfs/dbraw/zinc/89/76/32/342897632.db2.gz JCYIKDCTXXVYMI-UHFFFAOYSA-N 0 0 243.646 2.354 10 5 BEBERN O=[N+]([O-])c1cccc(-c2cn3ccncc3n2)c1 ZINC000134761084 342882381 /nfs/dbraw/zinc/88/23/81/342882381.db2.gz VKDYMXYGZWBHDO-UHFFFAOYSA-N 0 0 240.222 2.305 10 5 BEBERN C[C@H]1CC(c2ccncc2[N+](=O)[O-])=C[C@H](O)C1 ZINC000116907077 342939081 /nfs/dbraw/zinc/93/90/81/342939081.db2.gz ZNLXEBMYIFPFSB-WCBMZHEXSA-N 0 0 234.255 2.164 10 5 BEBERN Cc1cncc2c(Cl)c([N+](=O)[O-])cnc12 ZINC000584882291 343084623 /nfs/dbraw/zinc/08/46/23/343084623.db2.gz ZRWSNORNIKLHHY-UHFFFAOYSA-N 0 0 223.619 2.500 10 5 BEBERN O=[N+]([O-])c1cnc2nc(F)ccc2c1Cl ZINC000584882243 343084723 /nfs/dbraw/zinc/08/47/23/343084723.db2.gz WHKVWKYAWPPPEQ-UHFFFAOYSA-N 0 0 227.582 2.331 10 5 BEBERN CCn1ncc2c1ncc([N+](=O)[O-])c2Cl ZINC000165888253 343075973 /nfs/dbraw/zinc/07/59/73/343075973.db2.gz UKXXVHNHIRFRGO-UHFFFAOYSA-N 0 0 226.623 2.013 10 5 BEBERN O=C1SCCN1Cc1ccccc1[N+](=O)[O-] ZINC000000004548 187243966 /nfs/dbraw/zinc/24/39/66/187243966.db2.gz REJNNJJROLKACD-UHFFFAOYSA-N 0 0 238.268 2.264 10 5 BEBERN CC(C)COc1ccc(CO)cc1[N+](=O)[O-] ZINC000020468484 187254278 /nfs/dbraw/zinc/25/42/78/187254278.db2.gz NBNZYEIPZGAFLS-UHFFFAOYSA-N 0 0 225.244 2.122 10 5 BEBERN CC1(C)C[C@@H](O)c2c1c(F)ccc2[N+](=O)[O-] ZINC000261508250 343514341 /nfs/dbraw/zinc/51/43/41/343514341.db2.gz QVVSLVRKYDDYHU-MRVPVSSYSA-N 0 0 225.219 2.449 10 5 BEBERN O=[N+]([O-])c1ccc2[nH]c(C3CCOCC3)nc2c1 ZINC000310972332 343610094 /nfs/dbraw/zinc/61/00/94/343610094.db2.gz WCDHQPDILKZZJO-UHFFFAOYSA-N 0 0 247.254 2.365 10 5 BEBERN COC(=O)c1cccc(/C=C(\C)[N+](=O)[O-])c1 ZINC000059143668 343706266 /nfs/dbraw/zinc/70/62/66/343706266.db2.gz SIBQGZFJHNZQFH-SOFGYWHQSA-N 0 0 221.212 2.111 10 5 BEBERN C[C@@H]1CC(=O)c2cccc([N+](=O)[O-])c2C1 ZINC000145406823 537818039 /nfs/dbraw/zinc/81/80/39/537818039.db2.gz SEATUOABEKUPQP-ZETCQYMHSA-N 0 0 205.213 2.360 10 5 BEBERN CCOC(=O)Cc1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000088242476 344238418 /nfs/dbraw/zinc/23/84/18/344238418.db2.gz HRFZWXTZCIEYLI-UHFFFAOYSA-N 0 0 248.238 2.182 10 5 BEBERN COc1cnc2c(cccc2[N+](=O)[O-])c1 ZINC000142942041 344330275 /nfs/dbraw/zinc/33/02/75/344330275.db2.gz PCTFELFGMDQSGH-UHFFFAOYSA-N 0 0 204.185 2.152 10 5 BEBERN Cc1cc(N)cc([N+](=O)[O-])c1Br ZINC000098181335 187290475 /nfs/dbraw/zinc/29/04/75/187290475.db2.gz QXHLGNZUABQSAM-UHFFFAOYSA-N 0 0 231.049 2.248 10 5 BEBERN Cc1c([N+](=O)[O-])ncn1-c1ccc(F)cc1 ZINC000218018139 344432802 /nfs/dbraw/zinc/43/28/02/344432802.db2.gz HVNAGEJUCIXCFS-UHFFFAOYSA-N 0 0 221.191 2.228 10 5 BEBERN CC(=O)C[C@@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000145658698 344373059 /nfs/dbraw/zinc/37/30/59/344373059.db2.gz ZKXJSHYTVRWIKQ-JTQLQIEISA-N 0 0 225.219 2.165 10 5 BEBERN NC(=O)c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000247708925 344385326 /nfs/dbraw/zinc/38/53/26/344385326.db2.gz HGFAPLDTHADLBZ-UHFFFAOYSA-N 0 0 235.026 2.001 10 5 BEBERN O=[N+]([O-])c1ccc(C2N=NC(=S)S2)cc1 ZINC000030714589 344764237 /nfs/dbraw/zinc/76/42/37/344764237.db2.gz YJYUNJMROJTQFR-UHFFFAOYSA-N 0 0 239.281 2.402 10 5 BEBERN CSc1cc([N+](=O)[O-])cc(Cl)n1 ZINC000235082925 344774017 /nfs/dbraw/zinc/77/40/17/344774017.db2.gz GVMUGQRVBSWEAY-UHFFFAOYSA-N 0 0 204.638 2.365 10 5 BEBERN O=[N+]([O-])c1cccnc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000078371359 344855432 /nfs/dbraw/zinc/85/54/32/344855432.db2.gz HOPKQMWMAIVWFB-QWRGUYRKSA-N 0 0 245.282 2.392 10 5 BEBERN Cc1ccc(O[C@H](C)[C@H](C)O)c([N+](=O)[O-])c1 ZINC000087139159 178819131 /nfs/dbraw/zinc/81/91/31/178819131.db2.gz NIQYIOLEIPWERJ-DTWKUNHWSA-N 0 0 225.244 2.051 10 5 BEBERN C[C@H]1CN[C@H](c2ccc([N+](=O)[O-])s2)S1 ZINC000235686753 345164325 /nfs/dbraw/zinc/16/43/25/345164325.db2.gz PFLUGDBTMBTDNL-XNCJUZBTSA-N 0 0 230.314 2.380 10 5 BEBERN COc1ccc2nc3c(N)ccnc3cc2c1 ZINC000032254744 345760805 /nfs/dbraw/zinc/76/08/05/345760805.db2.gz QTXGFLKAYDICNN-UHFFFAOYSA-N 0 0 225.251 2.374 10 5 BEBERN O=[N+]([O-])c1ccc(OC(F)(F)F)nc1CF ZINC000390472651 346060579 /nfs/dbraw/zinc/06/05/79/346060579.db2.gz HTHDOKATGXEFFU-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN CCc1cc(OC)cc([N+](=O)[O-])c1OC ZINC000167144490 346204136 /nfs/dbraw/zinc/20/41/36/346204136.db2.gz XACFADGJCRZLRT-UHFFFAOYSA-N 0 0 211.217 2.174 10 5 BEBERN O=[N+]([O-])c1ccc(-c2cncnc2)cc1 ZINC000003175402 537957043 /nfs/dbraw/zinc/95/70/43/537957043.db2.gz FOXQDNXSWDVMTO-UHFFFAOYSA-N 0 0 201.185 2.052 10 5 BEBERN O=[N+]([O-])c1c[nH]cc(Br)c1=S ZINC000236607064 346256288 /nfs/dbraw/zinc/25/62/88/346256288.db2.gz AVOSXRNUHNYSEY-UHFFFAOYSA-N 0 0 235.062 2.041 10 5 BEBERN Cc1cccc(C(=O)N[C@@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000171056750 179022879 /nfs/dbraw/zinc/02/28/79/179022879.db2.gz MPQGTUNVEIEUAE-WCBMZHEXSA-N 0 0 234.255 2.041 10 5 BEBERN CCOC(=O)c1c[nH]c2c1cccc2[N+](=O)[O-] ZINC000167412562 346708317 /nfs/dbraw/zinc/70/83/17/346708317.db2.gz FHHCMFCKRCHHBO-UHFFFAOYSA-N 0 0 234.211 2.253 10 5 BEBERN Cc1ccnc(C(F)(F)F)c1[N+](=O)[O-] ZINC000616567834 347437345 /nfs/dbraw/zinc/43/73/45/347437345.db2.gz HGAYFEMOLVTART-UHFFFAOYSA-N 0 0 206.123 2.317 10 5 BEBERN Nc1cccc(-c2ccncc2[N+](=O)[O-])c1 ZINC000616568485 347446755 /nfs/dbraw/zinc/44/67/55/347446755.db2.gz AXVCJIIYZRAABI-UHFFFAOYSA-N 0 0 215.212 2.239 10 5 BEBERN Cc1ccccc1[C@@H]([C@@H](C)[N+](=O)[O-])n1cccn1 ZINC000252514056 179327575 /nfs/dbraw/zinc/32/75/75/179327575.db2.gz AZMCQWDHAIPSQE-DGCLKSJQSA-N 0 0 245.282 2.446 10 5 BEBERN O=Cc1ccc(-c2ccncc2[N+](=O)[O-])cc1 ZINC000616570428 348066193 /nfs/dbraw/zinc/06/61/93/348066193.db2.gz SBXGSTIWQPQPRZ-UHFFFAOYSA-N 0 0 228.207 2.469 10 5 BEBERN Cc1cccn2c3ccc(F)cc3c(=O)nc12 ZINC000032922265 179355325 /nfs/dbraw/zinc/35/53/25/179355325.db2.gz QTNYTTBASRXPOS-UHFFFAOYSA-N 0 0 228.226 2.295 10 5 BEBERN CCC[C@H]1C[C@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596144474 348450747 /nfs/dbraw/zinc/45/07/47/348450747.db2.gz GKYFYMGEFCRQII-IONNQARKSA-N 0 0 237.259 2.296 10 5 BEBERN CCC[C@H]1C[C@@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596144473 348451009 /nfs/dbraw/zinc/45/10/09/348451009.db2.gz GKYFYMGEFCRQII-CBAPKCEASA-N 0 0 237.259 2.296 10 5 BEBERN Cc1cnn([C@H](C)c2ccc([N+](=O)[O-])cc2)c1N ZINC000020578702 179747493 /nfs/dbraw/zinc/74/74/93/179747493.db2.gz APIQYTOEDLKWMX-SECBINFHSA-N 0 0 246.270 2.291 10 5 BEBERN CSc1sc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000159327081 350022786 /nfs/dbraw/zinc/02/27/86/350022786.db2.gz IZGJSCJPKBBABX-SCSAIBSYSA-N 0 0 219.287 2.432 10 5 BEBERN Cc1nc2[nH]cc([N+](=O)[O-])c2cc1Cl ZINC000042689449 180060733 /nfs/dbraw/zinc/06/07/33/180060733.db2.gz PIOSNIBFEHUCFW-UHFFFAOYSA-N 0 0 211.608 2.433 10 5 BEBERN Cc1nc2ccc([N+](=O)[O-])c(N)c2s1 ZINC000196490646 180097758 /nfs/dbraw/zinc/09/77/58/180097758.db2.gz LIVWKSOQCZPKEU-UHFFFAOYSA-N 0 0 209.230 2.095 10 5 BEBERN CC(C)CN1Cc2ccc([N+](=O)[O-])cc2C1=O ZINC000725266717 538097076 /nfs/dbraw/zinc/09/70/76/538097076.db2.gz ZOSWFWBPPGTWEK-UHFFFAOYSA-N 0 0 234.255 2.207 10 5 BEBERN Cc1cc([N+](=O)[O-])c(Cl)cc1CO ZINC000306706702 350854493 /nfs/dbraw/zinc/85/44/93/350854493.db2.gz QIKPFOLNZVZYRS-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN O=[N+]([O-])c1c(Br)cc[nH]c1=S ZINC000306823637 351129448 /nfs/dbraw/zinc/12/94/48/351129448.db2.gz RBPMFYZTPCFLFC-UHFFFAOYSA-N 0 0 235.062 2.041 10 5 BEBERN Cc1c(N)c(Br)ccc1[N+](=O)[O-] ZINC000306903194 351317777 /nfs/dbraw/zinc/31/77/77/351317777.db2.gz RPVBMEZDPFOFJY-UHFFFAOYSA-N 0 0 231.049 2.248 10 5 BEBERN Cc1c([N+](=O)[O-])ccc(Br)c1CO ZINC000306918492 351329687 /nfs/dbraw/zinc/32/96/87/351329687.db2.gz IHTPZYGFSVVUOZ-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN O=[N+]([O-])c1ccc(Cl)nc1N1CCCC1 ZINC000034974237 351369158 /nfs/dbraw/zinc/36/91/58/351369158.db2.gz PUYNFDDTQSKFJF-UHFFFAOYSA-N 0 0 227.651 2.243 10 5 BEBERN CC(=O)[C@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000034973013 351370567 /nfs/dbraw/zinc/37/05/67/351370567.db2.gz LXIRZQMZOGSLEX-GHMZBOCLSA-N 0 0 205.213 2.287 10 5 BEBERN C[C@@H](NO)c1cc([N+](=O)[O-])ccc1Cl ZINC000307065410 351462543 /nfs/dbraw/zinc/46/25/43/351462543.db2.gz RBDJHQMNPNSHON-RXMQYKEDSA-N 0 0 216.624 2.288 10 5 BEBERN Nc1cc(F)c([N+](=O)[O-])c(Br)c1 ZINC000307008293 351416737 /nfs/dbraw/zinc/41/67/37/351416737.db2.gz MFRRPLGSPTZIIO-UHFFFAOYSA-N 0 0 235.012 2.079 10 5 BEBERN Nc1ccc(F)c([N+](=O)[O-])c1Br ZINC000307113404 351485710 /nfs/dbraw/zinc/48/57/10/351485710.db2.gz RJAAJDJDXKSUHL-UHFFFAOYSA-N 0 0 235.012 2.079 10 5 BEBERN O=Cc1cc(F)cc([N+](=O)[O-])c1Br ZINC000307177288 351565343 /nfs/dbraw/zinc/56/53/43/351565343.db2.gz IASKBVXQHVDCPA-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN Cc1cc(Br)cc(C=O)c1[N+](=O)[O-] ZINC000307389838 352546843 /nfs/dbraw/zinc/54/68/43/352546843.db2.gz RIIVVEKVLOUUGP-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN COc1c([N+](=O)[O-])ccc2c1CCCC(=O)C2 ZINC000498035913 352568469 /nfs/dbraw/zinc/56/84/69/352568469.db2.gz ZDUBEVXJAJZYQB-UHFFFAOYSA-N 0 0 235.239 2.051 10 5 BEBERN O=Cc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC000307485956 352620736 /nfs/dbraw/zinc/62/07/36/352620736.db2.gz AOOUVFUUXFPADH-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN Cc1ccc(CO)c(Br)c1[N+](=O)[O-] ZINC000307654276 352741665 /nfs/dbraw/zinc/74/16/65/352741665.db2.gz QTDAIKWCPKPQQU-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN CC(C)(C)[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000283123747 187921636 /nfs/dbraw/zinc/92/16/36/187921636.db2.gz SRCHTSSDNYJJTD-LLVKDONJSA-N 0 0 239.271 2.381 10 5 BEBERN CNc1ncnc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000040595742 188292509 /nfs/dbraw/zinc/29/25/09/188292509.db2.gz JIKISKACRATYCP-UHFFFAOYSA-N 0 0 245.242 2.170 10 5 BEBERN C/C=C/CCNc1ccc([N+](=O)[O-])cn1 ZINC000123780646 188365191 /nfs/dbraw/zinc/36/51/91/188365191.db2.gz ZKRKLYFOOPARLT-NSCUHMNNSA-N 0 0 207.233 2.368 10 5 BEBERN O=[N+]([O-])c1cc(OC(F)(F)F)cnc1CF ZINC000390574634 355398059 /nfs/dbraw/zinc/39/80/59/355398059.db2.gz ODSCOQVKXMTGNO-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN COc1cccc(N[C@@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000129695560 355876746 /nfs/dbraw/zinc/87/67/46/355876746.db2.gz SHMUHLLBTQGKJF-VXNVDRBHSA-N 0 0 222.244 2.424 10 5 BEBERN CC[C@@]1([N+](=O)[O-])O[C@@H]1c1ccc(F)cc1 ZINC000213849444 363510093 /nfs/dbraw/zinc/51/00/93/363510093.db2.gz UXKZOICNUSNLME-NXEZZACHSA-N 0 0 211.192 2.280 10 5 BEBERN COC(=O)Cc1cc([N+](=O)[O-])c(F)cc1Cl ZINC000168665783 356991694 /nfs/dbraw/zinc/99/16/94/356991694.db2.gz LIBXBLRXMHMTPA-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN CCN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130051579 357162488 /nfs/dbraw/zinc/16/24/88/357162488.db2.gz NIVUAFGGYIMJIF-UHFFFAOYSA-N 0 0 247.254 2.168 10 5 BEBERN N[C@@H](c1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000035379686 357210525 /nfs/dbraw/zinc/21/05/25/357210525.db2.gz FAAISYSIKOEFLU-VIFPVBQESA-N 0 0 224.241 2.297 10 5 BEBERN CCOC(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000035333436 357186523 /nfs/dbraw/zinc/18/65/23/357186523.db2.gz DDEPFYWTCIJSBW-UHFFFAOYSA-N 0 0 227.191 2.219 10 5 BEBERN Cn1ccc(-c2ccc([N+](=O)[O-])c(F)c2)n1 ZINC000685946809 538888445 /nfs/dbraw/zinc/88/84/45/538888445.db2.gz NPUYFZGVQGTTFW-UHFFFAOYSA-N 0 0 221.191 2.134 10 5 BEBERN Cc1ccc2ccc(NN)c([N+](=O)[O-])c2c1 ZINC000685948752 538891682 /nfs/dbraw/zinc/89/16/82/538891682.db2.gz BBVIGSBMCOOTFA-UHFFFAOYSA-N 0 0 217.228 2.342 10 5 BEBERN Nc1cc(Cc2ccccc2)cc([N+](=O)[O-])c1N ZINC000584614362 358278839 /nfs/dbraw/zinc/27/88/39/358278839.db2.gz QRENMLCBGKELMG-UHFFFAOYSA-N 0 0 243.266 2.350 10 5 BEBERN C[C@H]1C[C@@H](C[N+](=O)[O-])c2ccccc2N1 ZINC000584608771 358269122 /nfs/dbraw/zinc/26/91/22/358269122.db2.gz FPZJGAUETRGITA-IUCAKERBSA-N 0 0 206.245 2.251 10 5 BEBERN O=[N+]([O-])/C=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000584620588 358287396 /nfs/dbraw/zinc/28/73/96/358287396.db2.gz VFFFXJUWOLGWCQ-PHQNLGIASA-N 0 0 220.184 2.398 10 5 BEBERN C=C=C[S@@](=O)c1ccccc1[N+](=O)[O-] ZINC000584656962 358308786 /nfs/dbraw/zinc/30/87/86/358308786.db2.gz XLQYFDBZGHIHIX-CQSZACIVSA-N 0 0 209.226 2.001 10 5 BEBERN C=C=C[S@](=O)c1ccccc1[N+](=O)[O-] ZINC000584656961 358308957 /nfs/dbraw/zinc/30/89/57/358308957.db2.gz XLQYFDBZGHIHIX-AWEZNQCLSA-N 0 0 209.226 2.001 10 5 BEBERN C[C@H](CF)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000584646699 358331825 /nfs/dbraw/zinc/33/18/25/358331825.db2.gz WSSMSZSPJRNMHG-ZCFIWIBFSA-N 0 0 217.171 2.471 10 5 BEBERN CC(C)Oc1cc(N)c([N+](=O)[O-])cc1F ZINC000584635920 358320157 /nfs/dbraw/zinc/32/01/57/358320157.db2.gz QYSMWEAEYCLVJX-UHFFFAOYSA-N 0 0 214.196 2.103 10 5 BEBERN Cc1nc2ccc3n[nH]c4ccc(n1)c2c34 ZINC000584639811 358325631 /nfs/dbraw/zinc/32/56/31/358325631.db2.gz UGQTXCBMIJLZBN-UHFFFAOYSA-N 0 0 208.224 2.406 10 5 BEBERN CC[C@@H]([C@@H](O)c1ccc(C)cc1)[N+](=O)[O-] ZINC000039294759 358962377 /nfs/dbraw/zinc/96/23/77/358962377.db2.gz LMBGBTDJYTYMSV-QWRGUYRKSA-N 0 0 209.245 2.084 10 5 BEBERN CN(C)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000306259022 359472921 /nfs/dbraw/zinc/47/29/21/359472921.db2.gz SSUKAFYXRZEIRI-UHFFFAOYSA-N 0 0 218.615 2.453 10 5 BEBERN CC(=O)c1cc([N+](=O)[O-])c(N2CCC2)s1 ZINC000306462443 360074079 /nfs/dbraw/zinc/07/40/79/360074079.db2.gz HLDFTNAIRWYGRQ-UHFFFAOYSA-N 0 0 226.257 2.069 10 5 BEBERN CC[C@H](C)n1cc(Cl)c([N+](=O)[O-])n1 ZINC000069760115 360407099 /nfs/dbraw/zinc/40/70/99/360407099.db2.gz KAEQERFTZYUOSE-YFKPBYRVSA-N 0 0 203.629 2.416 10 5 BEBERN Cc1c(Cl)ccc(CO)c1[N+](=O)[O-] ZINC000306602970 360529167 /nfs/dbraw/zinc/52/91/67/360529167.db2.gz LWXGOVCBSXUXIN-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN Nc1ncc(Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000036205247 360717382 /nfs/dbraw/zinc/71/73/82/360717382.db2.gz AXKCGSYWZUULOS-UHFFFAOYSA-N 0 0 235.268 2.224 10 5 BEBERN C[C@H](O)c1cccc([N+](=O)[O-])c1Br ZINC000238441235 361067754 /nfs/dbraw/zinc/06/77/54/361067754.db2.gz MXSDMMCLOITJKV-YFKPBYRVSA-N 0 0 246.060 2.411 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(OC(F)(F)F)n1 ZINC000238505060 361129787 /nfs/dbraw/zinc/12/97/87/361129787.db2.gz MDEXBUMBPOEFJL-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN O=[N+]([O-])c1nc(OC(F)(F)F)ccc1F ZINC000238533512 361143728 /nfs/dbraw/zinc/14/37/28/361143728.db2.gz GXXZFWXNCJEGGK-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1cnc2cnc(Cl)cc2c1 ZINC000238556427 361149806 /nfs/dbraw/zinc/14/98/06/361149806.db2.gz CZLNCZXCSNLHHW-UHFFFAOYSA-N 0 0 209.592 2.191 10 5 BEBERN O=[N+]([O-])c1ccc(Br)c(Cl)n1 ZINC000306617382 361172963 /nfs/dbraw/zinc/17/29/63/361172963.db2.gz QMGQPJXBDMZZJG-UHFFFAOYSA-N 0 0 237.440 2.406 10 5 BEBERN COc1cc([N+](=O)[O-])cc(C(F)(F)F)c1N ZINC000139088965 361566325 /nfs/dbraw/zinc/56/63/25/361566325.db2.gz FEJNKUBMIWNOOC-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN CC(C)Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000060164362 368336055 /nfs/dbraw/zinc/33/60/55/368336055.db2.gz WPQDXNWIGNCODE-UHFFFAOYSA-N 0 0 225.204 2.323 10 5 BEBERN O=[N+]([O-])c1ccc2cn(C(F)F)nc2c1 ZINC000224406985 368365976 /nfs/dbraw/zinc/36/59/76/368365976.db2.gz QGRTXBYBDGYNFY-UHFFFAOYSA-N 0 0 213.143 2.340 10 5 BEBERN CC1=C(C)[C@H](c2cccc([N+](=O)[O-])c2)[NH+]=C([O-])N1 ZINC000048523147 368377343 /nfs/dbraw/zinc/37/73/43/368377343.db2.gz VKLONZGQIJJNMX-LLVKDONJSA-N 0 0 247.254 2.243 10 5 BEBERN O=c1[nH]c2ccc3ncccc3c2n2cccc12 ZINC000039187242 368402673 /nfs/dbraw/zinc/40/26/73/368402673.db2.gz ULWLIFQLIYSGST-UHFFFAOYSA-N 0 0 235.246 2.329 10 5 BEBERN O=[N+]([O-])c1ccc2c(c1)CCC[C@H]1O[C@H]21 ZINC000019796293 371189827 /nfs/dbraw/zinc/18/98/27/371189827.db2.gz VSLPWKQDNQKZNQ-GHMZBOCLSA-N 0 0 205.213 2.371 10 5 BEBERN O=[N+]([O-])c1cnccc1NCc1ccco1 ZINC000020370165 371274779 /nfs/dbraw/zinc/27/47/79/371274779.db2.gz GOOOOSAGTYAWDR-UHFFFAOYSA-N 0 0 219.200 2.195 10 5 BEBERN N[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000072194825 181631622 /nfs/dbraw/zinc/63/16/22/181631622.db2.gz RXNATEYXVVXZPI-SSDOTTSWSA-N 0 0 220.150 2.157 10 5 BEBERN COC(=O)c1c(Cl)ccc([N+](=O)[O-])c1F ZINC000215586585 371589133 /nfs/dbraw/zinc/58/91/33/371589133.db2.gz OOOBLOKHCXHEMS-UHFFFAOYSA-N 0 0 233.582 2.174 10 5 BEBERN Cc1cc(CO)cc(Br)c1[N+](=O)[O-] ZINC000307104007 372086930 /nfs/dbraw/zinc/08/69/30/372086930.db2.gz HQULJVXWQKPBSS-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN CCCC[C@@H](C[N+](=O)[O-])C(=O)CCC ZINC000143671732 374239258 /nfs/dbraw/zinc/23/92/58/374239258.db2.gz IYZOQHXSZYSPJN-VIFPVBQESA-N 0 0 201.266 2.439 10 5 BEBERN O=Cc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC000261507426 182858416 /nfs/dbraw/zinc/85/84/16/182858416.db2.gz IKIBCVVUGNCJEZ-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN O=[N+]([O-])c1ccc(-c2ccc(CO)cc2)cn1 ZINC000079387201 182925884 /nfs/dbraw/zinc/92/58/84/182925884.db2.gz DKVLJLZYUHZDOY-UHFFFAOYSA-N 0 0 230.223 2.149 10 5 BEBERN O=[N+]([O-])c1ccnc(NCc2ccco2)c1 ZINC000043567588 182955064 /nfs/dbraw/zinc/95/50/64/182955064.db2.gz PNMSLHYLHYOVJP-UHFFFAOYSA-N 0 0 219.200 2.195 10 5 BEBERN O=[N+]([O-])c1cccc(CNc2cnns2)c1 ZINC000083363116 182945517 /nfs/dbraw/zinc/94/55/17/182945517.db2.gz YCOAMHFIKZRCSG-UHFFFAOYSA-N 0 0 236.256 2.058 10 5 BEBERN CCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000119803158 169250092 /nfs/dbraw/zinc/25/00/92/169250092.db2.gz NUQNYDBOKFNZCN-UHFFFAOYSA-N 0 0 247.254 2.216 10 5 BEBERN CCCNc1ccc(OC)c([N+](=O)[O-])c1 ZINC000041571580 169294869 /nfs/dbraw/zinc/29/48/69/169294869.db2.gz IJUIUMZWSOIALD-UHFFFAOYSA-N 0 0 210.233 2.425 10 5 BEBERN CCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000111769113 383879362 /nfs/dbraw/zinc/87/93/62/383879362.db2.gz VIEKHRIRFRWSBT-UHFFFAOYSA-N 0 0 236.271 2.385 10 5 BEBERN CCOc1c(O)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575657602 384390164 /nfs/dbraw/zinc/39/01/64/384390164.db2.gz KPFOCJYDYNDILO-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN Cc1cnc(N[C@@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000085426887 384520597 /nfs/dbraw/zinc/52/05/97/384520597.db2.gz SMUJKQYCGPVFTO-JGVFFNPUSA-N 0 0 207.233 2.119 10 5 BEBERN O=C(c1cc(F)ccc1[N+](=O)[O-])C(F)F ZINC000536950773 384804979 /nfs/dbraw/zinc/80/49/79/384804979.db2.gz TVKNSMKDYHHECA-UHFFFAOYSA-N 0 0 219.118 2.182 10 5 BEBERN COc1cc(N)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575729525 384917087 /nfs/dbraw/zinc/91/70/87/384917087.db2.gz MNRKWFFBLABKRJ-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN O=[N+]([O-])c1ccc(F)cc1NC[C@H]1CCCO1 ZINC000052119348 385697412 /nfs/dbraw/zinc/69/74/12/385697412.db2.gz CNLPWXXMTBFFKS-SECBINFHSA-N 0 0 240.234 2.325 10 5 BEBERN O=[N+]([O-])c1ccc(F)cc1NCc1cc[nH]n1 ZINC000052120158 385697502 /nfs/dbraw/zinc/69/75/02/385697502.db2.gz ZGYOGDVWUPGBSO-UHFFFAOYSA-N 0 0 236.206 2.069 10 5 BEBERN O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1CCCO1 ZINC000052119346 385698648 /nfs/dbraw/zinc/69/86/48/385698648.db2.gz CNLPWXXMTBFFKS-VIFPVBQESA-N 0 0 240.234 2.325 10 5 BEBERN O=[N+]([O-])c1cccnc1N1CC[C@H]2CCC[C@@H]21 ZINC000408362422 386272074 /nfs/dbraw/zinc/27/20/74/386272074.db2.gz ODWBWOFRJYHWLI-ZJUUUORDSA-N 0 0 233.271 2.369 10 5 BEBERN CCOC(=O)Cc1cc(C)cc(F)c1[N+](=O)[O-] ZINC000575397275 386998493 /nfs/dbraw/zinc/99/84/93/386998493.db2.gz NLWCIZGUWBJVOE-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(C)c1F ZINC000575397281 386998622 /nfs/dbraw/zinc/99/86/22/386998622.db2.gz RGVBPJMUEKHQPG-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOC(=O)Cc1c(C)cc([N+](=O)[O-])cc1C ZINC000575397159 386998871 /nfs/dbraw/zinc/99/88/71/386998871.db2.gz XVJRTUKVUDKFJG-UHFFFAOYSA-N 0 0 237.255 2.317 10 5 BEBERN CCc1cc(CO)c([N+](=O)[O-])cc1OC(F)F ZINC000575659456 387048273 /nfs/dbraw/zinc/04/82/73/387048273.db2.gz MVWGEBVJGNYKCV-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CCc1ccc([N+](=O)[O-])c(CO)c1OC(F)F ZINC000575660612 387050834 /nfs/dbraw/zinc/05/08/34/387050834.db2.gz ZDXRUFVNJHURMF-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN O=Cc1ccc([N+](=O)[O-])c(OC(F)F)c1F ZINC000575661048 387051143 /nfs/dbraw/zinc/05/11/43/387051143.db2.gz GYKOZNQTEFULCK-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN O=[N+]([O-])c1cc(O)c(OC(F)F)cc1F ZINC000575661034 387051228 /nfs/dbraw/zinc/05/12/28/387051228.db2.gz GIZBAIWCWHOONG-UHFFFAOYSA-N 0 0 223.106 2.041 10 5 BEBERN CCc1c(O)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575660110 387052928 /nfs/dbraw/zinc/05/29/28/387052928.db2.gz MMRSAJRBCDJNHJ-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN CCc1c(CO)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575660537 387053982 /nfs/dbraw/zinc/05/39/82/387053982.db2.gz YAEUUQATHRBSNA-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CCc1c(OC(F)F)ccc(CO)c1[N+](=O)[O-] ZINC000575660157 387054298 /nfs/dbraw/zinc/05/42/98/387054298.db2.gz TXQZNUOGALJRAY-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CCc1cc([N+](=O)[O-])cc(CO)c1OC(F)F ZINC000575660464 387054499 /nfs/dbraw/zinc/05/44/99/387054499.db2.gz WEZNTZXZMGXRHR-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN O=[N+]([O-])c1cc(OC(F)F)c(F)cc1[O-] ZINC000575661407 387059851 /nfs/dbraw/zinc/05/98/51/387059851.db2.gz OYTUXHBUJPYNLO-UHFFFAOYSA-N 0 0 223.106 2.041 10 5 BEBERN O=[N+]([O-])c1c(F)c(O)ccc1OC(F)F ZINC000575661603 387108272 /nfs/dbraw/zinc/10/82/72/387108272.db2.gz QFYVGTNVGVWFMR-UHFFFAOYSA-N 0 0 223.106 2.041 10 5 BEBERN COc1cc(F)cc([N+](=O)[O-])c1OC(F)F ZINC000575662001 387165528 /nfs/dbraw/zinc/16/55/28/387165528.db2.gz YXXRKHJUSAJPLJ-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN COc1ccc(OC(F)F)c(C=O)c1[N+](=O)[O-] ZINC000575665114 387313288 /nfs/dbraw/zinc/31/32/88/387313288.db2.gz OFRSOIYRGPHUNG-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN Cc1cc(C=O)c([N+](=O)[O-])cc1OC(F)F ZINC000575667287 387314948 /nfs/dbraw/zinc/31/49/48/387314948.db2.gz LTMVLWKJMNCYKX-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN CSc1nc2cccc([N+](=O)[O-])c2[nH]1 ZINC000089195072 387256979 /nfs/dbraw/zinc/25/69/79/387256979.db2.gz YCHQTCVWQLYWGN-UHFFFAOYSA-N 0 0 209.230 2.193 10 5 BEBERN CC(=O)c1cc([N+](=O)[O-])cc(O)c1OC(F)F ZINC000575663130 387270567 /nfs/dbraw/zinc/27/05/67/387270567.db2.gz QNCLQLAECGIHQQ-UHFFFAOYSA-N 0 0 247.153 2.104 10 5 BEBERN Cc1ccc(N[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000269940430 387291973 /nfs/dbraw/zinc/29/19/73/387291973.db2.gz OWGWBAVNVNQIMK-CMPLNLGQSA-N 0 0 236.271 2.229 10 5 BEBERN CCOC(=O)c1cc(OC)cc([N+](=O)[O-])c1C ZINC000575674570 387358559 /nfs/dbraw/zinc/35/85/59/387358559.db2.gz SABZLLYZLPUXAK-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN Cc1cc(C(N)=O)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575675991 387358600 /nfs/dbraw/zinc/35/86/00/387358600.db2.gz YQUXAAOBMMAIKA-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN COc1c(O)ccc(Br)c1[N+](=O)[O-] ZINC000575692197 387379683 /nfs/dbraw/zinc/37/96/83/387379683.db2.gz VJNAJHVIPAEOJZ-UHFFFAOYSA-N 0 0 248.032 2.072 10 5 BEBERN Cc1c(O)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575667535 387320537 /nfs/dbraw/zinc/32/05/37/387320537.db2.gz OVBKDFIPYVMUDH-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN CCOc1cc(C(F)F)c(CO)cc1[N+](=O)[O-] ZINC000575667569 387321101 /nfs/dbraw/zinc/32/11/01/387321101.db2.gz QJTUORKCRBQVKH-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN CCOc1cc(CO)cc([N+](=O)[O-])c1C(F)F ZINC000575667066 387321827 /nfs/dbraw/zinc/32/18/27/387321827.db2.gz OPKVRPZNBQCYER-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN Cc1cc(OC(F)F)c([N+](=O)[O-])cc1C=O ZINC000575668026 387323745 /nfs/dbraw/zinc/32/37/45/387323745.db2.gz PVRPIMGJEBADCS-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN Cc1c(O)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575668965 387325923 /nfs/dbraw/zinc/32/59/23/387325923.db2.gz WDDXRQCTMQRLGB-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN CC(=O)c1cc(C(F)F)c([N+](=O)[O-])cc1O ZINC000575669507 387329048 /nfs/dbraw/zinc/32/90/48/387329048.db2.gz YRQGNVNEILEMAH-UHFFFAOYSA-N 0 0 231.154 2.441 10 5 BEBERN O=[N+]([O-])c1cc(C(F)F)c(F)cc1CO ZINC000575669626 387329806 /nfs/dbraw/zinc/32/98/06/387329806.db2.gz GOKWHUVUGFSWAK-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN O=[N+]([O-])c1cc(C(F)F)cc(CO)c1F ZINC000575669903 387331509 /nfs/dbraw/zinc/33/15/09/387331509.db2.gz SBUGAGVJCZCFCB-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN COc1cc(C(F)F)c(CO)c([N+](=O)[O-])c1 ZINC000575672201 387337382 /nfs/dbraw/zinc/33/73/82/387337382.db2.gz SMDNHQCNYIVMCG-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN COc1c(C(F)F)ccc(C=O)c1[N+](=O)[O-] ZINC000575671746 387337658 /nfs/dbraw/zinc/33/76/58/387337658.db2.gz MCUMVEKASXZPQO-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN COc1cc(C=O)c([N+](=O)[O-])cc1C(F)F ZINC000575672304 387337766 /nfs/dbraw/zinc/33/77/66/387337766.db2.gz XSXLIBKXEYCWMF-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN COc1cc(C=O)cc([N+](=O)[O-])c1C(F)F ZINC000575672227 387338035 /nfs/dbraw/zinc/33/80/35/387338035.db2.gz UJGCZWBVECTZMY-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN COc1cc(C(F)F)c(CO)cc1[N+](=O)[O-] ZINC000575671723 387338522 /nfs/dbraw/zinc/33/85/22/387338522.db2.gz LNJLCWNZMYLPEQ-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN COc1c(C)cc([N+](=O)[O-])cc1C(C)=O ZINC000575673166 387339133 /nfs/dbraw/zinc/33/91/33/387339133.db2.gz DVQRZQYVVJEWJL-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN Cc1cc([N+](=O)[O-])c(C(N)=O)c(C(F)(F)F)c1 ZINC000575673068 387339332 /nfs/dbraw/zinc/33/93/32/387339332.db2.gz AFQUTUKMKYCMIX-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN CC(=O)c1cc(Cl)cc([N+](=O)[O-])c1N ZINC000575716077 387431569 /nfs/dbraw/zinc/43/15/69/387431569.db2.gz IPWXKNNJWQMWMP-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N ZINC000575716078 387431712 /nfs/dbraw/zinc/43/17/12/387431712.db2.gz IQGWFJNIGLLBRK-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN Cc1c(N)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575721019 387443205 /nfs/dbraw/zinc/44/32/05/387443205.db2.gz GTTXVEATWUQODX-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Nc1c(Cl)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575722043 387445239 /nfs/dbraw/zinc/44/52/39/387445239.db2.gz CQCAXZDUKATLJQ-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Nc1cc(Cl)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575722198 387445338 /nfs/dbraw/zinc/44/53/38/387445338.db2.gz HHXOFSDDMKTUKZ-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(CC)c1O ZINC000575697523 387391155 /nfs/dbraw/zinc/39/11/55/387391155.db2.gz XVOBLAAVRVVRFJ-UHFFFAOYSA-N 0 0 211.217 2.262 10 5 BEBERN CCOc1cc(CC)cc([N+](=O)[O-])c1C=O ZINC000575697472 387391492 /nfs/dbraw/zinc/39/14/92/387391492.db2.gz WVBUQHXWOUAROY-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CCOc1cc(OC)cc([N+](=O)[O-])c1OC ZINC000575697200 387394332 /nfs/dbraw/zinc/39/43/32/387394332.db2.gz ZIMSFOVELAGODK-UHFFFAOYSA-N 0 0 227.216 2.011 10 5 BEBERN CCc1c(OC)cc([N+](=O)[O-])cc1OC ZINC000575696204 387396259 /nfs/dbraw/zinc/39/62/59/387396259.db2.gz LPPGFGFQZCVWNX-UHFFFAOYSA-N 0 0 211.217 2.174 10 5 BEBERN CCOc1cc(OC)c([N+](=O)[O-])c(OC)c1 ZINC000575696796 387397170 /nfs/dbraw/zinc/39/71/70/387397170.db2.gz RQGZFVJPBYAAOJ-UHFFFAOYSA-N 0 0 227.216 2.011 10 5 BEBERN CCOc1cc(C)c(C=O)cc1[N+](=O)[O-] ZINC000575698982 387402260 /nfs/dbraw/zinc/40/22/60/387402260.db2.gz PMQHTGLSCCMOMX-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN CCOc1cc(C)cc([N+](=O)[O-])c1C=O ZINC000575699708 387403937 /nfs/dbraw/zinc/40/39/37/387403937.db2.gz WIULLFVDFHLNLE-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN CCOc1c(C=O)c(C)ccc1[N+](=O)[O-] ZINC000575699415 387404057 /nfs/dbraw/zinc/40/40/57/387404057.db2.gz WECHJPSUDPZUPQ-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN COC(=O)c1cc(Cl)cc(F)c1[N+](=O)[O-] ZINC000575712947 387416367 /nfs/dbraw/zinc/41/63/67/387416367.db2.gz RTZSYLZSXJFWJF-UHFFFAOYSA-N 0 0 233.582 2.174 10 5 BEBERN COc1cc(N)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575729597 387467459 /nfs/dbraw/zinc/46/74/59/387467459.db2.gz NZALEQKIQQUZOK-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1cc([N+](=O)[O-])cc(N)c1C(F)(F)F ZINC000575729740 387468000 /nfs/dbraw/zinc/46/80/00/387468000.db2.gz PFDMQCKVWPCDQU-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1cc(C=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575729689 387470250 /nfs/dbraw/zinc/47/02/50/387470250.db2.gz GSLGBHIOEHUQPM-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1c(C=O)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575730385 387471392 /nfs/dbraw/zinc/47/13/92/387471392.db2.gz VPUFDWHLINEFSJ-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1ccc(C=O)c([N+](=O)[O-])c1C(F)(F)F ZINC000575730744 387471878 /nfs/dbraw/zinc/47/18/78/387471878.db2.gz RDQWGFMDOCEQDK-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN CC[C@@H](Nc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000042590928 388100369 /nfs/dbraw/zinc/10/03/69/388100369.db2.gz ZVJWHFWSFNISMZ-MRVPVSSYSA-N 0 0 226.280 2.175 10 5 BEBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000076032865 388370156 /nfs/dbraw/zinc/37/01/56/388370156.db2.gz FFKQPYMNKOVKDP-WCBMZHEXSA-N 0 0 249.270 2.433 10 5 BEBERN Cn1c2ccccc2c(=O)c2ccc(N)cc21 ZINC000082291788 388587170 /nfs/dbraw/zinc/58/71/70/388587170.db2.gz JJDRYLJWRFTICA-UHFFFAOYSA-N 0 0 224.263 2.274 10 5 BEBERN C/C=C/CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000123784703 388735090 /nfs/dbraw/zinc/73/50/90/388735090.db2.gz QBSFUOUEJMTUAS-SNAWJCMRSA-N 0 0 224.264 2.015 10 5 BEBERN O=[N+]([O-])c1ccsc1NC[C@H]1CCC[C@H]1O ZINC000301928070 388711021 /nfs/dbraw/zinc/71/10/21/388711021.db2.gz INQNQRVXFNVLAF-VXNVDRBHSA-N 0 0 242.300 2.229 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H]1C ZINC000194568427 388820016 /nfs/dbraw/zinc/82/00/16/388820016.db2.gz FUYSESOJVSQVLQ-BDAKNGLRSA-N 0 0 234.255 2.041 10 5 BEBERN O=[N+]([O-])c1cnc(Cl)nc1N1CCCCC1 ZINC000004243391 132316420 /nfs/dbraw/zinc/31/64/20/132316420.db2.gz OPIJRMWHLGKACW-UHFFFAOYSA-N 0 0 242.666 2.029 10 5 BEBERN Cc1cccc(CNc2ncccc2[N+](=O)[O-])n1 ZINC000048346444 135461584 /nfs/dbraw/zinc/46/15/84/135461584.db2.gz DLZORRJANIWSOF-UHFFFAOYSA-N 0 0 244.254 2.305 10 5 BEBERN CN(C)c1c(F)c(F)cc(F)c1[N+](=O)[O-] ZINC000575449252 397936252 /nfs/dbraw/zinc/93/62/52/397936252.db2.gz SHXJPSPHQZKAOP-UHFFFAOYSA-N 0 0 220.150 2.078 10 5 BEBERN COc1cc([N+](=O)[O-])c(OC(F)F)cc1C=O ZINC000575664578 398062427 /nfs/dbraw/zinc/06/24/27/398062427.db2.gz IUTFGYRPYHNTCN-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN CC(C)OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000083228948 167161099 /nfs/dbraw/zinc/16/10/99/167161099.db2.gz OSMVNJWMFJLJHY-UHFFFAOYSA-N 0 0 223.228 2.089 10 5 BEBERN CCOC(=O)C[C@]1(C[N+](=O)[O-])CC[C@H](C)C1 ZINC000095347579 170234409 /nfs/dbraw/zinc/23/44/09/170234409.db2.gz RWQOCDVVKSXCMT-ONGXEEELSA-N 0 0 229.276 2.023 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(N)cc1CC ZINC000039099693 170528715 /nfs/dbraw/zinc/52/87/15/170528715.db2.gz JDWCTLPBBUXOSK-UHFFFAOYSA-N 0 0 210.233 2.138 10 5 BEBERN CC[C@](C)(CCO)Nc1ncc([N+](=O)[O-])s1 ZINC000193923140 171692268 /nfs/dbraw/zinc/69/22/68/171692268.db2.gz FFQIZWVRMZYVBZ-SECBINFHSA-N 0 0 245.304 2.014 10 5 BEBERN CN(C)/C=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000033363312 172351918 /nfs/dbraw/zinc/35/19/18/172351918.db2.gz MHIRUPHZSNZDCI-WAYWQWQTSA-N 0 0 237.215 2.035 10 5 BEBERN CN(C)/C=C\c1c(F)cccc1[N+](=O)[O-] ZINC000210811181 172352370 /nfs/dbraw/zinc/35/23/70/172352370.db2.gz OKUFRTYEXAOXQZ-SREVYHEPSA-N 0 0 210.208 2.266 10 5 BEBERN COc1nc2c(cccc2[N+](=O)[O-])s1 ZINC000049588501 175396797 /nfs/dbraw/zinc/39/67/97/175396797.db2.gz YYAMFYHEXYUPIX-UHFFFAOYSA-N 0 0 210.214 2.213 10 5 BEBERN C[C@@H](c1ccccc1)n1cc([N+](=O)[O-])cn1 ZINC000067799731 176024174 /nfs/dbraw/zinc/02/41/74/176024174.db2.gz CINRUYHUDGRQEK-VIFPVBQESA-N 0 0 217.228 2.401 10 5 BEBERN C[C@@H]1C[C@@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000075527784 176398767 /nfs/dbraw/zinc/39/87/67/176398767.db2.gz INIMJRGIUNMACQ-AVPHQYITSA-N 0 0 246.266 2.133 10 5 BEBERN C[C@@H]1C[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000075959385 176401333 /nfs/dbraw/zinc/40/13/33/176401333.db2.gz RSAXIGGEKHZMBK-XCBNKYQSSA-N 0 0 235.243 2.125 10 5 BEBERN C[C@H](Nc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000112255267 176931146 /nfs/dbraw/zinc/93/11/46/176931146.db2.gz ONNDAYPOOYBFBA-QMMMGPOBSA-N 0 0 238.291 2.319 10 5 BEBERN C[C@H](O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000253561880 177017463 /nfs/dbraw/zinc/01/74/63/177017463.db2.gz CPPDVTVMWSILAE-ZETCQYMHSA-N 0 0 222.244 2.222 10 5 BEBERN C[C@H](O)c1cccc([N+](=O)[O-])c1Cl ZINC000034733568 177018007 /nfs/dbraw/zinc/01/80/07/177018007.db2.gz VVADBPKLKRAERG-YFKPBYRVSA-N 0 0 201.609 2.302 10 5 BEBERN C[C@H]1C[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000151217025 177346243 /nfs/dbraw/zinc/34/62/43/177346243.db2.gz RGFLTKFDOLKXNV-CABZTGNLSA-N 0 0 248.282 2.052 10 5 BEBERN C[C@H]1C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000170793504 177384444 /nfs/dbraw/zinc/38/44/44/177384444.db2.gz ZLTGVKIRMYYIQG-OIBJUYFYSA-N 0 0 235.243 2.125 10 5 BEBERN CC[S@@](C)(=O)=Nc1cccc([N+](=O)[O-])c1 ZINC000536949629 323951601 /nfs/dbraw/zinc/95/16/01/323951601.db2.gz AYUZSWUSHHJELG-OAHLLOKOSA-N 0 0 228.273 2.344 10 5 BEBERN Nc1ccc(=O)c2nc3ccccc3[nH]c1-2 ZINC000106111656 490202479 /nfs/dbraw/zinc/20/24/79/490202479.db2.gz AINZOROADMAVLX-UHFFFAOYSA-N 0 0 211.224 2.071 10 5 BEBERN C[C@]1([N+](=O)[O-])O[C@@H]1c1c(F)cccc1F ZINC000334163785 525312768 /nfs/dbraw/zinc/31/27/68/525312768.db2.gz FRXSMOPXPMMEAQ-BDAKNGLRSA-N 0 0 215.155 2.029 10 5 BEBERN C[C@@]1([N+](=O)[O-])O[C@H]1c1c(F)cccc1F ZINC000334163786 525887906 /nfs/dbraw/zinc/88/79/06/525887906.db2.gz FRXSMOPXPMMEAQ-DTWKUNHWSA-N 0 0 215.155 2.029 10 5 BEBERN COCC1CC(Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000713929963 712473767 /nfs/dbraw/zinc/47/37/67/712473767.db2.gz FKDLPJTXWQJJPG-UHFFFAOYSA-N 0 0 236.271 2.432 10 5 BEBERN O=[N+]([O-])c1cnc(Sc2ccccc2O)nc1 ZINC000050047345 1171761399 /nfs/dbraw/zinc/76/13/99/1171761399.db2.gz MSORAFYEVOHFBE-UHFFFAOYSA-N 0 0 249.251 2.242 10 5 BEBERN Cc1cc(O[C@H](C)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000087138758 178214919 /nfs/dbraw/zinc/21/49/19/178214919.db2.gz CZHHCOHJUOTEMB-DTWKUNHWSA-N 0 0 225.244 2.051 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1NCC[C@@H](C)O ZINC000059538872 178272258 /nfs/dbraw/zinc/27/22/58/178272258.db2.gz FTUGDUCPLXGNLX-SECBINFHSA-N 0 0 224.260 2.086 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[C@H]1C ZINC000162832394 178272591 /nfs/dbraw/zinc/27/25/91/178272591.db2.gz LQXZBDWPJMXYOI-KCJUWKMLSA-N 0 0 249.270 2.433 10 5 BEBERN Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H]1C ZINC000052812923 178275255 /nfs/dbraw/zinc/27/52/55/178275255.db2.gz BURHXNKEFYVZLX-MUWHJKNJSA-N 0 0 207.233 2.119 10 5 BEBERN Cc1ccc(-c2coc(N)n2)cc1[N+](=O)[O-] ZINC000050266265 178330425 /nfs/dbraw/zinc/33/04/25/178330425.db2.gz MMDGUNSPKPOQMZ-UHFFFAOYSA-N 0 0 219.200 2.140 10 5 BEBERN CCOC(=O)Cc1cc([N+](=O)[O-])c(F)cc1C ZINC000144550531 342745061 /nfs/dbraw/zinc/74/50/61/342745061.db2.gz HRORJJPBJVDEMB-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN Cn1c(/C=C/c2ccccc2)ncc1[N+](=O)[O-] ZINC000005504269 342764908 /nfs/dbraw/zinc/76/49/08/342764908.db2.gz HGBWQGJWYQJSEA-BQYQJAHWSA-N 0 0 229.239 2.499 10 5 BEBERN Cc1cc(=O)n2ccc3ccccc3c2n1 ZINC000150132119 342797322 /nfs/dbraw/zinc/79/73/22/342797322.db2.gz KSGYKPOKRZTBRR-UHFFFAOYSA-N 0 0 210.236 2.156 10 5 BEBERN O=[N+]([O-])c1cnccc1NC1CCCC1 ZINC000020370184 342845910 /nfs/dbraw/zinc/84/59/10/342845910.db2.gz ZKCXLKMWXWKDMG-UHFFFAOYSA-N 0 0 207.233 2.344 10 5 BEBERN CCC[C@@H](NO)c1ccc([N+](=O)[O-])cc1 ZINC000308760788 342867566 /nfs/dbraw/zinc/86/75/66/342867566.db2.gz LGXDGURPDBXEFE-SNVBAGLBSA-N 0 0 210.233 2.415 10 5 BEBERN CC[C@H](NO)c1cc([N+](=O)[O-])ccc1F ZINC000308760795 342867597 /nfs/dbraw/zinc/86/75/97/342867597.db2.gz LJZAGUXUFATRDK-VIFPVBQESA-N 0 0 214.196 2.164 10 5 BEBERN CN(C)c1cccc(Cl)c1[N+](=O)[O-] ZINC000132709546 398321002 /nfs/dbraw/zinc/32/10/02/398321002.db2.gz ZYPPMNCNCUNHHF-UHFFFAOYSA-N 0 0 200.625 2.314 10 5 BEBERN CC(C)(C)[C@@H](O)CNc1sccc1[N+](=O)[O-] ZINC000301979221 398311951 /nfs/dbraw/zinc/31/19/51/398311951.db2.gz AGSIVHIJMZIXKF-QMMMGPOBSA-N 0 0 244.316 2.475 10 5 BEBERN O=[N+]([O-])c1ccc2c(c1)CCC[C@H]1O[C@@H]21 ZINC000016083233 342906027 /nfs/dbraw/zinc/90/60/27/342906027.db2.gz VSLPWKQDNQKZNQ-MNOVXSKESA-N 0 0 205.213 2.371 10 5 BEBERN O=[N+]([O-])c1ccccc1[C@H](NO)C(F)(F)F ZINC000309185165 342904388 /nfs/dbraw/zinc/90/43/88/342904388.db2.gz IIRDCXAKWRCMNC-ZETCQYMHSA-N 0 0 236.149 2.177 10 5 BEBERN COc1c(F)cc([N+](=O)[O-])c(F)c1F ZINC000144728814 342950961 /nfs/dbraw/zinc/95/09/61/342950961.db2.gz XZNKKAQGPFFMNQ-UHFFFAOYSA-N 0 0 207.107 2.021 10 5 BEBERN O=[N+]([O-])c1cccnc1OCc1ccco1 ZINC000043220385 343008135 /nfs/dbraw/zinc/00/81/35/343008135.db2.gz FVBLJCJCXRUSQZ-UHFFFAOYSA-N 0 0 220.184 2.162 10 5 BEBERN Cc1ncccc1-c1ccc([N+](=O)[O-])nc1 ZINC000584880569 343081208 /nfs/dbraw/zinc/08/12/08/343081208.db2.gz HDFLKRKMPQFALZ-UHFFFAOYSA-N 0 0 215.212 2.360 10 5 BEBERN O=Cc1ccccc1-c1ccc([N+](=O)[O-])nc1 ZINC000584880647 343081372 /nfs/dbraw/zinc/08/13/72/343081372.db2.gz KJWZAPKOHPPBAH-UHFFFAOYSA-N 0 0 228.207 2.469 10 5 BEBERN COc1cccc2[nH]cc(/C=C/[N+](=O)[O-])c21 ZINC000147973178 343386276 /nfs/dbraw/zinc/38/62/76/343386276.db2.gz LDNDHEQQVINAHV-AATRIKPKSA-N 0 0 218.212 2.424 10 5 BEBERN O=[N+]([O-])c1cc(Cl)nc(NCC2CC2)c1 ZINC000219960700 343470939 /nfs/dbraw/zinc/47/09/39/343470939.db2.gz POHUUDWXRZNINY-UHFFFAOYSA-N 0 0 227.651 2.465 10 5 BEBERN O=[N+]([O-])c1cc(F)c(F)c2cccnc21 ZINC000205626288 343637204 /nfs/dbraw/zinc/63/72/04/343637204.db2.gz MICROPWVTVYSSW-UHFFFAOYSA-N 0 0 210.139 2.421 10 5 BEBERN O=[N+]([O-])C[C@H](O)c1c(Cl)cccc1Cl ZINC000197225647 343643944 /nfs/dbraw/zinc/64/39/44/343643944.db2.gz BQMUAFFTRUGZRN-ZETCQYMHSA-N 0 0 236.054 2.304 10 5 BEBERN CC(C)(CO)Nc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000053163046 187271244 /nfs/dbraw/zinc/27/12/44/187271244.db2.gz CDRDLERYZSWQML-UHFFFAOYSA-N 0 0 246.213 2.056 10 5 BEBERN CN(C)c1c(Br)cccc1[N+](=O)[O-] ZINC000299890014 187354175 /nfs/dbraw/zinc/35/41/75/187354175.db2.gz SIDYUNYBAGEESS-UHFFFAOYSA-N 0 0 245.076 2.423 10 5 BEBERN O=[N+]([O-])c1cc(Cl)cc(CO)c1Cl ZINC000247333732 343960546 /nfs/dbraw/zinc/96/05/46/343960546.db2.gz PTHSHZAUZPSHOD-UHFFFAOYSA-N 0 0 222.027 2.394 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1NCC1CC(O)C1 ZINC000158682365 344721448 /nfs/dbraw/zinc/72/14/48/344721448.db2.gz MSBUSYXWLSGEBW-UHFFFAOYSA-N 0 0 236.271 2.086 10 5 BEBERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000231431632 344743080 /nfs/dbraw/zinc/74/30/80/344743080.db2.gz IYQYLEBJPVRXCW-UHFFFAOYSA-N 0 0 243.646 2.354 10 5 BEBERN CC(C)Oc1cc(C=O)ccc1[N+](=O)[O-] ZINC000050517605 344703514 /nfs/dbraw/zinc/70/35/14/344703514.db2.gz DZPGYRKQXMJARK-UHFFFAOYSA-N 0 0 209.201 2.195 10 5 BEBERN O=[N+]([O-])c1ccc(F)nc1OC(F)(F)F ZINC000238530579 345069130 /nfs/dbraw/zinc/06/91/30/345069130.db2.gz WDEHZLUVQJUNDJ-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1cccc2cnc(Cl)nc21 ZINC000238572266 345080570 /nfs/dbraw/zinc/08/05/70/345080570.db2.gz LIELOSZFIVAVMD-UHFFFAOYSA-N 0 0 209.592 2.191 10 5 BEBERN Cc1ccc([C@@H](C)n2nccc2N)cc1[N+](=O)[O-] ZINC000019689420 178852708 /nfs/dbraw/zinc/85/27/08/178852708.db2.gz DBUSXQFMHZHYRR-SECBINFHSA-N 0 0 246.270 2.291 10 5 BEBERN O=[N+]([O-])CCc1ccc(Cc2ccccc2)nc1 ZINC000113992843 345755895 /nfs/dbraw/zinc/75/58/95/345755895.db2.gz GEGDVJQNSVIBQQ-UHFFFAOYSA-N 0 0 242.278 2.492 10 5 BEBERN Cc1ccc([C@H](O)c2ccccn2)cc1[N+](=O)[O-] ZINC000238853162 178916419 /nfs/dbraw/zinc/91/64/19/178916419.db2.gz ILXSRURNFJJCEA-ZDUSSCGKSA-N 0 0 244.250 2.380 10 5 BEBERN O=[N+]([O-])c1ccc(-c2cncnc2)s1 ZINC000307669631 345888026 /nfs/dbraw/zinc/88/80/26/345888026.db2.gz NVKPPZPNOYWCDZ-UHFFFAOYSA-N 0 0 207.214 2.113 10 5 BEBERN O=[N+]([O-])c1cnc(CF)cc1OC(F)(F)F ZINC000390541153 346104184 /nfs/dbraw/zinc/10/41/84/346104184.db2.gz RDFCGCDVLCCWHR-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN CCC[C@H](O)Cc1ccc([N+](=O)[O-])cc1 ZINC000062139914 346207025 /nfs/dbraw/zinc/20/70/25/346207025.db2.gz WOWWSMQSYOFKGQ-NSHDSACASA-N 0 0 209.245 2.298 10 5 BEBERN Cc1c(Br)c(=S)[nH]cc1[N+](=O)[O-] ZINC000167044013 346185899 /nfs/dbraw/zinc/18/58/99/346185899.db2.gz JCZAMLQNAMUDKK-UHFFFAOYSA-N 0 0 249.089 2.349 10 5 BEBERN Cc1cn(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000034438885 346282209 /nfs/dbraw/zinc/28/22/09/346282209.db2.gz AZWQZQUHDKKSJV-UHFFFAOYSA-N 0 0 203.201 2.089 10 5 BEBERN O=C(Nc1ccccc1[N+](=O)[O-])c1cscn1 ZINC000062661143 346419879 /nfs/dbraw/zinc/41/98/79/346419879.db2.gz VMVDGKJLYOYPHR-UHFFFAOYSA-N 0 0 249.251 2.304 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCO[C@@H]1C ZINC000134267086 179206949 /nfs/dbraw/zinc/20/69/49/179206949.db2.gz PPLKDUTYKCTVBG-NXEZZACHSA-N 0 0 236.271 2.493 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1NC[C@H](O)C(C)C ZINC000125141634 179207013 /nfs/dbraw/zinc/20/70/13/179207013.db2.gz XMXRFKBUTAWDDS-NSHDSACASA-N 0 0 238.287 2.332 10 5 BEBERN N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000259594917 537989414 /nfs/dbraw/zinc/98/94/14/537989414.db2.gz PPULQZLSXMYPJL-MRVPVSSYSA-N 0 0 234.177 2.027 10 5 BEBERN CC(C)(C=O)[C@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000200406786 347810043 /nfs/dbraw/zinc/81/00/43/347810043.db2.gz MWFRTDKSCQDPPO-LLVKDONJSA-N 0 0 239.246 2.411 10 5 BEBERN O=[N+]([O-])c1ccc(-n2nc3ccccc3n2)cc1 ZINC000196167783 347815808 /nfs/dbraw/zinc/81/58/08/347815808.db2.gz BHIIVBRJQQTUJR-UHFFFAOYSA-N 0 0 240.222 2.329 10 5 BEBERN Nc1oc2ccc3ccccc3c2c(=O)c1C=O ZINC000196165093 347816083 /nfs/dbraw/zinc/81/60/83/347816083.db2.gz NAOXPGYWTYQLHK-UHFFFAOYSA-N 0 0 239.230 2.341 10 5 BEBERN Cc1nc2cc(Cl)cc([N+](=O)[O-])c2[nH]1 ZINC000005479012 180067229 /nfs/dbraw/zinc/06/72/29/180067229.db2.gz BNHKPVGQHVBRMX-UHFFFAOYSA-N 0 0 211.608 2.433 10 5 BEBERN O=[N+]([O-])c1cccc(Cl)c1[N+](=O)[O-] ZINC000005784403 350594529 /nfs/dbraw/zinc/59/45/29/350594529.db2.gz KYDXWCHDUCDNGR-UHFFFAOYSA-N 0 0 202.553 2.156 10 5 BEBERN CCCCN1Cc2c(cccc2[N+](=O)[O-])C1=O ZINC000725266705 538096849 /nfs/dbraw/zinc/09/68/49/538096849.db2.gz RGHIGLQTTVZDCY-UHFFFAOYSA-N 0 0 234.255 2.351 10 5 BEBERN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2CO)c(Cl)c1 ZINC000309519543 350695763 /nfs/dbraw/zinc/69/57/63/350695763.db2.gz BALNURXSGGTEBB-QUBYGPBYSA-N 0 0 242.662 2.041 10 5 BEBERN O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCC[C@@H]1O ZINC000302667348 191120477 /nfs/dbraw/zinc/12/04/77/191120477.db2.gz MTZJKXDXSRQIKC-SCZZXKLOSA-N 0 0 240.234 2.059 10 5 BEBERN O=[N+]([O-])c1cc(CO)cc(Cl)c1Cl ZINC000306903556 351318393 /nfs/dbraw/zinc/31/83/93/351318393.db2.gz SLMNASZHRSCVQR-UHFFFAOYSA-N 0 0 222.027 2.394 10 5 BEBERN Cc1cc(CO)c(Cl)cc1[N+](=O)[O-] ZINC000306878918 351272773 /nfs/dbraw/zinc/27/27/73/351272773.db2.gz DJAGTSFYLHZANX-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN CC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000034973022 351370748 /nfs/dbraw/zinc/37/07/48/351370748.db2.gz MFFUGAWBBYNWFJ-QWRGUYRKSA-N 0 0 205.213 2.287 10 5 BEBERN Cc1cc(F)c(Br)c([N+](=O)[O-])c1N ZINC000232101157 351786477 /nfs/dbraw/zinc/78/64/77/351786477.db2.gz JKQWGMJSCOMKPS-UHFFFAOYSA-N 0 0 249.039 2.387 10 5 BEBERN O=[N+]([O-])c1c[nH]c2cncc(Br)c21 ZINC000044713232 352384251 /nfs/dbraw/zinc/38/42/51/352384251.db2.gz RXSJPMOOPVUHFY-UHFFFAOYSA-N 0 0 242.032 2.234 10 5 BEBERN O=C(c1cc([N+](=O)[O-])ccc1F)C(F)F ZINC000536950902 323955087 /nfs/dbraw/zinc/95/50/87/323955087.db2.gz VFWNGGUJJIDRMT-UHFFFAOYSA-N 0 0 219.118 2.182 10 5 BEBERN O=[N+]([O-])c1cccc(Nc2cn[nH]c2)c1 ZINC000536950727 323955231 /nfs/dbraw/zinc/95/52/31/323955231.db2.gz SCRYQHPRQFRFMS-UHFFFAOYSA-N 0 0 204.189 2.062 10 5 BEBERN CC(C)(C)Oc1ccc([N+](=O)[O-])cc1N ZINC000033425740 188011082 /nfs/dbraw/zinc/01/10/82/188011082.db2.gz NQYCQHFDLXAHQM-UHFFFAOYSA-N 0 0 210.233 2.354 10 5 BEBERN CC(=O)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000037947251 188289318 /nfs/dbraw/zinc/28/93/18/188289318.db2.gz FYBUTKJHAJQBGJ-QMMMGPOBSA-N 0 0 207.229 2.362 10 5 BEBERN C[C@@H](O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000035631065 358009130 /nfs/dbraw/zinc/00/91/30/358009130.db2.gz AJAQABBFWXSJBE-SECBINFHSA-N 0 0 236.271 2.248 10 5 BEBERN Cc1nc(-c2ccccc2)c([N+](=O)[O-])n1C ZINC000584614331 358278700 /nfs/dbraw/zinc/27/87/00/358278700.db2.gz CAMPXVMRVMYXEJ-UHFFFAOYSA-N 0 0 217.228 2.304 10 5 BEBERN NC(=O)c1cnc2c(ccc3ccccc32)c1 ZINC000584597895 358255748 /nfs/dbraw/zinc/25/57/48/358255748.db2.gz XTIRJBQCEOMYJP-UHFFFAOYSA-N 0 0 222.247 2.487 10 5 BEBERN CC(=O)O/C=C/c1cccc([N+](=O)[O-])c1 ZINC000584609784 358271743 /nfs/dbraw/zinc/27/17/43/358271743.db2.gz UOINPBWHOAVCHS-AATRIKPKSA-N 0 0 207.185 2.129 10 5 BEBERN CC(=O)O[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000584610327 358273182 /nfs/dbraw/zinc/27/31/82/358273182.db2.gz PEBQGVLTTRSHAF-JTQLQIEISA-N 0 0 243.646 2.221 10 5 BEBERN CC(C)C[C@@H](C[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000584610882 358274219 /nfs/dbraw/zinc/27/42/19/358274219.db2.gz WXZGCMDSWRUMOB-VIFPVBQESA-N 0 0 246.307 2.203 10 5 BEBERN C[N@+]1([O-])CCC2=C(Cc3ccccc32)C1 ZINC000584618735 358284824 /nfs/dbraw/zinc/28/48/24/358284824.db2.gz UUKLGWZSQLGLMP-AWEZNQCLSA-N 0 0 201.269 2.344 10 5 BEBERN CCCCC[C@@H](CC(C)=O)C[N+](=O)[O-] ZINC000584634504 358318328 /nfs/dbraw/zinc/31/83/28/358318328.db2.gz IWZYULBRKPABSJ-JTQLQIEISA-N 0 0 201.266 2.439 10 5 BEBERN O=[N+]([O-])c1cc(F)cc(NCCF)c1 ZINC000306148335 358758925 /nfs/dbraw/zinc/75/89/25/358758925.db2.gz AXZRHRNUZCBTNV-UHFFFAOYSA-N 0 0 202.160 2.115 10 5 BEBERN CC(=O)n1ncc2c1cc(Cl)cc2[N+](=O)[O-] ZINC000169190499 359701055 /nfs/dbraw/zinc/70/10/55/359701055.db2.gz FTQKRZBVCIBWSI-UHFFFAOYSA-N 0 0 239.618 2.258 10 5 BEBERN CC(C)Sc1nccc(N)c1[N+](=O)[O-] ZINC000306499574 360240171 /nfs/dbraw/zinc/24/01/71/360240171.db2.gz JXIHZLUELXPHOV-UHFFFAOYSA-N 0 0 213.262 2.073 10 5 BEBERN O=[N+]([O-])c1c(F)ccc(F)c1OCF ZINC000306546189 360416074 /nfs/dbraw/zinc/41/60/74/360416074.db2.gz BJXCTDRMVBBPKB-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN CONc1ccc(Cl)cc1[N+](=O)[O-] ZINC000306608757 360560761 /nfs/dbraw/zinc/56/07/61/360560761.db2.gz XAFLVDSBLDVTLG-UHFFFAOYSA-N 0 0 202.597 2.222 10 5 BEBERN O=[N+]([O-])c1cnc2[nH]ccc2c1Br ZINC000238050990 360542678 /nfs/dbraw/zinc/54/26/78/360542678.db2.gz OXTRMDWXNLOCKW-UHFFFAOYSA-N 0 0 242.032 2.234 10 5 BEBERN Cc1ccc(OC(F)(F)F)c([N+](=O)[O-])n1 ZINC000238463075 361086545 /nfs/dbraw/zinc/08/65/45/361086545.db2.gz GMEYVZLSZROZNX-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN O=[N+]([O-])c1cc(OC(F)(F)F)cnc1F ZINC000238598582 361162538 /nfs/dbraw/zinc/16/25/38/361162538.db2.gz NETZHPFXTSEDKI-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1ccnc(OC(F)(F)F)c1F ZINC000238566051 361153516 /nfs/dbraw/zinc/15/35/16/361153516.db2.gz XMWMVNVWWDXYCS-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1c(F)cncc1OC(F)(F)F ZINC000238586110 361158429 /nfs/dbraw/zinc/15/84/29/361158429.db2.gz RSSNRQKSNKDJLO-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1ccnc(F)c1OC(F)(F)F ZINC000238601282 361163514 /nfs/dbraw/zinc/16/35/14/361163514.db2.gz IPXLLAKFYGEXMN-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1cc(OC(F)(F)F)cc(F)n1 ZINC000238611912 361165697 /nfs/dbraw/zinc/16/56/97/361165697.db2.gz PWTXZVXZBBTJCF-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN CC[C@H](O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000107727568 368513664 /nfs/dbraw/zinc/51/36/64/368513664.db2.gz JEOFYJJLTBRWFE-VIFPVBQESA-N 0 0 241.243 2.055 10 5 BEBERN C[C@@H]1C[C@@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081589853 370901550 /nfs/dbraw/zinc/90/15/50/370901550.db2.gz MINMPMAVEUOACK-HQJQHLMTSA-N 0 0 244.254 2.358 10 5 BEBERN O=c1c2cccc(O)c2oc2cc(O)cc(O)c21 ZINC000006567315 368863291 /nfs/dbraw/zinc/86/32/91/368863291.db2.gz XESIWQIMUSNPRO-UHFFFAOYSA-N 0 0 244.202 2.063 10 5 biogenic,in-vitro BEBERN O=[N+]([O-])c1cccnc1Oc1cccc(CO)c1 ZINC000020457176 371283115 /nfs/dbraw/zinc/28/31/15/371283115.db2.gz VQHABCBRGNXUAW-UHFFFAOYSA-N 0 0 246.222 2.274 10 5 BEBERN Nc1ccc([N+](=O)[O-])cc1OC1CCCC1 ZINC000021994083 371510193 /nfs/dbraw/zinc/51/01/93/371510193.db2.gz GUGHHFNUDKQALU-UHFFFAOYSA-N 0 0 222.244 2.498 10 5 BEBERN Nc1ccccc1OCc1ccc([N+](=O)[O-])o1 ZINC000038055987 181756882 /nfs/dbraw/zinc/75/68/82/181756882.db2.gz JGNGZKULZMUPNY-UHFFFAOYSA-N 0 0 234.211 2.349 10 5 BEBERN Cc1cnc([C@H](C)Nc2cccnc2[N+](=O)[O-])o1 ZINC000226547751 371693722 /nfs/dbraw/zinc/69/37/22/371693722.db2.gz GTGLVYXYWGBMRI-QMMMGPOBSA-N 0 0 248.242 2.459 10 5 BEBERN Cc1cc(N)c([N+](=O)[O-])cc1OC(F)F ZINC000059306438 372163246 /nfs/dbraw/zinc/16/32/46/372163246.db2.gz MIERSAZUXWELCH-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN CC(=O)Nc1cc(C)c(F)cc1[N+](=O)[O-] ZINC000039641958 373017081 /nfs/dbraw/zinc/01/70/81/373017081.db2.gz QMOVULUJDPXGHV-UHFFFAOYSA-N 0 0 212.180 2.001 10 5 BEBERN O=C1CCSc2ccc([N+](=O)[O-])cc21 ZINC000059194142 182745890 /nfs/dbraw/zinc/74/58/90/182745890.db2.gz LTIWZGCRKUPJMM-UHFFFAOYSA-N 0 0 209.226 2.273 10 5 BEBERN O=[N+]([O-])c1ccc(NCc2cncnc2)c(F)c1 ZINC000054768153 182936324 /nfs/dbraw/zinc/93/63/24/182936324.db2.gz WXDYFEVCFYROHM-UHFFFAOYSA-N 0 0 248.217 2.136 10 5 BEBERN O=[N+]([O-])c1ccc(-c2nnc(-c3ccco3)o2)o1 ZINC000003160246 182927246 /nfs/dbraw/zinc/92/72/46/182927246.db2.gz NXURTMOIGFCPJU-UHFFFAOYSA-N 0 0 247.166 2.498 10 5 BEBERN O=[N+]([O-])c1ccccc1OCCCCCO ZINC000051020441 182952016 /nfs/dbraw/zinc/95/20/16/182952016.db2.gz MBOZVGFFOWIONQ-UHFFFAOYSA-N 0 0 225.244 2.136 10 5 BEBERN CCCNc1ncnc(NC(C)C)c1[N+](=O)[O-] ZINC000040596671 169297155 /nfs/dbraw/zinc/29/71/55/169297155.db2.gz IFQNVFPDKMLKEW-UHFFFAOYSA-N 0 0 239.279 2.027 10 5 BEBERN CCC[C@@H]1C[C@@H]1Nc1c([N+](=O)[O-])c(C)nn1C ZINC000231663407 169434948 /nfs/dbraw/zinc/43/49/48/169434948.db2.gz IZHLGBLFVLQCQD-BDAKNGLRSA-N 0 0 238.291 2.237 10 5 BEBERN C[C@]1(Nc2ncc([N+](=O)[O-])s2)CCCOC1 ZINC000309381902 383998420 /nfs/dbraw/zinc/99/84/20/383998420.db2.gz DKCDKONNRTVJMQ-VIFPVBQESA-N 0 0 243.288 2.032 10 5 BEBERN COC(=O)c1cc2c(cccc2[N+](=O)[O-])o1 ZINC000259961202 384068532 /nfs/dbraw/zinc/06/85/32/384068532.db2.gz COIJXHJRVZLFJE-UHFFFAOYSA-N 0 0 221.168 2.128 10 5 BEBERN Cc1ccnc(N[C@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000070062797 384216566 /nfs/dbraw/zinc/21/65/66/384216566.db2.gz TZEYEVCUEVZBNX-SFYZADRCSA-N 0 0 207.233 2.119 10 5 BEBERN Cc1sc(C(=O)N[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000075516858 384327258 /nfs/dbraw/zinc/32/72/58/384327258.db2.gz VRUHXTAAICZKTF-CAHLUQPWSA-N 0 0 240.284 2.103 10 5 BEBERN O=[N+]([O-])c1cc(F)c(CO)cc1C(F)F ZINC000575669616 384454722 /nfs/dbraw/zinc/45/47/22/384454722.db2.gz FYHLJQHHQJIURL-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN CC[S@@](C)(=O)=Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000536951252 384803428 /nfs/dbraw/zinc/80/34/28/384803428.db2.gz OTIGNMPZHUABLN-MRXNPFEDSA-N 0 0 246.263 2.483 10 5 BEBERN Nc1cc(OC(F)F)c(Cl)c([N+](=O)[O-])c1 ZINC000575722847 384898619 /nfs/dbraw/zinc/89/86/19/384898619.db2.gz VBHWPHPFLBILQF-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Cc1ccnc(N2CC[C@@](C)(F)C2)c1[N+](=O)[O-] ZINC000408048534 385184779 /nfs/dbraw/zinc/18/47/79/385184779.db2.gz NJGSLMLRPUNBLI-LLVKDONJSA-N 0 0 239.250 2.237 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(N2CC[C@](C)(F)C2)n1 ZINC000408049354 385179153 /nfs/dbraw/zinc/17/91/53/385179153.db2.gz YIURCSRGHCUXII-NSHDSACASA-N 0 0 239.250 2.237 10 5 BEBERN O=[N+]([O-])c1ccc(CO)cc1NC1CC=CC1 ZINC000302077457 385319091 /nfs/dbraw/zinc/31/90/91/385319091.db2.gz YWCSUOBBTHPFAR-UHFFFAOYSA-N 0 0 234.255 2.218 10 5 BEBERN O=[N+]([O-])c1cnccc1-c1ccncc1 ZINC000015781685 385341370 /nfs/dbraw/zinc/34/13/70/385341370.db2.gz ZUGIVRRLWFZKLA-UHFFFAOYSA-N 0 0 201.185 2.052 10 5 BEBERN C[C@@H]1OCC[C@@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000149970567 385535318 /nfs/dbraw/zinc/53/53/18/385535318.db2.gz UYOIQCGENFOZJL-CBAPKCEASA-N 0 0 240.234 2.323 10 5 BEBERN CCOC(=O)Cc1cc(C)c([N+](=O)[O-])c(C)c1 ZINC000259899665 385591190 /nfs/dbraw/zinc/59/11/90/385591190.db2.gz DXHOJIDIPXTKHD-UHFFFAOYSA-N 0 0 237.255 2.317 10 5 BEBERN C[C@@H](CF)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000584646698 385713812 /nfs/dbraw/zinc/71/38/12/385713812.db2.gz WSSMSZSPJRNMHG-LURJTMIESA-N 0 0 217.171 2.471 10 5 BEBERN Cc1cc(-c2ccc([N+](=O)[O-])s2)nc(N)n1 ZINC000095935478 385729349 /nfs/dbraw/zinc/72/93/49/385729349.db2.gz IUYDSHULUSFREJ-UHFFFAOYSA-N 0 0 236.256 2.004 10 5 BEBERN CCC[C@H]1C[C@H]1Nc1c([N+](=O)[O-])c(C)nn1C ZINC000231663419 385760387 /nfs/dbraw/zinc/76/03/87/385760387.db2.gz IZHLGBLFVLQCQD-DTWKUNHWSA-N 0 0 238.291 2.237 10 5 BEBERN CC(C)(C=O)[C@@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000214807493 386030719 /nfs/dbraw/zinc/03/07/19/386030719.db2.gz MWFRTDKSCQDPPO-NSHDSACASA-N 0 0 239.246 2.411 10 5 BEBERN CCC1=Cc2cc([N+](=O)[O-])cc(C)c2O[C@@H]1O ZINC000211674183 386198169 /nfs/dbraw/zinc/19/81/69/386198169.db2.gz ARPXNEDEUSGZDW-LBPRGKRZSA-N 0 0 235.239 2.407 10 5 BEBERN O=[N+]([O-])c1cc[n+]([O-])c2cccc(Cl)c12 ZINC000005844079 386286267 /nfs/dbraw/zinc/28/62/67/386286267.db2.gz AJDCCZAGSXCPDP-UHFFFAOYSA-N 0 0 224.603 2.035 10 5 BEBERN O=[N+]([O-])c1cccnc1N1CC[C@@H]2CCC[C@H]21 ZINC000408362421 386272481 /nfs/dbraw/zinc/27/24/81/386272481.db2.gz ODWBWOFRJYHWLI-VHSXEESVSA-N 0 0 233.271 2.369 10 5 BEBERN CCOC(=O)Cc1ccc(C)c(C)c1[N+](=O)[O-] ZINC000575397153 386997997 /nfs/dbraw/zinc/99/79/97/386997997.db2.gz KPOUPYIJURTQGS-UHFFFAOYSA-N 0 0 237.255 2.317 10 5 BEBERN CCOC(=O)Cc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000575397150 386998159 /nfs/dbraw/zinc/99/81/59/386998159.db2.gz HKEHJDGCHIKIGT-UHFFFAOYSA-N 0 0 237.255 2.317 10 5 BEBERN CCc1cc(CO)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575657639 387042210 /nfs/dbraw/zinc/04/22/10/387042210.db2.gz AEAQATDKJHHTLQ-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN O=Cc1c(F)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575661058 387050659 /nfs/dbraw/zinc/05/06/59/387050659.db2.gz HLLBNWUSKBTFEB-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN O=Cc1cc(F)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575661040 387051564 /nfs/dbraw/zinc/05/15/64/387051564.db2.gz GOBGNVATENNBMJ-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN O=Cc1cc(OC(F)F)cc([N+](=O)[O-])c1F ZINC000575660880 387052535 /nfs/dbraw/zinc/05/25/35/387052535.db2.gz BXLSNGWRGRQWEQ-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN O=[N+]([O-])c1cc(F)c([O-])c(OC(F)F)c1 ZINC000575661396 387059818 /nfs/dbraw/zinc/05/98/18/387059818.db2.gz OLCBVBQONKPDMN-UHFFFAOYSA-N 0 0 223.106 2.041 10 5 BEBERN O=Cc1c(OC(F)F)cc(F)cc1[N+](=O)[O-] ZINC000575661402 387060282 /nfs/dbraw/zinc/06/02/82/387060282.db2.gz ORKKKRVCBYJLNY-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN O=Cc1cc(F)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575661446 387062095 /nfs/dbraw/zinc/06/20/95/387062095.db2.gz PWLWPXLLTYZTRV-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN COc1cc(OC(F)F)c([N+](=O)[O-])cc1F ZINC000575661314 387070266 /nfs/dbraw/zinc/07/02/66/387070266.db2.gz LCQKVCZDUYRGBB-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN O=Cc1cc([N+](=O)[O-])cc(F)c1OC(F)F ZINC000575661718 387112050 /nfs/dbraw/zinc/11/20/50/387112050.db2.gz VKODSCXUVLYDOK-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN O=Cc1c(OC(F)F)ccc(F)c1[N+](=O)[O-] ZINC000575661656 387112316 /nfs/dbraw/zinc/11/23/16/387112316.db2.gz RLWLJBHUMZVAMU-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN O=[N+]([O-])c1ccc([O-])c(F)c1OC(F)F ZINC000575662025 387162006 /nfs/dbraw/zinc/16/20/06/387162006.db2.gz ZZLCRQJEFBYGLX-UHFFFAOYSA-N 0 0 223.106 2.041 10 5 BEBERN COc1cc(OC(F)F)cc([N+](=O)[O-])c1C=O ZINC000575666691 387319092 /nfs/dbraw/zinc/31/90/92/387319092.db2.gz YVTCOBIIFSNPCM-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(C(F)F)c1CO ZINC000575665707 387315110 /nfs/dbraw/zinc/31/51/10/387315110.db2.gz GPHVQUYCRODUIB-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN CCOc1cc(CO)cc(C(F)F)c1[N+](=O)[O-] ZINC000575665846 387315769 /nfs/dbraw/zinc/31/57/69/387315769.db2.gz HWNFMFHMXLAGBB-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN COc1cc(C=O)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575663986 387290802 /nfs/dbraw/zinc/29/08/02/387290802.db2.gz AFJIQYYTXJXGJQ-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN CCOC(=O)c1c([N+](=O)[O-])ccc(C)c1OC ZINC000575675806 387357549 /nfs/dbraw/zinc/35/75/49/387357549.db2.gz YTAGNPNQAVSMCE-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN Cc1cc(C=O)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575668282 387325724 /nfs/dbraw/zinc/32/57/24/387325724.db2.gz UFRIENJZRNQOTP-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN Cc1cc([N+](=O)[O-])c(OC(F)F)cc1C=O ZINC000575669125 387332522 /nfs/dbraw/zinc/33/25/22/387332522.db2.gz YQWUWRAQSRPWBJ-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN COc1cc(CO)c(C(F)F)cc1[N+](=O)[O-] ZINC000575671451 387334896 /nfs/dbraw/zinc/33/48/96/387334896.db2.gz KPBOMHHYGLXOMC-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN COc1cc(CO)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575670869 387336113 /nfs/dbraw/zinc/33/61/13/387336113.db2.gz DGGNEKIXNHFYLR-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN COc1cc(C(C)=O)c(C)cc1[N+](=O)[O-] ZINC000575673106 387340059 /nfs/dbraw/zinc/34/00/59/387340059.db2.gz CKEIFUIZVIDXJC-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN COc1cc(C)cc([N+](=O)[O-])c1C(C)=O ZINC000575673044 387340975 /nfs/dbraw/zinc/34/09/75/387340975.db2.gz ATWRBMLZVOOSBU-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN CCOC(=O)c1cc(C)cc(OC)c1[N+](=O)[O-] ZINC000575673684 387343347 /nfs/dbraw/zinc/34/33/47/387343347.db2.gz LYJGMHWRYWCETQ-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN CC(=O)c1c(Cl)c(N)ccc1[N+](=O)[O-] ZINC000575715965 387430877 /nfs/dbraw/zinc/43/08/77/387430877.db2.gz BAOFOSGZRYOQJP-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1ccc(Cl)c([N+](=O)[O-])c1N ZINC000575716671 387433249 /nfs/dbraw/zinc/43/32/49/387433249.db2.gz UVXICDWSQRNDGC-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1cc(Cl)c(N)cc1[N+](=O)[O-] ZINC000575716521 387433457 /nfs/dbraw/zinc/43/34/57/387433457.db2.gz RKQLYBZOIADXLB-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N ZINC000575719877 387439537 /nfs/dbraw/zinc/43/95/37/387439537.db2.gz NPBVIVMXTRJUSE-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN Cc1cc(OC(F)F)c([N+](=O)[O-])cc1N ZINC000575721184 387442935 /nfs/dbraw/zinc/44/29/35/387442935.db2.gz JPANBOJFSXOGHG-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Cc1c(OC(F)F)cc(N)cc1[N+](=O)[O-] ZINC000575721657 387444323 /nfs/dbraw/zinc/44/43/23/387444323.db2.gz WASJWENYVARPIW-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Nc1c(Cl)cc([N+](=O)[O-])cc1OC(F)F ZINC000575722107 387444650 /nfs/dbraw/zinc/44/46/50/387444650.db2.gz FXILODQTZMPZJV-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN CCOc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000575697280 387391040 /nfs/dbraw/zinc/39/10/40/387391040.db2.gz ULCQPVBPOSOWIR-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CCOc1c(C(C)=O)cc(OC)cc1[N+](=O)[O-] ZINC000575698457 387394354 /nfs/dbraw/zinc/39/43/54/387394354.db2.gz QIABATCBRMBQIT-UHFFFAOYSA-N 0 0 239.227 2.205 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(CC)cc1CO ZINC000575695423 387395993 /nfs/dbraw/zinc/39/59/93/387395993.db2.gz IGTZYMIKJFOLOX-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN CCOc1cc(C)cc(OC)c1[N+](=O)[O-] ZINC000575698615 387396722 /nfs/dbraw/zinc/39/67/22/387396722.db2.gz ATSSWWZSIZGUCN-UHFFFAOYSA-N 0 0 211.217 2.311 10 5 BEBERN O=[N+]([O-])c1c(F)cc(F)cc1OCF ZINC000306569016 387397088 /nfs/dbraw/zinc/39/70/88/387397088.db2.gz VURQFGQWUHQPSH-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN CCOc1c(C=O)cc([N+](=O)[O-])cc1CC ZINC000575696404 387397258 /nfs/dbraw/zinc/39/72/58/387397258.db2.gz NHIIKGIMBJOORA-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CCOc1c(C=O)cc(CC)cc1[N+](=O)[O-] ZINC000575697060 387398829 /nfs/dbraw/zinc/39/88/29/387398829.db2.gz RYSPWIIYMILLQH-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CCOc1cc(C=O)cc(C)c1[N+](=O)[O-] ZINC000575699409 387403727 /nfs/dbraw/zinc/40/37/27/387403727.db2.gz VRRXZOFIGPMXDP-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN CCOc1cc(OC)cc(C)c1[N+](=O)[O-] ZINC000575699402 387403895 /nfs/dbraw/zinc/40/38/95/387403895.db2.gz VONBUXQHQZGENQ-UHFFFAOYSA-N 0 0 211.217 2.311 10 5 BEBERN CSc1c(F)ccc(C=O)c1[N+](=O)[O-] ZINC000575710091 387413425 /nfs/dbraw/zinc/41/34/25/387413425.db2.gz PKPAXDRNNMWEHC-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN CSc1cc([N+](=O)[O-])cc(C=O)c1F ZINC000575710087 387413732 /nfs/dbraw/zinc/41/37/32/387413732.db2.gz PIKOPXRHAPLUKQ-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN O=[N+]([O-])c1cc(F)c(C(F)(F)F)cc1CO ZINC000575711426 387415668 /nfs/dbraw/zinc/41/56/68/387415668.db2.gz UAPNBBRBVDAFMP-UHFFFAOYSA-N 0 0 239.124 2.245 10 5 BEBERN COC(=O)c1cc(F)cc(Cl)c1[N+](=O)[O-] ZINC000575712581 387417431 /nfs/dbraw/zinc/41/74/31/387417431.db2.gz LCJLKOBDDZPVSH-UHFFFAOYSA-N 0 0 233.582 2.174 10 5 BEBERN COC(=O)c1c(OC)cc(Cl)cc1[N+](=O)[O-] ZINC000575713670 387417437 /nfs/dbraw/zinc/41/74/37/387417437.db2.gz YUTGKDVPFMWQBI-UHFFFAOYSA-N 0 0 245.618 2.043 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H]2C)n1 ZINC000088036160 387525714 /nfs/dbraw/zinc/52/57/14/387525714.db2.gz YXRDQDWQYNYFNO-SVRRBLITSA-N 0 0 207.233 2.119 10 5 BEBERN COc1c(C(F)(F)F)ccc(C=O)c1[N+](=O)[O-] ZINC000575728634 387465869 /nfs/dbraw/zinc/46/58/69/387465869.db2.gz FYYDMDKJMPMWEJ-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1c(N)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575728841 387467453 /nfs/dbraw/zinc/46/74/53/387467453.db2.gz GFYBOKSVPVGRSQ-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1cc(C=O)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575728853 387468299 /nfs/dbraw/zinc/46/82/99/387468299.db2.gz GKSSXFJGYKXHLH-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1ccc([N+](=O)[O-])c(C=O)c1C(F)(F)F ZINC000575730162 387470100 /nfs/dbraw/zinc/47/01/00/387470100.db2.gz VFKADDYBLYLKNW-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1c(C=O)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575730678 387471653 /nfs/dbraw/zinc/47/16/53/387471653.db2.gz ZWXMQWPQDNSVKP-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1ccc(OC(F)F)c(OC)c1[N+](=O)[O-] ZINC000575653122 387894272 /nfs/dbraw/zinc/89/42/72/387894272.db2.gz WRBBSJZEBJDKLF-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN CCOC(=O)Cc1cc([N+](=O)[O-])c(C)cc1C ZINC000575397151 388616383 /nfs/dbraw/zinc/61/63/83/388616383.db2.gz HMVCSZDWWXDGMZ-UHFFFAOYSA-N 0 0 237.255 2.317 10 5 BEBERN O=[N+]([O-])c1ccsc1NC1CCC(O)CC1 ZINC000301928604 388711109 /nfs/dbraw/zinc/71/11/09/388711109.db2.gz IWZDDVCPWWWVMV-UHFFFAOYSA-N 0 0 242.300 2.372 10 5 BEBERN O=[N+]([O-])c1ccc(F)cc1N1CCSCC1 ZINC000301336528 132291973 /nfs/dbraw/zinc/29/19/73/132291973.db2.gz GLFYMTHMNKGTND-UHFFFAOYSA-N 0 0 242.275 2.287 10 5 BEBERN CC[C@H](Nc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000042590925 322838987 /nfs/dbraw/zinc/83/89/87/322838987.db2.gz ZVJWHFWSFNISMZ-QMMMGPOBSA-N 0 0 226.280 2.175 10 5 BEBERN Cc1cnc([C@H](C)Nc2ncccc2[N+](=O)[O-])o1 ZINC000226546825 134366211 /nfs/dbraw/zinc/36/62/11/134366211.db2.gz OUXWHWGYKZLIGV-QMMMGPOBSA-N 0 0 248.242 2.459 10 5 BEBERN Cc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])nc2)o1 ZINC000235549496 134595486 /nfs/dbraw/zinc/59/54/86/134595486.db2.gz JMXZQJODSARITM-QMMMGPOBSA-N 0 0 248.242 2.459 10 5 BEBERN Cc1cc(OC(F)F)c(N)c([N+](=O)[O-])c1 ZINC000575721550 398067597 /nfs/dbraw/zinc/06/75/97/398067597.db2.gz RYTOOOQEXLGZLJ-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN O=Cc1ccc2nc3ccc(=O)cc-3[nH]c2c1 ZINC000584627301 398080100 /nfs/dbraw/zinc/08/01/00/398080100.db2.gz SCAYUHCAHRFZJO-UHFFFAOYSA-N 0 0 224.219 2.301 10 5 BEBERN CN1c2ccc([N+](=O)[O-])cc2C2(CC=CC2)C1=O ZINC000584645992 398085759 /nfs/dbraw/zinc/08/57/59/398085759.db2.gz KRCNITWBSRODFE-UHFFFAOYSA-N 0 0 244.250 2.159 10 5 BEBERN CC(C)(C)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000012654318 166640036 /nfs/dbraw/zinc/64/00/36/166640036.db2.gz RDQXCQRPVWXZSX-UHFFFAOYSA-N 0 0 230.655 2.249 10 5 BEBERN CC(C)Nc1cc2c(cc1[N+](=O)[O-])NC(=O)CC2 ZINC000035060060 167145824 /nfs/dbraw/zinc/14/58/24/167145824.db2.gz HQZJTLFVLBQCSS-UHFFFAOYSA-N 0 0 249.270 2.300 10 5 BEBERN CC1(CNc2cc(F)ccc2[N+](=O)[O-])COC1 ZINC000227531588 168046169 /nfs/dbraw/zinc/04/61/69/168046169.db2.gz FQPQNRYSOCFYND-UHFFFAOYSA-N 0 0 240.234 2.182 10 5 BEBERN CCC(=O)c1ccc2n[nH]cc2c1[N+](=O)[O-] ZINC000089196895 168257687 /nfs/dbraw/zinc/25/76/87/168257687.db2.gz JMEABYMZIQOZHK-UHFFFAOYSA-N 0 0 219.200 2.064 10 5 BEBERN CCOC(=O)CC1(C[N+](=O)[O-])CCCCC1 ZINC000038284326 170198121 /nfs/dbraw/zinc/19/81/21/170198121.db2.gz DIXXMLNOGLTXGM-UHFFFAOYSA-N 0 0 229.276 2.167 10 5 in-vitro BEBERN CCOC(=O)C[C@@]1(C[N+](=O)[O-])CC[C@@H](C)C1 ZINC000095347582 170232545 /nfs/dbraw/zinc/23/25/45/170232545.db2.gz RWQOCDVVKSXCMT-MWLCHTKSSA-N 0 0 229.276 2.023 10 5 BEBERN CCOC(=O)[C@H](C)c1ccc(F)cc1[N+](=O)[O-] ZINC000196198409 170270487 /nfs/dbraw/zinc/27/04/87/170270487.db2.gz KHPGZZURWOQWAS-SSDOTTSWSA-N 0 0 241.218 2.401 10 5 BEBERN CCc1cc([N+](=O)[O-])c(C(C)=O)cc1OC ZINC000071624971 171775571 /nfs/dbraw/zinc/77/55/71/171775571.db2.gz LJVXEHAXEWSOKY-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN COc1cc(Cl)c([N+](=O)[O-])c(OC)c1 ZINC000005732383 174989455 /nfs/dbraw/zinc/98/94/55/174989455.db2.gz VHLPIOGWYXZJJT-UHFFFAOYSA-N 0 0 217.608 2.265 10 5 BEBERN C[C@@H](O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000253561879 175999413 /nfs/dbraw/zinc/99/94/13/175999413.db2.gz CPPDVTVMWSILAE-SSDOTTSWSA-N 0 0 222.244 2.222 10 5 BEBERN C[C@@H](Oc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)O ZINC000229760149 177005522 /nfs/dbraw/zinc/00/55/22/177005522.db2.gz AMTKCVSYEFBPQG-NKWVEPMBSA-N 0 0 245.662 2.396 10 5 BEBERN C[C@H](O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000035322946 177016784 /nfs/dbraw/zinc/01/67/84/177016784.db2.gz QVXFCFXDPDWGNG-YFKPBYRVSA-N 0 0 246.060 2.411 10 5 BEBERN C[C@H](c1cccs1)n1ncc([N+](=O)[O-])c1N ZINC000043669582 177049804 /nfs/dbraw/zinc/04/98/04/177049804.db2.gz AJTWRMTZIIJPFU-ZCFIWIBFSA-N 0 0 238.272 2.044 10 5 BEBERN C[C@H]1CCCC[C@H]1n1ncc([N+](=O)[O-])c1N ZINC000043669435 177090553 /nfs/dbraw/zinc/09/05/53/177090553.db2.gz RRHZCDPRGWKHJO-JGVFFNPUSA-N 0 0 224.264 2.125 10 5 BEBERN C[C@H]1CCCN1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037911669 177109184 /nfs/dbraw/zinc/10/91/84/177109184.db2.gz JEYJAWUNGQANHW-JTQLQIEISA-N 0 0 248.282 2.262 10 5 BEBERN C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2N)C1 ZINC000052840757 177171338 /nfs/dbraw/zinc/17/13/38/177171338.db2.gz KSJYJZRMKXLZRG-QMMMGPOBSA-N 0 0 221.260 2.023 10 5 BEBERN C[C@H]1C[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771887 177350866 /nfs/dbraw/zinc/35/08/66/177350866.db2.gz ZMLYICSEZOJNBW-RCOVLWMOSA-N 0 0 232.243 2.291 10 5 BEBERN Cc1c(C(=O)N[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000171068379 177569651 /nfs/dbraw/zinc/56/96/51/177569651.db2.gz IJMNBSFXDRZHMO-XVKPBYJWSA-N 0 0 234.255 2.041 10 5 BEBERN Cc1c(C(=O)N[C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000171068393 177569783 /nfs/dbraw/zinc/56/97/83/177569783.db2.gz IJMNBSFXDRZHMO-XCBNKYQSSA-N 0 0 234.255 2.041 10 5 BEBERN Cc1c(NC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000037061384 177619989 /nfs/dbraw/zinc/61/99/89/177619989.db2.gz DUGFCDRPTBYHAB-JTQLQIEISA-N 0 0 236.271 2.352 10 5 BEBERN CC(C)Cn1ccc(Cl)c([N+](=O)[O-])c1=O ZINC000095098120 519514874 /nfs/dbraw/zinc/51/48/74/519514874.db2.gz ABORFUUCHMQPKI-UHFFFAOYSA-N 0 0 230.651 2.066 10 5 BEBERN CC1(C)[C@H](O)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000088179007 520678613 /nfs/dbraw/zinc/67/86/13/520678613.db2.gz ODRIPCLHMNNNND-GHMZBOCLSA-N 0 0 221.256 2.469 10 5 BEBERN CC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000111763709 582861270 /nfs/dbraw/zinc/86/12/70/582861270.db2.gz QQHGASKKKCQCAG-UHFFFAOYSA-N 0 0 248.282 2.400 10 5 BEBERN O=C(O[C@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000001729167 583848434 /nfs/dbraw/zinc/84/84/34/583848434.db2.gz SZTHAWZHGAJPPC-NSHDSACASA-N 0 0 233.223 2.470 10 5 BEBERN Cc1ccc(OC(=O)[C@@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000120120636 589381689 /nfs/dbraw/zinc/38/16/89/589381689.db2.gz ZEESVHLNFNOMLO-RKDXNWHRSA-N 0 0 235.239 2.465 10 5 BEBERN Cc1ccc(OC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000131809080 591664555 /nfs/dbraw/zinc/66/45/55/591664555.db2.gz FYVZYNGFCYMUCK-UHFFFAOYSA-N 0 0 223.228 2.465 10 5 BEBERN COC1CC(Nc2ccsc2[N+](=O)[O-])C1 ZINC000309180078 631923585 /nfs/dbraw/zinc/92/35/85/631923585.db2.gz NNHDYGYGXUNZIJ-UHFFFAOYSA-N 0 0 228.273 2.246 10 5 BEBERN C[C@@H](O)[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000343798372 636775568 /nfs/dbraw/zinc/77/55/68/636775568.db2.gz VRPIDXQPYNMYGF-NTSWFWBYSA-N 0 0 246.213 2.054 10 5 BEBERN COCC1CC(Nc2ccsc2[N+](=O)[O-])C1 ZINC000713932032 712473896 /nfs/dbraw/zinc/47/38/96/712473896.db2.gz YITZQHYLSXZBOF-UHFFFAOYSA-N 0 0 242.300 2.493 10 5 BEBERN C[C@@H]1O[C@H]2CCCC[C@@]23CCC[N@+]1([O-])C3 ZINC000257478679 717178571 /nfs/dbraw/zinc/17/85/71/717178571.db2.gz LWVOWKXWHFNTLO-CYDGBPFRSA-N 0 0 211.305 2.400 10 5 BEBERN COC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000204462248 970749820 /nfs/dbraw/zinc/74/98/20/970749820.db2.gz WMDXXDOMZCBWRD-UHFFFAOYSA-N 0 0 243.646 2.354 10 5 BEBERN C=C(OCC)c1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC000685964995 538911471 /nfs/dbraw/zinc/91/14/71/538911471.db2.gz JZBMYOUZQZQVOK-UHFFFAOYSA-N 0 0 243.650 2.354 10 5 BEBERN CNC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000037247245 361776248 /nfs/dbraw/zinc/77/62/48/361776248.db2.gz PIRJPBLOFZFSDS-UHFFFAOYSA-N 0 0 249.053 2.261 10 5 BEBERN Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@H]1C ZINC000052812921 178275439 /nfs/dbraw/zinc/27/54/39/178275439.db2.gz BURHXNKEFYVZLX-RCOVLWMOSA-N 0 0 207.233 2.119 10 5 BEBERN O=Cc1cncc(-c2cccc([N+](=O)[O-])c2)c1 ZINC000035630014 538957454 /nfs/dbraw/zinc/95/74/54/538957454.db2.gz XRUWAMHSDGBFQK-UHFFFAOYSA-N 0 0 228.207 2.469 10 5 BEBERN O=[N+]([O-])c1ccsc1N[C@@H]1CCC[C@H](O)C1 ZINC000309604629 342745289 /nfs/dbraw/zinc/74/52/89/342745289.db2.gz XOVQUBPZTHEZQQ-SFYZADRCSA-N 0 0 242.300 2.372 10 5 BEBERN CCOc1ncc(Br)cc1[N+](=O)[O-] ZINC000042388952 342774850 /nfs/dbraw/zinc/77/48/50/342774850.db2.gz AWRLZJJDHWCYKN-UHFFFAOYSA-N 0 0 247.048 2.151 10 5 BEBERN CC(C)Cn1cc(Cl)c([N+](=O)[O-])n1 ZINC000070984650 361926932 /nfs/dbraw/zinc/92/69/32/361926932.db2.gz GDPQIMKVHQMMNR-UHFFFAOYSA-N 0 0 203.629 2.101 10 5 BEBERN CCC[C@H](NO)c1ccc([N+](=O)[O-])cc1 ZINC000308760787 342867568 /nfs/dbraw/zinc/86/75/68/342867568.db2.gz LGXDGURPDBXEFE-JTQLQIEISA-N 0 0 210.233 2.415 10 5 BEBERN Cc1ccc(CNc2ccncc2[N+](=O)[O-])cn1 ZINC000062054922 398308088 /nfs/dbraw/zinc/30/80/88/398308088.db2.gz FLDRMMNURHRWJZ-UHFFFAOYSA-N 0 0 244.254 2.305 10 5 BEBERN CC[C@@H](NO)c1cc(F)ccc1[N+](=O)[O-] ZINC000308916936 342876048 /nfs/dbraw/zinc/87/60/48/342876048.db2.gz YDFZMEYEAUODQO-MRVPVSSYSA-N 0 0 214.196 2.164 10 5 BEBERN O=[N+]([O-])c1cc(Cl)nc(N2CCCC2)c1 ZINC000219668790 342886799 /nfs/dbraw/zinc/88/67/99/342886799.db2.gz MMHUTYWRNGUQOR-UHFFFAOYSA-N 0 0 227.651 2.243 10 5 BEBERN O=[N+]([O-])c1c(CF)cncc1OC(F)(F)F ZINC000309196233 342907613 /nfs/dbraw/zinc/90/76/13/342907613.db2.gz SVLFTBHGOPHCEX-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN O=[N+]([O-])c1cc(OC(F)(F)F)ncc1CF ZINC000309232328 342920236 /nfs/dbraw/zinc/92/02/36/342920236.db2.gz YEYLWJRXLDKQHD-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN CC(C)[C@H](O)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000116808065 342938135 /nfs/dbraw/zinc/93/81/35/342938135.db2.gz VUFOWPYCHOHKDR-JTQLQIEISA-N 0 0 240.215 2.192 10 5 BEBERN C[C@H]1CC(c2ccncc2[N+](=O)[O-])=C[C@@H](O)C1 ZINC000116907082 342938956 /nfs/dbraw/zinc/93/89/56/342938956.db2.gz ZNLXEBMYIFPFSB-WPRPVWTQSA-N 0 0 234.255 2.164 10 5 BEBERN O=CC[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000145009240 343067906 /nfs/dbraw/zinc/06/79/06/343067906.db2.gz LZUVTUQZZKIOJN-SECBINFHSA-N 0 0 227.647 2.289 10 5 BEBERN O=Cc1cc([N+](=O)[O-])cc(F)c1Br ZINC000306665065 362022665 /nfs/dbraw/zinc/02/26/65/362022665.db2.gz XQOJKPBSCHBXGP-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN Cc1ncc(-c2ccc([N+](=O)[O-])nc2)s1 ZINC000584881637 343082797 /nfs/dbraw/zinc/08/27/97/343082797.db2.gz YWPWJGAZHIPJDW-UHFFFAOYSA-N 0 0 221.241 2.422 10 5 BEBERN Cc1cc(Br)c(C=O)c([N+](=O)[O-])c1 ZINC000306668897 362028234 /nfs/dbraw/zinc/02/82/34/362028234.db2.gz AGTJCIUJSPILRZ-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN O=c1c2c(O)cccc2oc2cc(O)cc(O)c21 ZINC000014821968 343131617 /nfs/dbraw/zinc/13/16/17/343131617.db2.gz USKKTSTUBVKGIU-UHFFFAOYSA-N 0 0 244.202 2.063 10 5 BEBERN CC(=O)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000037947252 343135456 /nfs/dbraw/zinc/13/54/56/343135456.db2.gz FYBUTKJHAJQBGJ-MRVPVSSYSA-N 0 0 207.229 2.362 10 5 BEBERN CC[C@H]([C@@H](O)CCc1ccccc1)[N+](=O)[O-] ZINC000144549787 343135838 /nfs/dbraw/zinc/13/58/38/343135838.db2.gz WBXOUMYMGPQEIT-NEPJUHHUSA-N 0 0 223.272 2.035 10 5 BEBERN Nc1cccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000145255597 343698731 /nfs/dbraw/zinc/69/87/31/343698731.db2.gz DQMZPAMFJBBBON-UHFFFAOYSA-N 0 0 222.122 2.076 10 5 BEBERN CC[C@@H](O)CCNc1cc(F)ccc1[N+](=O)[O-] ZINC000135080895 343731757 /nfs/dbraw/zinc/73/17/57/343731757.db2.gz CLNRXWQWQFEYDK-SECBINFHSA-N 0 0 242.250 2.307 10 5 BEBERN O=[N+]([O-])c1cncc(OC(F)(F)F)c1CF ZINC000393768190 343926198 /nfs/dbraw/zinc/92/61/98/343926198.db2.gz DCAPZASVBSGYPR-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN Cc1ccc(CNc2ccc([N+](=O)[O-])cn2)n1C ZINC000033637288 178638058 /nfs/dbraw/zinc/63/80/58/178638058.db2.gz ZNARHGSNENBSAJ-UHFFFAOYSA-N 0 0 246.270 2.249 10 5 BEBERN O=[N+]([O-])c1cc(CO)c(Cl)cc1Cl ZINC000165889702 344185884 /nfs/dbraw/zinc/18/58/84/344185884.db2.gz JJRGOVKYDJGGPM-UHFFFAOYSA-N 0 0 222.027 2.394 10 5 BEBERN CSc1ncc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000220059775 344313744 /nfs/dbraw/zinc/31/37/44/344313744.db2.gz BRXMBQIFIBDCFL-UHFFFAOYSA-N 0 0 248.267 2.169 10 5 BEBERN COC(=O)c1c(F)ccc([N+](=O)[O-])c1Cl ZINC000215586445 344385495 /nfs/dbraw/zinc/38/54/95/344385495.db2.gz BZJDXIIVIVNYKX-UHFFFAOYSA-N 0 0 233.582 2.174 10 5 BEBERN O=[N+]([O-])c1c(F)ccnc1OC(F)(F)F ZINC000238574265 344589653 /nfs/dbraw/zinc/58/96/53/344589653.db2.gz UDQLQRWEISKCTI-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN C[C@@H]1CN[C@@H](c2ccc([N+](=O)[O-])s2)S1 ZINC000235357018 344893922 /nfs/dbraw/zinc/89/39/22/344893922.db2.gz PFLUGDBTMBTDNL-SVGQVSJJSA-N 0 0 230.314 2.380 10 5 BEBERN C[Si](C)(C)CCOCn1cnc([N+](=O)[O-])c1 ZINC000200128639 345254665 /nfs/dbraw/zinc/25/46/65/345254665.db2.gz DMNXHBLMKWBGEO-UHFFFAOYSA-N 0 0 243.339 2.104 10 5 BEBERN Cc1ccc([C@H](C)Nc2ncc([N+](=O)[O-])cn2)o1 ZINC000040454898 178901149 /nfs/dbraw/zinc/90/11/49/178901149.db2.gz TZTRYPKRDSLBCB-QMMMGPOBSA-N 0 0 248.242 2.459 10 5 BEBERN O=[N+]([O-])c1cccc(F)c1[C@@H]1C=CCO1 ZINC000142833293 345863934 /nfs/dbraw/zinc/86/39/34/345863934.db2.gz APBNUFLHPRIBGV-VIFPVBQESA-N 0 0 209.176 2.361 10 5 BEBERN CC(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000034546236 345831568 /nfs/dbraw/zinc/83/15/68/345831568.db2.gz OKRLWAXRLJOWQM-ZETCQYMHSA-N 0 0 209.201 2.219 10 5 BEBERN Cc1ccc([N+](=O)[O-])cc1NCc1cn[nH]c1 ZINC000053734481 178932933 /nfs/dbraw/zinc/93/29/33/178932933.db2.gz LBDFQKCYESVLOR-UHFFFAOYSA-N 0 0 232.243 2.238 10 5 BEBERN Cn1c(/C=C/c2ccccc2)cnc1[N+](=O)[O-] ZINC000033956544 345947958 /nfs/dbraw/zinc/94/79/58/345947958.db2.gz WUKJZHIPZPZBLS-BQYQJAHWSA-N 0 0 229.239 2.499 10 5 BEBERN O=[N+]([O-])C[C@H](CCl)OCc1ccccc1 ZINC000034117373 346199429 /nfs/dbraw/zinc/19/94/29/346199429.db2.gz ZGIGEZGLYQACPW-JTQLQIEISA-N 0 0 229.663 2.087 10 5 BEBERN Cn1c(/C=C\c2ccccc2)ncc1[N+](=O)[O-] ZINC000005386157 346205516 /nfs/dbraw/zinc/20/55/16/346205516.db2.gz HGBWQGJWYQJSEA-FPLPWBNLSA-N 0 0 229.239 2.499 10 5 BEBERN Cc1nsc(-c2ccccc2[N+](=O)[O-])n1 ZINC000669379537 537979437 /nfs/dbraw/zinc/97/94/37/537979437.db2.gz DZSTVODBPFRMSO-UHFFFAOYSA-N 0 0 221.241 2.422 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1NC[C@@H](O)C(C)C ZINC000125141939 179205969 /nfs/dbraw/zinc/20/59/69/179205969.db2.gz XMXRFKBUTAWDDS-LLVKDONJSA-N 0 0 238.287 2.332 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1O[C@H](C)[C@@H](C)O ZINC000128656054 179206989 /nfs/dbraw/zinc/20/69/89/179206989.db2.gz MGLBSTJJNCXXLC-RKDXNWHRSA-N 0 0 225.244 2.051 10 5 BEBERN O=Cc1cccc(-c2ccncc2[N+](=O)[O-])c1 ZINC000616569440 347699140 /nfs/dbraw/zinc/69/91/40/347699140.db2.gz LBCBXKGJGZKRHS-UHFFFAOYSA-N 0 0 228.207 2.469 10 5 BEBERN Cc1ccccc1[C@@H]([C@H](C)[N+](=O)[O-])n1cccn1 ZINC000252514057 179329075 /nfs/dbraw/zinc/32/90/75/179329075.db2.gz AZMCQWDHAIPSQE-WCQYABFASA-N 0 0 245.282 2.446 10 5 BEBERN CC(C)(CF)Nc1ncc([N+](=O)[O-])s1 ZINC000306621002 187389415 /nfs/dbraw/zinc/38/94/15/187389415.db2.gz YPURPPWBWMVAFZ-UHFFFAOYSA-N 0 0 219.241 2.211 10 5 BEBERN Cn1ccc(-n2ccc3c2cccc3[N+](=O)[O-])n1 ZINC000224435706 348256331 /nfs/dbraw/zinc/25/63/31/348256331.db2.gz IRJLHVFFEAWUFV-UHFFFAOYSA-N 0 0 242.238 2.272 10 5 BEBERN Cc1[nH]cnc1-c1ccccc1[N+](=O)[O-] ZINC000222022963 349988401 /nfs/dbraw/zinc/98/84/01/349988401.db2.gz LXOHLMIACNXZKO-UHFFFAOYSA-N 0 0 203.201 2.293 10 5 BEBERN CON(Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000198837814 348991429 /nfs/dbraw/zinc/99/14/29/348991429.db2.gz HUXTYMSHOGWZNN-UHFFFAOYSA-N 0 0 245.622 2.144 10 5 BEBERN CCOC(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000095916007 349282783 /nfs/dbraw/zinc/28/27/83/349282783.db2.gz GWWHFCHRHBNUET-UHFFFAOYSA-N 0 0 209.201 2.080 10 5 BEBERN CCC(=O)Cc1cc([N+](=O)[O-])c(F)cc1F ZINC000218081286 350082085 /nfs/dbraw/zinc/08/20/85/350082085.db2.gz XASBMRMHCCKLFM-UHFFFAOYSA-N 0 0 229.182 2.395 10 5 BEBERN Cc1c(O)cc(Br)cc1[N+](=O)[O-] ZINC000014983148 350228721 /nfs/dbraw/zinc/22/87/21/350228721.db2.gz KDUWLYPHIKTHCV-UHFFFAOYSA-N 0 0 232.033 2.371 10 5 BEBERN Cc1nn(-c2ccccc2[N+](=O)[O-])c(C)c1C=O ZINC000019965457 180330827 /nfs/dbraw/zinc/33/08/27/180330827.db2.gz UBCQAODHZHGKKY-UHFFFAOYSA-N 0 0 245.238 2.210 10 5 BEBERN Cc1nn([C@H](C)CC(C)C)c(N)c1[N+](=O)[O-] ZINC000043670491 180393437 /nfs/dbraw/zinc/39/34/37/180393437.db2.gz VWLVTIXDFXOCBA-SSDOTTSWSA-N 0 0 226.280 2.289 10 5 BEBERN Cc1c(Br)ccc(CO)c1[N+](=O)[O-] ZINC000306972357 351395550 /nfs/dbraw/zinc/39/55/50/351395550.db2.gz KVUBIACFWOQVDQ-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN Cc1c(C=O)c(Br)ccc1[N+](=O)[O-] ZINC000307157382 351507465 /nfs/dbraw/zinc/50/74/65/351507465.db2.gz QFZROORAFUDTQI-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN Cc1cc([N+](=O)[O-])c(Cl)cc1NO ZINC000307387452 352548223 /nfs/dbraw/zinc/54/82/23/352548223.db2.gz MQMZWULDSLAPRI-UHFFFAOYSA-N 0 0 202.597 2.358 10 5 BEBERN O=[N+]([O-])c1cc([O-])c(F)c(Br)c1 ZINC000307445316 352601307 /nfs/dbraw/zinc/60/13/07/352601307.db2.gz VOMPEXUTMQKNBT-UHFFFAOYSA-N 0 0 235.996 2.202 10 5 BEBERN O=[N+]([O-])c1nc(Cl)ccc1Br ZINC000307516831 352633019 /nfs/dbraw/zinc/63/30/19/352633019.db2.gz SWZVYXGZHZZCSX-UHFFFAOYSA-N 0 0 237.440 2.406 10 5 BEBERN C/C(=C/c1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000002555895 188100854 /nfs/dbraw/zinc/10/08/54/188100854.db2.gz DBWBKROWASFCCD-SREVYHEPSA-N 0 0 208.173 2.232 10 5 BEBERN COc1nscc1-c1ccc([N+](=O)[O-])nc1 ZINC000675058940 538483651 /nfs/dbraw/zinc/48/36/51/538483651.db2.gz CZWZUNPQXXQMHC-UHFFFAOYSA-N 0 0 237.240 2.122 10 5 BEBERN COc1ncccc1-c1ccc([N+](=O)[O-])nc1 ZINC000675072512 538503295 /nfs/dbraw/zinc/50/32/95/538503295.db2.gz DKSQRKZOYRICFY-UHFFFAOYSA-N 0 0 231.211 2.060 10 5 BEBERN O=[N+]([O-])c1cccc([C@]23C[C@H](CC2)[C@H]3O)c1 ZINC000675081270 538521634 /nfs/dbraw/zinc/52/16/34/538521634.db2.gz OYNISZUAQZIXSD-XXILOJSOSA-N 0 0 219.240 2.007 10 5 BEBERN CCOP(=O)(CC[C@H](F)[N+](=O)[O-])OCC ZINC000584602156 358260064 /nfs/dbraw/zinc/26/00/64/358260064.db2.gz PDYWHHPRXRXJSE-SSDOTTSWSA-N 0 0 243.171 2.215 10 5 BEBERN O=[N+]([O-])c1cccc([C@H](O)c2ccccn2)c1 ZINC000584609057 358269820 /nfs/dbraw/zinc/26/98/20/358269820.db2.gz IFCLJTWWJPHCMS-LBPRGKRZSA-N 0 0 230.223 2.072 10 5 BEBERN O=[N+]([O-])c1nonc1C12CC3CC(CC(C3)C1)C2 ZINC000584630059 358299541 /nfs/dbraw/zinc/29/95/41/358299541.db2.gz HDQLXCHXULVNRV-UHFFFAOYSA-N 0 0 249.270 2.446 10 5 BEBERN CO[C@H]1C[C@@H](n2cnc3ccc([N+](=O)[O-])cc32)C1 ZINC000584616986 358281397 /nfs/dbraw/zinc/28/13/97/358281397.db2.gz BYMFIJPQARVMPG-AOOOYVTPSA-N 0 0 247.254 2.294 10 5 BEBERN O=[N+]([O-])c1cccc(Nc2ccccc2)n1 ZINC000584639767 358325478 /nfs/dbraw/zinc/32/54/78/358325478.db2.gz MNURQDLKSQIPRC-UHFFFAOYSA-N 0 0 215.212 2.155 10 5 BEBERN CONc1ccc(Br)cc1[N+](=O)[O-] ZINC000306461330 360071436 /nfs/dbraw/zinc/07/14/36/360071436.db2.gz FUELCNDLLVNPJA-UHFFFAOYSA-N 0 0 247.048 2.331 10 5 BEBERN CC[C@@H](C)n1cc(Cl)c([N+](=O)[O-])n1 ZINC000069760113 360407118 /nfs/dbraw/zinc/40/71/18/360407118.db2.gz KAEQERFTZYUOSE-RXMQYKEDSA-N 0 0 203.629 2.416 10 5 BEBERN O=[N+]([O-])c1cc(OC(F)(F)F)ncc1F ZINC000238584430 361160583 /nfs/dbraw/zinc/16/05/83/361160583.db2.gz YLNJVBKUPWTXLG-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=C1CCOc2c1cc(Cl)cc2[N+](=O)[O-] ZINC000238552877 361151038 /nfs/dbraw/zinc/15/10/38/361151038.db2.gz JENQZRPLYFSTLO-UHFFFAOYSA-N 0 0 227.603 2.213 10 5 BEBERN Cc1cc([N+](=O)[O-])cc(OC(F)(F)F)n1 ZINC000238552908 361151043 /nfs/dbraw/zinc/15/10/43/361151043.db2.gz PGHRQMBWZWPNIX-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN O=[N+]([O-])c1cc(OC(F)(F)F)c(F)cn1 ZINC000238583376 361159697 /nfs/dbraw/zinc/15/96/97/361159697.db2.gz IMCOHDDHSMOJCR-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1cnc(OC(F)(F)F)cc1F ZINC000238613475 361165879 /nfs/dbraw/zinc/16/58/79/361165879.db2.gz OOYARLCOYMPQBN-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN Nc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000238704634 361364483 /nfs/dbraw/zinc/36/44/83/361364483.db2.gz JWPKFPQAIOYHAV-UHFFFAOYSA-N 0 0 222.122 2.076 10 5 BEBERN COCCCNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000036926757 361579644 /nfs/dbraw/zinc/57/96/44/361579644.db2.gz UOJYUROQGGQPGG-UHFFFAOYSA-N 0 0 245.666 2.092 10 5 BEBERN Cc1c(Cl)c([N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000037625895 364329897 /nfs/dbraw/zinc/32/98/97/364329897.db2.gz IQMJXFVNRNGVLP-UHFFFAOYSA-N 0 0 216.580 2.465 10 5 BEBERN O=[N+]([O-])c1cnccc1Nc1cccnc1 ZINC000225985017 368368244 /nfs/dbraw/zinc/36/82/44/368368244.db2.gz SYUZVNYMTLEQEB-UHFFFAOYSA-N 0 0 216.200 2.128 10 5 BEBERN CCCCN(C)c1ncnc(Cl)c1[N+](=O)[O-] ZINC000040571201 168787171 /nfs/dbraw/zinc/78/71/71/168787171.db2.gz POEDIJIOQCYQKW-UHFFFAOYSA-N 0 0 244.682 2.275 10 5 BEBERN CC(C)(C)[C@H](O)CNc1sccc1[N+](=O)[O-] ZINC000301979220 370959205 /nfs/dbraw/zinc/95/92/05/370959205.db2.gz AGSIVHIJMZIXKF-MRVPVSSYSA-N 0 0 244.316 2.475 10 5 BEBERN COc1cc2c(cc1[N+](=O)[O-])NCC2(C)C ZINC000118296840 371008276 /nfs/dbraw/zinc/00/82/76/371008276.db2.gz MIHSPMIQTDLALK-UHFFFAOYSA-N 0 0 222.244 2.307 10 5 BEBERN CCOc1cc2c(cc1[N+](=O)[O-])NCCC2 ZINC000118295933 371008502 /nfs/dbraw/zinc/00/85/02/371008502.db2.gz ASWPJFLVBMKOCZ-UHFFFAOYSA-N 0 0 222.244 2.352 10 5 BEBERN O=[N+]([O-])CCc1cccc(Br)c1 ZINC000002519134 371567258 /nfs/dbraw/zinc/56/72/58/371567258.db2.gz WPCBCFUEKVEVAF-UHFFFAOYSA-N 0 0 230.061 2.268 10 5 BEBERN C[C@@H]([C@@H](O)c1ccc(C(F)(F)F)cc1)[N+](=O)[O-] ZINC000038869522 372794571 /nfs/dbraw/zinc/79/45/71/372794571.db2.gz ATUMVGCOAUQVPS-IMTBSYHQSA-N 0 0 249.188 2.404 10 5 BEBERN C[C@H]([C@@H](O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000141623815 372992888 /nfs/dbraw/zinc/99/28/88/372992888.db2.gz KZVZAZURGOJMSB-HZGVNTEJSA-N 0 0 215.636 2.039 10 5 BEBERN O=Cc1cnc2oc3ccccc3c(=O)c2c1 ZINC000082292276 182874219 /nfs/dbraw/zinc/87/42/19/182874219.db2.gz LKFRDIZODJHNMF-UHFFFAOYSA-N 0 0 225.203 2.154 10 5 BEBERN O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCC[C@H]1O ZINC000265557612 182924354 /nfs/dbraw/zinc/92/43/54/182924354.db2.gz IOMFLNNGKWVXKY-GXSJLCMTSA-N 0 0 240.234 2.059 10 5 BEBERN O=[N+]([O-])c1ccc(-c2ccnc3ccnn32)cc1 ZINC000072451552 182925731 /nfs/dbraw/zinc/92/57/31/182925731.db2.gz ARESQBJAHJCPTK-UHFFFAOYSA-N 0 0 240.222 2.305 10 5 BEBERN O=[N+]([O-])c1ccc(-c2cccc(CO)c2)o1 ZINC000071791984 182926484 /nfs/dbraw/zinc/92/64/84/182926484.db2.gz KZQYPSASJWRENB-UHFFFAOYSA-N 0 0 219.196 2.347 10 5 BEBERN O=[N+]([O-])c1ccc(F)c(NCc2ccncn2)c1 ZINC000054789272 182932414 /nfs/dbraw/zinc/93/24/14/182932414.db2.gz ILAKVBICYQRQLK-UHFFFAOYSA-N 0 0 248.217 2.136 10 5 BEBERN O=[N+]([O-])c1cccc(CNC(F)(F)F)c1 ZINC000095079293 182944463 /nfs/dbraw/zinc/94/44/63/182944463.db2.gz KJAIPRDVGWUAGY-UHFFFAOYSA-N 0 0 220.150 2.204 10 5 BEBERN O=c1cc(Oc2ccc([N+](=O)[O-])cc2)cc[nH]1 ZINC000091302036 182996716 /nfs/dbraw/zinc/99/67/16/182996716.db2.gz MZXDBHSESWDBIC-UHFFFAOYSA-N 0 0 232.195 2.075 10 5 BEBERN CCCNc1nc(-c2ccccc2[N+](=O)[O-])no1 ZINC000053750485 169295452 /nfs/dbraw/zinc/29/54/52/169295452.db2.gz YVNKLYGWVSZFBU-UHFFFAOYSA-N 0 0 248.242 2.467 10 5 BEBERN CCCNc1n[nH]c2cccc([N+](=O)[O-])c21 ZINC000089195859 169295921 /nfs/dbraw/zinc/29/59/21/169295921.db2.gz OJHDCOBMSSLBSE-UHFFFAOYSA-N 0 0 220.232 2.293 10 5 BEBERN CCCOc1cnc(Cl)c([N+](=O)[O-])c1 ZINC000299890216 169328492 /nfs/dbraw/zinc/32/84/92/169328492.db2.gz WAFUXDXTQCLXOL-UHFFFAOYSA-N 0 0 216.624 2.432 10 5 BEBERN C[C@H](CO)[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000134960001 383851568 /nfs/dbraw/zinc/85/15/68/383851568.db2.gz ASOWVEDDEUNLCA-SFYZADRCSA-N 0 0 242.250 2.163 10 5 BEBERN CCc1c(CO)ccc([N+](=O)[O-])c1OC(F)F ZINC000575660034 384406380 /nfs/dbraw/zinc/40/63/80/384406380.db2.gz RJIGVMFJYCPDJT-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN O=Cc1c(F)ccc([N+](=O)[O-])c1OC(F)F ZINC000575661928 384416720 /nfs/dbraw/zinc/41/67/20/384416720.db2.gz WCNLUBYVEHWACA-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN CCOc1cc(C(F)F)c([N+](=O)[O-])cc1CO ZINC000575667713 384445168 /nfs/dbraw/zinc/44/51/68/384445168.db2.gz USYOLQDEBQWKDL-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN Cc1c(OC(F)F)ccc(C=O)c1[N+](=O)[O-] ZINC000575666211 384438744 /nfs/dbraw/zinc/43/87/44/384438744.db2.gz HILBMVUKXSZYEU-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN CCS(=O)(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000105714008 384879660 /nfs/dbraw/zinc/87/96/60/384879660.db2.gz GFJNBXZKGVVXDH-MRVPVSSYSA-N 0 0 243.284 2.091 10 5 BEBERN O=[N+]([O-])c1ccc(Cc2nnc(C3CC3)[nH]2)cc1 ZINC000072236666 384840498 /nfs/dbraw/zinc/84/04/98/384840498.db2.gz VRRJFRPHWPWXGC-UHFFFAOYSA-N 0 0 244.254 2.181 10 5 BEBERN Cc1cc(N)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575720586 384894442 /nfs/dbraw/zinc/89/44/42/384894442.db2.gz ASZNGBSDJYHFMR-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Cc1nc(N2CC[C@](C)(F)C2)ccc1[N+](=O)[O-] ZINC000408049180 385185873 /nfs/dbraw/zinc/18/58/73/385185873.db2.gz WIYMYHISGICMMX-NSHDSACASA-N 0 0 239.250 2.237 10 5 BEBERN Cc1cnc(N[C@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000085426898 385176917 /nfs/dbraw/zinc/17/69/17/385176917.db2.gz SMUJKQYCGPVFTO-SFYZADRCSA-N 0 0 207.233 2.119 10 5 BEBERN N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000072194826 385292900 /nfs/dbraw/zinc/29/29/00/385292900.db2.gz RXNATEYXVVXZPI-ZETCQYMHSA-N 0 0 220.150 2.157 10 5 BEBERN COC(=O)c1ccc(C2CC2)cc1[N+](=O)[O-] ZINC000584599045 385466289 /nfs/dbraw/zinc/46/62/89/385466289.db2.gz VEMVGJMPGBAXID-UHFFFAOYSA-N 0 0 221.212 2.259 10 5 BEBERN CCC1=Cc2cc([N+](=O)[O-])ccc2O[C@H]1O ZINC000211673877 385688276 /nfs/dbraw/zinc/68/82/76/385688276.db2.gz UCZMNIDXMSMTMB-LLVKDONJSA-N 0 0 221.212 2.099 10 5 BEBERN O=[N+]([O-])c1ccc(CO)cc1NCCC1CC1 ZINC000302039345 386026357 /nfs/dbraw/zinc/02/63/57/386026357.db2.gz NEMBEBDZQZOSHW-UHFFFAOYSA-N 0 0 236.271 2.299 10 5 BEBERN O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@@H]2O)s1 ZINC000309520441 386050824 /nfs/dbraw/zinc/05/08/24/386050824.db2.gz BFWSXRUJASGGFR-SFYZADRCSA-N 0 0 242.300 2.372 10 5 BEBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CCC[C@H]32)nc1 ZINC000408362620 386283201 /nfs/dbraw/zinc/28/32/01/386283201.db2.gz PRWHTEVGCFKUKT-MWLCHTKSSA-N 0 0 233.271 2.369 10 5 BEBERN CCOC(=O)Cc1cc([N+](=O)[O-])cc(C)c1C ZINC000575397152 386997673 /nfs/dbraw/zinc/99/76/73/386997673.db2.gz IZFMZXHQDRSELO-UHFFFAOYSA-N 0 0 237.255 2.317 10 5 BEBERN CCOC(=O)Cc1c(C)ccc(C)c1[N+](=O)[O-] ZINC000575397157 386998510 /nfs/dbraw/zinc/99/85/10/386998510.db2.gz VJNFHTNFVZRGOH-UHFFFAOYSA-N 0 0 237.255 2.317 10 5 BEBERN CCc1cc([N+](=O)[O-])c(OC(F)F)cc1CO ZINC000575658002 387050436 /nfs/dbraw/zinc/05/04/36/387050436.db2.gz DLKAPIMILUDERQ-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN O=Cc1c(F)cc([N+](=O)[O-])cc1OC(F)F ZINC000575661032 387051208 /nfs/dbraw/zinc/05/12/08/387051208.db2.gz GGQOYRYWUPRWTL-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN CCc1cc(O)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575660768 387052788 /nfs/dbraw/zinc/05/27/88/387052788.db2.gz WRKOUDYDECXIJF-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN O=Cc1cc(OC(F)F)cc(F)c1[N+](=O)[O-] ZINC000575660830 387054444 /nfs/dbraw/zinc/05/44/44/387054444.db2.gz ACGZBYMKFXTABL-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN COc1c(F)ccc([N+](=O)[O-])c1OC(F)F ZINC000575661424 387061399 /nfs/dbraw/zinc/06/13/99/387061399.db2.gz PDUOYTWNSOPQNQ-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN COc1cc([N+](=O)[O-])c(OC(F)F)cc1F ZINC000575661105 387064196 /nfs/dbraw/zinc/06/41/96/387064196.db2.gz JBKGPNJPMYDVBK-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN COc1c(F)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575661943 387153633 /nfs/dbraw/zinc/15/36/33/387153633.db2.gz WOYWEQWXWCXJDK-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN O=Cc1cc(OC(F)F)c(F)cc1[N+](=O)[O-] ZINC000575661957 387159863 /nfs/dbraw/zinc/15/98/63/387159863.db2.gz XBONGHBLYPMORU-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN COc1c(F)c([N+](=O)[O-])ccc1OC(F)F ZINC000575661960 387160121 /nfs/dbraw/zinc/16/01/21/387160121.db2.gz XHOJSSLAMVSBJL-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN COc1ccc(OC(F)F)c([N+](=O)[O-])c1F ZINC000575661982 387165650 /nfs/dbraw/zinc/16/56/50/387165650.db2.gz YCXSHSYGKRSMME-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN COc1ccc(C=O)c([N+](=O)[O-])c1OC(F)F ZINC000575665204 387313768 /nfs/dbraw/zinc/31/37/68/387313768.db2.gz PDEWISXPZAQSAS-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN Cc1c(C=O)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575665379 387314025 /nfs/dbraw/zinc/31/40/25/387314025.db2.gz CWBOXBBYNRBRFP-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN CCOc1cc(CO)c([N+](=O)[O-])cc1C(F)F ZINC000575666844 387319161 /nfs/dbraw/zinc/31/91/61/387319161.db2.gz NDBFJXRNTMICKE-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN O=[N+]([O-])c1cc2c[nH]nc2cc1C(F)(F)F ZINC000089197118 387256560 /nfs/dbraw/zinc/25/65/60/387256560.db2.gz OJSUOQSOZAAODK-UHFFFAOYSA-N 0 0 231.133 2.490 10 5 BEBERN Cc1c(OC(F)F)cc(C=O)cc1[N+](=O)[O-] ZINC000575666219 387317612 /nfs/dbraw/zinc/31/76/12/387317612.db2.gz HJFZVXKFUFMAOC-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN COc1cc([N+](=O)[O-])c(C=O)cc1OC(F)F ZINC000575664469 387291026 /nfs/dbraw/zinc/29/10/26/387291026.db2.gz GFXKCBCQHMDSDE-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN CCOc1c(CO)cc([N+](=O)[O-])cc1C(F)F ZINC000575666799 387318746 /nfs/dbraw/zinc/31/87/46/387318746.db2.gz MFGBSGQUISGOQK-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN Cc1cc(C(N)=O)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575675574 387355461 /nfs/dbraw/zinc/35/54/61/387355461.db2.gz WINYLYGUXLHBFB-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN CCOC(=O)c1ccc([N+](=O)[O-])c(C)c1OC ZINC000575675773 387359677 /nfs/dbraw/zinc/35/96/77/387359677.db2.gz YEBDGFCJPLAINJ-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN CCOc1cc(CO)c(C(F)F)cc1[N+](=O)[O-] ZINC000575666816 387319455 /nfs/dbraw/zinc/31/94/55/387319455.db2.gz MKDLSYVGHNAXPT-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN O=[N+]([O-])c1cc(F)cc(CO)c1C(F)F ZINC000575669782 387330714 /nfs/dbraw/zinc/33/07/14/387330714.db2.gz NWGIYDXQBHMJJD-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN CCOc1cc(CC)c([N+](=O)[O-])cc1CO ZINC000575694088 387382912 /nfs/dbraw/zinc/38/29/12/387382912.db2.gz AVBYVTSHWSUJPW-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN COc1cc(C(F)F)cc(CO)c1[N+](=O)[O-] ZINC000575672275 387337621 /nfs/dbraw/zinc/33/76/21/387337621.db2.gz WPOCZSRAKPXCGZ-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN COc1cc(CO)c([N+](=O)[O-])cc1C(F)F ZINC000575672358 387339774 /nfs/dbraw/zinc/33/97/74/387339774.db2.gz ZWRVNGFOPIIXFH-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN Cc1c(C(N)=O)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575674414 387344572 /nfs/dbraw/zinc/34/45/72/387344572.db2.gz SFYKHXUKEVJEQE-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN CC(=O)c1c(N)ccc(Cl)c1[N+](=O)[O-] ZINC000575716052 387430130 /nfs/dbraw/zinc/43/01/30/387430130.db2.gz HKPLMCDXXBPTSL-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1c(N)cc(Cl)cc1[N+](=O)[O-] ZINC000575716010 387431043 /nfs/dbraw/zinc/43/10/43/387431043.db2.gz FEEVXSKVPUFHIN-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1cc(N)c([N+](=O)[O-])cc1Cl ZINC000575716018 387431060 /nfs/dbraw/zinc/43/10/60/387431060.db2.gz FQALLJKJIWPBEK-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1cc(N)cc(Cl)c1[N+](=O)[O-] ZINC000575716250 387432335 /nfs/dbraw/zinc/43/23/35/387432335.db2.gz OYWIFAYHMKWBAS-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN Nc1c(Cl)c([N+](=O)[O-])ccc1OC(F)F ZINC000575722751 387445886 /nfs/dbraw/zinc/44/58/86/387445886.db2.gz SRMXXWCYILELPT-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Nc1cc(Cl)c([N+](=O)[O-])cc1OC(F)F ZINC000575722632 387446227 /nfs/dbraw/zinc/44/62/27/387446227.db2.gz SEKMTJHBIPCAPI-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN CCOc1cc(OC)c([N+](=O)[O-])c(C(C)=O)c1 ZINC000575698088 387393224 /nfs/dbraw/zinc/39/32/24/387393224.db2.gz AWFPVBAAPXKRGN-UHFFFAOYSA-N 0 0 239.227 2.205 10 5 BEBERN CCOc1cc(OC)cc(C(C)=O)c1[N+](=O)[O-] ZINC000575698436 387394367 /nfs/dbraw/zinc/39/43/67/387394367.db2.gz PUGVSOJSNHDBJS-UHFFFAOYSA-N 0 0 239.227 2.205 10 5 BEBERN CCOc1cc(OC)c(F)c([N+](=O)[O-])c1 ZINC000575697637 387394758 /nfs/dbraw/zinc/39/47/58/387394758.db2.gz ZCEIUKFLKLZGAQ-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CCOc1cc(CC)cc([N+](=O)[O-])c1O ZINC000575695246 387394762 /nfs/dbraw/zinc/39/47/62/387394762.db2.gz HKKNQQSXLZPINJ-UHFFFAOYSA-N 0 0 211.217 2.262 10 5 BEBERN CCOc1c([N+](=O)[O-])ccc(F)c1OC ZINC000575697627 387394849 /nfs/dbraw/zinc/39/48/49/387394849.db2.gz YSVPEMBWJJYAMN-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CCOc1cc(F)cc(OC)c1[N+](=O)[O-] ZINC000575696787 387396564 /nfs/dbraw/zinc/39/65/64/387396564.db2.gz NLFKJQVUSPJCJI-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(CC)c1C=O ZINC000575696998 387397777 /nfs/dbraw/zinc/39/77/77/387397777.db2.gz PZJXAHNSXFHTBS-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CCOc1cc(CO)c(CC)c([N+](=O)[O-])c1 ZINC000575697094 387398392 /nfs/dbraw/zinc/39/83/92/387398392.db2.gz SYGXQYPMTRPNFW-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN CCOc1cc(C)c([N+](=O)[O-])cc1C=O ZINC000575698835 387402552 /nfs/dbraw/zinc/40/25/52/387402552.db2.gz LVDSHZVPYKJFKP-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN COc1cc(SC)cc([N+](=O)[O-])c1F ZINC000575708293 387412392 /nfs/dbraw/zinc/41/23/92/387412392.db2.gz MDSCCCHKDLVSBZ-UHFFFAOYSA-N 0 0 217.221 2.464 10 5 BEBERN CSc1c(C=O)cc(F)cc1[N+](=O)[O-] ZINC000575709617 387413913 /nfs/dbraw/zinc/41/39/13/387413913.db2.gz MGAJARMPGJYIOX-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN CSc1c(F)c([N+](=O)[O-])ccc1C=O ZINC000575709884 387413966 /nfs/dbraw/zinc/41/39/66/387413966.db2.gz ORRJOYBKROCEHB-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN COC(=O)c1cc(F)cc([N+](=O)[O-])c1Cl ZINC000575712943 387416548 /nfs/dbraw/zinc/41/65/48/387416548.db2.gz RSHZGECJCMLXLO-UHFFFAOYSA-N 0 0 233.582 2.174 10 5 BEBERN COC(=O)c1c(Cl)ccc(F)c1[N+](=O)[O-] ZINC000575712211 387417035 /nfs/dbraw/zinc/41/70/35/387417035.db2.gz GVFCQDXBUOKRNV-UHFFFAOYSA-N 0 0 233.582 2.174 10 5 BEBERN COc1c(N)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000575730048 387467302 /nfs/dbraw/zinc/46/73/02/387467302.db2.gz RHRPHUARZUFSEI-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1ccc([N+](=O)[O-])c(C(F)(F)F)c1N ZINC000575730502 387473287 /nfs/dbraw/zinc/47/32/87/387473287.db2.gz WNXBBMSCIPGWRN-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN O=[N+]([O-])c1ccc(F)c(OC(F)(F)F)n1 ZINC000238531644 387874666 /nfs/dbraw/zinc/87/46/66/387874666.db2.gz RCBFPCYSHHEPJZ-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN COc1cc(OC(F)F)c(OC)c([N+](=O)[O-])c1 ZINC000575653094 387894302 /nfs/dbraw/zinc/89/43/02/387894302.db2.gz USVIGBVLFZXATC-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN COc1cc(OC(F)F)c([N+](=O)[O-])cc1OC ZINC000575652344 387901100 /nfs/dbraw/zinc/90/11/00/387901100.db2.gz DRLSIIWRIUAYCP-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN COc1ccc(OC(F)F)c([N+](=O)[O-])c1OC ZINC000575652644 387902067 /nfs/dbraw/zinc/90/20/67/387902067.db2.gz JLFDSQMTZGPWED-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN COc1cc(OC(F)F)cc(F)c1[N+](=O)[O-] ZINC000575661361 387952117 /nfs/dbraw/zinc/95/21/17/387952117.db2.gz MOFNZEILNJUBFS-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN COC(Cc1cc(C)c(C)cc1[N+](=O)[O-])OC ZINC000238854452 388259128 /nfs/dbraw/zinc/25/91/28/388259128.db2.gz NTINPACVFBBNRY-UHFFFAOYSA-N 0 0 239.271 2.373 10 5 BEBERN C[C@H](CCCO)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000094944754 388437654 /nfs/dbraw/zinc/43/76/54/388437654.db2.gz QNNIXWAXYPOQMQ-MRVPVSSYSA-N 0 0 242.250 2.307 10 5 BEBERN CSC[C@@H](C)N(C)c1ncccc1[N+](=O)[O-] ZINC000301329469 388579769 /nfs/dbraw/zinc/57/97/69/388579769.db2.gz KCONVPDYNDQEOA-MRVPVSSYSA-N 0 0 241.316 2.178 10 5 BEBERN C/C=C/CCNc1ncccc1[N+](=O)[O-] ZINC000123777783 388734636 /nfs/dbraw/zinc/73/46/36/388734636.db2.gz FULXYXQUQQEOTI-NSCUHMNNSA-N 0 0 207.233 2.368 10 5 BEBERN C/C=C/CCNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302027730 388836305 /nfs/dbraw/zinc/83/63/05/388836305.db2.gz ITACAMDGJUFYLM-NSCUHMNNSA-N 0 0 236.271 2.465 10 5 BEBERN Cn1cc(Oc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000302310146 388842018 /nfs/dbraw/zinc/84/20/18/388842018.db2.gz PAIKKGDALUDNRE-UHFFFAOYSA-N 0 0 237.190 2.260 10 5 BEBERN Cc1c([N+](=O)[O-])nc(-c2ccc(F)cc2)n1C ZINC000005116122 177636571 /nfs/dbraw/zinc/63/65/71/177636571.db2.gz VPMGXXSJIWZZAY-UHFFFAOYSA-N 0 0 235.218 2.443 10 5 BEBERN O=[N+]([O-])c1cc(F)c(OCF)c(F)c1 ZINC000306898036 397948210 /nfs/dbraw/zinc/94/82/10/397948210.db2.gz VUICTBCDAPLXFL-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN CC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000034170324 166434631 /nfs/dbraw/zinc/43/46/31/166434631.db2.gz CGCFAZUWFVSIJD-UHFFFAOYSA-N 0 0 201.128 2.076 10 5 BEBERN CC(C)Nc1ncnc(NC(C)C)c1[N+](=O)[O-] ZINC000039287041 167151552 /nfs/dbraw/zinc/15/15/52/167151552.db2.gz VWHRDWLGMXFUPE-UHFFFAOYSA-N 0 0 239.279 2.025 10 5 BEBERN CC1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000008318493 168165132 /nfs/dbraw/zinc/16/51/32/168165132.db2.gz NKJDLGJYJUVIHW-UHFFFAOYSA-N 0 0 238.291 2.319 10 5 BEBERN CCNc1ncnc(N[C@@H](C)CC)c1[N+](=O)[O-] ZINC000040596599 170177907 /nfs/dbraw/zinc/17/79/07/170177907.db2.gz DKPLIPBXCVPCPC-ZETCQYMHSA-N 0 0 239.279 2.027 10 5 BEBERN CCOC(=O)c1c(N)c([N+](=O)[O-])ccc1Cl ZINC000037475446 170288621 /nfs/dbraw/zinc/28/86/21/170288621.db2.gz YYNZEEYUWLBWOF-UHFFFAOYSA-N 0 0 244.634 2.007 10 5 BEBERN CCOc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000039099208 170515846 /nfs/dbraw/zinc/51/58/46/170515846.db2.gz XGFBFNSBDRPARA-UHFFFAOYSA-N 0 0 203.144 2.272 10 5 BEBERN CC[C@@H]1Cc2cc([N+](=O)[O-])ccc2NC1=O ZINC000039102216 171144301 /nfs/dbraw/zinc/14/43/01/171144301.db2.gz LEPMRBRAWRVSIC-SSDOTTSWSA-N 0 0 220.228 2.116 10 5 BEBERN CC[C@@](C)(CCO)Nc1ncc([N+](=O)[O-])s1 ZINC000193923125 171166776 /nfs/dbraw/zinc/16/67/76/171166776.db2.gz FFQIZWVRMZYVBZ-VIFPVBQESA-N 0 0 245.304 2.014 10 5 BEBERN CC[C@H](C)Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC000004243360 171350133 /nfs/dbraw/zinc/35/01/33/171350133.db2.gz WLVLXRAGWVPOTF-YFKPBYRVSA-N 0 0 230.655 2.249 10 5 BEBERN CN(C)/C=C\c1cc(Cl)ncc1[N+](=O)[O-] ZINC000035239604 172352719 /nfs/dbraw/zinc/35/27/19/172352719.db2.gz ZKXSBZKRONWVMK-ARJAWSKDSA-N 0 0 227.651 2.176 10 5 BEBERN CNc1ccc([N+](=O)[O-])cc1OC1CC1 ZINC000095729324 173481365 /nfs/dbraw/zinc/48/13/65/173481365.db2.gz CBAJJVUVZHHSAI-UHFFFAOYSA-N 0 0 208.217 2.178 10 5 BEBERN COc1cc(N[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000082523548 175004442 /nfs/dbraw/zinc/00/44/42/175004442.db2.gz NHIJZQKDIICWHQ-VXNVDRBHSA-N 0 0 222.244 2.424 10 5 BEBERN COc1ccc(N[C@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000052291645 175155936 /nfs/dbraw/zinc/15/59/36/175155936.db2.gz PBLCPRJWKGAQEG-XCBNKYQSSA-N 0 0 222.244 2.424 10 5 BEBERN C[C@@H](NCc1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000038005533 175904271 /nfs/dbraw/zinc/90/42/71/175904271.db2.gz SBEMJZJCJAUYFG-SECBINFHSA-N 0 0 246.270 2.169 10 5 BEBERN C[C@H](Nc1ncc([N+](=O)[O-])cn1)c1ccco1 ZINC000040454630 176939271 /nfs/dbraw/zinc/93/92/71/176939271.db2.gz ZMEKVZFIGAHLRB-ZETCQYMHSA-N 0 0 234.215 2.151 10 5 BEBERN C[C@@H](Oc1cc([N+](=O)[O-])ccc1Cl)[C@H](C)O ZINC000087139284 177005390 /nfs/dbraw/zinc/00/53/90/177005390.db2.gz BEHCTDKTSLIZBR-NKWVEPMBSA-N 0 0 245.662 2.396 10 5 BEBERN C[C@H](O)[C@H](C)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC000229760160 177012414 /nfs/dbraw/zinc/01/24/14/177012414.db2.gz AMTKCVSYEFBPQG-BQBZGAKWSA-N 0 0 245.662 2.396 10 5 BEBERN C[C@H](O)[C@H](C)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000087139290 177012653 /nfs/dbraw/zinc/01/26/53/177012653.db2.gz BEHCTDKTSLIZBR-BQBZGAKWSA-N 0 0 245.662 2.396 10 5 BEBERN C[C@H]1CCCN1c1ccc(C=O)cc1[N+](=O)[O-] ZINC000037911263 177111836 /nfs/dbraw/zinc/11/18/36/177111836.db2.gz TWINFKYACVDZFY-VIFPVBQESA-N 0 0 234.255 2.396 10 5 BEBERN Cc1cc(N=S(C)(C)=O)ccc1[N+](=O)[O-] ZINC000536953054 323959598 /nfs/dbraw/zinc/95/95/98/323959598.db2.gz FEMMCHUOIRAKGO-UHFFFAOYSA-N 0 0 228.273 2.262 10 5 BEBERN CC[C@H](O)CCNc1cc(F)ccc1[N+](=O)[O-] ZINC000135080876 517827577 /nfs/dbraw/zinc/82/75/77/517827577.db2.gz CLNRXWQWQFEYDK-VIFPVBQESA-N 0 0 242.250 2.307 10 5 BEBERN CC1(C)[C@H](O)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000088179006 520681062 /nfs/dbraw/zinc/68/10/62/520681062.db2.gz ODRIPCLHMNNNND-WDEREUQCSA-N 0 0 221.256 2.469 10 5 BEBERN CC(=O)[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000111690954 582861097 /nfs/dbraw/zinc/86/10/97/582861097.db2.gz QDRUCJWDTLBRQD-NSHDSACASA-N 0 0 248.282 2.400 10 5 BEBERN COC(=O)/C=C(/C)c1cc([N+](=O)[O-])ccc1F ZINC000757191567 586435928 /nfs/dbraw/zinc/43/59/28/586435928.db2.gz IWTKGTSWYKRLPH-ALCCZGGFSA-N 0 0 239.202 2.310 10 5 BEBERN Cc1ccc(OC(=O)[C@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000120120504 589381334 /nfs/dbraw/zinc/38/13/34/589381334.db2.gz ZEESVHLNFNOMLO-IUCAKERBSA-N 0 0 235.239 2.465 10 5 BEBERN Cc1cc(N[C@H](C)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000309942260 632685932 /nfs/dbraw/zinc/68/59/32/632685932.db2.gz BZBMOVNCGBEJQG-RKDXNWHRSA-N 0 0 224.260 2.084 10 5 BEBERN O=C(OC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000032218252 641776665 /nfs/dbraw/zinc/77/66/65/641776665.db2.gz OOTUTDQAOLBOQG-UHFFFAOYSA-N 0 0 221.212 2.304 10 5 BEBERN CSCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000058818254 644165182 /nfs/dbraw/zinc/16/51/82/644165182.db2.gz PGKBFVPIDFVXEM-UHFFFAOYSA-N 0 0 241.268 2.001 10 5 BEBERN CSC1CC(Nc2ncccc2[N+](=O)[O-])C1 ZINC000708245319 712184481 /nfs/dbraw/zinc/18/44/81/712184481.db2.gz YBMQCFBCVUMDMO-UHFFFAOYSA-N 0 0 239.300 2.296 10 5 BEBERN CC[N+]1(C)CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000005337594 717099312 /nfs/dbraw/zinc/09/93/12/717099312.db2.gz XDDXSXNGLRWQBS-UHFFFAOYSA-O 0 0 248.346 2.269 10 5 BEBERN C=C(OCC)c1nc(Cl)ncc1[N+](=O)[O-] ZINC000685965054 538911496 /nfs/dbraw/zinc/91/14/96/538911496.db2.gz MIVRSTJFYGZMTR-UHFFFAOYSA-N 0 0 229.623 2.045 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(Br)c1N ZINC000307422082 398164619 /nfs/dbraw/zinc/16/46/19/398164619.db2.gz BSWAXIRBGYMCQQ-UHFFFAOYSA-N 0 0 231.049 2.248 10 5 BEBERN Cc1c(Cl)cc([N+](=O)[O-])cc1CO ZINC000307443760 398167077 /nfs/dbraw/zinc/16/70/77/398167077.db2.gz BYUICHMNKADJMC-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN COc1c(F)c(F)cc([N+](=O)[O-])c1F ZINC000306814554 398205168 /nfs/dbraw/zinc/20/51/68/398205168.db2.gz CBFNMLNLCZVCTC-UHFFFAOYSA-N 0 0 207.107 2.021 10 5 BEBERN Cc1cc(N[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000271339747 178190586 /nfs/dbraw/zinc/19/05/86/178190586.db2.gz RIDZEJZPCKLGPR-CMPLNLGQSA-N 0 0 236.271 2.229 10 5 BEBERN Cc1cc(N[C@H]2C[C@H]2C)ncc1[N+](=O)[O-] ZINC000073000388 178192569 /nfs/dbraw/zinc/19/25/69/178192569.db2.gz KYHHHBRYFBKJRP-SVRRBLITSA-N 0 0 207.233 2.119 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)C ZINC000111769126 178271506 /nfs/dbraw/zinc/27/15/06/178271506.db2.gz YGTGEXLXAJDWPS-UHFFFAOYSA-N 0 0 236.271 2.432 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1NCc1cnccn1 ZINC000054766133 178272237 /nfs/dbraw/zinc/27/22/37/178272237.db2.gz WAJRIBHEHRDPTJ-UHFFFAOYSA-N 0 0 244.254 2.305 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1NCc1ncc[nH]1 ZINC000049715175 178272645 /nfs/dbraw/zinc/27/26/45/178272645.db2.gz MRHLLZBSSLGPOG-UHFFFAOYSA-N 0 0 232.243 2.238 10 5 BEBERN O=[N+]([O-])c1cccc2c(Cl)cnnc21 ZINC000196399866 398259174 /nfs/dbraw/zinc/25/91/74/398259174.db2.gz AWJCTBUJNXLTTL-UHFFFAOYSA-N 0 0 209.592 2.191 10 5 BEBERN O=c1c2ccccc2c2c(=O)c3ccccc3c1=2 ZINC000001730090 342711558 /nfs/dbraw/zinc/71/15/58/342711558.db2.gz XHXZQUDEFAEGAZ-UHFFFAOYSA-N 0 0 232.238 2.314 10 5 BEBERN O=c1ccc2nc3cc([N+](=O)[O-])ccc3[nH]c-2c1 ZINC000575434403 398327792 /nfs/dbraw/zinc/32/77/92/398327792.db2.gz VGUBTLBEPLTPIZ-UHFFFAOYSA-N 0 0 241.206 2.397 10 5 BEBERN CCOc1cc(OC)c([N+](=O)[O-])cc1C ZINC000039099764 343155249 /nfs/dbraw/zinc/15/52/49/343155249.db2.gz PSDSXJZFSNSSIE-UHFFFAOYSA-N 0 0 211.217 2.311 10 5 BEBERN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@](C)(F)C1 ZINC000408048934 133467722 /nfs/dbraw/zinc/46/77/22/133467722.db2.gz SGCRVFCVPIQGTJ-LLVKDONJSA-N 0 0 239.250 2.237 10 5 BEBERN O=C1CCCC[C@@H](Cc2ccc([N+](=O)[O-])cc2)N1 ZINC000044710228 343512103 /nfs/dbraw/zinc/51/21/03/343512103.db2.gz RPMRYTUFZUKBQL-NSHDSACASA-N 0 0 248.282 2.196 10 5 BEBERN C=CC[C@H]([C@H](O)CCCCC)[N+](=O)[O-] ZINC000205848368 343656170 /nfs/dbraw/zinc/65/61/70/343656170.db2.gz PIBBVLLDMUPAPK-NXEZZACHSA-N 0 0 201.266 2.149 10 5 BEBERN C=CC(=O)OCc1c(Cl)cccc1[N+](=O)[O-] ZINC000033607557 344868357 /nfs/dbraw/zinc/86/83/57/344868357.db2.gz XXUNKTOVRVXXGY-UHFFFAOYSA-N 0 0 241.630 2.477 10 5 BEBERN Cc1[nH]c(-c2ccc(F)cc2)nc1[N+](=O)[O-] ZINC000005116120 344949494 /nfs/dbraw/zinc/94/94/94/344949494.db2.gz CSWDWMZPZDWCGP-UHFFFAOYSA-N 0 0 221.191 2.432 10 5 BEBERN Cc1cccc(NCC2CC(O)C2)c1[N+](=O)[O-] ZINC000235932751 346172028 /nfs/dbraw/zinc/17/20/28/346172028.db2.gz QEJRTKDDHAJELA-UHFFFAOYSA-N 0 0 236.271 2.086 10 5 BEBERN Cc1ccc2c(c1)nc(N)c1ncc(CO)cc21 ZINC000115019878 346185979 /nfs/dbraw/zinc/18/59/79/346185979.db2.gz CAXWGRVWGVTMPC-UHFFFAOYSA-N 0 0 239.278 2.166 10 5 BEBERN O=[N+]([O-])c1ccc2[nH]c(NCC(F)F)nc2c1 ZINC000136605651 346250512 /nfs/dbraw/zinc/25/05/12/346250512.db2.gz NDCHCJXWFBGART-UHFFFAOYSA-N 0 0 242.185 2.148 10 5 BEBERN O=[N+]([O-])C1(CCCO)C2CC3CC(C2)CC1C3 ZINC000034417309 346267836 /nfs/dbraw/zinc/26/78/36/346267836.db2.gz ZPGKREYPALEVLL-UHFFFAOYSA-N 0 0 239.315 2.231 10 5 BEBERN Cc1c(-c2ccncc2F)cncc1[N+](=O)[O-] ZINC000725242659 537985986 /nfs/dbraw/zinc/98/59/86/537985986.db2.gz QWGSDYGLMBCLER-UHFFFAOYSA-N 0 0 233.202 2.499 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1N[C@H]1CCO[C@@H]1C ZINC000134267108 179206822 /nfs/dbraw/zinc/20/68/22/179206822.db2.gz PPLKDUTYKCTVBG-ZJUUUORDSA-N 0 0 236.271 2.493 10 5 BEBERN Cc1cccc2c1ncc1c2sc(N)nc1=O ZINC000045928544 179225658 /nfs/dbraw/zinc/22/56/58/179225658.db2.gz LKIVCCWUDRWPHE-UHFFFAOYSA-N 0 0 243.291 2.095 10 5 BEBERN O=[N+]([O-])C1([N+](=O)[O-])C=CC(c2ccccc2)=CC1 ZINC000149871818 347540270 /nfs/dbraw/zinc/54/02/70/347540270.db2.gz LRFIEBBRCOXHRI-UHFFFAOYSA-N 0 0 246.222 2.280 10 5 BEBERN O=[N+]([O-])c1cnccc1-c1ccc(F)nc1 ZINC000616569787 347832913 /nfs/dbraw/zinc/83/29/13/347832913.db2.gz NGJFYNTUEJFVIQ-UHFFFAOYSA-N 0 0 219.175 2.191 10 5 BEBERN O=c1[nH]ccc(N[C@@H]2CCC[C@H]3C[C@H]32)c1[N+](=O)[O-] ZINC000596290890 348488838 /nfs/dbraw/zinc/48/88/38/348488838.db2.gz FZBBQOOCBNHLTF-DJLDLDEBSA-N 0 0 249.270 2.296 10 5 BEBERN Cc1ccc(-n2cc([N+](=O)[O-])cn2)cc1 ZINC000034543621 348627202 /nfs/dbraw/zinc/62/72/02/348627202.db2.gz CPRVBKIHPJJLTQ-UHFFFAOYSA-N 0 0 203.201 2.089 10 5 BEBERN CC(=O)Nc1ccc(F)c(Cl)c1[N+](=O)[O-] ZINC000198718290 348918446 /nfs/dbraw/zinc/91/84/46/348918446.db2.gz RLSHELPDUIMGQX-UHFFFAOYSA-N 0 0 232.598 2.346 10 5 BEBERN Cc1nc(N[C@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000161545762 180025384 /nfs/dbraw/zinc/02/53/84/180025384.db2.gz JYPYGCCDNYMMOA-SVRRBLITSA-N 0 0 207.233 2.119 10 5 BEBERN Cc1nc(N[C@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000161545524 180025666 /nfs/dbraw/zinc/02/56/66/180025666.db2.gz JYPYGCCDNYMMOA-XPUUQOCRSA-N 0 0 207.233 2.119 10 5 BEBERN O=[N+]([O-])c1ccc2[nH]nc(Cl)c2c1F ZINC000014985865 350228624 /nfs/dbraw/zinc/22/86/24/350228624.db2.gz ISHYOBPRDANSPV-UHFFFAOYSA-N 0 0 215.571 2.264 10 5 BEBERN Cc1nn([C@@H]2CCC[C@@H](C)C2)c(N)c1[N+](=O)[O-] ZINC000043670305 180391944 /nfs/dbraw/zinc/39/19/44/180391944.db2.gz QZUMPCOYXCQOGM-VXNVDRBHSA-N 0 0 238.291 2.433 10 5 BEBERN Cc1nn(CCC(C)(C)C)c(N)c1[N+](=O)[O-] ZINC000061839627 180388335 /nfs/dbraw/zinc/38/83/35/180388335.db2.gz GMSRQXUKPRPOHV-UHFFFAOYSA-N 0 0 226.280 2.118 10 5 BEBERN CCN(CC)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000009239667 187475540 /nfs/dbraw/zinc/47/55/40/187475540.db2.gz GAIBXTKNUDDQMR-UHFFFAOYSA-N 0 0 222.244 2.254 10 5 BEBERN CC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000034973020 351370752 /nfs/dbraw/zinc/37/07/52/351370752.db2.gz MFFUGAWBBYNWFJ-GHMZBOCLSA-N 0 0 205.213 2.287 10 5 BEBERN Cc1cc(Br)c(CO)cc1[N+](=O)[O-] ZINC000306985591 351402486 /nfs/dbraw/zinc/40/24/86/351402486.db2.gz WPQCQBHKKYKDMV-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN Cc1ccc(Br)c([N+](=O)[O-])c1C=O ZINC000307039421 351437502 /nfs/dbraw/zinc/43/75/02/351437502.db2.gz HIHBBOKVDWGDRW-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN O=[N+]([O-])c1c(Cl)ccc(Cl)c1CO ZINC000307019046 351423903 /nfs/dbraw/zinc/42/39/03/351423903.db2.gz UOFIPZWQYGTFSU-UHFFFAOYSA-N 0 0 222.027 2.394 10 5 BEBERN O=[N+]([O-])c1c(F)c(F)ccc1OCF ZINC000307296170 351905892 /nfs/dbraw/zinc/90/58/92/351905892.db2.gz QISYONNIOBRMJN-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN O=[N+]([O-])c1ccc(CO)c(Cl)c1Cl ZINC000307310932 351987285 /nfs/dbraw/zinc/98/72/85/351987285.db2.gz QNEHLVNWQSMWPB-UHFFFAOYSA-N 0 0 222.027 2.394 10 5 BEBERN Cc1cnc([N+](=O)[O-])cc1Br ZINC000307356635 352329871 /nfs/dbraw/zinc/32/98/71/352329871.db2.gz ZNBPNDBRKKRADG-UHFFFAOYSA-N 0 0 217.022 2.061 10 5 BEBERN O=[N+]([O-])c1c[nH]c2nc(Br)ccc12 ZINC000044712806 352384290 /nfs/dbraw/zinc/38/42/90/352384290.db2.gz LVHQFOBVLMDZBH-UHFFFAOYSA-N 0 0 242.032 2.234 10 5 BEBERN C[C@H](c1ccccc1)n1cc([N+](=O)[O-])cn1 ZINC000067799734 187757211 /nfs/dbraw/zinc/75/72/11/187757211.db2.gz CINRUYHUDGRQEK-SECBINFHSA-N 0 0 217.228 2.401 10 5 BEBERN Cc1cc([N+](=O)[O-])cc(CO)c1Br ZINC000307553807 352648554 /nfs/dbraw/zinc/64/85/54/352648554.db2.gz FVHWISCFMMPWAH-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN O=Cc1c(F)cc([N+](=O)[O-])cc1Br ZINC000307559559 352649474 /nfs/dbraw/zinc/64/94/74/352649474.db2.gz OTNYQVSRVUESEQ-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN Cc1ccc(CO)c(Cl)c1[N+](=O)[O-] ZINC000307501656 352629450 /nfs/dbraw/zinc/62/94/50/352629450.db2.gz NPZNPZRKZOVGET-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN Cc1cc([N+](=O)[O-])c(Br)cc1C=O ZINC000307523035 352634284 /nfs/dbraw/zinc/63/42/84/352634284.db2.gz CULOGMNGOGTXFK-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN CC(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000162393 188098968 /nfs/dbraw/zinc/09/89/68/188098968.db2.gz GUSAZEAOPZVXBH-UHFFFAOYSA-N 0 0 215.592 2.174 10 5 BEBERN CC(=O)CCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000037979511 188463760 /nfs/dbraw/zinc/46/37/60/188463760.db2.gz CTYCBOBAVJFVPE-UHFFFAOYSA-N 0 0 223.228 2.261 10 5 BEBERN N=C(N)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000001818 181194034 /nfs/dbraw/zinc/19/40/34/181194034.db2.gz FYUZOMGBPKUZNJ-UHFFFAOYSA-N 0 0 231.211 2.139 10 5 in-man BEBERN COc1cccc(N[C@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000129695137 355876807 /nfs/dbraw/zinc/87/68/07/355876807.db2.gz SHMUHLLBTQGKJF-APPZFPTMSA-N 0 0 222.244 2.424 10 5 BEBERN Nc1ccc2[nH]c(=O)c3ccccc3c2c1 ZINC000017425942 363533909 /nfs/dbraw/zinc/53/39/09/363533909.db2.gz YMTIEBMDXHJRKO-UHFFFAOYSA-N 0 0 210.236 2.264 10 5 BEBERN N[C@H](c1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000035379685 357210321 /nfs/dbraw/zinc/21/03/21/357210321.db2.gz FAAISYSIKOEFLU-SECBINFHSA-N 0 0 224.241 2.297 10 5 BEBERN Cn1ccc(-c2cc([N+](=O)[O-])ccc2F)n1 ZINC000685946460 538888292 /nfs/dbraw/zinc/88/82/92/538888292.db2.gz KXNZIVWXAZDNLU-UHFFFAOYSA-N 0 0 221.191 2.134 10 5 BEBERN CCOP(=O)(OCC)[C@@H](C1CC1)[N+](=O)[O-] ZINC000584601822 358259498 /nfs/dbraw/zinc/25/94/98/358259498.db2.gz DGWCPYCNTRIIFA-QMMMGPOBSA-N 0 0 237.192 2.265 10 5 BEBERN Cc1nc2c(cc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000584625936 358295253 /nfs/dbraw/zinc/29/52/53/358295253.db2.gz MGYGWDXHMWMQMV-UHFFFAOYSA-N 0 0 239.212 2.421 10 5 BEBERN Cc1nc2ccc3ncnc4ccc(n1)c2c34 ZINC000584626534 358295808 /nfs/dbraw/zinc/29/58/08/358295808.db2.gz IECVSZQAXAARKQ-UHFFFAOYSA-N 0 0 220.235 2.472 10 5 BEBERN CC[C@]1(C)c2cc([N+](=O)[O-])ccc2N(C)C1=O ZINC000584631983 358314089 /nfs/dbraw/zinc/31/40/89/358314089.db2.gz DKZDSCQJNSZQQK-GFCCVEGCSA-N 0 0 234.255 2.239 10 5 BEBERN O=[N+]([O-])c1ccc(Cl)c(Br)n1 ZINC000306612590 360883496 /nfs/dbraw/zinc/88/34/96/360883496.db2.gz ITUDPGHWJTUYHZ-UHFFFAOYSA-N 0 0 237.440 2.406 10 5 BEBERN Cc1ccc(OC(F)(F)F)nc1[N+](=O)[O-] ZINC000238463914 361086645 /nfs/dbraw/zinc/08/66/45/361086645.db2.gz DRKZAUKURVHGCI-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN O=[N+]([O-])c1cncc(OC(F)(F)F)c1F ZINC000238565958 361153524 /nfs/dbraw/zinc/15/35/24/361153524.db2.gz KSJPYXJGSKUXKH-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=C(c1ccc([N+](=O)[O-])o1)[C@H]1CCCS1 ZINC000069985212 361320380 /nfs/dbraw/zinc/32/03/80/361320380.db2.gz LKYDQRULQYIKKO-SSDOTTSWSA-N 0 0 227.241 2.266 10 5 BEBERN O=[N+]([O-])c1cc(CF)ncc1OC(F)(F)F ZINC000381384625 361386585 /nfs/dbraw/zinc/38/65/85/361386585.db2.gz LOTGBNXAPHEYDX-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN CCCS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000115986073 368342552 /nfs/dbraw/zinc/34/25/52/368342552.db2.gz KNJPDBYNNWJOCL-UHFFFAOYSA-N 0 0 243.284 2.087 10 5 BEBERN COc1ccc2c(c1)nc(N)c1ncccc21 ZINC000115014341 368967428 /nfs/dbraw/zinc/96/74/28/368967428.db2.gz CFWMSINQSCAIHG-UHFFFAOYSA-N 0 0 225.251 2.374 10 5 BEBERN Cn1c2ccc3ncccc3c2nc1[N+](=O)[O-] ZINC000022063448 371516099 /nfs/dbraw/zinc/51/60/99/371516099.db2.gz JQICQDTZNZTBEZ-UHFFFAOYSA-N 0 0 228.211 2.030 10 5 in-vitro BEBERN Nc1nc(/C=C/c2ccc([N+](=O)[O-])o2)cs1 ZINC000005162024 181779038 /nfs/dbraw/zinc/77/90/38/181779038.db2.gz PJXJAGDUUTVQRV-OWOJBTEDSA-N 0 0 237.240 2.397 10 5 BEBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H](O)C2)cc1 ZINC000603865716 371937961 /nfs/dbraw/zinc/93/79/61/371937961.db2.gz MZLLGXHUFBEYSF-JQWIXIFHSA-N 0 0 236.271 2.310 10 5 BEBERN COc1cc([N+](=O)[O-])cc(OC(F)F)c1OC ZINC000059306611 372163164 /nfs/dbraw/zinc/16/31/64/372163164.db2.gz KFJIRALNYMPWIT-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN Cc1cc(C=O)c([N+](=O)[O-])cc1Br ZINC000218557018 372126328 /nfs/dbraw/zinc/12/63/28/372126328.db2.gz GIPOXMMSLFPUJJ-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN Cc1cc(=O)oc2ccc([N+](=O)[O-])cc12 ZINC000008700306 372855267 /nfs/dbraw/zinc/85/52/67/372855267.db2.gz WBNLPGNFSHCCIS-UHFFFAOYSA-N 0 0 205.169 2.010 10 5 BEBERN Cc1ccc(Br)nc1[N+](=O)[O-] ZINC000141383294 372939928 /nfs/dbraw/zinc/93/99/28/372939928.db2.gz PYLZZZFXSCZSQT-UHFFFAOYSA-N 0 0 217.022 2.061 10 5 BEBERN O=[N+]([O-])c1ccc2nccnc2c1Cl ZINC000082374761 182942567 /nfs/dbraw/zinc/94/25/67/182942567.db2.gz BFRVNJRCCVCPPR-UHFFFAOYSA-N 0 0 209.592 2.191 10 5 BEBERN O=c1c2cccc3[nH]c(=O)c4cccc1c4c23 ZINC000021984601 182974131 /nfs/dbraw/zinc/97/41/31/182974131.db2.gz DCGBUHBFDIJJLN-UHFFFAOYSA-N 0 0 221.215 2.070 10 5 BEBERN O=c1[nH]c2ccccc2c2ccc(O)cc12 ZINC000075620263 182974366 /nfs/dbraw/zinc/97/43/66/182974366.db2.gz CVKWKDYDNQMKTQ-UHFFFAOYSA-N 0 0 211.220 2.387 10 5 BEBERN O=c1c2ccc(O)cc2oc2ccc(O)cc21 ZINC000013838948 182988146 /nfs/dbraw/zinc/98/81/46/182988146.db2.gz UHFHFHSHVGUMIQ-UHFFFAOYSA-N 0 0 228.203 2.357 10 5 BEBERN CCCNc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000035052231 169294308 /nfs/dbraw/zinc/29/43/08/169294308.db2.gz UDFNVMRXJURUFC-UHFFFAOYSA-N 0 0 224.216 2.145 10 5 BEBERN CCCc1nc([N+](=O)[O-])ccc1OCC ZINC000039099707 169593241 /nfs/dbraw/zinc/59/32/41/169593241.db2.gz VJJQYNACQUJAGU-UHFFFAOYSA-N 0 0 210.233 2.341 10 5 BEBERN Cc1ccnc(N[C@@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000070062794 384216808 /nfs/dbraw/zinc/21/68/08/384216808.db2.gz TZEYEVCUEVZBNX-JGVFFNPUSA-N 0 0 207.233 2.119 10 5 BEBERN CC[C@@H](CCO)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000134438742 384324810 /nfs/dbraw/zinc/32/48/10/384324810.db2.gz JWZNLYOPGOBLQL-VIFPVBQESA-N 0 0 242.250 2.307 10 5 BEBERN COc1c(C(F)F)cc(C=O)cc1[N+](=O)[O-] ZINC000575671750 384464184 /nfs/dbraw/zinc/46/41/84/384464184.db2.gz MEILASFEXXTEFV-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN CCOC(=O)c1cc(OC)c([N+](=O)[O-])cc1C ZINC000575675909 384480837 /nfs/dbraw/zinc/48/08/37/384480837.db2.gz ZPCCELBEQITWLD-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN COc1cc(C(C)C)c(O)cc1[N+](=O)[O-] ZINC000116342258 384488537 /nfs/dbraw/zinc/48/85/37/384488537.db2.gz HUUDXEIHFALCFY-UHFFFAOYSA-N 0 0 211.217 2.432 10 5 BEBERN CCOC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000044416372 384683088 /nfs/dbraw/zinc/68/30/88/384683088.db2.gz ZFAIWGNOEGAERB-SECBINFHSA-N 0 0 224.260 2.432 10 5 BEBERN C=CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000021993591 384721306 /nfs/dbraw/zinc/72/13/06/384721306.db2.gz ZNSHCDBSIGGBER-UHFFFAOYSA-N 0 0 206.201 2.028 10 5 BEBERN O=[N+]([O-])c1cnc2cccc(Br)n21 ZINC000095093373 384820386 /nfs/dbraw/zinc/82/03/86/384820386.db2.gz YXZPCMFBRFEPSC-UHFFFAOYSA-N 0 0 242.032 2.005 10 5 BEBERN O=[N+]([O-])c1ccccc1CNc1ncns1 ZINC000083668272 384808253 /nfs/dbraw/zinc/80/82/53/384808253.db2.gz GTEKPHDPNXUFEV-UHFFFAOYSA-N 0 0 236.256 2.058 10 5 BEBERN COc1cc(C(F)(F)F)c([N+](=O)[O-])cc1N ZINC000575730140 384923768 /nfs/dbraw/zinc/92/37/68/384923768.db2.gz UGQMDBRTOCAPLP-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN Cc1cc(N2CC[C@@](C)(F)C2)ncc1[N+](=O)[O-] ZINC000408048708 385177584 /nfs/dbraw/zinc/17/75/84/385177584.db2.gz OQYAIMGMRNLNOG-LLVKDONJSA-N 0 0 239.250 2.237 10 5 BEBERN O=[N+]([O-])c1c(Cl)ncnc1NC1CCC1 ZINC000052213533 385708314 /nfs/dbraw/zinc/70/83/14/385708314.db2.gz UKAYULQVCDMBOX-UHFFFAOYSA-N 0 0 228.639 2.003 10 5 BEBERN C[C@H]1C[C@H]1Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000052297879 385721322 /nfs/dbraw/zinc/72/13/22/385721322.db2.gz XLZUKJHMKWXFCK-NTSWFWBYSA-N 0 0 227.651 2.464 10 5 BEBERN CCC1=Cc2cc([N+](=O)[O-])cc(C)c2O[C@H]1O ZINC000211674264 386198348 /nfs/dbraw/zinc/19/83/48/386198348.db2.gz ARPXNEDEUSGZDW-GFCCVEGCSA-N 0 0 235.239 2.407 10 5 BEBERN CC(=O)c1ccc(-n2ccnc2C)c([N+](=O)[O-])c1 ZINC000019871218 386790216 /nfs/dbraw/zinc/79/02/16/386790216.db2.gz VQVGAGOIUVQKOJ-UHFFFAOYSA-N 0 0 245.238 2.292 10 5 BEBERN COCc1cc([N+](=O)[O-])ccc1NCC(F)F ZINC000301469744 386847818 /nfs/dbraw/zinc/84/78/18/386847818.db2.gz IHSLSYARLFKYBN-UHFFFAOYSA-N 0 0 246.213 2.418 10 5 BEBERN CCOC(=O)Cc1cc(F)cc([N+](=O)[O-])c1C ZINC000575397272 386998555 /nfs/dbraw/zinc/99/85/55/386998555.db2.gz MBEHTAYATVHDQD-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOC(=O)Cc1cc(C)cc([N+](=O)[O-])c1F ZINC000575397285 386998826 /nfs/dbraw/zinc/99/88/26/386998826.db2.gz VRZJYCAETZTXSE-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOc1cc(OC(F)F)c([N+](=O)[O-])cc1O ZINC000575657853 387044579 /nfs/dbraw/zinc/04/45/79/387044579.db2.gz MMGWZCLJTYSOMP-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN CCOc1cc(OC(F)F)c(O)c([N+](=O)[O-])c1 ZINC000575658825 387045464 /nfs/dbraw/zinc/04/54/64/387045464.db2.gz SLJJRURJWUPFDY-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN CCc1c(CO)cc([N+](=O)[O-])cc1OC(F)F ZINC000575658650 387047175 /nfs/dbraw/zinc/04/71/75/387047175.db2.gz HEUSWQPOYFXWJL-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CCc1cc([N+](=O)[O-])cc(OC(F)F)c1O ZINC000575659314 387050510 /nfs/dbraw/zinc/05/05/10/387050510.db2.gz FSAMCDYOODRHNL-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(OC(F)F)cc1O ZINC000575659734 387052129 /nfs/dbraw/zinc/05/21/29/387052129.db2.gz XQOOXYYFLCTFGT-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN CCc1cc(CO)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575659983 387052392 /nfs/dbraw/zinc/05/23/92/387052392.db2.gz QXBZJRWSMXZOGS-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN O=[N+]([O-])c1cnc2sncc2c1Cl ZINC000575472324 387102829 /nfs/dbraw/zinc/10/28/29/387102829.db2.gz SKWUGBKCUUZAGV-UHFFFAOYSA-N 0 0 215.621 2.253 10 5 BEBERN O=Cc1ccc(OC(F)F)c([N+](=O)[O-])c1F ZINC000575661714 387112002 /nfs/dbraw/zinc/11/20/02/387112002.db2.gz VGJJTDDBPZPVIR-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN O=Cc1cc(OC(F)F)c([N+](=O)[O-])cc1F ZINC000575661971 387164376 /nfs/dbraw/zinc/16/43/76/387164376.db2.gz XRGLYCVYQIZLDG-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN Cc1cc(C=O)cc([N+](=O)[O-])c1OC(F)F ZINC000575665908 387314998 /nfs/dbraw/zinc/31/49/98/387314998.db2.gz FVZNOOQHNZNVJC-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN CCOc1cc(CO)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575665693 387315642 /nfs/dbraw/zinc/31/56/42/387315642.db2.gz GIGCFUGNMADVLZ-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN CCN(CC)c1n[nH]c2cccc([N+](=O)[O-])c21 ZINC000089195852 387258824 /nfs/dbraw/zinc/25/88/24/387258824.db2.gz UEVOANYICVHHHP-UHFFFAOYSA-N 0 0 234.259 2.317 10 5 BEBERN COc1cc(OC(F)F)cc(C=O)c1[N+](=O)[O-] ZINC000575666553 387317216 /nfs/dbraw/zinc/31/72/16/387317216.db2.gz VYUNAUFNOZQBHB-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN COc1ccc(OC(F)F)c([N+](=O)[O-])c1C=O ZINC000575666457 387317737 /nfs/dbraw/zinc/31/77/37/387317737.db2.gz VMDCRDYNUKZQFU-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN Cc1cc(OC(F)F)c(O)cc1[N+](=O)[O-] ZINC000575667524 387321371 /nfs/dbraw/zinc/32/13/71/387321371.db2.gz OKUGVBXQFTZJPZ-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(C(F)F)cc1CO ZINC000575667648 387323480 /nfs/dbraw/zinc/32/34/80/387323480.db2.gz TVKNAASSWVELKN-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN CCOc1c(C(F)F)ccc(CO)c1[N+](=O)[O-] ZINC000575667646 387323809 /nfs/dbraw/zinc/32/38/09/387323809.db2.gz TUXWVFCDJILLJF-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN O=[N+]([O-])c1cc(F)c(C(F)F)c(CO)c1 ZINC000575669574 387329810 /nfs/dbraw/zinc/32/98/10/387329810.db2.gz CYUACWLNEUSTDK-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN COc1cc(CO)cc(C(F)F)c1[N+](=O)[O-] ZINC000575671405 387335128 /nfs/dbraw/zinc/33/51/28/387335128.db2.gz KCBINTQKFZUOPS-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN COc1c(C(F)F)ccc(CO)c1[N+](=O)[O-] ZINC000575672207 387338315 /nfs/dbraw/zinc/33/83/15/387338315.db2.gz SVFINCBIFSMDRW-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN COc1c(C(F)F)cc(CO)cc1[N+](=O)[O-] ZINC000575672250 387338529 /nfs/dbraw/zinc/33/85/29/387338529.db2.gz VQQPXSXFVWEERN-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN CCOC(=O)c1cc([N+](=O)[O-])c(OC)cc1C ZINC000575673240 387340888 /nfs/dbraw/zinc/34/08/88/387340888.db2.gz GNZCQAHRAXQADV-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN CCOC(=O)c1c(OC)cc(C)cc1[N+](=O)[O-] ZINC000575673790 387343296 /nfs/dbraw/zinc/34/32/96/387343296.db2.gz OILQVIBIHBUJIM-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN Cc1cc([N+](=O)[O-])cc(C(N)=O)c1C(F)(F)F ZINC000575673609 387343407 /nfs/dbraw/zinc/34/34/07/387343407.db2.gz LLFQXVUDPUVPLV-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN CC(=O)c1cc(C(F)(F)F)c(N)cc1[N+](=O)[O-] ZINC000575719503 387423354 /nfs/dbraw/zinc/42/33/54/387423354.db2.gz DVNXPLYUECNPKO-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN CC(=O)c1cc(N)cc([N+](=O)[O-])c1Cl ZINC000575716259 387432405 /nfs/dbraw/zinc/43/24/05/387432405.db2.gz PFGZMRHXJJVSMK-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1cc(N)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575720275 387441540 /nfs/dbraw/zinc/44/15/40/387441540.db2.gz TWKRFUIXRYOIAE-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN Cc1ccc(OC(F)F)c(N)c1[N+](=O)[O-] ZINC000575721224 387443042 /nfs/dbraw/zinc/44/30/42/387443042.db2.gz KQVDGCUORLISJB-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Nc1cc([N+](=O)[O-])c(OC(F)F)cc1Cl ZINC000575722287 387444396 /nfs/dbraw/zinc/44/43/96/387444396.db2.gz LBSRUVBCTAWXDO-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Cc1cc(N)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575721612 387444883 /nfs/dbraw/zinc/44/48/83/387444883.db2.gz UCUNMKMATAPXOC-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Nc1c(Cl)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575722109 387445044 /nfs/dbraw/zinc/44/50/44/387445044.db2.gz FXSRWMZRLBGYCN-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Nc1cc(Cl)cc([N+](=O)[O-])c1OC(F)F ZINC000575722307 387445278 /nfs/dbraw/zinc/44/52/78/387445278.db2.gz MHNDQLYXGIRGKT-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Cc1cc([N+](=O)[O-])cc(N)c1OC(F)F ZINC000575721710 387445391 /nfs/dbraw/zinc/44/53/91/387445391.db2.gz XFJSXYKIOVUFBJ-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Nc1ccc(OC(F)F)c(Cl)c1[N+](=O)[O-] ZINC000575723085 387446524 /nfs/dbraw/zinc/44/65/24/387446524.db2.gz ZCCYMUGBDILWKL-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Nc1cc([N+](=O)[O-])c(Cl)cc1OC(F)F ZINC000575722635 387446597 /nfs/dbraw/zinc/44/65/97/387446597.db2.gz SHSQCRKMTHWOCY-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN CCOc1cc(C)c(OC)c([N+](=O)[O-])c1 ZINC000575698723 387390853 /nfs/dbraw/zinc/39/08/53/387390853.db2.gz GZQHLRKYJSFGIJ-UHFFFAOYSA-N 0 0 211.217 2.311 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(C)c1C=O ZINC000575698770 387391303 /nfs/dbraw/zinc/39/13/03/387391303.db2.gz JKZLWOGUPKMIDJ-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN CCOc1cc(CC)cc(CO)c1[N+](=O)[O-] ZINC000575697485 387391524 /nfs/dbraw/zinc/39/15/24/387391524.db2.gz WZTQKDLHNFCFEQ-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(C=O)c1CC ZINC000575697433 387391569 /nfs/dbraw/zinc/39/15/69/387391569.db2.gz WGEWARWHBSTGDB-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CCOc1cc(OC)cc(OC)c1[N+](=O)[O-] ZINC000575694685 387393840 /nfs/dbraw/zinc/39/38/40/387393840.db2.gz AYPJVHFFBKIPME-UHFFFAOYSA-N 0 0 227.216 2.011 10 5 BEBERN CCc1cc(OC)cc(OC)c1[N+](=O)[O-] ZINC000575695206 387393863 /nfs/dbraw/zinc/39/38/63/387393863.db2.gz GBFQFGNXSMLZOC-UHFFFAOYSA-N 0 0 211.217 2.174 10 5 BEBERN CCOc1cc(CC)c(O)c([N+](=O)[O-])c1 ZINC000575696279 387395419 /nfs/dbraw/zinc/39/54/19/387395419.db2.gz LJYIKYKXWMSZAL-UHFFFAOYSA-N 0 0 211.217 2.262 10 5 BEBERN CCOc1c(CO)cc(CC)cc1[N+](=O)[O-] ZINC000575695538 387395677 /nfs/dbraw/zinc/39/56/77/387395677.db2.gz KCMABJZTCDVNSY-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN CCc1ccc([N+](=O)[O-])c(OC)c1OC ZINC000575695761 387396241 /nfs/dbraw/zinc/39/62/41/387396241.db2.gz HFBFYTHOCHFSDD-UHFFFAOYSA-N 0 0 211.217 2.174 10 5 BEBERN CCOc1cc(CC)c(O)cc1[N+](=O)[O-] ZINC000575695507 387396288 /nfs/dbraw/zinc/39/62/88/387396288.db2.gz JNETWECOZYNEKJ-UHFFFAOYSA-N 0 0 211.217 2.262 10 5 BEBERN Cc1c(NCc2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000212311320 387396422 /nfs/dbraw/zinc/39/64/22/387396422.db2.gz PISQLTMOKRXPFW-UHFFFAOYSA-N 0 0 246.270 2.249 10 5 BEBERN CCOc1cc(CC)c(CO)c([N+](=O)[O-])c1 ZINC000575696451 387396912 /nfs/dbraw/zinc/39/69/12/387396912.db2.gz PEHLBIMGHXQCCF-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(CC)cc1O ZINC000575696410 387396951 /nfs/dbraw/zinc/39/69/51/387396951.db2.gz NKAHXEPERAXCJA-UHFFFAOYSA-N 0 0 211.217 2.262 10 5 BEBERN CCOc1cc(C)c(C=O)c([N+](=O)[O-])c1 ZINC000575698633 387397402 /nfs/dbraw/zinc/39/74/02/387397402.db2.gz BPUFKUKTEDKLOQ-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(C=O)cc1C ZINC000575698831 387402039 /nfs/dbraw/zinc/40/20/39/387402039.db2.gz LOAJRLHPTWBENR-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN CCOc1c(C=O)cc(C)cc1[N+](=O)[O-] ZINC000575698868 387402193 /nfs/dbraw/zinc/40/21/93/387402193.db2.gz MTCYKELAVXMUCP-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN COc1c(SC)cc(F)cc1[N+](=O)[O-] ZINC000575709371 387413478 /nfs/dbraw/zinc/41/34/78/387413478.db2.gz WUUBWGCJDNIOPW-UHFFFAOYSA-N 0 0 217.221 2.464 10 5 BEBERN O=[N+]([O-])c1cc(CO)cc(C(F)(F)F)c1F ZINC000575710394 387415033 /nfs/dbraw/zinc/41/50/33/387415033.db2.gz HFEPNVUBKBONKK-UHFFFAOYSA-N 0 0 239.124 2.245 10 5 BEBERN COC(=O)Cc1cc(Cl)cc([N+](=O)[O-])c1F ZINC000575713286 387417125 /nfs/dbraw/zinc/41/71/25/387417125.db2.gz WAPMQUJZUPFLNA-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COC(=O)c1cc(OC)cc([N+](=O)[O-])c1Cl ZINC000575712243 387417284 /nfs/dbraw/zinc/41/72/84/387417284.db2.gz CAHYKQTZMGSGIM-UHFFFAOYSA-N 0 0 245.618 2.043 10 5 BEBERN Cc1cnn(CCNc2ccccc2[N+](=O)[O-])c1 ZINC000105793932 387523824 /nfs/dbraw/zinc/52/38/24/387523824.db2.gz WMAKICGWVCJCIW-UHFFFAOYSA-N 0 0 246.270 2.212 10 5 BEBERN COc1cc(C=O)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575729617 387469785 /nfs/dbraw/zinc/46/97/85/387469785.db2.gz OHSOHFUAQNDTRS-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1cc(C(F)(F)F)c(C=O)cc1[N+](=O)[O-] ZINC000575731075 387473661 /nfs/dbraw/zinc/47/36/61/387473661.db2.gz YWXBETOFYRDAJA-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN Cc1cc(C(=O)N[C@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000075522306 387764088 /nfs/dbraw/zinc/76/40/88/387764088.db2.gz IJHJODLNKPQFEE-XVKPBYJWSA-N 0 0 234.255 2.041 10 5 BEBERN O=Cc1ccc(-c2cccc([N+](=O)[O-])c2)nc1 ZINC000002527542 388657625 /nfs/dbraw/zinc/65/76/25/388657625.db2.gz RVFLOJGSPYNECR-UHFFFAOYSA-N 0 0 228.207 2.469 10 5 BEBERN O=[N+]([O-])c1cc(-c2ncon2)ccc1Cl ZINC000096102599 388808668 /nfs/dbraw/zinc/80/86/68/388808668.db2.gz QSSXVPGTFJVJQH-UHFFFAOYSA-N 0 0 225.591 2.298 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(NCc2cncn2C)c1 ZINC000125816533 388808960 /nfs/dbraw/zinc/80/89/60/388808960.db2.gz KDDKKBOEVJRERQ-UHFFFAOYSA-N 0 0 246.270 2.249 10 5 BEBERN O=[N+]([O-])c1ccc(N2CC[C@@H]3CCC[C@H]32)nc1 ZINC000408362618 133476913 /nfs/dbraw/zinc/47/69/13/133476913.db2.gz PRWHTEVGCFKUKT-GXSJLCMTSA-N 0 0 233.271 2.369 10 5 BEBERN CCOC(=O)Oc1cc([N+](=O)[O-])cc(F)c1F ZINC000114928056 397890732 /nfs/dbraw/zinc/89/07/32/397890732.db2.gz OUGNBNVMKUTTND-UHFFFAOYSA-N 0 0 247.153 2.408 10 5 BEBERN O=[N+]([O-])c1ccc(-c2nnn3ccccc23)cc1 ZINC000584629551 398044155 /nfs/dbraw/zinc/04/41/55/398044155.db2.gz FKSPCOGFSKRRCJ-UHFFFAOYSA-N 0 0 240.222 2.305 10 5 BEBERN CC(=O)c1ccc([N+](=O)[O-])c(F)c1F ZINC000307174041 398004088 /nfs/dbraw/zinc/00/40/88/398004088.db2.gz SNLYFOOVVNJKLL-UHFFFAOYSA-N 0 0 201.128 2.076 10 5 BEBERN Cc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000075530095 398101866 /nfs/dbraw/zinc/10/18/66/398101866.db2.gz ISPXVZQIKVTQEH-WCBMZHEXSA-N 0 0 234.255 2.041 10 5 BEBERN CNc1cc(Oc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000147883726 398096816 /nfs/dbraw/zinc/09/68/16/398096816.db2.gz KORPRCBLGDHSOO-UHFFFAOYSA-N 0 0 246.226 2.219 10 5 BEBERN CC(C)[C@@H](C)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050454695 167386823 /nfs/dbraw/zinc/38/68/23/167386823.db2.gz SQXGTJYCXDNQBM-ZCFIWIBFSA-N 0 0 244.682 2.495 10 5 BEBERN CCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000103377576 168227674 /nfs/dbraw/zinc/22/76/74/168227674.db2.gz MUIMGXRJGRZLTL-MRVPVSSYSA-N 0 0 234.255 2.282 10 5 BEBERN CCOC(=O)C[C@]1(C[N+](=O)[O-])CC[C@@H](C)C1 ZINC000095347581 170234482 /nfs/dbraw/zinc/23/44/82/170234482.db2.gz RWQOCDVVKSXCMT-KOLCDFICSA-N 0 0 229.276 2.023 10 5 BEBERN CCOC(=O)c1ccc([N+](=O)[O-])c(OCC)c1 ZINC000000345696 170298177 /nfs/dbraw/zinc/29/81/77/170298177.db2.gz GULMPMFOOQNUTQ-UHFFFAOYSA-N 0 0 239.227 2.170 10 5 BEBERN CNC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000007570407 173317274 /nfs/dbraw/zinc/31/72/74/173317274.db2.gz MJNLKXSWGKSYSB-UHFFFAOYSA-N 0 0 245.691 2.164 10 5 BEBERN COc1ccc(NC(C)C)cc1[N+](=O)[O-] ZINC000041571590 175149276 /nfs/dbraw/zinc/14/92/76/175149276.db2.gz IJEDBKQPODADBO-UHFFFAOYSA-N 0 0 210.233 2.424 10 5 BEBERN COc1ccc2[nH]c3ccccc3c(=O)c2c1N ZINC000082305631 175201885 /nfs/dbraw/zinc/20/18/85/175201885.db2.gz KLNIKVXCLHKDDL-UHFFFAOYSA-N 0 0 240.262 2.272 10 5 BEBERN COc1ccc2c(C)cc(=O)oc2c1[N+](=O)[O-] ZINC000001571240 175203753 /nfs/dbraw/zinc/20/37/53/175203753.db2.gz RNDCIKCLBJMGAR-UHFFFAOYSA-N 0 0 235.195 2.018 10 5 BEBERN CS[C@H](C)CNc1ccncc1[N+](=O)[O-] ZINC000122645444 175564473 /nfs/dbraw/zinc/56/44/73/175564473.db2.gz KPZNMKHDHRYZFL-SSDOTTSWSA-N 0 0 227.289 2.153 10 5 BEBERN C[C@@H](c1cccs1)n1ncc([N+](=O)[O-])c1N ZINC000043669580 176033907 /nfs/dbraw/zinc/03/39/07/176033907.db2.gz AJTWRMTZIIJPFU-LURJTMIESA-N 0 0 238.272 2.044 10 5 BEBERN C[C@@H]1CCC[C@H](n2ncc([N+](=O)[O-])c2N)C1 ZINC000043669440 176147055 /nfs/dbraw/zinc/14/70/55/176147055.db2.gz XWURHPRNZDRAMZ-SFYZADRCSA-N 0 0 224.264 2.125 10 5 BEBERN C[C@@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227651178 176405939 /nfs/dbraw/zinc/40/59/39/176405939.db2.gz JFIOSODZZTVWFA-XRGYYRRGSA-N 0 0 227.651 2.464 10 5 BEBERN C[C@@H]1OCC[C@@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000147853611 176473292 /nfs/dbraw/zinc/47/32/92/176473292.db2.gz BGBROCMZWCMODV-CBAPKCEASA-N 0 0 240.234 2.323 10 5 BEBERN C[Si](C)(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000195854614 487799461 /nfs/dbraw/zinc/79/94/61/487799461.db2.gz OUWTUWYSQYPTTE-UHFFFAOYSA-N 0 0 231.274 2.418 10 5 BEBERN CC(=O)c1cc(C(C)=O)cc([N+](=O)[O-])c1 ZINC000095764571 517367683 /nfs/dbraw/zinc/36/76/83/517367683.db2.gz FCNQLDWFEQWBCR-UHFFFAOYSA-N 0 0 207.185 2.000 10 5 BEBERN O=[N+]([O-])c1cccnc1NCc1cscn1 ZINC000050932826 518203142 /nfs/dbraw/zinc/20/31/42/518203142.db2.gz KYJQSSOVDWZYIQ-UHFFFAOYSA-N 0 0 236.256 2.058 10 5 BEBERN O=C(OCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000008515357 588705750 /nfs/dbraw/zinc/70/57/50/588705750.db2.gz SATRSBSZQMHXRK-UHFFFAOYSA-N 0 0 249.144 2.314 10 5 BEBERN CCOc1cc(C(C)=O)cc([N+](=O)[O-])c1 ZINC000214945825 631275910 /nfs/dbraw/zinc/27/59/10/631275910.db2.gz MWCUTDNNWKNQPG-UHFFFAOYSA-N 0 0 209.201 2.196 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H](C)O)c1 ZINC000309945317 632685491 /nfs/dbraw/zinc/68/54/91/632685491.db2.gz DECOOOKNTUPXGN-IUCAKERBSA-N 0 0 224.260 2.084 10 5 BEBERN CCCOC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000106146831 635262898 /nfs/dbraw/zinc/26/28/98/635262898.db2.gz VHBMQOODWIGBSW-UHFFFAOYSA-N 0 0 223.228 2.091 10 5 BEBERN Cc1ccc(N[C@H](C)[C@H](C)O)c([N+](=O)[O-])c1 ZINC000336781413 635282790 /nfs/dbraw/zinc/28/27/90/635282790.db2.gz UPXHHECYIPYJTG-BDAKNGLRSA-N 0 0 224.260 2.084 10 5 BEBERN CSC1CC(Nc2cccnc2[N+](=O)[O-])C1 ZINC000708250063 712185116 /nfs/dbraw/zinc/18/51/16/712185116.db2.gz TZHQNJSFGNHQPZ-UHFFFAOYSA-N 0 0 239.300 2.296 10 5 BEBERN CSC1CC(Nc2ncc([N+](=O)[O-])s2)C1 ZINC000708299904 712185870 /nfs/dbraw/zinc/18/58/70/712185870.db2.gz FWOWPOMFKANJKR-UHFFFAOYSA-N 0 0 245.329 2.357 10 5 BEBERN O=[N+]([O-])c1ncn2c(C(F)(F)F)csc12 ZINC000034767377 136208879 /nfs/dbraw/zinc/20/88/79/136208879.db2.gz DTGGNXQIVYWJOA-UHFFFAOYSA-N 0 0 237.162 2.323 10 5 BEBERN Cc1cc(NCC[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000059538845 178161927 /nfs/dbraw/zinc/16/19/27/178161927.db2.gz WNWOGVJNZKBCFV-SECBINFHSA-N 0 0 224.260 2.086 10 5 BEBERN Cc1cc(NCc2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000038006662 178175452 /nfs/dbraw/zinc/17/54/52/178175452.db2.gz FASWNZZIBHOKAX-UHFFFAOYSA-N 0 0 232.243 2.238 10 5 BEBERN Cc1cc(Oc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000302310086 178216044 /nfs/dbraw/zinc/21/60/44/178216044.db2.gz OYOGCVZXDDJRML-UHFFFAOYSA-N 0 0 233.227 2.429 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)C ZINC000111769072 178270827 /nfs/dbraw/zinc/27/08/27/178270827.db2.gz RPQXYLBNJYLWPN-UHFFFAOYSA-N 0 0 236.271 2.289 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OC(C)C ZINC000101706924 178271532 /nfs/dbraw/zinc/27/15/32/178271532.db2.gz HVAVFDHRABCTLW-UHFFFAOYSA-N 0 0 223.228 2.468 10 5 BEBERN N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000309253991 398270403 /nfs/dbraw/zinc/27/04/03/398270403.db2.gz RPPLHJLOAZCLFS-SSDOTTSWSA-N 0 0 238.140 2.296 10 5 BEBERN CCCNc1cc([N+](=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000215917756 342694269 /nfs/dbraw/zinc/69/42/69/342694269.db2.gz FUVCWGHWCJYWFT-UHFFFAOYSA-N 0 0 243.194 2.464 10 5 BEBERN O=[N+]([O-])c1ccsc1N[C@H]1CCC[C@H](O)C1 ZINC000309604630 342745478 /nfs/dbraw/zinc/74/54/78/342745478.db2.gz XOVQUBPZTHEZQQ-YUMQZZPRSA-N 0 0 242.300 2.372 10 5 BEBERN Cn1c2ccccc2c(=O)c2cc(N)ccc21 ZINC000005011862 342756533 /nfs/dbraw/zinc/75/65/33/342756533.db2.gz YVOMLIYMDAWSJG-UHFFFAOYSA-N 0 0 224.263 2.274 10 5 BEBERN CCOC(=O)Cn1cc([N+](=O)[O-])c2ccccc21 ZINC000148732633 342792556 /nfs/dbraw/zinc/79/25/56/342792556.db2.gz YKOLBLWXSLYFJV-UHFFFAOYSA-N 0 0 248.238 2.113 10 5 BEBERN CCn1nccc1-c1ccc([N+](=O)[O-])cc1 ZINC000165172017 342879123 /nfs/dbraw/zinc/87/91/23/342879123.db2.gz OCLCLNIQEUKEGL-UHFFFAOYSA-N 0 0 217.228 2.478 10 5 BEBERN CCOc1cc([N+](=O)[O-])cnc1Cl ZINC000077254403 398307854 /nfs/dbraw/zinc/30/78/54/398307854.db2.gz BKRKPJMSZZJAJU-UHFFFAOYSA-N 0 0 202.597 2.042 10 5 BEBERN CC(=O)C[C@H](C[N+](=O)[O-])c1ccccc1F ZINC000309152617 342897444 /nfs/dbraw/zinc/89/74/44/342897444.db2.gz ZMSLCRIAPQGFGA-SECBINFHSA-N 0 0 225.219 2.165 10 5 BEBERN CC(=O)C[C@@H](C[N+](=O)[O-])c1ccccc1F ZINC000309152718 342897524 /nfs/dbraw/zinc/89/75/24/342897524.db2.gz ZMSLCRIAPQGFGA-VIFPVBQESA-N 0 0 225.219 2.165 10 5 BEBERN CCNc1cc([N+](=O)[O-])cc(Cl)n1 ZINC000219676124 342888177 /nfs/dbraw/zinc/88/81/77/342888177.db2.gz XLSCYHQPWZKYAH-UHFFFAOYSA-N 0 0 201.613 2.075 10 5 BEBERN CCOC(=O)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000309175122 342903317 /nfs/dbraw/zinc/90/33/17/342903317.db2.gz VKMDSQQDXRCAFQ-UHFFFAOYSA-N 0 0 243.646 2.354 10 5 BEBERN Nc1ccc(-c2cc([N+](=O)[O-])ccc2F)cn1 ZINC000584880565 343081078 /nfs/dbraw/zinc/08/10/78/343081078.db2.gz GLEBFFGLCUQPEE-UHFFFAOYSA-N 0 0 233.202 2.208 10 5 BEBERN CC(=O)c1ccc([N+](=O)[O-])c(Cl)c1N ZINC000145140071 343138902 /nfs/dbraw/zinc/13/89/02/343138902.db2.gz DTCNBSBAWQQTKJ-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN COc1cc([N+](=O)[O-])c(N)c(C(F)(F)F)c1 ZINC000309360583 343324633 /nfs/dbraw/zinc/32/46/33/343324633.db2.gz KTTOEHPOELDFFE-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN Cc1c([N+](=O)[O-])cnn1-c1ccc(F)cc1 ZINC000149322322 343424965 /nfs/dbraw/zinc/42/49/65/343424965.db2.gz IAOVRBFZUYYQTR-UHFFFAOYSA-N 0 0 221.191 2.228 10 5 BEBERN C[C@@H](Nc1cc(F)ccc1[N+](=O)[O-])[C@H](C)CO ZINC000159254941 349880021 /nfs/dbraw/zinc/88/00/21/349880021.db2.gz AGQBXCNKFAJUIQ-HTQZYQBOSA-N 0 0 242.250 2.163 10 5 BEBERN C=C(C(=O)OCC)c1ccccc1[N+](=O)[O-] ZINC000044200669 344537955 /nfs/dbraw/zinc/53/79/55/344537955.db2.gz AXWOUBIVXQAPGO-UHFFFAOYSA-N 0 0 221.212 2.171 10 5 BEBERN CC[C@H](C=O)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000115843828 344717107 /nfs/dbraw/zinc/71/71/07/344717107.db2.gz DCOZLRHTURZMSR-ZYHUDNBSSA-N 0 0 221.256 2.272 10 5 BEBERN C=CC(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000033607573 344868158 /nfs/dbraw/zinc/86/81/58/344868158.db2.gz RNYPOUOIGJXNMU-QMMMGPOBSA-N 0 0 221.212 2.385 10 5 BEBERN Cc1ccc(NCc2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000049715168 178768306 /nfs/dbraw/zinc/76/83/06/178768306.db2.gz BEFQKFIDAALYEI-UHFFFAOYSA-N 0 0 232.243 2.238 10 5 BEBERN COC(=O)Cc1cc(C)c([N+](=O)[O-])cc1Cl ZINC000146244495 345109956 /nfs/dbraw/zinc/10/99/56/345109956.db2.gz DMQVAKWOEIEKPV-UHFFFAOYSA-N 0 0 243.646 2.272 10 5 BEBERN Cc1cccc(CNc2ccncc2[N+](=O)[O-])n1 ZINC000051576985 349925038 /nfs/dbraw/zinc/92/50/38/349925038.db2.gz HIJYODRIWGAETK-UHFFFAOYSA-N 0 0 244.254 2.305 10 5 BEBERN COc1cc(CSC)cc([N+](=O)[O-])c1 ZINC000220355662 345861357 /nfs/dbraw/zinc/86/13/57/345861357.db2.gz IQYYWWXCNGASGC-UHFFFAOYSA-N 0 0 213.258 2.466 10 5 BEBERN C/C(=C\c1c2c(cc3c1OCC3)OCC2)[N+](=O)[O-] ZINC000034397813 345824475 /nfs/dbraw/zinc/82/44/75/345824475.db2.gz GHBFRRJOJMISNN-SOFGYWHQSA-N 0 0 247.250 2.194 10 5 BEBERN O=[N+]([O-])c1cccc(Br)c1[N+](=O)[O-] ZINC000039236529 346290031 /nfs/dbraw/zinc/29/00/31/346290031.db2.gz GEBJYRDABZFWLG-UHFFFAOYSA-N 0 0 247.004 2.266 10 5 BEBERN Cc1cccc(N[C@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000302645886 179157962 /nfs/dbraw/zinc/15/79/62/179157962.db2.gz JCWVBPOHTQRKSN-GXSJLCMTSA-N 0 0 236.271 2.229 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1O[C@@H](C)[C@H](C)O ZINC000128656314 179206697 /nfs/dbraw/zinc/20/66/97/179206697.db2.gz MGLBSTJJNCXXLC-IUCAKERBSA-N 0 0 225.244 2.051 10 5 BEBERN C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1CCCO1 ZINC000189682132 347307929 /nfs/dbraw/zinc/30/79/29/347307929.db2.gz FTFCGFDEOGPFRQ-BQBZGAKWSA-N 0 0 243.288 2.031 10 5 BEBERN CCC[C@@H]1C[C@@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596144471 348450729 /nfs/dbraw/zinc/45/07/29/348450729.db2.gz GKYFYMGEFCRQII-APPZFPTMSA-N 0 0 237.259 2.296 10 5 BEBERN Cc1cc(NC2CC(CO)C2)ccc1[N+](=O)[O-] ZINC000596566628 348580800 /nfs/dbraw/zinc/58/08/00/348580800.db2.gz GUFQKZXUXTUQJO-UHFFFAOYSA-N 0 0 236.271 2.086 10 5 BEBERN O=C1CCCC[C@H]1[C@@H](C[N+](=O)[O-])c1ccoc1 ZINC000198044264 348606049 /nfs/dbraw/zinc/60/60/49/348606049.db2.gz JBAOVYDUOVKERP-QWRGUYRKSA-N 0 0 237.255 2.399 10 5 BEBERN CC(=S)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000039124831 187427701 /nfs/dbraw/zinc/42/77/01/187427701.db2.gz MOPTZQSDDYOJIW-UHFFFAOYSA-N 0 0 210.258 2.378 10 5 BEBERN CCn1cc2c(cc([N+](=O)[O-])cc2C)n1 ZINC000224406601 350321037 /nfs/dbraw/zinc/32/10/37/350321037.db2.gz QGRKPMQJQZOOLS-UHFFFAOYSA-N 0 0 205.217 2.273 10 5 BEBERN Cc1cc2[nH]nc(Cl)c2c([N+](=O)[O-])c1 ZINC000014983783 350441186 /nfs/dbraw/zinc/44/11/86/350441186.db2.gz KBUBAZJPPMHCBY-UHFFFAOYSA-N 0 0 211.608 2.433 10 5 BEBERN Cc1nn([C@@H]2CCC[C@H](C)C2)c(N)c1[N+](=O)[O-] ZINC000043670300 180392219 /nfs/dbraw/zinc/39/22/19/180392219.db2.gz QZUMPCOYXCQOGM-IONNQARKSA-N 0 0 238.291 2.433 10 5 BEBERN CC(C)CN1Cc2c(cccc2[N+](=O)[O-])C1=O ZINC000725266715 538097163 /nfs/dbraw/zinc/09/71/63/538097163.db2.gz YMXNIBUCWUADQB-UHFFFAOYSA-N 0 0 234.255 2.207 10 5 BEBERN CC(C)CN1Cc2cccc([N+](=O)[O-])c2C1=O ZINC000725266687 538096768 /nfs/dbraw/zinc/09/67/68/538096768.db2.gz HYLMKQWNTXNGJX-UHFFFAOYSA-N 0 0 234.255 2.207 10 5 BEBERN CC(C)(C)[C@H](O)COc1ccc([N+](=O)[O-])cc1 ZINC000222352349 350900812 /nfs/dbraw/zinc/90/08/12/350900812.db2.gz AWXJOGZNVCVZMT-LLVKDONJSA-N 0 0 239.271 2.381 10 5 BEBERN O=[N+]([O-])c1c(F)cc(OCF)cc1F ZINC000306851885 351175523 /nfs/dbraw/zinc/17/55/23/351175523.db2.gz QZUNMNSYYODOJL-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN O=[N+]([O-])c1cc(Cl)c(CO)cc1Cl ZINC000306896689 351308997 /nfs/dbraw/zinc/30/89/97/351308997.db2.gz QKXVSBRVVCUUPY-UHFFFAOYSA-N 0 0 222.027 2.394 10 5 BEBERN Cc1c(Br)cc([N+](=O)[O-])cc1CO ZINC000307042559 351445234 /nfs/dbraw/zinc/44/52/34/351445234.db2.gz RYTVOCUNEXNEMX-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN O=[N+]([O-])c1cc(OCF)cc(F)c1F ZINC000307108649 351484416 /nfs/dbraw/zinc/48/44/16/351484416.db2.gz MJIWHFMIPJJIQL-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN C[C@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227651190 187495747 /nfs/dbraw/zinc/49/57/47/187495747.db2.gz JFIOSODZZTVWFA-YLWLKBPMSA-N 0 0 227.651 2.464 10 5 BEBERN O=Cc1c(F)c([N+](=O)[O-])ccc1Br ZINC000307324163 352019696 /nfs/dbraw/zinc/01/96/96/352019696.db2.gz DFOAJLJJEMWQEB-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN O=[N+]([O-])c1c(CO)ccc2ccccc21 ZINC000044198600 352206299 /nfs/dbraw/zinc/20/62/99/352206299.db2.gz DKDQNPAVVXVSFJ-UHFFFAOYSA-N 0 0 203.197 2.240 10 5 BEBERN O=[N+]([O-])c1cnc2c(Br)c[nH]c2c1 ZINC000044712976 352384359 /nfs/dbraw/zinc/38/43/59/352384359.db2.gz YALYDYACSDQGIV-UHFFFAOYSA-N 0 0 242.032 2.234 10 5 BEBERN Cc1cc(Cl)cc(CO)c1[N+](=O)[O-] ZINC000307532678 352639396 /nfs/dbraw/zinc/63/93/96/352639396.db2.gz ZRUOVYMDZJCATR-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN COc1cc(F)c(F)c([N+](=O)[O-])c1F ZINC000307648341 352738062 /nfs/dbraw/zinc/73/80/62/352738062.db2.gz GHVSVKOJDPKKEG-UHFFFAOYSA-N 0 0 207.107 2.021 10 5 BEBERN C/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000034779930 188099674 /nfs/dbraw/zinc/09/96/74/188099674.db2.gz MTLUGHXVCAAHEJ-ARJAWSKDSA-N 0 0 220.228 2.418 10 5 BEBERN CC(=O)SCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002581155 188100888 /nfs/dbraw/zinc/10/08/88/188100888.db2.gz KVXOBSQWMYDSHI-UHFFFAOYSA-N 0 0 239.252 2.057 10 5 BEBERN CC(C)(C)c1ncc([N+](=O)[O-])c(Cl)n1 ZINC000034160611 188111094 /nfs/dbraw/zinc/11/10/94/188111094.db2.gz WRWLLLIIGUUHCE-UHFFFAOYSA-N 0 0 215.640 2.336 10 5 BEBERN CCc1nccn1-c1cccc(F)c1[N+](=O)[O-] ZINC000054269768 188127348 /nfs/dbraw/zinc/12/73/48/188127348.db2.gz FWFDXNJECJOKHD-UHFFFAOYSA-N 0 0 235.218 2.482 10 5 BEBERN CC(C)COc1ccc([N+](=O)[O-])cc1N ZINC000033640105 188182667 /nfs/dbraw/zinc/18/26/67/188182667.db2.gz YNQSKYCQWVPYSO-UHFFFAOYSA-N 0 0 210.233 2.212 10 5 BEBERN CCOc1cnc(Cl)c([N+](=O)[O-])c1 ZINC000299889480 188216220 /nfs/dbraw/zinc/21/62/20/188216220.db2.gz JYJDGPPNBBTTJS-UHFFFAOYSA-N 0 0 202.597 2.042 10 5 BEBERN Cc1n[nH]cc1-c1cccc([N+](=O)[O-])c1 ZINC000675082609 538523567 /nfs/dbraw/zinc/52/35/67/538523567.db2.gz QHWQKQNRBRWQKI-UHFFFAOYSA-N 0 0 203.201 2.293 10 5 BEBERN CC(C)(CO)c1ccc([N+](=O)[O-])cc1F ZINC000584594886 358252068 /nfs/dbraw/zinc/25/20/68/358252068.db2.gz GNGVLXQTZXMRJK-UHFFFAOYSA-N 0 0 213.208 2.004 10 5 BEBERN CC(=O)C[C@H](C[N+](=O)[O-])c1cccc(C)c1 ZINC000584610783 358274446 /nfs/dbraw/zinc/27/44/46/358274446.db2.gz YOTVGACBPOGFDV-GFCCVEGCSA-N 0 0 221.256 2.334 10 5 BEBERN COc1cc([N+](=O)[O-])c2c(c1OC)C=CCN2 ZINC000584657181 358308773 /nfs/dbraw/zinc/30/87/73/358308773.db2.gz LPDZCHFQUFHONO-UHFFFAOYSA-N 0 0 236.227 2.051 10 5 BEBERN Cc1c(Br)cc(F)c(N)c1[N+](=O)[O-] ZINC000306538501 360401239 /nfs/dbraw/zinc/40/12/39/360401239.db2.gz SURRBKRYEZSBCM-UHFFFAOYSA-N 0 0 249.039 2.387 10 5 BEBERN C/C=C/CNc1ncnc(Cl)c1[N+](=O)[O-] ZINC000306562434 360441133 /nfs/dbraw/zinc/44/11/33/360441133.db2.gz UQDRUPMPYFNQHX-NSCUHMNNSA-N 0 0 228.639 2.026 10 5 BEBERN O=Cc1c(Br)c(F)ccc1[N+](=O)[O-] ZINC000306604447 360531336 /nfs/dbraw/zinc/53/13/36/360531336.db2.gz OBIRIJLZQIKOAW-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN Cc1ccnc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000238472679 361098407 /nfs/dbraw/zinc/09/84/07/361098407.db2.gz RYCGAROYXSHFIN-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN O=[N+]([O-])c1cnccc1-c1cccnc1 ZINC000238593749 361161167 /nfs/dbraw/zinc/16/11/67/361161167.db2.gz YUNRPKZAXYPETI-UHFFFAOYSA-N 0 0 201.185 2.052 10 5 BEBERN O=[N+]([O-])c1cc(F)cnc1OC(F)(F)F ZINC000238584149 361160128 /nfs/dbraw/zinc/16/01/28/361160128.db2.gz XWIQUHQUUWWUII-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN Cc1ccc(NCc2ccnn2C)c([N+](=O)[O-])c1 ZINC000037059859 361614787 /nfs/dbraw/zinc/61/47/87/361614787.db2.gz NATISNMJOMFXIB-UHFFFAOYSA-N 0 0 246.270 2.249 10 5 BEBERN O=[N+]([O-])c1cn(CCc2ccsc2)cn1 ZINC000116062742 370728633 /nfs/dbraw/zinc/72/86/33/370728633.db2.gz AOVZKSSNOKMVID-UHFFFAOYSA-N 0 0 223.257 2.096 10 5 BEBERN Nc1cc([N+](=O)[O-])ccc1NC1CCC1 ZINC000052841542 181691554 /nfs/dbraw/zinc/69/15/54/181691554.db2.gz MVSOPKGFDICCFI-UHFFFAOYSA-N 0 0 207.233 2.141 10 5 BEBERN O=[N+]([O-])c1cnccc1NC1CC=CC1 ZINC000131091714 371556586 /nfs/dbraw/zinc/55/65/86/371556586.db2.gz HHIAPXHUPRSFHO-UHFFFAOYSA-N 0 0 205.217 2.120 10 5 BEBERN Nc1ncc2c(Cl)nc3ccccc3c2n1 ZINC000072416779 181798852 /nfs/dbraw/zinc/79/88/52/181798852.db2.gz HPIRLJCXOODSDY-UHFFFAOYSA-N 0 0 230.658 2.414 10 5 BEBERN Cc1cc([N+](=O)[O-])c(Cl)cc1NC=O ZINC000132411674 371815316 /nfs/dbraw/zinc/81/53/16/371815316.db2.gz WBJOAMJNSOGQRO-UHFFFAOYSA-N 0 0 214.608 2.125 10 5 BEBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H](O)C2)cc1 ZINC000603865717 371937565 /nfs/dbraw/zinc/93/75/65/371937565.db2.gz MZLLGXHUFBEYSF-PWSUYJOCSA-N 0 0 236.271 2.310 10 5 BEBERN C[C@H](CO)Nc1cccc(Cl)c1[N+](=O)[O-] ZINC000132701720 371900110 /nfs/dbraw/zinc/90/01/10/371900110.db2.gz CCHFOPWBVSNLMR-ZCFIWIBFSA-N 0 0 230.651 2.041 10 5 BEBERN CCOC(=O)c1ccc(C)c(C)c1[N+](=O)[O-] ZINC000164571751 372166571 /nfs/dbraw/zinc/16/65/71/372166571.db2.gz SELDFXZJZNYPAD-UHFFFAOYSA-N 0 0 223.228 2.388 10 5 BEBERN O=C(COc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000037974486 182004828 /nfs/dbraw/zinc/00/48/28/182004828.db2.gz UKYCQVRQQRGFQX-UHFFFAOYSA-N 0 0 247.206 2.450 10 5 BEBERN CCOC(=O)c1cc(SC)cc([N+](=O)[O-])c1 ZINC000143326747 374166884 /nfs/dbraw/zinc/16/68/84/374166884.db2.gz OJKVJYPFNXJBTG-UHFFFAOYSA-N 0 0 241.268 2.493 10 5 BEBERN O=C1CCc2cc3c(c([N+](=O)[O-])c21)CCC3 ZINC000022065351 182755829 /nfs/dbraw/zinc/75/58/29/182755829.db2.gz MKAURAAKBUQECD-UHFFFAOYSA-N 0 0 217.224 2.212 10 5 in-vitro BEBERN O=[N+]([O-])c1cc(F)c(OC(F)F)cc1F ZINC000098210249 182923373 /nfs/dbraw/zinc/92/33/73/182923373.db2.gz VITIKGAJQMJZFF-UHFFFAOYSA-N 0 0 225.097 2.474 10 5 BEBERN O=[N+]([O-])c1ccc(NCc2cncnc2)cc1F ZINC000083378011 182936702 /nfs/dbraw/zinc/93/67/02/182936702.db2.gz SXMVKWXXNCRBOG-UHFFFAOYSA-N 0 0 248.217 2.136 10 5 BEBERN CCCN(C)c1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000035631674 169087794 /nfs/dbraw/zinc/08/77/94/169087794.db2.gz PVZWYAAORCLTPJ-SECBINFHSA-N 0 0 238.287 2.494 10 5 BEBERN CCCNc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000060880492 169294324 /nfs/dbraw/zinc/29/43/24/169294324.db2.gz NDUZWDNPFPJLPW-UHFFFAOYSA-N 0 0 238.243 2.188 10 5 BEBERN CCCNc1ccc(OC)cc1[N+](=O)[O-] ZINC000021517419 169294735 /nfs/dbraw/zinc/29/47/35/169294735.db2.gz JNFRBCUTYAKVRI-UHFFFAOYSA-N 0 0 210.233 2.425 10 5 BEBERN COc1cc(C)c(C(C)=O)cc1[N+](=O)[O-] ZINC000575673095 384470175 /nfs/dbraw/zinc/47/01/75/384470175.db2.gz CCXPVCHGCPXWCS-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN COc1cc(C(C)=O)c(C)c([N+](=O)[O-])c1 ZINC000575673094 384471311 /nfs/dbraw/zinc/47/13/11/384471311.db2.gz CCUNZRJIVOHLTE-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN O=C(c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000100414293 384639724 /nfs/dbraw/zinc/63/97/24/384639724.db2.gz JLFNWUWCEKSKGY-UHFFFAOYSA-N 0 0 237.108 2.479 10 5 BEBERN O=C1OCCN1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000071790360 384698644 /nfs/dbraw/zinc/69/86/44/384698644.db2.gz OIVANVCNWCWJLD-UHFFFAOYSA-N 0 0 242.618 2.205 10 5 BEBERN O=[N+]([O-])c1cccc2nncc(Cl)c21 ZINC000098180462 384735457 /nfs/dbraw/zinc/73/54/57/384735457.db2.gz IOXVKUCNFYRAAD-UHFFFAOYSA-N 0 0 209.592 2.191 10 5 BEBERN CCn1cc(C=O)c2c1cccc2[N+](=O)[O-] ZINC000536955170 384803533 /nfs/dbraw/zinc/80/35/33/384803533.db2.gz UXUIPDIMJNCHJY-UHFFFAOYSA-N 0 0 218.212 2.382 10 5 BEBERN CCS(=O)(CC)=Nc1ccc([N+](=O)[O-])cn1 ZINC000536957936 384807220 /nfs/dbraw/zinc/80/72/20/384807220.db2.gz RVRXFBFQKBDNGX-UHFFFAOYSA-N 0 0 243.288 2.129 10 5 BEBERN CC(=O)c1c(N)c([N+](=O)[O-])ccc1Cl ZINC000575716272 384873450 /nfs/dbraw/zinc/87/34/50/384873450.db2.gz PKAYKGDMEBZGBG-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN Cc1cnn(CCNc2ccc([N+](=O)[O-])cc2)c1 ZINC000108949152 385118029 /nfs/dbraw/zinc/11/80/29/385118029.db2.gz JPBIUPDJQOEOAP-UHFFFAOYSA-N 0 0 246.270 2.212 10 5 BEBERN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCC[C@@H]1O ZINC000265557616 385689638 /nfs/dbraw/zinc/68/96/38/385689638.db2.gz IOMFLNNGKWVXKY-KOLCDFICSA-N 0 0 240.234 2.059 10 5 BEBERN Cc1cc(Cl)c([N+](=O)[O-])cc1CO ZINC000307132383 385936308 /nfs/dbraw/zinc/93/63/08/385936308.db2.gz VGISHMOMUBFAOE-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN CCOC(=O)Cc1cc(C)c(F)cc1[N+](=O)[O-] ZINC000575397262 386997815 /nfs/dbraw/zinc/99/78/15/386997815.db2.gz CGTSRQLNRLLABA-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOC(=O)Cc1c(C)c(F)ccc1[N+](=O)[O-] ZINC000575397264 386998283 /nfs/dbraw/zinc/99/82/83/386998283.db2.gz CXCMEHMOXGWVSE-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOc1ccc(O)c(OC(F)F)c1[N+](=O)[O-] ZINC000575657067 387044541 /nfs/dbraw/zinc/04/45/41/387044541.db2.gz IWOYUCOAOVIXFB-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN CCc1ccc(CO)c([N+](=O)[O-])c1OC(F)F ZINC000575658586 387047715 /nfs/dbraw/zinc/04/77/15/387047715.db2.gz GYGKWSIJOLBGLT-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN COc1cc(F)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575661071 387050773 /nfs/dbraw/zinc/05/07/73/387050773.db2.gz HWMZFRCCXBIFJN-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN CCc1cc([N+](=O)[O-])cc(O)c1OC(F)F ZINC000575657996 387051657 /nfs/dbraw/zinc/05/16/57/387051657.db2.gz DKJQQJAXWZGLBT-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN CCc1cc(OC(F)F)c([N+](=O)[O-])cc1O ZINC000575660819 387052826 /nfs/dbraw/zinc/05/28/26/387052826.db2.gz ZMWPCVLJQHKCBB-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN O=[N+]([O-])c1c(F)ccc(O)c1OC(F)F ZINC000575661133 387063313 /nfs/dbraw/zinc/06/33/13/387063313.db2.gz JURRFYQMSBICQT-UHFFFAOYSA-N 0 0 223.106 2.041 10 5 BEBERN COc1cc([N+](=O)[O-])cc(F)c1OC(F)F ZINC000575661683 387111982 /nfs/dbraw/zinc/11/19/82/387111982.db2.gz TXKYEHARNAHWDN-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN CC(=O)c1c(O)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575662654 387200430 /nfs/dbraw/zinc/20/04/30/387200430.db2.gz FJRRBJPEPAAPDV-UHFFFAOYSA-N 0 0 247.153 2.104 10 5 BEBERN COc1ccc([N+](=O)[O-])c(C=O)c1OC(F)F ZINC000575664885 387312154 /nfs/dbraw/zinc/31/21/54/387312154.db2.gz LVLYYTSSJCKHAM-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN CCOC(=O)c1cc(C)c(OC)c([N+](=O)[O-])c1 ZINC000575674891 387357212 /nfs/dbraw/zinc/35/72/12/387357212.db2.gz VTQIBICRJWGKGA-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN CCOC(=O)c1cc([N+](=O)[O-])cc(C)c1OC ZINC000575675958 387358562 /nfs/dbraw/zinc/35/85/62/387358562.db2.gz ZVNOQJCARGYFJO-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN O=[N+]([O-])[C@@H]1C[C@@H]1[C@H]1C[C@H]1c1ccccc1 ZINC000575602885 387366957 /nfs/dbraw/zinc/36/69/57/387366957.db2.gz YWNJLWLIMVBXOS-NNYUYHANSA-N 0 0 203.241 2.455 10 5 BEBERN CCOc1c(CO)c(CC)ccc1[N+](=O)[O-] ZINC000575694114 387382272 /nfs/dbraw/zinc/38/22/72/387382272.db2.gz AYDXVZRJQRRMIE-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN COc1c(C=O)cc([N+](=O)[O-])cc1OC(F)F ZINC000575666720 387319426 /nfs/dbraw/zinc/31/94/26/387319426.db2.gz ZEUAIBHKNRDLOJ-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN COc1c(C(F)F)cc(O)cc1[N+](=O)[O-] ZINC000575668950 387323473 /nfs/dbraw/zinc/32/34/73/387323473.db2.gz QLJLXILOIWJOKD-UHFFFAOYSA-N 0 0 219.143 2.247 10 5 BEBERN O=[N+]([O-])c1c(F)c(C(F)F)ccc1CO ZINC000575669667 387328647 /nfs/dbraw/zinc/32/86/47/387328647.db2.gz INAITNWWXUDKCM-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN O=[N+]([O-])c1c(CO)cc(F)cc1C(F)F ZINC000575669927 387332612 /nfs/dbraw/zinc/33/26/12/387332612.db2.gz SQUWDMKNQDIHRP-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN COc1cc(CO)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575670832 387335890 /nfs/dbraw/zinc/33/58/90/387335890.db2.gz CPAOWXOFRJSDPM-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN Cc1cc(C(F)(F)F)c(C(N)=O)cc1[N+](=O)[O-] ZINC000575673117 387339561 /nfs/dbraw/zinc/33/95/61/387339561.db2.gz BTUGMBZYLJPMHM-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN COc1cc(C)cc(C(C)=O)c1[N+](=O)[O-] ZINC000575673172 387339698 /nfs/dbraw/zinc/33/96/98/387339698.db2.gz DZFJKXDFGFEDDN-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN Cc1cc(C(N)=O)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575673046 387341264 /nfs/dbraw/zinc/34/12/64/387341264.db2.gz AAJLHRPJPODOSW-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN Cc1c(N)ccc([N+](=O)[O-])c1OC(F)F ZINC000575721506 387444816 /nfs/dbraw/zinc/44/48/16/387444816.db2.gz QODIJPBOPYZMPG-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN CCOc1cc(CC)cc(C=O)c1[N+](=O)[O-] ZINC000575694540 387387452 /nfs/dbraw/zinc/38/74/52/387387452.db2.gz DZRQQLWNLBZZOS-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CCOc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000575697351 387391410 /nfs/dbraw/zinc/39/14/10/387391410.db2.gz WSZVOZIHZLTWJR-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(OC)c1C(C)=O ZINC000575698143 387392565 /nfs/dbraw/zinc/39/25/65/387392565.db2.gz DSHDLNSGEDVSHL-UHFFFAOYSA-N 0 0 239.227 2.205 10 5 BEBERN CCOc1c([N+](=O)[O-])ccc(OC)c1C(C)=O ZINC000575698324 387392754 /nfs/dbraw/zinc/39/27/54/387392754.db2.gz KYFCKQMLSFYOOU-UHFFFAOYSA-N 0 0 239.227 2.205 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(CO)c1CC ZINC000575695509 387395270 /nfs/dbraw/zinc/39/52/70/387395270.db2.gz JOFKVNBAZUSCRM-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN CCOc1cc(CC)c(CO)cc1[N+](=O)[O-] ZINC000575696350 387397231 /nfs/dbraw/zinc/39/72/31/387397231.db2.gz LZVMNERMFOMFNV-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN CCOc1cc(CC)c(C=O)c([N+](=O)[O-])c1 ZINC000575697102 387398700 /nfs/dbraw/zinc/39/87/00/387398700.db2.gz TTYKTXMAGVWVHY-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CCOc1c(C)cc([N+](=O)[O-])cc1OC ZINC000575699790 387403436 /nfs/dbraw/zinc/40/34/36/387403436.db2.gz XAMIJLWIXLQGIM-UHFFFAOYSA-N 0 0 211.217 2.311 10 5 BEBERN COc1cc([N+](=O)[O-])c(SC)cc1F ZINC000575708343 387412065 /nfs/dbraw/zinc/41/20/65/387412065.db2.gz NMIMBUUMBAAASQ-UHFFFAOYSA-N 0 0 217.221 2.464 10 5 BEBERN CSc1c(F)ccc([N+](=O)[O-])c1C=O ZINC000575709043 387413792 /nfs/dbraw/zinc/41/37/92/387413792.db2.gz HELRJVZPMCWQNP-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN C[Si](C)(C)c1ccc([N+](=O)[O-])s1 ZINC000584626976 387504074 /nfs/dbraw/zinc/50/40/74/387504074.db2.gz XFJMQHUUOHYILX-UHFFFAOYSA-N 0 0 201.323 2.202 10 5 BEBERN COc1cc(C=O)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575730201 387468248 /nfs/dbraw/zinc/46/82/48/387468248.db2.gz KOCLOLZVBYSQNR-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1ccc([N+](=O)[O-])c(C(F)(F)F)c1C=O ZINC000575729765 387468264 /nfs/dbraw/zinc/46/82/64/387468264.db2.gz HJLLTZAKWZQLFN-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1ccc(C(F)(F)F)c(C=O)c1[N+](=O)[O-] ZINC000575730410 387469247 /nfs/dbraw/zinc/46/92/47/387469247.db2.gz VWFDIFZNQCGALP-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN CCOc1cc(Cl)cnc1[N+](=O)[O-] ZINC000169804013 387870152 /nfs/dbraw/zinc/87/01/52/387870152.db2.gz JUZIIFZZDHHMOZ-UHFFFAOYSA-N 0 0 202.597 2.042 10 5 BEBERN Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000075522304 177807679 /nfs/dbraw/zinc/80/76/79/177807679.db2.gz IJHJODLNKPQFEE-OIBJUYFYSA-N 0 0 234.255 2.041 10 5 BEBERN CN(Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000054174649 388020499 /nfs/dbraw/zinc/02/04/99/388020499.db2.gz VKMRSFHWOJRQLJ-UHFFFAOYSA-N 0 0 212.274 2.251 10 5 BEBERN CCOc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000238860511 388259185 /nfs/dbraw/zinc/25/91/85/388259185.db2.gz ZPAALTJALBYTDM-UHFFFAOYSA-N 0 0 208.173 2.135 10 5 BEBERN C[C@H]1C[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771889 388394140 /nfs/dbraw/zinc/39/41/40/388394140.db2.gz ZMLYICSEZOJNBW-IMTBSYHQSA-N 0 0 232.243 2.291 10 5 BEBERN CCOC(=O)Cc1c(F)cc(C)cc1[N+](=O)[O-] ZINC000575397278 388615500 /nfs/dbraw/zinc/61/55/00/388615500.db2.gz QGVKNYDEOBNJGH-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CC(C)[C@H](C)CNc1c([N+](=O)[O-])ncn1C ZINC000113170281 388673416 /nfs/dbraw/zinc/67/34/16/388673416.db2.gz PMGBVEWWJJUKCZ-MRVPVSSYSA-N 0 0 226.280 2.032 10 5 BEBERN COC(=O)c1cccc([N+](=O)[O-])c1C(F)(F)F ZINC000575338364 388748108 /nfs/dbraw/zinc/74/81/08/388748108.db2.gz CEFGFFWJKSVRNH-UHFFFAOYSA-N 0 0 249.144 2.400 10 5 BEBERN Cc1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC000080008367 388704038 /nfs/dbraw/zinc/70/40/38/388704038.db2.gz XBOLYRIEQCSFJU-UHFFFAOYSA-N 0 0 221.191 2.228 10 5 BEBERN CC(C)CCNc1ccncc1[N+](=O)[O-] ZINC000020370271 388763189 /nfs/dbraw/zinc/76/31/89/388763189.db2.gz JRKKSDDCQQSCTL-UHFFFAOYSA-N 0 0 209.249 2.448 10 5 BEBERN O=c1cc(Cl)c2cc([N+](=O)[O-])ccc2[nH]1 ZINC000095829567 388786991 /nfs/dbraw/zinc/78/69/91/388786991.db2.gz BZWQSAMGSLTVJG-UHFFFAOYSA-N 0 0 224.603 2.090 10 5 BEBERN CC[C@@H](C)c1cc([N+](=O)[O-])cc(N)c1N ZINC000095930816 388791562 /nfs/dbraw/zinc/79/15/62/388791562.db2.gz NGGIZFFKRAORNW-ZCFIWIBFSA-N 0 0 209.249 2.273 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H]1C ZINC000194568384 388820996 /nfs/dbraw/zinc/82/09/96/388820996.db2.gz FUYSESOJVSQVLQ-DTWKUNHWSA-N 0 0 234.255 2.041 10 5 BEBERN Cc1ccc(Oc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000302255242 388840512 /nfs/dbraw/zinc/84/05/12/388840512.db2.gz BQMAYQJMBMCMNT-UHFFFAOYSA-N 0 0 233.227 2.429 10 5 BEBERN Cc1cc([N+](=O)[O-])cnc1N1CC[C@](C)(F)C1 ZINC000408048935 133467703 /nfs/dbraw/zinc/46/77/03/133467703.db2.gz SGCRVFCVPIQGTJ-NSHDSACASA-N 0 0 239.250 2.237 10 5 BEBERN O=[N+]([O-])c1ccc(CCNc2cccnn2)cc1 ZINC000052831046 322854996 /nfs/dbraw/zinc/85/49/96/322854996.db2.gz RAOKAVARICJKSG-UHFFFAOYSA-N 0 0 244.254 2.039 10 5 BEBERN Cc1cccc(NC2CC(CO)C2)c1[N+](=O)[O-] ZINC000596555920 398083953 /nfs/dbraw/zinc/08/39/53/398083953.db2.gz MHBXNIVTHHVOEV-UHFFFAOYSA-N 0 0 236.271 2.086 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(F)cc1OC ZINC000575696059 398056153 /nfs/dbraw/zinc/05/61/53/398056153.db2.gz IZXQDGBKBQMNNJ-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CC(C)CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302067835 167014921 /nfs/dbraw/zinc/01/49/21/167014921.db2.gz USBAETJDSGHNAR-UHFFFAOYSA-N 0 0 224.260 2.155 10 5 BEBERN CC[C@H](C)Nc1ccc([N+](=O)[O-])cc1N ZINC000052840143 171349406 /nfs/dbraw/zinc/34/94/06/171349406.db2.gz ZWTQOWLETPAWOA-ZETCQYMHSA-N 0 0 209.249 2.387 10 5 BEBERN CC[C@H](C)Oc1ccc([N+](=O)[O-])cc1N ZINC000033640093 171355930 /nfs/dbraw/zinc/35/59/30/171355930.db2.gz DQEWCVUXDCHFMD-ZETCQYMHSA-N 0 0 210.233 2.354 10 5 BEBERN CCc1ncc([N+](=O)[O-])cc1OC1CC1 ZINC000095720969 172023635 /nfs/dbraw/zinc/02/36/35/172023635.db2.gz JSJQWHGGAUKAMC-UHFFFAOYSA-N 0 0 208.217 2.093 10 5 BEBERN CCn1c(C)nc2cc([N+](=O)[O-])ccc21 ZINC000003120496 172139980 /nfs/dbraw/zinc/13/99/80/172139980.db2.gz HYHPPMUEEIWHRW-UHFFFAOYSA-N 0 0 205.217 2.273 10 5 BEBERN CO[C@@H](C)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000224317490 174706206 /nfs/dbraw/zinc/70/62/06/174706206.db2.gz QNYOTOBUVOSYER-ZETCQYMHSA-N 0 0 228.223 2.181 10 5 BEBERN COc1cc2[nH]nc(Cl)c2c([N+](=O)[O-])c1 ZINC000042689514 175017536 /nfs/dbraw/zinc/01/75/36/175017536.db2.gz XWZNSOKZWXMKTD-UHFFFAOYSA-N 0 0 227.607 2.133 10 5 BEBERN COc1cc2c(cc1N)[nH]c1ccccc1c2=O ZINC000082305633 175018558 /nfs/dbraw/zinc/01/85/58/175018558.db2.gz BPQVZDXQPMGOGE-UHFFFAOYSA-N 0 0 240.262 2.272 10 5 BEBERN COc1ccc([N+](=O)[O-])c(S[C@@H](C)CO)c1 ZINC000162502141 175200780 /nfs/dbraw/zinc/20/07/80/175200780.db2.gz ZOFLBJDEKDPDJG-ZETCQYMHSA-N 0 0 243.284 2.076 10 5 BEBERN COc1ccc2cnccc2c1[N+](=O)[O-] ZINC000006713624 175226509 /nfs/dbraw/zinc/22/65/09/175226509.db2.gz NDSGVVYXJOCEOX-UHFFFAOYSA-N 0 0 204.185 2.152 10 5 in-vitro BEBERN COc1ccc2cccnc2c1[N+](=O)[O-] ZINC000022062334 175226596 /nfs/dbraw/zinc/22/65/96/175226596.db2.gz SJPSBGPTZVFQPS-UHFFFAOYSA-N 0 0 204.185 2.152 10 5 in-vitro BEBERN COc1ccc2ncsc2c1[N+](=O)[O-] ZINC000045237855 175230001 /nfs/dbraw/zinc/23/00/01/175230001.db2.gz DLHLAQFQRGNMAT-UHFFFAOYSA-N 0 0 210.214 2.213 10 5 BEBERN C[C@@H]1C[C@@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000151216978 176399856 /nfs/dbraw/zinc/39/98/56/176399856.db2.gz RGFLTKFDOLKXNV-SKDRFNHKSA-N 0 0 248.282 2.052 10 5 BEBERN C[C@H](O)c1ccc(N(C)C2CC2)c([N+](=O)[O-])c1 ZINC000035631604 177017358 /nfs/dbraw/zinc/01/73/58/177017358.db2.gz UNTBQYPFXPYCMV-QMMMGPOBSA-N 0 0 236.271 2.247 10 5 BEBERN C[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000052291501 177350685 /nfs/dbraw/zinc/35/06/85/177350685.db2.gz AZXKVKSFLNSHPM-RCOVLWMOSA-N 0 0 237.215 2.323 10 5 BEBERN CC(C)(COc1noc2ccccc21)[N+](=O)[O-] ZINC000584645724 488022975 /nfs/dbraw/zinc/02/29/75/488022975.db2.gz CHZHTNSTOOYFRH-UHFFFAOYSA-N 0 0 236.227 2.262 10 5 BEBERN CC(C)[C@H](CO)c1ccc([N+](=O)[O-])cc1 ZINC000057348702 519816669 /nfs/dbraw/zinc/81/66/69/519816669.db2.gz LARZJEOAFOCQMS-NSHDSACASA-N 0 0 209.245 2.327 10 5 BEBERN CCc1nn(C)c(N[C@@H]2C[C@@H]2CC)c1[N+](=O)[O-] ZINC000220008824 536182461 /nfs/dbraw/zinc/18/24/61/536182461.db2.gz XQZDVLDMZJDROA-IONNQARKSA-N 0 0 238.291 2.101 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H](C)O)c1 ZINC000309945315 633967577 /nfs/dbraw/zinc/96/75/77/633967577.db2.gz DECOOOKNTUPXGN-BDAKNGLRSA-N 0 0 224.260 2.084 10 5 BEBERN C[C@H](O)[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000309982395 634026048 /nfs/dbraw/zinc/02/60/48/634026048.db2.gz WTIQANNHWWTNHC-BQBZGAKWSA-N 0 0 244.678 2.429 10 5 BEBERN Cc1cc(N(C)C)c([N+](=O)[O-])c(Cl)n1 ZINC000095751934 178093527 /nfs/dbraw/zinc/09/35/27/178093527.db2.gz AGVQKMYYFYALCA-UHFFFAOYSA-N 0 0 215.640 2.018 10 5 BEBERN Cc1cc(NC[C@@H]2[C@H]3COC[C@H]32)ccc1[N+](=O)[O-] ZINC000376190745 178169842 /nfs/dbraw/zinc/16/98/42/178169842.db2.gz ZTWOYCQEIIUIMY-CNDDSTCGSA-N 0 0 248.282 2.208 10 5 BEBERN Cc1cc(O[C@@H](C)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000087138751 178213184 /nfs/dbraw/zinc/21/31/84/178213184.db2.gz CZHHCOHJUOTEMB-BDAKNGLRSA-N 0 0 225.244 2.051 10 5 BEBERN Cc1cc(O[C@@H](C)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000087138755 178213296 /nfs/dbraw/zinc/21/32/96/178213296.db2.gz CZHHCOHJUOTEMB-IUCAKERBSA-N 0 0 225.244 2.051 10 5 BEBERN Cc1cc([N+](=O)[O-])cn(CC2CCCC2)c1=O ZINC000127186501 178274587 /nfs/dbraw/zinc/27/45/87/178274587.db2.gz IDDKDPSOHXYTDU-UHFFFAOYSA-N 0 0 236.271 2.255 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1NC[C@H](O)C(C)C ZINC000125136173 178272224 /nfs/dbraw/zinc/27/22/24/178272224.db2.gz FJUGXRIYQFYOEG-LBPRGKRZSA-N 0 0 238.287 2.332 10 5 BEBERN Cc1ccc(-n2cccn2)cc1[N+](=O)[O-] ZINC000096300620 178347013 /nfs/dbraw/zinc/34/70/13/178347013.db2.gz FWVQFKYIHNLCFF-UHFFFAOYSA-N 0 0 203.201 2.089 10 5 BEBERN CCO[C@H]1C=Cc2cc([N+](=O)[O-])ccc2O1 ZINC000144552027 342745286 /nfs/dbraw/zinc/74/52/86/342745286.db2.gz RQHBDKAAJQYXAW-LLVKDONJSA-N 0 0 221.212 2.363 10 5 BEBERN CC(C)(C)[C@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000078670243 398310426 /nfs/dbraw/zinc/31/04/26/398310426.db2.gz APDUUBJNDYOZCA-LLVKDONJSA-N 0 0 238.287 2.414 10 5 BEBERN C[C@@H](CO)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000116252550 342923037 /nfs/dbraw/zinc/92/30/37/342923037.db2.gz KZHBKKRUCVHAPW-ZETCQYMHSA-N 0 0 220.228 2.172 10 5 BEBERN CC(C)(CO)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000116255603 342923054 /nfs/dbraw/zinc/92/30/54/342923054.db2.gz BJNLLVIUZURLGX-UHFFFAOYSA-N 0 0 234.255 2.346 10 5 BEBERN COc1ccc([C@@H](O)C(C)C)c([N+](=O)[O-])c1 ZINC000116808524 342938041 /nfs/dbraw/zinc/93/80/41/342938041.db2.gz MWWNIJZPBIAWPZ-NSHDSACASA-N 0 0 225.244 2.293 10 5 BEBERN CCSc1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC000233824450 343070128 /nfs/dbraw/zinc/07/01/28/343070128.db2.gz MWJROXLJXRENGR-UHFFFAOYSA-N 0 0 233.680 2.459 10 5 BEBERN O=Cc1cccc(-c2ccc([N+](=O)[O-])nc2)c1 ZINC000584881157 343082071 /nfs/dbraw/zinc/08/20/71/343082071.db2.gz XHWLEACRUNQCGB-UHFFFAOYSA-N 0 0 228.207 2.469 10 5 BEBERN CCCn1ncc2c1ncc([N+](=O)[O-])c2Cl ZINC000165885954 343075902 /nfs/dbraw/zinc/07/59/02/343075902.db2.gz VZVFJDXLDFOCEJ-UHFFFAOYSA-N 0 0 240.650 2.403 10 5 BEBERN [NH3+]Cc1c(C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000165017444 343114999 /nfs/dbraw/zinc/11/49/99/343114999.db2.gz SLANWFIFVHLEQG-UHFFFAOYSA-N 0 0 249.314 2.039 10 5 BEBERN CC(=O)Nc1cc([N+](=O)[O-])cc(-n2cccc2)c1 ZINC000145265588 343157706 /nfs/dbraw/zinc/15/77/06/343157706.db2.gz DRGOFJJTSMPBBE-UHFFFAOYSA-N 0 0 245.238 2.344 10 5 BEBERN CCOC(=O)CCCc1ccc([N+](=O)[O-])cc1 ZINC000034410164 343270302 /nfs/dbraw/zinc/27/03/02/343270302.db2.gz GBQUMARXFYLSIJ-UHFFFAOYSA-N 0 0 237.255 2.481 10 5 BEBERN Cc1ccnn1-c1ccccc1[N+](=O)[O-] ZINC000048218347 343572971 /nfs/dbraw/zinc/57/29/71/343572971.db2.gz WYEIRMZQXXUZMP-UHFFFAOYSA-N 0 0 203.201 2.089 10 5 BEBERN O=[N+]([O-])c1ccccc1NC(=S)NC1CC1 ZINC000013790930 343664644 /nfs/dbraw/zinc/66/46/44/343664644.db2.gz ZBOAABATOVJKTN-UHFFFAOYSA-N 0 0 237.284 2.044 10 5 BEBERN O=[N+]([O-])c1cc(OC(F)F)c(F)cc1F ZINC000396128928 344611840 /nfs/dbraw/zinc/61/18/40/344611840.db2.gz WVPGTIJIAZVPRO-UHFFFAOYSA-N 0 0 225.097 2.474 10 5 BEBERN CC[C@H]1Cc2ccc([N+](=O)[O-])cc2C[N@@H+]1C ZINC000039102194 344847307 /nfs/dbraw/zinc/84/73/07/344847307.db2.gz GGWNUJMLWVRXCM-NSHDSACASA-N 0 0 220.272 2.361 10 5 BEBERN CC[C@H]1Cc2cc([N+](=O)[O-])ccc2NC1=O ZINC000039102217 344847329 /nfs/dbraw/zinc/84/73/29/344847329.db2.gz LEPMRBRAWRVSIC-ZETCQYMHSA-N 0 0 220.228 2.116 10 5 BEBERN C/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005132743 344960606 /nfs/dbraw/zinc/96/06/06/344960606.db2.gz MTICSDUTLDMTET-NSCUHMNNSA-N 0 0 206.201 2.109 10 5 BEBERN Cc1nccc2c(Cl)c([N+](=O)[O-])cnc12 ZINC000235790035 345869553 /nfs/dbraw/zinc/86/95/53/345869553.db2.gz CBSCDWRBSYANEI-UHFFFAOYSA-N 0 0 223.619 2.500 10 5 BEBERN O=[N+]([O-])c1ccnc(CF)c1OC(F)(F)F ZINC000390468628 346051051 /nfs/dbraw/zinc/05/10/51/346051051.db2.gz BGZHBXGSAOONLS-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN CC(C)c1nn(C)c(Cl)c1[N+](=O)[O-] ZINC000034061551 346192406 /nfs/dbraw/zinc/19/24/06/346192406.db2.gz SYHHDPKGNZTJBV-UHFFFAOYSA-N 0 0 203.629 2.105 10 5 BEBERN Cc1cccc(C(=O)N[C@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000171056763 179024032 /nfs/dbraw/zinc/02/40/32/179024032.db2.gz MPQGTUNVEIEUAE-SCZZXKLOSA-N 0 0 234.255 2.041 10 5 BEBERN O=[N+]([O-])c1ccccc1N[C@H]1CCC[C@@H](O)C1 ZINC000148553771 346317883 /nfs/dbraw/zinc/31/78/83/346317883.db2.gz WCQHTXNFJXIKIQ-VHSXEESVSA-N 0 0 236.271 2.310 10 5 BEBERN CC1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000102919839 346513946 /nfs/dbraw/zinc/51/39/46/346513946.db2.gz ULVWMMVBKGYHEW-UHFFFAOYSA-N 0 0 238.243 2.202 10 5 BEBERN Cc1cccc(N[C@@H]2CCC[C@H]2O)c1[N+](=O)[O-] ZINC000302645890 179155523 /nfs/dbraw/zinc/15/55/23/179155523.db2.gz JCWVBPOHTQRKSN-MWLCHTKSSA-N 0 0 236.271 2.229 10 5 BEBERN CCNc1ccc([N+](=O)[O-])c(NCC)c1 ZINC000169504692 346763149 /nfs/dbraw/zinc/76/31/49/346763149.db2.gz KYZKXAULYBNUSU-UHFFFAOYSA-N 0 0 209.249 2.458 10 5 BEBERN Cc1cccc(N[C@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000302645892 179157044 /nfs/dbraw/zinc/15/70/44/179157044.db2.gz JCWVBPOHTQRKSN-ONGXEEELSA-N 0 0 236.271 2.229 10 5 BEBERN CCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000005297093 168566432 /nfs/dbraw/zinc/56/64/32/168566432.db2.gz QGQDJJOVVKDXOQ-UHFFFAOYSA-N 0 0 208.217 2.333 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1N[C@H]1CCO[C@H]1C ZINC000134267148 179207091 /nfs/dbraw/zinc/20/70/91/179207091.db2.gz PPLKDUTYKCTVBG-UWVGGRQHSA-N 0 0 236.271 2.493 10 5 BEBERN Cc1cnc(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000616567884 347441169 /nfs/dbraw/zinc/44/11/69/347441169.db2.gz RJULHKOGVFFTNU-UHFFFAOYSA-N 0 0 236.149 2.239 10 5 BEBERN O=Cc1ccc2c([N+](=O)[O-])ccc(F)c2n1 ZINC000040537977 187393174 /nfs/dbraw/zinc/39/31/74/187393174.db2.gz ISOASPQEIVEYIL-UHFFFAOYSA-N 0 0 220.159 2.095 10 5 BEBERN Cc1cccc([N+](=O)[O-])c1NC1CC(CO)C1 ZINC000596570190 348582464 /nfs/dbraw/zinc/58/24/64/348582464.db2.gz WCPAHRGCBVQAPN-UHFFFAOYSA-N 0 0 236.271 2.086 10 5 BEBERN O=C1N=NC(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000034510828 350172006 /nfs/dbraw/zinc/17/20/06/350172006.db2.gz UESRQNZMQYMVKM-UHFFFAOYSA-N 0 0 220.144 2.107 10 5 BEBERN Cc1nn(C)c(Oc2cccc(N)c2)c1[N+](=O)[O-] ZINC000038056523 180361619 /nfs/dbraw/zinc/36/16/19/180361619.db2.gz YZZDMCIJPRNHBZ-UHFFFAOYSA-N 0 0 248.242 2.011 10 5 BEBERN C/C(=C/c1cccc2c1OCO2)[N+](=O)[O-] ZINC000033847041 350459973 /nfs/dbraw/zinc/45/99/73/350459973.db2.gz FFOGDLITZIVKQY-ALCCZGGFSA-N 0 0 207.185 2.053 10 5 BEBERN O=C1c2cc([N+](=O)[O-])ccc2CN1C1CCC1 ZINC000725266689 538097056 /nfs/dbraw/zinc/09/70/56/538097056.db2.gz IHTXSTRLJOJKPR-UHFFFAOYSA-N 0 0 232.239 2.103 10 5 BEBERN CCCCN1Cc2ccc([N+](=O)[O-])cc2C1=O ZINC000725266714 538097100 /nfs/dbraw/zinc/09/71/00/538097100.db2.gz XXZIUQCYRSLDGK-UHFFFAOYSA-N 0 0 234.255 2.351 10 5 BEBERN COc1cc(Br)c([N+](=O)[O-])cc1O ZINC000025501710 351021884 /nfs/dbraw/zinc/02/18/84/351021884.db2.gz WZVFUTFJQNFKST-UHFFFAOYSA-N 0 0 248.032 2.072 10 5 BEBERN Nc1c(F)ccc([N+](=O)[O-])c1Br ZINC000306914770 351327469 /nfs/dbraw/zinc/32/74/69/351327469.db2.gz SKGLNKLXJZUULZ-UHFFFAOYSA-N 0 0 235.012 2.079 10 5 BEBERN Cc1ccc(CO)c([N+](=O)[O-])c1Br ZINC000306913887 351328825 /nfs/dbraw/zinc/32/88/25/351328825.db2.gz QBVYKMKXEJVNKZ-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN Cc1cc(Cl)cc([N+](=O)[O-])c1C[NH3+] ZINC000307041042 351443770 /nfs/dbraw/zinc/44/37/70/351443770.db2.gz NPYZCTTUHSQVOT-UHFFFAOYSA-N 0 0 200.625 2.015 10 5 BEBERN Cc1cc(CO)c([N+](=O)[O-])cc1Cl ZINC000307101850 351476349 /nfs/dbraw/zinc/47/63/49/351476349.db2.gz AWMJGTMOEZECCA-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN Cc1cc([N+](=O)[O-])cc(Br)c1CO ZINC000307183359 351580748 /nfs/dbraw/zinc/58/07/48/351580748.db2.gz XPBDNGHSGIWTTN-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN O=c1[nH]c2c(cc(F)cc2[N+](=O)[O-])s1 ZINC000044713326 352384392 /nfs/dbraw/zinc/38/43/92/352384392.db2.gz PJKVTEYKDDZUJN-UHFFFAOYSA-N 0 0 214.177 2.049 10 5 BEBERN O=[N+]([O-])c1ccc(F)c(F)c1N1CCC1 ZINC000307539802 352644232 /nfs/dbraw/zinc/64/42/32/352644232.db2.gz VGBVRPRSFTWEEF-UHFFFAOYSA-N 0 0 214.171 2.083 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(Br)c1C=O ZINC000307539934 352644391 /nfs/dbraw/zinc/64/43/91/352644391.db2.gz ZPNLURNNPXREHB-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN CC(C)N(C)c1ccc([N+](=O)[O-])cc1C=O ZINC000034957017 187766189 /nfs/dbraw/zinc/76/61/89/187766189.db2.gz FEOAQYMWOWAYPF-UHFFFAOYSA-N 0 0 222.244 2.252 10 5 BEBERN C=Cc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1 ZINC000013832425 188106032 /nfs/dbraw/zinc/10/60/32/188106032.db2.gz LCNYCXOULVZWQU-UHFFFAOYSA-N 0 0 237.262 2.302 10 5 BEBERN CC(C)(C)OC(=O)N1CCC[C@@H]1CC[N+](=O)[O-] ZINC000091352966 188144170 /nfs/dbraw/zinc/14/41/70/188144170.db2.gz HPBSCRHLXDZWMX-SECBINFHSA-N 0 0 244.291 2.053 10 5 BEBERN COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F ZINC000001512539 355929167 /nfs/dbraw/zinc/92/91/67/355929167.db2.gz HIOCAQUUJNGLPF-UHFFFAOYSA-N 0 0 225.097 2.160 10 5 BEBERN CC[C@]1([N+](=O)[O-])O[C@H]1c1ccc(F)cc1 ZINC000213849393 363509841 /nfs/dbraw/zinc/50/98/41/363509841.db2.gz UXKZOICNUSNLME-UWVGGRQHSA-N 0 0 211.192 2.280 10 5 BEBERN Cc1cnc([C@@H](C)Nc2ccc([N+](=O)[O-])nc2)o1 ZINC000235212242 357857472 /nfs/dbraw/zinc/85/74/72/357857472.db2.gz JMXZQJODSARITM-MRVPVSSYSA-N 0 0 248.242 2.459 10 5 BEBERN COC(=O)c1ccc([C@H](C)OC)c([N+](=O)[O-])c1 ZINC000584606508 358266157 /nfs/dbraw/zinc/26/61/57/358266157.db2.gz BECBRQZQDIASIE-ZETCQYMHSA-N 0 0 239.227 2.089 10 5 BEBERN O=[N+]([O-])c1cccc([C@@H](O)c2ccccn2)c1 ZINC000584609056 358269986 /nfs/dbraw/zinc/26/99/86/358269986.db2.gz IFCLJTWWJPHCMS-GFCCVEGCSA-N 0 0 230.223 2.072 10 5 BEBERN Cc1ccc(C(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000584609324 358270519 /nfs/dbraw/zinc/27/05/19/358270519.db2.gz APBZAZQZOGBADM-UHFFFAOYSA-N 0 0 230.223 2.462 10 5 BEBERN Cc1c([N+](=O)[O-])cnn1Cc1ccc(F)cc1 ZINC000584619370 358285752 /nfs/dbraw/zinc/28/57/52/358285752.db2.gz ZYLJHLQSVLEEJG-UHFFFAOYSA-N 0 0 235.218 2.287 10 5 BEBERN Cn1nccc1-c1ncc([N+](=O)[O-])cc1Cl ZINC000584648723 358303220 /nfs/dbraw/zinc/30/32/20/358303220.db2.gz MQTCNOIPJNUNCT-UHFFFAOYSA-N 0 0 238.634 2.044 10 5 BEBERN COc1ccc2c(c1)oc1ncccc1c2=O ZINC000584638376 358323998 /nfs/dbraw/zinc/32/39/98/358323998.db2.gz QWURLELNXOTXSV-UHFFFAOYSA-N 0 0 227.219 2.350 10 5 BEBERN CC[C@H]([C@H](O)c1ccc(C)cc1)[N+](=O)[O-] ZINC000039294757 358962349 /nfs/dbraw/zinc/96/23/49/358962349.db2.gz LMBGBTDJYTYMSV-GHMZBOCLSA-N 0 0 209.245 2.084 10 5 BEBERN Cc1c(Cl)ccc([N+](=O)[O-])c1NO ZINC000306482547 360150203 /nfs/dbraw/zinc/15/02/03/360150203.db2.gz OGNBWSFYSSOFKZ-UHFFFAOYSA-N 0 0 202.597 2.358 10 5 BEBERN C=CC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000306533345 360394503 /nfs/dbraw/zinc/39/45/03/360394503.db2.gz CUZHTULFMYLCPH-UHFFFAOYSA-N 0 0 226.619 2.373 10 5 BEBERN O=Cc1c(F)ccc(Br)c1[N+](=O)[O-] ZINC000306599714 360521185 /nfs/dbraw/zinc/52/11/85/360521185.db2.gz HVUNNVNAMLMQKC-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN Nc1ccc(F)c(Br)c1[N+](=O)[O-] ZINC000306598528 360518422 /nfs/dbraw/zinc/51/84/22/360518422.db2.gz GDXFCBWBBSQYLS-UHFFFAOYSA-N 0 0 235.012 2.079 10 5 BEBERN Cc1c(OC(F)(F)F)nccc1[N+](=O)[O-] ZINC000238549435 361143555 /nfs/dbraw/zinc/14/35/55/361143555.db2.gz JZCUUIGXWYPXNV-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN Cc1cc([N+](=O)[O-])cnc1OC(F)(F)F ZINC000238554962 361150980 /nfs/dbraw/zinc/15/09/80/361150980.db2.gz MNDSSPNNBXRYDF-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN Cc1cc(C=O)c(Br)c([N+](=O)[O-])c1 ZINC000306616684 361171591 /nfs/dbraw/zinc/17/15/91/361171591.db2.gz PBJSKAQURULIDE-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN O=[N+]([O-])c1cc(F)ncc1OC(F)(F)F ZINC000238607970 361163088 /nfs/dbraw/zinc/16/30/88/361163088.db2.gz FJVZYPGKEFJELH-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1ccc2nc(-c3cscn3)cn2c1 ZINC000231510785 361211453 /nfs/dbraw/zinc/21/14/53/361211453.db2.gz BJWJQSLEAHVBLC-UHFFFAOYSA-N 0 0 246.251 2.366 10 5 BEBERN CC[C@@H](C=O)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000224978305 364507197 /nfs/dbraw/zinc/50/71/97/364507197.db2.gz DCOZLRHTURZMSR-CMPLNLGQSA-N 0 0 221.256 2.272 10 5 BEBERN CC(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000037729897 364559092 /nfs/dbraw/zinc/55/90/92/364559092.db2.gz WSJGQGVXDANHBH-UHFFFAOYSA-N 0 0 238.243 2.132 10 5 BEBERN CC(C)(C)[NH2+]Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000057394903 541516764 /nfs/dbraw/zinc/51/67/64/541516764.db2.gz AMKLBESURGVRQR-UHFFFAOYSA-N 0 0 224.260 2.189 10 5 BEBERN COc1c(F)c(F)cc(F)c1[N+](=O)[O-] ZINC000038416911 368252191 /nfs/dbraw/zinc/25/21/91/368252191.db2.gz YNJOOGPOZTXADS-UHFFFAOYSA-N 0 0 207.107 2.021 10 5 BEBERN Nc1ccc(-c2ccncc2)cc1[N+](=O)[O-] ZINC000038586863 368376333 /nfs/dbraw/zinc/37/63/33/368376333.db2.gz JJIIMBRBDKEWEV-UHFFFAOYSA-N 0 0 215.212 2.239 10 5 BEBERN O=[N+]([O-])c1c(Cl)cc(Cl)cc1CO ZINC000204792145 368399839 /nfs/dbraw/zinc/39/98/39/368399839.db2.gz RXUULDPWXJWUKM-UHFFFAOYSA-N 0 0 222.027 2.394 10 5 BEBERN Cc1cc(NCC2CC(O)C2)ccc1[N+](=O)[O-] ZINC000091538035 369432134 /nfs/dbraw/zinc/43/21/34/369432134.db2.gz YKOZZIIUROYEPT-UHFFFAOYSA-N 0 0 236.271 2.086 10 5 BEBERN Nc1nc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000034483942 181788652 /nfs/dbraw/zinc/78/86/52/181788652.db2.gz MORNFBAYYUEWSI-UHFFFAOYSA-N 0 0 245.238 2.151 10 5 BEBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H](O)C2)cc1 ZINC000603865715 371938583 /nfs/dbraw/zinc/93/85/83/371938583.db2.gz MZLLGXHUFBEYSF-CMPLNLGQSA-N 0 0 236.271 2.310 10 5 BEBERN O=[N+]([O-])c1c(Cl)cccc1-n1cccn1 ZINC000132710879 371902450 /nfs/dbraw/zinc/90/24/50/371902450.db2.gz WSNLYTKUHZJJTD-UHFFFAOYSA-N 0 0 223.619 2.434 10 5 BEBERN O=[N+]([O-])c1ccc(F)c(OCF)c1F ZINC000307364444 372115352 /nfs/dbraw/zinc/11/53/52/372115352.db2.gz KCYRZORXIHAFMK-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN O=[N+]([O-])c1nn(C2CCC2)cc1Br ZINC000307105171 372086013 /nfs/dbraw/zinc/08/60/13/372086013.db2.gz XNBPMWKHFQNGDU-UHFFFAOYSA-N 0 0 246.064 2.279 10 5 BEBERN O=[N+]([O-])c1cccc([C@H]2CN3CCSC3=N2)c1 ZINC000004213983 372171093 /nfs/dbraw/zinc/17/10/93/372171093.db2.gz RFAYUIIWPKWNKY-SNVBAGLBSA-N 0 0 249.295 2.054 10 5 in-man BEBERN Cc1cc(C(=O)N[C@H]2C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000171044854 372272272 /nfs/dbraw/zinc/27/22/72/372272272.db2.gz HNWUHUWTBDOWMA-KWQFWETISA-N 0 0 234.255 2.041 10 5 BEBERN O=[N+]([O-])[C@H]1COc2ccc3ccccc3c2C1 ZINC000038813244 372778990 /nfs/dbraw/zinc/77/89/90/372778990.db2.gz WGXALWJMEKYERY-SNVBAGLBSA-N 0 0 229.235 2.420 10 5 BEBERN O=[N+]([O-])[C@@H]1COc2ccc3ccccc3c2C1 ZINC000038813243 372779116 /nfs/dbraw/zinc/77/91/16/372779116.db2.gz WGXALWJMEKYERY-JTQLQIEISA-N 0 0 229.235 2.420 10 5 BEBERN O=C(COc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000124290865 182000121 /nfs/dbraw/zinc/00/01/21/182000121.db2.gz IPVRLTMAADWNRL-UHFFFAOYSA-N 0 0 239.202 2.092 10 5 BEBERN CSc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000039269523 372923522 /nfs/dbraw/zinc/92/35/22/372923522.db2.gz ORRBEKAGKSBWCY-UHFFFAOYSA-N 0 0 213.214 2.045 10 5 BEBERN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccco1 ZINC000040454633 373274939 /nfs/dbraw/zinc/27/49/39/373274939.db2.gz ZMEKVZFIGAHLRB-SSDOTTSWSA-N 0 0 234.215 2.151 10 5 BEBERN CC(C)(C)CNc1ccncc1[N+](=O)[O-] ZINC000040494200 373332043 /nfs/dbraw/zinc/33/20/43/373332043.db2.gz APWCDRLHQLRDQM-UHFFFAOYSA-N 0 0 209.249 2.448 10 5 BEBERN O=C(NC1CCC1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000052210621 182107156 /nfs/dbraw/zinc/10/71/56/182107156.db2.gz PXNBQGCOLZBQHC-UHFFFAOYSA-N 0 0 238.218 2.016 10 5 BEBERN O=[N+]([O-])c1cccc(CO)c1C(F)(F)F ZINC000143537653 374197185 /nfs/dbraw/zinc/19/71/85/374197185.db2.gz QRPSUURHMCJRIQ-UHFFFAOYSA-N 0 0 221.134 2.106 10 5 BEBERN CC[C@@H](Nc1ncc([N+](=O)[O-])cn1)C(C)C ZINC000042590766 374276025 /nfs/dbraw/zinc/27/60/25/374276025.db2.gz GAXQYVKSMSTEFI-SECBINFHSA-N 0 0 224.264 2.231 10 5 BEBERN O=C(c1ccc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000006320824 182665589 /nfs/dbraw/zinc/66/55/89/182665589.db2.gz OLBZXLMVXOLTRU-UHFFFAOYSA-N 0 0 216.196 2.154 10 5 BEBERN CCCCOc1ccc(N)cc1[N+](=O)[O-] ZINC000002379299 168918523 /nfs/dbraw/zinc/91/85/23/168918523.db2.gz XOQGCSUIKIRRRV-UHFFFAOYSA-N 0 0 210.233 2.356 10 5 BEBERN O=[N+]([O-])c1coc2cccc([N+](=O)[O-])c21 ZINC000095932327 182947710 /nfs/dbraw/zinc/94/77/10/182947710.db2.gz MGMTWSCIMITCMW-UHFFFAOYSA-N 0 0 208.129 2.249 10 5 BEBERN O=[N+]([O-])c1ccc(OCC2(Cl)N=N2)cc1 ZINC000169487206 182938857 /nfs/dbraw/zinc/93/88/57/182938857.db2.gz BSXSEOIYSVEJOX-UHFFFAOYSA-N 0 0 227.607 2.332 10 5 BEBERN OCc1ccc2nc3ccccc3nc2c1 ZINC000039121624 183167083 /nfs/dbraw/zinc/16/70/83/183167083.db2.gz JBDPGNDJZURPQW-UHFFFAOYSA-N 0 0 210.236 2.275 10 5 BEBERN CCCNC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000013790912 169254913 /nfs/dbraw/zinc/25/49/13/169254913.db2.gz ZTFGZXANJXZAEV-UHFFFAOYSA-N 0 0 239.300 2.291 10 5 BEBERN CCCNc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000053750440 169295676 /nfs/dbraw/zinc/29/56/76/169295676.db2.gz ZWDJPHWNFWAFQH-UHFFFAOYSA-N 0 0 248.242 2.467 10 5 BEBERN CCCOC(=O)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000145150640 384106324 /nfs/dbraw/zinc/10/63/24/384106324.db2.gz POGQLNCWLRCWIL-UHFFFAOYSA-N 0 0 239.231 2.136 10 5 BEBERN O=[N+]([O-])c1cc2[nH]cc(Br)cc-2n1 ZINC000071654866 384236541 /nfs/dbraw/zinc/23/65/41/384236541.db2.gz AOZNZCIXBYVKCW-UHFFFAOYSA-N 0 0 242.032 2.234 10 5 BEBERN CCN(CC)c1cc(C(C)=O)c([N+](=O)[O-])cn1 ZINC000033369569 384314606 /nfs/dbraw/zinc/31/46/06/384314606.db2.gz HLYJIMMBSDEPKO-UHFFFAOYSA-N 0 0 237.259 2.039 10 5 BEBERN CC(=O)c1cc(OC(F)F)c([N+](=O)[O-])cc1O ZINC000575663168 384423393 /nfs/dbraw/zinc/42/33/93/384423393.db2.gz RBNKDDGOFIVHPF-UHFFFAOYSA-N 0 0 247.153 2.104 10 5 BEBERN Cc1cc(C=O)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575667472 384442267 /nfs/dbraw/zinc/44/22/67/384442267.db2.gz NLBKMQJUXGOZND-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN O=Cc1cc2cc([N+](=O)[O-])cnc2s1 ZINC000536956030 384804174 /nfs/dbraw/zinc/80/41/74/384804174.db2.gz TTWJUADAXYQWGK-UHFFFAOYSA-N 0 0 208.198 2.017 10 5 BEBERN CCS(=O)(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000105714007 384879951 /nfs/dbraw/zinc/87/99/51/384879951.db2.gz GFJNBXZKGVVXDH-QMMMGPOBSA-N 0 0 243.284 2.091 10 5 BEBERN C[C@H]1OCC[C@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000147852941 384860549 /nfs/dbraw/zinc/86/05/49/384860549.db2.gz BGBROCMZWCMODV-VXNVDRBHSA-N 0 0 240.234 2.323 10 5 BEBERN CC(=O)c1c(N)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575719453 384891693 /nfs/dbraw/zinc/89/16/93/384891693.db2.gz CTFXGUFJXNCUAD-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN COc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H]2C)c1 ZINC000085485904 385199556 /nfs/dbraw/zinc/19/95/56/385199556.db2.gz HIURZBLNBGPGPR-APPZFPTMSA-N 0 0 222.244 2.424 10 5 BEBERN CCS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000072266433 385144790 /nfs/dbraw/zinc/14/47/90/385144790.db2.gz GVQYDVJVQMEDOP-UHFFFAOYSA-N 0 0 249.675 2.042 10 5 BEBERN O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCCOC1 ZINC000110445235 385239352 /nfs/dbraw/zinc/23/93/52/385239352.db2.gz VXLYWHLICSIINP-MRVPVSSYSA-N 0 0 240.234 2.325 10 5 BEBERN CCOC(=O)c1cc(C)cc([N+](=O)[O-])c1F ZINC000260656224 385364889 /nfs/dbraw/zinc/36/48/89/385364889.db2.gz VHOCBMQIOZYOOB-UHFFFAOYSA-N 0 0 227.191 2.219 10 5 BEBERN O=C1CCc2cc([N+](=O)[O-])ccc2N1CC1CC1 ZINC000095829357 385662719 /nfs/dbraw/zinc/66/27/19/385662719.db2.gz BJOXVWYEYBLYGN-UHFFFAOYSA-N 0 0 246.266 2.284 10 5 BEBERN C[C@@H]1C[C@@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000052291116 385721245 /nfs/dbraw/zinc/72/12/45/385721245.db2.gz BCJMDCZIJJTWRM-RITPCOANSA-N 0 0 238.272 2.124 10 5 BEBERN CCOC(=O)c1cc([N+](=O)[O-])c(Cl)nc1C ZINC000260794891 385965342 /nfs/dbraw/zinc/96/53/42/385965342.db2.gz UWTJGLWHYQBUCP-UHFFFAOYSA-N 0 0 244.634 2.128 10 5 BEBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1OC ZINC000261202218 386014241 /nfs/dbraw/zinc/01/42/41/386014241.db2.gz LNLOWBNKSDDDGG-UHFFFAOYSA-N 0 0 245.618 2.043 10 5 BEBERN Nc1ccc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000052886387 386261349 /nfs/dbraw/zinc/26/13/49/386261349.db2.gz GCFOYCVTZWWQDP-UHFFFAOYSA-N 0 0 215.212 2.239 10 5 BEBERN Cc1cccc(CNc2ccc([N+](=O)[O-])cn2)n1 ZINC000048346465 386578105 /nfs/dbraw/zinc/57/81/05/386578105.db2.gz JTQCUBIVDQGSFZ-UHFFFAOYSA-N 0 0 244.254 2.305 10 5 BEBERN Cc1c(Br)cc(C=O)cc1[N+](=O)[O-] ZINC000307506019 386698959 /nfs/dbraw/zinc/69/89/59/386698959.db2.gz YBSFVZVAWNYUTC-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN CCOC(=O)Cc1cc(C)c([N+](=O)[O-])c(F)c1 ZINC000575397280 386997698 /nfs/dbraw/zinc/99/76/98/386997698.db2.gz QYEDCQHISGDKPK-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOC(=O)Cc1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000575397267 386998051 /nfs/dbraw/zinc/99/80/51/386998051.db2.gz HQMKSDLVCHZUAD-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOC(=O)Cc1c(C)ccc(F)c1[N+](=O)[O-] ZINC000575397286 386998055 /nfs/dbraw/zinc/99/80/55/386998055.db2.gz XCZZXBFUWXMCMG-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOC(=O)Cc1cc([N+](=O)[O-])c(C)cc1F ZINC000575397273 386998084 /nfs/dbraw/zinc/99/80/84/386998084.db2.gz MSFISOYPOXBKEE-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOC(=O)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000575397156 386998586 /nfs/dbraw/zinc/99/85/86/386998586.db2.gz SBUJTXFZFCFZJE-UHFFFAOYSA-N 0 0 237.255 2.317 10 5 BEBERN CCc1cc(CO)cc([N+](=O)[O-])c1OC(F)F ZINC000575659435 387047094 /nfs/dbraw/zinc/04/70/94/387047094.db2.gz MHOQGLAZCHVNOX-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN COc1ccc(OC(F)F)c(F)c1[N+](=O)[O-] ZINC000575661029 387050406 /nfs/dbraw/zinc/05/04/06/387050406.db2.gz GCLURLIQMZNZPG-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN CCc1ccc(CO)c(OC(F)F)c1[N+](=O)[O-] ZINC000575657950 387050971 /nfs/dbraw/zinc/05/09/71/387050971.db2.gz CJHKZHDRCIOFQU-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CCc1cc([N+](=O)[O-])cc(OC(F)F)c1CO ZINC000575658011 387051354 /nfs/dbraw/zinc/05/13/54/387051354.db2.gz DOUYBRDHNIMMAG-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CCc1c(OC(F)F)ccc([N+](=O)[O-])c1CO ZINC000575657958 387051618 /nfs/dbraw/zinc/05/16/18/387051618.db2.gz COSKCKXEGUKYTF-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN O=Cc1cc(F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575660895 387054572 /nfs/dbraw/zinc/05/45/72/387054572.db2.gz CHAOBUZOPGMWIF-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN COc1cc(OC(F)F)c(F)cc1[N+](=O)[O-] ZINC000575661384 387060188 /nfs/dbraw/zinc/06/01/88/387060188.db2.gz NUBZPYSLCZTFCJ-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN O=Cc1ccc(F)c([N+](=O)[O-])c1OC(F)F ZINC000575661375 387060391 /nfs/dbraw/zinc/06/03/91/387060391.db2.gz MZSWYLWWYSNDEV-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN COc1cc(F)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575661358 387060792 /nfs/dbraw/zinc/06/07/92/387060792.db2.gz MJEBZBLWBVXABG-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN O=Cc1cc([N+](=O)[O-])c(OC(F)F)cc1F ZINC000575661972 387164886 /nfs/dbraw/zinc/16/48/86/387164886.db2.gz XSHWTQBZUQTHNT-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(OC(F)F)c1O ZINC000575665173 387313643 /nfs/dbraw/zinc/31/36/43/387313643.db2.gz BMVCIKAPMCBBQQ-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN COc1c(C=O)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575665667 387315957 /nfs/dbraw/zinc/31/59/57/387315957.db2.gz SFPFPOJYPUMBBI-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN COc1cc(C=O)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575664506 387290847 /nfs/dbraw/zinc/29/08/47/387290847.db2.gz HLRSUEUKUCJRKK-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN COc1c(C=O)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575664447 387291355 /nfs/dbraw/zinc/29/13/55/387291355.db2.gz FRLNNDUJXKXIBN-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN O=[N+]([O-])[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1c1ccccc1 ZINC000575602880 387366392 /nfs/dbraw/zinc/36/63/92/387366392.db2.gz YWNJLWLIMVBXOS-DDHJBXDOSA-N 0 0 203.241 2.455 10 5 BEBERN CCN(CC)c1ccc([C@@H](C)O)cc1[N+](=O)[O-] ZINC000035631082 387377991 /nfs/dbraw/zinc/37/79/91/387377991.db2.gz IEDLZEFZDDTYSX-SECBINFHSA-N 0 0 238.287 2.494 10 5 BEBERN CCOc1c(CO)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575667169 387321182 /nfs/dbraw/zinc/32/11/82/387321182.db2.gz PGPNYICQVPOKQE-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN Cc1c(OC(F)F)c(C=O)ccc1[N+](=O)[O-] ZINC000575668227 387324849 /nfs/dbraw/zinc/32/48/49/387324849.db2.gz SIMGSOCXMWKKDJ-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN Cc1cc(OC(F)F)cc([N+](=O)[O-])c1C=O ZINC000575668033 387325655 /nfs/dbraw/zinc/32/56/55/387325655.db2.gz PXZOGLFIHAKSSY-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN Cc1ccc(C=O)c(OC(F)F)c1[N+](=O)[O-] ZINC000575669023 387325696 /nfs/dbraw/zinc/32/56/96/387325696.db2.gz XGTHQRKAIOUVJJ-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN Cc1c(C=O)c([N+](=O)[O-])ccc1OC(F)F ZINC000575668375 387326114 /nfs/dbraw/zinc/32/61/14/387326114.db2.gz VOUVZRCXIRTOJC-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN O=[N+]([O-])c1cc(F)c(C(F)F)cc1CO ZINC000575669844 387331632 /nfs/dbraw/zinc/33/16/32/387331632.db2.gz PYXUZUCYVDDNSZ-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN COc1cc(C(F)F)c(C=O)c([N+](=O)[O-])c1 ZINC000575671457 387334874 /nfs/dbraw/zinc/33/48/74/387334874.db2.gz KSMAVLDZNIKQOR-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN COc1cc(C=O)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575671319 387335071 /nfs/dbraw/zinc/33/50/71/387335071.db2.gz ITGIUERAXTUGMZ-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1C(N)=O ZINC000575673438 387338505 /nfs/dbraw/zinc/33/85/05/387338505.db2.gz KGUPZLOZQVLTNQ-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN COc1cc(C(F)F)cc([N+](=O)[O-])c1C=O ZINC000575671915 387341345 /nfs/dbraw/zinc/34/13/45/387341345.db2.gz OQJQLDUAQXVEMA-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN COc1cc(C)c([N+](=O)[O-])c(C(C)=O)c1 ZINC000575674553 387343048 /nfs/dbraw/zinc/34/30/48/387343048.db2.gz RPCMLRFNYDFWIE-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN Cc1cc(C(N)=O)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575673831 387343318 /nfs/dbraw/zinc/34/33/18/387343318.db2.gz OFCUSUBNZOPPDM-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN CC(=O)c1c(Cl)ccc(N)c1[N+](=O)[O-] ZINC000575716658 387433902 /nfs/dbraw/zinc/43/39/02/387433902.db2.gz UIPFGJOIFGVBPQ-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1c([N+](=O)[O-])cc(N)cc1C(F)(F)F ZINC000575719719 387439859 /nfs/dbraw/zinc/43/98/59/387439859.db2.gz GSDNSJBWDZHZNB-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN CC(=O)c1cc(C(F)(F)F)cc(N)c1[N+](=O)[O-] ZINC000575719784 387440603 /nfs/dbraw/zinc/44/06/03/387440603.db2.gz KBKLJFSUOZCRGK-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(OC(F)F)c1N ZINC000575720619 387442376 /nfs/dbraw/zinc/44/23/76/387442376.db2.gz BGQDNMACXSBKAW-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN CC(=O)c1cc(C(F)(F)F)c([N+](=O)[O-])cc1N ZINC000575720537 387443314 /nfs/dbraw/zinc/44/33/14/387443314.db2.gz YPBPIHCNHCRWCO-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN Cc1ccc(N)c(OC(F)F)c1[N+](=O)[O-] ZINC000575721532 387445013 /nfs/dbraw/zinc/44/50/13/387445013.db2.gz RHXAEALUKGGDAR-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Cc1cc(OC(F)F)cc(N)c1[N+](=O)[O-] ZINC000575721637 387445284 /nfs/dbraw/zinc/44/52/84/387445284.db2.gz VMDFSABLMAKBDU-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Nc1c(Cl)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575722766 387446213 /nfs/dbraw/zinc/44/62/13/387446213.db2.gz SWRIZFADJIHLTI-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN CCOc1cc(F)c([N+](=O)[O-])cc1OC ZINC000575697328 387391284 /nfs/dbraw/zinc/39/12/84/387391284.db2.gz WDVIJFVNSVBETQ-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(C)c1OC ZINC000575698780 387391772 /nfs/dbraw/zinc/39/17/72/387391772.db2.gz JSGUOPOLPGIRGB-UHFFFAOYSA-N 0 0 211.217 2.311 10 5 BEBERN CCOc1cc(CC)c([N+](=O)[O-])cc1O ZINC000575697583 387392448 /nfs/dbraw/zinc/39/24/48/387392448.db2.gz ZQOUBGVZCIKZER-UHFFFAOYSA-N 0 0 211.217 2.262 10 5 BEBERN CCOc1cc(C(C)=O)c(OC)c([N+](=O)[O-])c1 ZINC000575698449 387393751 /nfs/dbraw/zinc/39/37/51/387393751.db2.gz QCRNVIGWZSHFRC-UHFFFAOYSA-N 0 0 239.227 2.205 10 5 BEBERN CCc1cc([N+](=O)[O-])cc(OC)c1OC ZINC000575695114 387393946 /nfs/dbraw/zinc/39/39/46/387393946.db2.gz DXEIVJJZFBOBRW-UHFFFAOYSA-N 0 0 211.217 2.174 10 5 BEBERN CCc1c(OC)ccc([N+](=O)[O-])c1OC ZINC000575694846 387394444 /nfs/dbraw/zinc/39/44/44/387394444.db2.gz CDBQTIQQXUPKBF-UHFFFAOYSA-N 0 0 211.217 2.174 10 5 BEBERN CCOc1c(OC)ccc([N+](=O)[O-])c1OC ZINC000575694676 387394747 /nfs/dbraw/zinc/39/47/47/387394747.db2.gz AUNKEBJGMKGDHM-UHFFFAOYSA-N 0 0 227.216 2.011 10 5 BEBERN CCOc1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000575696114 387396161 /nfs/dbraw/zinc/39/61/61/387396161.db2.gz JMHWMVOKIXRXSM-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(OC)cc1OC ZINC000575696897 387396900 /nfs/dbraw/zinc/39/69/00/387396900.db2.gz UFNOLGMDLBBPSU-UHFFFAOYSA-N 0 0 227.216 2.011 10 5 BEBERN CCc1cc(OC)c([N+](=O)[O-])c(OC)c1 ZINC000575696754 387397859 /nfs/dbraw/zinc/39/78/59/387397859.db2.gz QVZIMEBUJXQDEK-UHFFFAOYSA-N 0 0 211.217 2.174 10 5 BEBERN COc1cc(SC)c([N+](=O)[O-])cc1F ZINC000575707471 387410416 /nfs/dbraw/zinc/41/04/16/387410416.db2.gz AIWRTCQGYQSPKE-UHFFFAOYSA-N 0 0 217.221 2.464 10 5 BEBERN CSc1ccc([N+](=O)[O-])c(C=O)c1F ZINC000575709620 387413403 /nfs/dbraw/zinc/41/34/03/387413403.db2.gz MJFRWTLTNFZDAH-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN O=[N+]([O-])c1c(CO)ccc(F)c1C(F)(F)F ZINC000575710552 387415652 /nfs/dbraw/zinc/41/56/52/387415652.db2.gz JTEYOJPDASBJKV-UHFFFAOYSA-N 0 0 239.124 2.245 10 5 BEBERN COC(=O)Cc1cc(Cl)c([N+](=O)[O-])cc1F ZINC000575713238 387416611 /nfs/dbraw/zinc/41/66/11/387416611.db2.gz UKVJAMXWBCWZJI-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COC(=O)c1c(Cl)cc(F)cc1[N+](=O)[O-] ZINC000575712544 387417448 /nfs/dbraw/zinc/41/74/48/387417448.db2.gz JMIPSFNGIHYEDI-UHFFFAOYSA-N 0 0 233.582 2.174 10 5 BEBERN Cc1sc(C(=O)N[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000075516860 387524468 /nfs/dbraw/zinc/52/44/68/387524468.db2.gz VRUHXTAAICZKTF-FSPLSTOPSA-N 0 0 240.284 2.103 10 5 BEBERN COc1cc(N)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575729556 387467291 /nfs/dbraw/zinc/46/72/91/387467291.db2.gz MWIGBTCTMDISIH-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1c(N)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575728963 387469362 /nfs/dbraw/zinc/46/93/62/387469362.db2.gz ICRQESKZJMXUTO-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1ccc(C(F)(F)F)c([N+](=O)[O-])c1C=O ZINC000575730924 387473747 /nfs/dbraw/zinc/47/37/47/387473747.db2.gz VHLSFWAPUOGSHG-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1cc(OC)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575653147 387894068 /nfs/dbraw/zinc/89/40/68/387894068.db2.gz XZZPMAANHVKDRX-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN C[C@@H](CCCO)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000094944753 388434174 /nfs/dbraw/zinc/43/41/74/388434174.db2.gz QNNIXWAXYPOQMQ-QMMMGPOBSA-N 0 0 242.250 2.307 10 5 BEBERN CSC[C@H](C)N(C)c1ncccc1[N+](=O)[O-] ZINC000301329470 388579923 /nfs/dbraw/zinc/57/99/23/388579923.db2.gz KCONVPDYNDQEOA-QMMMGPOBSA-N 0 0 241.316 2.178 10 5 BEBERN O=[N+]([O-])c1ccc(N2C[C@H]3CC=CC[C@@H]3C2)nc1 ZINC000301434108 388582894 /nfs/dbraw/zinc/58/28/94/388582894.db2.gz RHSZYRKRHFRJTQ-GHMZBOCLSA-N 0 0 245.282 2.392 10 5 BEBERN O=[N+]([O-])c1c[nH]c2ncc(Cl)c(F)c21 ZINC000095937018 388791820 /nfs/dbraw/zinc/79/18/20/388791820.db2.gz YPMLOIUVRSZLKG-UHFFFAOYSA-N 0 0 215.571 2.264 10 5 BEBERN CC[C@H](C)c1cc([N+](=O)[O-])cc(N)c1N ZINC000095930817 388791057 /nfs/dbraw/zinc/79/10/57/388791057.db2.gz NGGIZFFKRAORNW-LURJTMIESA-N 0 0 209.249 2.273 10 5 BEBERN O=[N+]([O-])c1ccc(NCCC2=CCOCC2)nc1 ZINC000158034773 133496425 /nfs/dbraw/zinc/49/64/25/133496425.db2.gz XNJSTHYJJRBEOM-UHFFFAOYSA-N 0 0 249.270 2.139 10 5 BEBERN Cc1cnc([C@H](C)Nc2ccc([N+](=O)[O-])cn2)o1 ZINC000226546883 134366177 /nfs/dbraw/zinc/36/61/77/134366177.db2.gz KSYHBKXAELQXIC-QMMMGPOBSA-N 0 0 248.242 2.459 10 5 BEBERN COc1cccc(N[C@@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000129695775 134613191 /nfs/dbraw/zinc/61/31/91/134613191.db2.gz SHMUHLLBTQGKJF-IONNQARKSA-N 0 0 222.244 2.424 10 5 BEBERN COc1ccc([N+](=O)[O-])c(Nc2cnn(C)c2)c1 ZINC000155803466 134699178 /nfs/dbraw/zinc/69/91/78/134699178.db2.gz VORZHGUWVZTMEU-UHFFFAOYSA-N 0 0 248.242 2.081 10 5 BEBERN Cn1nc(Cl)c([N+](=O)[O-])c1C(F)(F)F ZINC000034062658 134802935 /nfs/dbraw/zinc/80/29/35/134802935.db2.gz FLHJFSYGFJOUGD-UHFFFAOYSA-N 0 0 229.545 2.001 10 5 BEBERN C[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H]1CCCO1 ZINC000189682150 134945687 /nfs/dbraw/zinc/94/56/87/134945687.db2.gz FTFCGFDEOGPFRQ-RQJHMYQMSA-N 0 0 243.288 2.031 10 5 BEBERN CC(C)CCNc1cc([N+](=O)[O-])ccn1 ZINC000043567630 166867338 /nfs/dbraw/zinc/86/73/38/166867338.db2.gz HCIXDGCUEGYNHQ-UHFFFAOYSA-N 0 0 209.249 2.448 10 5 BEBERN CCNc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000050868087 170172620 /nfs/dbraw/zinc/17/26/20/170172620.db2.gz SDDBTIHWKOSJCI-UHFFFAOYSA-N 0 0 244.254 2.484 10 5 BEBERN CC[C@H](C)NC(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000037247966 171337271 /nfs/dbraw/zinc/33/72/71/171337271.db2.gz KLDIAJWSMQQFSW-ZETCQYMHSA-N 0 0 240.234 2.262 10 5 BEBERN CN(c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000169743844 172947230 /nfs/dbraw/zinc/94/72/30/172947230.db2.gz WFQCODVXYXCKLK-UHFFFAOYSA-N 0 0 236.271 2.210 10 5 BEBERN COc1c(OC2CC2)cccc1[N+](=O)[O-] ZINC000095729874 174935959 /nfs/dbraw/zinc/93/59/59/174935959.db2.gz SBVBTYVXPZYGNK-UHFFFAOYSA-N 0 0 209.201 2.145 10 5 BEBERN COc1cc(OC2CC2)cc([N+](=O)[O-])c1 ZINC000095730542 175012274 /nfs/dbraw/zinc/01/22/74/175012274.db2.gz XTJJZIQLPYXFOB-UHFFFAOYSA-N 0 0 209.201 2.145 10 5 BEBERN COc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000003172374 175018000 /nfs/dbraw/zinc/01/80/00/175018000.db2.gz ZZLPEKOQZJRMOY-UHFFFAOYSA-N 0 0 232.579 2.165 10 5 BEBERN COc1ccc(N[C@@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000052291650 175154466 /nfs/dbraw/zinc/15/44/66/175154466.db2.gz PBLCPRJWKGAQEG-GMSGAONNSA-N 0 0 222.244 2.424 10 5 BEBERN COc1ccc(O)c2c(=O)c3ccccc3[nH]c12 ZINC000058602550 175160714 /nfs/dbraw/zinc/16/07/14/175160714.db2.gz ZPFLJIZHPROJLE-UHFFFAOYSA-N 0 0 241.246 2.396 10 5 BEBERN COc1cccc(OC2CC2)c1[N+](=O)[O-] ZINC000095728685 175282341 /nfs/dbraw/zinc/28/23/41/175282341.db2.gz NIIVBLVVGTULPR-UHFFFAOYSA-N 0 0 209.201 2.145 10 5 BEBERN CSCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000169332059 175531536 /nfs/dbraw/zinc/53/15/36/175531536.db2.gz WNFNKTDYYOOWIS-UHFFFAOYSA-N 0 0 228.229 2.366 10 5 BEBERN CSc1cc(OC2CC2)c([N+](=O)[O-])cn1 ZINC000095732459 175573188 /nfs/dbraw/zinc/57/31/88/175573188.db2.gz VWIVJSZIPYBKSV-UHFFFAOYSA-N 0 0 226.257 2.253 10 5 BEBERN C[C@@H](Nc1cn[nH]c1)c1ccc([N+](=O)[O-])cc1 ZINC000035763552 175935476 /nfs/dbraw/zinc/93/54/76/175935476.db2.gz WIDWYVWDZRKNIS-MRVPVSSYSA-N 0 0 232.243 2.491 10 5 BEBERN C[C@@H]1CCCN1CC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000037911668 176108212 /nfs/dbraw/zinc/10/82/12/176108212.db2.gz JEYJAWUNGQANHW-SNVBAGLBSA-N 0 0 248.282 2.262 10 5 BEBERN C[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1C=O ZINC000033592606 176111754 /nfs/dbraw/zinc/11/17/54/176111754.db2.gz HLUBKVXZEDMPPE-SECBINFHSA-N 0 0 234.255 2.396 10 5 BEBERN C[C@@H]1CCc2cc(F)cc([N+](=O)[O-])c2N1 ZINC000034537460 176239342 /nfs/dbraw/zinc/23/93/42/176239342.db2.gz ZKBYYUCLCRPWFR-ZCFIWIBFSA-N 0 0 210.208 2.481 10 5 BEBERN C[C@@H]1C[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000122197016 176398267 /nfs/dbraw/zinc/39/82/67/176398267.db2.gz WEKPWAPKEPVTTG-HTQZYQBOSA-N 0 0 207.233 2.058 10 5 BEBERN C[C@H](C1CCCC1)n1ncc([N+](=O)[O-])c1N ZINC000054081650 176595143 /nfs/dbraw/zinc/59/51/43/176595143.db2.gz PGWIFJJIOZRTGU-SSDOTTSWSA-N 0 0 224.264 2.125 10 5 BEBERN C[C@@H](O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000087138749 177023110 /nfs/dbraw/zinc/02/31/10/177023110.db2.gz MTQYCPMIROROJW-RQJHMYQMSA-N 0 0 245.662 2.396 10 5 BEBERN C[C@H]1C[C@@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000075959386 177347695 /nfs/dbraw/zinc/34/76/95/177347695.db2.gz RSAXIGGEKHZMBK-XVKPBYJWSA-N 0 0 235.243 2.125 10 5 BEBERN C[C@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227651183 177350591 /nfs/dbraw/zinc/35/05/91/177350591.db2.gz JFIOSODZZTVWFA-XNCJUZBTSA-N 0 0 227.651 2.464 10 5 BEBERN C[C@H]1C[C@@H]1Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000052297874 177350658 /nfs/dbraw/zinc/35/06/58/177350658.db2.gz XLZUKJHMKWXFCK-WDSKDSINSA-N 0 0 227.651 2.464 10 5 BEBERN CC(C)(CCO)c1ccc([N+](=O)[O-])cc1 ZINC000057348412 519225771 /nfs/dbraw/zinc/22/57/71/519225771.db2.gz JZPOWJUJVLABMI-UHFFFAOYSA-N 0 0 209.245 2.255 10 5 BEBERN O=c1[nH]c2ccccc2c2cc3c(cc12)OCO3 ZINC000000899992 560179444 /nfs/dbraw/zinc/17/94/44/560179444.db2.gz NVOXRHIABFKYOT-UHFFFAOYSA-N 0 0 239.230 2.410 10 5 biogenic,in-vitro BEBERN COC1CC(Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000230599730 632817393 /nfs/dbraw/zinc/81/73/93/632817393.db2.gz GDLZZCYKUQBCOJ-UHFFFAOYSA-N 0 0 236.271 2.493 10 5 BEBERN COC1CC(Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000230594964 632818203 /nfs/dbraw/zinc/81/82/03/632818203.db2.gz SMPAIBDURHNVCL-UHFFFAOYSA-N 0 0 240.234 2.323 10 5 BEBERN Cc1cc(N[C@@H](C)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000309942253 633966012 /nfs/dbraw/zinc/96/60/12/633966012.db2.gz BZBMOVNCGBEJQG-DTWKUNHWSA-N 0 0 224.260 2.084 10 5 BEBERN C[C@@H](O)[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000309982396 634026824 /nfs/dbraw/zinc/02/68/24/634026824.db2.gz WTIQANNHWWTNHC-NKWVEPMBSA-N 0 0 244.678 2.429 10 5 BEBERN Cc1ccc(N[C@@H](C)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000336781414 635282287 /nfs/dbraw/zinc/28/22/87/635282287.db2.gz UPXHHECYIPYJTG-DTWKUNHWSA-N 0 0 224.260 2.084 10 5 BEBERN Cc1cc(N[C@@H](C)[C@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000359952695 711787597 /nfs/dbraw/zinc/78/75/97/711787597.db2.gz PCSLDLSGWFBREO-YUMQZZPRSA-N 0 0 242.250 2.224 10 5 BEBERN CC(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000111691134 712688280 /nfs/dbraw/zinc/68/82/80/712688280.db2.gz YXSGUMSKAOMFTP-NSHDSACASA-N 0 0 248.282 2.400 10 5 BEBERN C[C@@H]1O[C@@H]2CCCC[C@@]23CCC[N@+]1([O-])C3 ZINC000257478681 717178254 /nfs/dbraw/zinc/17/82/54/717178254.db2.gz LWVOWKXWHFNTLO-RNJOBUHISA-N 0 0 211.305 2.400 10 5 BEBERN Cc1cc([N+](=O)[O-])cc2c3n[nH]c(=O)c-3c[nH]c12 ZINC000072236863 178271040 /nfs/dbraw/zinc/27/10/40/178271040.db2.gz PFJZZEQSFJGORS-UHFFFAOYSA-N 0 0 244.210 2.033 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1-c1cc(N)on1 ZINC000044747818 178271270 /nfs/dbraw/zinc/27/12/70/178271270.db2.gz WXDXNCWPORKAIU-UHFFFAOYSA-N 0 0 219.200 2.140 10 5 BEBERN Cc1ccc(-c2n[nH]cc2C=O)cc1[N+](=O)[O-] ZINC000034956911 178331637 /nfs/dbraw/zinc/33/16/37/178331637.db2.gz FOFOBJNNJAZXAU-UHFFFAOYSA-N 0 0 231.211 2.106 10 5 BEBERN O=[N+]([O-])c1ccsc1N[C@@H]1CCC[C@@H](O)C1 ZINC000309604625 342745484 /nfs/dbraw/zinc/74/54/84/342745484.db2.gz XOVQUBPZTHEZQQ-HTQZYQBOSA-N 0 0 242.300 2.372 10 5 BEBERN COC(=O)/C=C/c1ccc(C)cc1[N+](=O)[O-] ZINC000138077780 342753897 /nfs/dbraw/zinc/75/38/97/342753897.db2.gz DXYZYMTYVKJVQO-AATRIKPKSA-N 0 0 221.212 2.089 10 5 BEBERN COc1cc2cccnc2c2[nH]ccc(=O)c12 ZINC000005423230 342763923 /nfs/dbraw/zinc/76/39/23/342763923.db2.gz GNAZSBYXAGVNNZ-UHFFFAOYSA-N 0 0 226.235 2.085 10 5 BEBERN O=[N+]([O-])c1ccc2c(c1)CCC[C@@H]1O[C@H]21 ZINC000016083236 342906036 /nfs/dbraw/zinc/90/60/36/342906036.db2.gz VSLPWKQDNQKZNQ-WDEREUQCSA-N 0 0 205.213 2.371 10 5 BEBERN O=[N+]([O-])c1ccc(F)c(CN2CCCC2)c1 ZINC000117772458 343016126 /nfs/dbraw/zinc/01/61/26/343016126.db2.gz DSVQTJPQOBZVBI-UHFFFAOYSA-N 0 0 224.235 2.330 10 5 BEBERN O=Cc1ccc(Br)c([N+](=O)[O-])c1F ZINC000306663543 362022164 /nfs/dbraw/zinc/02/21/64/362022164.db2.gz VTZQXDMNCHPPIO-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN CCC(=O)c1ccc(NC(C)=O)c([N+](=O)[O-])c1 ZINC000200579510 343302038 /nfs/dbraw/zinc/30/20/38/343302038.db2.gz SGUWHSHXLDNMIP-UHFFFAOYSA-N 0 0 236.227 2.146 10 5 BEBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]2O)c(F)c1 ZINC000077994290 343371265 /nfs/dbraw/zinc/37/12/65/343371265.db2.gz XNDKRUSGKDFRRI-MNOVXSKESA-N 0 0 240.234 2.059 10 5 BEBERN O=[N+]([O-])c1ccc(N2CC[C@H]3CCC[C@@H]32)nc1 ZINC000408362619 133476835 /nfs/dbraw/zinc/47/68/35/133476835.db2.gz PRWHTEVGCFKUKT-KOLCDFICSA-N 0 0 233.271 2.369 10 5 BEBERN O=[N+]([O-])/C(=C/c1ccccc1)CCCO ZINC000205178257 343618609 /nfs/dbraw/zinc/61/86/09/343618609.db2.gz IVTHSAUVIKSWRC-PKNBQFBNSA-N 0 0 207.229 2.077 10 5 BEBERN Nc1ccc([N+](=O)[O-])c(NCc2ccccc2)n1 ZINC000128361955 346952908 /nfs/dbraw/zinc/95/29/08/346952908.db2.gz NVYQWICCCSNSPU-UHFFFAOYSA-N 0 0 244.254 2.184 10 5 BEBERN Nc1ccc([N+](=O)[O-])cc1[C@@H](O)c1ccccc1 ZINC000021951335 343822913 /nfs/dbraw/zinc/82/29/13/343822913.db2.gz FAPGAKBUPIMZPZ-ZDUSSCGKSA-N 0 0 244.250 2.259 10 5 BEBERN COc1ccc(O)c(C(C)C)c1[N+](=O)[O-] ZINC000090530335 343934764 /nfs/dbraw/zinc/93/47/64/343934764.db2.gz MKCSXRVFIMJCSM-UHFFFAOYSA-N 0 0 211.217 2.432 10 5 BEBERN Cc1nn(C)cc1Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000220211214 344109085 /nfs/dbraw/zinc/10/90/85/344109085.db2.gz VPOJAGVAEBEFMJ-UHFFFAOYSA-N 0 0 247.258 2.084 10 5 BEBERN O=[N+]([O-])c1c(F)ccc(F)c1OC(F)F ZINC000396124061 344609494 /nfs/dbraw/zinc/60/94/94/344609494.db2.gz AANYDFZZWCJOBJ-UHFFFAOYSA-N 0 0 225.097 2.474 10 5 BEBERN O=[N+]([O-])c1cc(OC(F)F)cc(F)c1F ZINC000396126739 344609700 /nfs/dbraw/zinc/60/97/00/344609700.db2.gz NEERYSOQXNGBPO-UHFFFAOYSA-N 0 0 225.097 2.474 10 5 BEBERN O=[N+]([O-])c1cccnc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000078371357 344855424 /nfs/dbraw/zinc/85/54/24/344855424.db2.gz HOPKQMWMAIVWFB-GHMZBOCLSA-N 0 0 245.282 2.392 10 5 BEBERN Cc1nsc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000039110361 344881421 /nfs/dbraw/zinc/88/14/21/344881421.db2.gz JFCLLGAHGPPTBU-UHFFFAOYSA-N 0 0 221.241 2.422 10 5 BEBERN C[C@@H](O)c1cccc([N+](=O)[O-])c1Br ZINC000238389255 345036183 /nfs/dbraw/zinc/03/61/83/345036183.db2.gz MXSDMMCLOITJKV-RXMQYKEDSA-N 0 0 246.060 2.411 10 5 BEBERN CC[C@@]1([N+](=O)[O-])O[C@H]1c1ccc(F)cc1 ZINC000205908496 345757154 /nfs/dbraw/zinc/75/71/54/345757154.db2.gz UXKZOICNUSNLME-VHSXEESVSA-N 0 0 211.192 2.280 10 5 BEBERN COC(=O)C(C)(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000214467462 345760514 /nfs/dbraw/zinc/76/05/14/345760514.db2.gz INILESAOKIEKQI-UHFFFAOYSA-N 0 0 237.255 2.354 10 5 BEBERN Cn1ncc([N+](=O)[O-])c1C1=CCC=CCC1 ZINC000219617473 345859313 /nfs/dbraw/zinc/85/93/13/345859313.db2.gz PNOOXYRASLCGBY-UHFFFAOYSA-N 0 0 219.244 2.452 10 5 BEBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]1C ZINC000171048997 178931429 /nfs/dbraw/zinc/93/14/29/178931429.db2.gz JPUPTUNDKDNAEV-KWQFWETISA-N 0 0 234.255 2.041 10 5 BEBERN CC[S@](C)(=O)=Nc1ccc([N+](=O)[O-])cc1 ZINC000142986467 345882509 /nfs/dbraw/zinc/88/25/09/345882509.db2.gz OMMASPAGKBFUFE-HNNXBMFYSA-N 0 0 228.273 2.344 10 5 BEBERN Cc1nc(Cl)nc2ccc([N+](=O)[O-])cc12 ZINC000167295128 346230371 /nfs/dbraw/zinc/23/03/71/346230371.db2.gz XWLYSGAVACVFIB-UHFFFAOYSA-N 0 0 223.619 2.500 10 5 BEBERN Cc1c(-c2cscn2)cncc1[N+](=O)[O-] ZINC000669379388 537980077 /nfs/dbraw/zinc/98/00/77/537980077.db2.gz CSCDYCWKJNJPDR-UHFFFAOYSA-N 0 0 221.241 2.422 10 5 BEBERN Cc1nsc(-c2cncc([N+](=O)[O-])c2C)n1 ZINC000669379821 537982154 /nfs/dbraw/zinc/98/21/54/537982154.db2.gz HIVCOEPORAKJAP-UHFFFAOYSA-N 0 0 236.256 2.125 10 5 BEBERN COc1cc(-c2cncc([N+](=O)[O-])c2C)ccn1 ZINC000725242430 537983771 /nfs/dbraw/zinc/98/37/71/537983771.db2.gz DNHNVOAJZBXCDH-UHFFFAOYSA-N 0 0 245.238 2.369 10 5 BEBERN CCc1cccc([N+](=O)[O-])c1NC(C)=O ZINC000118835747 347246659 /nfs/dbraw/zinc/24/66/59/347246659.db2.gz UIMSJZSDMRRHEL-UHFFFAOYSA-N 0 0 208.217 2.116 10 5 BEBERN COc1cccc2c3ccncc3c(=O)oc12 ZINC000196287515 347492646 /nfs/dbraw/zinc/49/26/46/347492646.db2.gz NKGJRTRPUAAQBE-UHFFFAOYSA-N 0 0 227.219 2.350 10 5 BEBERN C=CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000037007276 348010324 /nfs/dbraw/zinc/01/03/24/348010324.db2.gz ZPOWCDRJYBRWRR-UHFFFAOYSA-N 0 0 206.201 2.028 10 5 BEBERN Cc1nc(Cl)nc(NC(C)C)c1[N+](=O)[O-] ZINC000004243398 179991323 /nfs/dbraw/zinc/99/13/23/179991323.db2.gz CHDQCUPBIWWILB-UHFFFAOYSA-N 0 0 230.655 2.167 10 5 BEBERN Cc1ncc(/C=C\c2cnc([N+](=O)[O-])o2)o1 ZINC000039110371 180123324 /nfs/dbraw/zinc/12/33/24/180123324.db2.gz PQZWFYZWNPLXBT-IHWYPQMZSA-N 0 0 221.172 2.050 10 5 BEBERN CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000034196908 350464410 /nfs/dbraw/zinc/46/44/10/350464410.db2.gz HAAYRLITTXBZOP-UHFFFAOYSA-N 0 0 203.201 2.185 10 5 BEBERN Cc1nn([C@@H](C)CC(C)C)c(N)c1[N+](=O)[O-] ZINC000043670488 180392077 /nfs/dbraw/zinc/39/20/77/180392077.db2.gz VWLVTIXDFXOCBA-ZETCQYMHSA-N 0 0 226.280 2.289 10 5 BEBERN Cc1noc(CNc2ccc([N+](=O)[O-])cc2C)n1 ZINC000037980907 180490058 /nfs/dbraw/zinc/49/00/58/180490058.db2.gz PDUBUOIZZFFJPR-UHFFFAOYSA-N 0 0 248.242 2.207 10 5 BEBERN CC1(C)C[C@H]1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455885 187465473 /nfs/dbraw/zinc/46/54/73/187465473.db2.gz IBHOIDRBVRTRFY-RXMQYKEDSA-N 0 0 242.666 2.249 10 5 BEBERN Cc1cc(CO)cc([N+](=O)[O-])c1Cl ZINC000306819967 351089460 /nfs/dbraw/zinc/08/94/60/351089460.db2.gz MDHUEGVTEKUFNT-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN C[C@@H](O)c1cccc([N+](=O)[O-])c1Cl ZINC000034733571 351186848 /nfs/dbraw/zinc/18/68/48/351186848.db2.gz VVADBPKLKRAERG-RXMQYKEDSA-N 0 0 201.609 2.302 10 5 BEBERN Cc1cc(C=O)cc(Br)c1[N+](=O)[O-] ZINC000306903195 351317654 /nfs/dbraw/zinc/31/76/54/351317654.db2.gz RPYXENLPRAPNEL-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN O=c1[nH]c2ccc(Cl)cc2cc1[N+](=O)[O-] ZINC000168318765 351375624 /nfs/dbraw/zinc/37/56/24/351375624.db2.gz DCFSVROKUVGKOB-UHFFFAOYSA-N 0 0 224.603 2.090 10 5 BEBERN Cc1cc(C=O)cc([N+](=O)[O-])c1Br ZINC000307074701 351464711 /nfs/dbraw/zinc/46/47/11/351464711.db2.gz BBAPYZHKTNZFDN-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN Cc1c(Br)c(C=O)ccc1[N+](=O)[O-] ZINC000307508692 352627392 /nfs/dbraw/zinc/62/73/92/352627392.db2.gz NNLOJWOIMBKBCC-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN Cc1cnc(/C=C\c2cnc([N+](=O)[O-])o2)o1 ZINC000039110372 188110387 /nfs/dbraw/zinc/11/03/87/188110387.db2.gz XBCNUWMTQWXTFJ-IHWYPQMZSA-N 0 0 221.172 2.050 10 5 BEBERN CC(=O)CCCOc1ccc([N+](=O)[O-])cc1F ZINC000038082133 188117248 /nfs/dbraw/zinc/11/72/48/188117248.db2.gz PJXUZCMOBYEBJJ-UHFFFAOYSA-N 0 0 241.218 2.482 10 5 BEBERN Cc1cccc(CNc2ccc([N+](=O)[O-])nc2)n1 ZINC000048346413 188124319 /nfs/dbraw/zinc/12/43/19/188124319.db2.gz XTKQNQUBPNNPDO-UHFFFAOYSA-N 0 0 244.254 2.305 10 5 BEBERN CC(C)COCCNc1ncccc1[N+](=O)[O-] ZINC000076847774 188222029 /nfs/dbraw/zinc/22/20/29/188222029.db2.gz NWSBULZMYXYJIB-UHFFFAOYSA-N 0 0 239.275 2.074 10 5 BEBERN Nc1cc(Sc2ncccn2)ccc1[N+](=O)[O-] ZINC000167194405 188225889 /nfs/dbraw/zinc/22/58/89/188225889.db2.gz IIMLZJUQKRJELH-UHFFFAOYSA-N 0 0 248.267 2.118 10 5 BEBERN O=[N+]([O-])c1c(Cl)cncc1Br ZINC000095930499 188500754 /nfs/dbraw/zinc/50/07/54/188500754.db2.gz BJDCBDIJNGXVIT-UHFFFAOYSA-N 0 0 237.440 2.406 10 5 BEBERN Cc1ccc(-n2ccc([N+](=O)[O-])n2)cc1 ZINC000584613428 358277628 /nfs/dbraw/zinc/27/76/28/358277628.db2.gz JODAFVSKKAAKCQ-UHFFFAOYSA-N 0 0 203.201 2.089 10 5 BEBERN C[C@H]1CCOC(=O)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000584609003 358269903 /nfs/dbraw/zinc/26/99/03/358269903.db2.gz TVNHJFHZSVXJCG-KWQFWETISA-N 0 0 235.239 2.261 10 5 BEBERN O=[N+]([O-])c1cccc2c1nc1ccccn12 ZINC000584652286 358307591 /nfs/dbraw/zinc/30/75/91/358307591.db2.gz MHXGRMDWCVWMDO-UHFFFAOYSA-N 0 0 213.196 2.396 10 5 BEBERN O=[N+]([O-])c1c(F)c(F)c(F)c([N+](=O)[O-])c1F ZINC000584657069 358308630 /nfs/dbraw/zinc/30/86/30/358308630.db2.gz AVHKVIUFFPXUPZ-UHFFFAOYSA-N 0 0 240.068 2.059 10 5 BEBERN O=c1oc2ccccc2c2cccc(CCO)c12 ZINC000584640069 358325508 /nfs/dbraw/zinc/32/55/08/358325508.db2.gz JWISXRFWUSSOPB-UHFFFAOYSA-N 0 0 240.258 2.481 10 5 BEBERN C[C@H](NO)c1cc([N+](=O)[O-])ccc1Cl ZINC000306257756 359473953 /nfs/dbraw/zinc/47/39/53/359473953.db2.gz RBDJHQMNPNSHON-YFKPBYRVSA-N 0 0 216.624 2.288 10 5 BEBERN Cc1c(Cl)ccc([N+](=O)[O-])c1CO ZINC000306516254 360340190 /nfs/dbraw/zinc/34/01/90/360340190.db2.gz BKZJLEVYWFWCRQ-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN O=[N+]([O-])c1nn(CC(F)(F)F)cc1Cl ZINC000069760094 360406569 /nfs/dbraw/zinc/40/65/69/360406569.db2.gz UFHGFBKUMWEFHP-UHFFFAOYSA-N 0 0 229.545 2.007 10 5 BEBERN O=[N+]([O-])c1ccc(OCF)c(F)c1F ZINC000306559372 360434023 /nfs/dbraw/zinc/43/40/23/360434023.db2.gz LILQCJUNFJJRMJ-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN COc1cc(OC(F)F)cc([N+](=O)[O-])c1 ZINC000238402826 360995688 /nfs/dbraw/zinc/99/56/88/360995688.db2.gz IDIPDIPWYBKRJM-UHFFFAOYSA-N 0 0 219.143 2.205 10 5 BEBERN Cc1ncc([N+](=O)[O-])cc1OC(F)(F)F ZINC000238480077 361098631 /nfs/dbraw/zinc/09/86/31/361098631.db2.gz PWTLVPPFVWRZIY-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN O=[N+]([O-])c1cc(Cl)cc(Br)n1 ZINC000306614279 361141394 /nfs/dbraw/zinc/14/13/94/361141394.db2.gz LRZBOGBLQFUFSC-UHFFFAOYSA-N 0 0 237.440 2.406 10 5 BEBERN Cc1cnc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000238535822 361142457 /nfs/dbraw/zinc/14/24/57/361142457.db2.gz KCUWXSXFSOYLIJ-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN O=[N+]([O-])c1nc(F)ccc1OC(F)(F)F ZINC000238533109 361143327 /nfs/dbraw/zinc/14/33/27/361143327.db2.gz HGUPYNFMXVSFCV-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN Cc1nc([N+](=O)[O-])ccc1OC(F)(F)F ZINC000238545620 361146806 /nfs/dbraw/zinc/14/68/06/361146806.db2.gz AJRFANSBGAUBQG-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN Cc1cccc(Nc2ncccc2[N+](=O)[O-])n1 ZINC000139088547 361565394 /nfs/dbraw/zinc/56/53/94/361565394.db2.gz ZAUNDGHWOMEVPW-UHFFFAOYSA-N 0 0 230.227 2.437 10 5 BEBERN CCn1ncc2c1cc([N+](=O)[O-])cc2C ZINC000224409228 368366766 /nfs/dbraw/zinc/36/67/66/368366766.db2.gz GXGIHZRZQNKMQT-UHFFFAOYSA-N 0 0 205.217 2.273 10 5 BEBERN Cc1c(F)c(F)c(F)c(F)c1[N+](=O)[O-] ZINC000142265396 368348599 /nfs/dbraw/zinc/34/85/99/368348599.db2.gz JADJTLCYWJWYKD-UHFFFAOYSA-N 0 0 209.098 2.460 10 5 BEBERN Nc1nc2cc(C=O)ccc2c2cccnc12 ZINC000115016563 368967375 /nfs/dbraw/zinc/96/73/75/368967375.db2.gz QTVUCBMGHUGTSC-UHFFFAOYSA-N 0 0 223.235 2.178 10 5 BEBERN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000111254237 370118564 /nfs/dbraw/zinc/11/85/64/370118564.db2.gz HWWJJOQUXFLIKK-SSDOTTSWSA-N 0 0 242.250 2.305 10 5 BEBERN Cc1cc2c(cc1[N+](=O)[O-])C(=O)CCC2 ZINC000115059702 370618583 /nfs/dbraw/zinc/61/85/83/370618583.db2.gz OOICOHXQFSMXSU-UHFFFAOYSA-N 0 0 205.213 2.422 10 5 BEBERN N[C@@H](c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000035379494 181633454 /nfs/dbraw/zinc/63/34/54/181633454.db2.gz RETQJFWPOWSJDP-LLVKDONJSA-N 0 0 218.212 2.236 10 5 BEBERN Nc1nc(/C=C\c2ccc([N+](=O)[O-])o2)cs1 ZINC000083324216 181778471 /nfs/dbraw/zinc/77/84/71/181778471.db2.gz PJXJAGDUUTVQRV-UPHRSURJSA-N 0 0 237.240 2.397 10 5 BEBERN Nc1nc(Oc2ccc([N+](=O)[O-])cc2)cs1 ZINC000100460230 181788513 /nfs/dbraw/zinc/78/85/13/181788513.db2.gz QSXGMNMDMHYKEW-UHFFFAOYSA-N 0 0 237.240 2.426 10 5 BEBERN NC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl ZINC000226790084 371744902 /nfs/dbraw/zinc/74/49/02/371744902.db2.gz XJESTPUTSFDYSY-UHFFFAOYSA-N 0 0 235.026 2.001 10 5 BEBERN Nc1cc(F)cc([N+](=O)[O-])c1Br ZINC000306602365 372044570 /nfs/dbraw/zinc/04/45/70/372044570.db2.gz LEBHNBCBXHNQRP-UHFFFAOYSA-N 0 0 235.012 2.079 10 5 BEBERN O=Cc1c(F)ccc([N+](=O)[O-])c1Br ZINC000306609754 372045597 /nfs/dbraw/zinc/04/55/97/372045597.db2.gz ZCSRICKPIGXKOE-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN Cc1c(CO)ccc(Cl)c1[N+](=O)[O-] ZINC000306902647 372077698 /nfs/dbraw/zinc/07/76/98/372077698.db2.gz RAULFCSILZTYFD-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN O=[N+]([O-])c1cc(F)c(Cl)cc1NO ZINC000307180342 372095065 /nfs/dbraw/zinc/09/50/65/372095065.db2.gz NZHIJPNNDXOHCM-UHFFFAOYSA-N 0 0 206.560 2.188 10 5 BEBERN C=Cc1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000039086993 372861045 /nfs/dbraw/zinc/86/10/45/372861045.db2.gz NKFURLAGJJHFGT-UHFFFAOYSA-N 0 0 207.185 2.024 10 5 BEBERN O=[N+]([O-])c1cccc(Cn2cccc2)c1 ZINC000039185820 372896963 /nfs/dbraw/zinc/89/69/63/372896963.db2.gz YFOCXFPXFAMHPO-UHFFFAOYSA-N 0 0 202.213 2.445 10 5 BEBERN COc1cc(C=O)cc([N+](=O)[O-])c1OC(F)F ZINC000041298706 374131580 /nfs/dbraw/zinc/13/15/80/374131580.db2.gz JOBABOQEBYQXET-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN O=Cc1cc(F)c([N+](=O)[O-])c(Br)c1 ZINC000095830540 182863249 /nfs/dbraw/zinc/86/32/49/182863249.db2.gz WVACBERNMUBJAD-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN O=[N+]([O-])c1cc(F)cc(OCCCCCO)c1 ZINC000135365743 182923605 /nfs/dbraw/zinc/92/36/05/182923605.db2.gz CVPRYSDHDOYABB-UHFFFAOYSA-N 0 0 243.234 2.275 10 5 BEBERN O=[N+]([O-])c1ccc(F)cc1NCc1cn[nH]c1 ZINC000052119824 182934009 /nfs/dbraw/zinc/93/40/09/182934009.db2.gz IDJVQNHYFZQNKR-UHFFFAOYSA-N 0 0 236.206 2.069 10 5 BEBERN O=c1c2ccccc2[nH]c2ccccc2c1=O ZINC000077291353 182982773 /nfs/dbraw/zinc/98/27/73/182982773.db2.gz JDPDFSIEJKKSEC-UHFFFAOYSA-N 0 0 223.231 2.042 10 5 in-vitro BEBERN O=c1cccc2n(CCO)c3ccccc3cc1-2 ZINC000055161096 183002343 /nfs/dbraw/zinc/00/23/43/183002343.db2.gz MJXKAQFWERWPDU-UHFFFAOYSA-N 0 0 239.274 2.099 10 5 BEBERN CCCN(C)c1ccc([C@H](C)O)cc1[N+](=O)[O-] ZINC000035631675 169088885 /nfs/dbraw/zinc/08/88/85/169088885.db2.gz PVZWYAAORCLTPJ-VIFPVBQESA-N 0 0 238.287 2.494 10 5 BEBERN CCC[C@@H](C)n1nc(C)c([N+](=O)[O-])c1N ZINC000043670753 169375631 /nfs/dbraw/zinc/37/56/31/169375631.db2.gz UMSQOHDSYVQRKR-ZCFIWIBFSA-N 0 0 212.253 2.043 10 5 BEBERN CCCc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000001670452 169568119 /nfs/dbraw/zinc/56/81/19/169568119.db2.gz SYSWOELRQPHJBC-UHFFFAOYSA-N 0 0 209.201 2.276 10 5 BEBERN CCCc1noc(-c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000037606331 169600002 /nfs/dbraw/zinc/60/00/02/169600002.db2.gz NOEJICRENLKBEJ-UHFFFAOYSA-N 0 0 248.242 2.180 10 5 BEBERN COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1C ZINC000039150531 384270359 /nfs/dbraw/zinc/27/03/59/384270359.db2.gz OBEIQHRWPFVXDA-UHFFFAOYSA-N 0 0 229.619 2.343 10 5 BEBERN CCOc1cc(OC)c(C(C)=O)c([N+](=O)[O-])c1 ZINC000575698586 384712149 /nfs/dbraw/zinc/71/21/49/384712149.db2.gz YYLYTWGAMVFFEH-UHFFFAOYSA-N 0 0 239.227 2.205 10 5 BEBERN CC(C)c1nnc(Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000072236648 384841062 /nfs/dbraw/zinc/84/10/62/384841062.db2.gz NGXHJMHVCPDAQZ-UHFFFAOYSA-N 0 0 246.270 2.427 10 5 BEBERN CC(C)(C)[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000282912386 385211743 /nfs/dbraw/zinc/21/17/43/385211743.db2.gz FTWDRBZRCJBNFJ-LLVKDONJSA-N 0 0 239.271 2.381 10 5 BEBERN C=Cc1c(C(=O)OC)cccc1[N+](=O)[O-] ZINC000034502682 385285621 /nfs/dbraw/zinc/28/56/21/385285621.db2.gz XWAZRPUTQOQRRN-UHFFFAOYSA-N 0 0 207.185 2.024 10 5 BEBERN Cc1ccccc1-c1ncncc1[N+](=O)[O-] ZINC000584645451 385701080 /nfs/dbraw/zinc/70/10/80/385701080.db2.gz NKOHOEMTFOIMKQ-UHFFFAOYSA-N 0 0 215.212 2.360 10 5 BEBERN C[C@@H]1C[C@H]1Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000052297877 385721707 /nfs/dbraw/zinc/72/17/07/385721707.db2.gz XLZUKJHMKWXFCK-PHDIDXHHSA-N 0 0 227.651 2.464 10 5 BEBERN CCOC(=O)c1c(C)c([N+](=O)[O-])ccc1F ZINC000260491654 385880316 /nfs/dbraw/zinc/88/03/16/385880316.db2.gz KXTKOFUNHHIYDD-UHFFFAOYSA-N 0 0 227.191 2.219 10 5 BEBERN CCOc1ccc([C@H](C)O)cc1[N+](=O)[O-] ZINC000058825975 386213374 /nfs/dbraw/zinc/21/33/74/386213374.db2.gz DRPUSJOUJCFJSL-ZETCQYMHSA-N 0 0 211.217 2.047 10 5 BEBERN CCOC(=O)Cc1ccc(C)c([N+](=O)[O-])c1F ZINC000575397276 386998430 /nfs/dbraw/zinc/99/84/30/386998430.db2.gz PMQDLRGJQJYQBI-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOC(=O)Cc1ccc(C)c([N+](=O)[O-])c1C ZINC000575397154 386998599 /nfs/dbraw/zinc/99/85/99/386998599.db2.gz LYUGQKINMAPNAQ-UHFFFAOYSA-N 0 0 237.255 2.317 10 5 BEBERN CCOC(=O)Cc1cc(C)cc(C)c1[N+](=O)[O-] ZINC000575397155 386999019 /nfs/dbraw/zinc/99/90/19/386999019.db2.gz OMVLFVQDFSTRTA-UHFFFAOYSA-N 0 0 237.255 2.317 10 5 BEBERN CCc1cc(OC(F)F)c(O)cc1[N+](=O)[O-] ZINC000575658482 387047830 /nfs/dbraw/zinc/04/78/30/387047830.db2.gz BUELQYDDNGOZOK-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN COc1c(F)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575661028 387050699 /nfs/dbraw/zinc/05/06/99/387050699.db2.gz GBZLKZAYJPOEBR-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN COc1c(OC(F)F)ccc(F)c1[N+](=O)[O-] ZINC000575661063 387051365 /nfs/dbraw/zinc/05/13/65/387051365.db2.gz HRYLLSWHXZBTPN-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN CCc1c(OC(F)F)cc(CO)cc1[N+](=O)[O-] ZINC000575659969 387052799 /nfs/dbraw/zinc/05/27/99/387052799.db2.gz QOOFJXQBSWCRSR-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CCc1cc(CO)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575660117 387052887 /nfs/dbraw/zinc/05/28/87/387052887.db2.gz SKMCNLYKTASPKK-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CC(=O)c1cc(O)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575662853 387194721 /nfs/dbraw/zinc/19/47/21/387194721.db2.gz KOVIHSOYWBZOHA-UHFFFAOYSA-N 0 0 247.153 2.104 10 5 BEBERN O=[N+]([O-])c1ccc2n[nH]c(C(F)(F)F)c2c1 ZINC000089195922 387258705 /nfs/dbraw/zinc/25/87/05/387258705.db2.gz NDFUTIIKIMYTNS-UHFFFAOYSA-N 0 0 231.133 2.490 10 5 BEBERN CCOC(=O)c1c(C)ccc([N+](=O)[O-])c1OC ZINC000575675669 387358253 /nfs/dbraw/zinc/35/82/53/387358253.db2.gz WMNQBKUQAMKXRZ-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN CCOC(=O)c1ccc([N+](=O)[O-])c(OC)c1C ZINC000575674934 387358626 /nfs/dbraw/zinc/35/86/26/387358626.db2.gz WACRJLWVQALABA-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN COc1c(Br)cc(O)cc1[N+](=O)[O-] ZINC000575690870 387381169 /nfs/dbraw/zinc/38/11/69/387381169.db2.gz DZGYPRXDFNOREH-UHFFFAOYSA-N 0 0 248.032 2.072 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(CO)c1C(F)F ZINC000575667658 387323870 /nfs/dbraw/zinc/32/38/70/387323870.db2.gz TYQPMFIACMJQBA-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN Cc1cc(O)cc([N+](=O)[O-])c1OC(F)F ZINC000575669052 387325142 /nfs/dbraw/zinc/32/51/42/387325142.db2.gz XSWHDPVGYXMXSK-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN Cc1cc([N+](=O)[O-])cc(OC(F)F)c1O ZINC000575669068 387325615 /nfs/dbraw/zinc/32/56/15/387325615.db2.gz XYXCJYCSHKHXLU-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN O=[N+]([O-])c1cc(CO)cc(F)c1C(F)F ZINC000575669592 387328652 /nfs/dbraw/zinc/32/86/52/387328652.db2.gz DWSLMMRTYCBAIN-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN COc1c(O)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575669454 387328702 /nfs/dbraw/zinc/32/87/02/387328702.db2.gz WBMGJAAABNAVOY-UHFFFAOYSA-N 0 0 219.143 2.247 10 5 BEBERN COc1cc(C(F)F)c([N+](=O)[O-])cc1O ZINC000575669428 387329986 /nfs/dbraw/zinc/32/99/86/387329986.db2.gz VCGPHWQANOVPQC-UHFFFAOYSA-N 0 0 219.143 2.247 10 5 BEBERN COc1cc(C(F)F)c([N+](=O)[O-])cc1C=O ZINC000575672181 387338232 /nfs/dbraw/zinc/33/82/32/387338232.db2.gz RVZGIYXTMXONIG-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN COc1cc(C(F)F)c([N+](=O)[O-])cc1CO ZINC000575672342 387338456 /nfs/dbraw/zinc/33/84/56/387338456.db2.gz ZHHPEVMSGVSAEM-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C(N)=O ZINC000575673150 387339400 /nfs/dbraw/zinc/33/94/00/387339400.db2.gz CNFKEWATLJTAMI-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN CC(=O)c1cc([N+](=O)[O-])c(N)cc1C(F)(F)F ZINC000575719794 387439261 /nfs/dbraw/zinc/43/92/61/387439261.db2.gz KWOCHCXFBFHLKN-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN CC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1N ZINC000575719830 387439753 /nfs/dbraw/zinc/43/97/53/387439753.db2.gz LWBDEMXUVQUORI-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN CC(=O)c1cc(N)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575719743 387440312 /nfs/dbraw/zinc/44/03/12/387440312.db2.gz IDLZRAHXANDAJE-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN Cc1cc(N)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575720828 387442228 /nfs/dbraw/zinc/44/22/28/387442228.db2.gz DMBCZYZMCVRBJH-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Cc1cc(N)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575721192 387443436 /nfs/dbraw/zinc/44/34/36/387443436.db2.gz JRSMIHLKXPFQHB-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Cc1c(OC(F)F)c(N)ccc1[N+](=O)[O-] ZINC000575721799 387444146 /nfs/dbraw/zinc/44/41/46/387444146.db2.gz ZJNRTWYXRTWLOL-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Nc1cc([N+](=O)[O-])cc(Cl)c1OC(F)F ZINC000575722087 387444457 /nfs/dbraw/zinc/44/44/57/387444457.db2.gz FKFYXXKDFJDCIB-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Nc1c(OC(F)F)c(Cl)ccc1[N+](=O)[O-] ZINC000575722202 387445388 /nfs/dbraw/zinc/44/53/88/387445388.db2.gz HQKMSQSBWYUMRX-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(OC)cc1F ZINC000575695332 387395845 /nfs/dbraw/zinc/39/58/45/387395845.db2.gz FKZXFURLZXFQEA-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(CC)c1CO ZINC000575696459 387397807 /nfs/dbraw/zinc/39/78/07/387397807.db2.gz PKOMVSRRSSMTSZ-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN CCOc1cc(C)cc(C=O)c1[N+](=O)[O-] ZINC000575698847 387401838 /nfs/dbraw/zinc/40/18/38/387401838.db2.gz MIHXJYNJNFPEJH-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN COC(=O)Cc1c(F)cc(Cl)cc1[N+](=O)[O-] ZINC000575712864 387416538 /nfs/dbraw/zinc/41/65/38/387416538.db2.gz PLXDSFMZBUYIHI-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COC(=O)c1c(Cl)cc([N+](=O)[O-])cc1OC ZINC000575713126 387416788 /nfs/dbraw/zinc/41/67/88/387416788.db2.gz PNFRNGSIVUDQTQ-UHFFFAOYSA-N 0 0 245.618 2.043 10 5 BEBERN CC=C=CC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000584626941 387504033 /nfs/dbraw/zinc/50/40/33/387504033.db2.gz RPRQKUZHTNXFAU-UHFFFAOYSA-N 0 0 233.223 2.369 10 5 BEBERN COc1cc(C(F)(F)F)cc([N+](=O)[O-])c1C=O ZINC000575730026 387468205 /nfs/dbraw/zinc/46/82/05/387468205.db2.gz QTFSTKDLDXYHLS-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1c(N)ccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000575729043 387469116 /nfs/dbraw/zinc/46/91/16/387469116.db2.gz IPQBGSHSQCCAAE-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN COc1c(C=O)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575729029 387469977 /nfs/dbraw/zinc/46/99/77/387469977.db2.gz IMDUJCTUXGNZDK-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1cc(C=O)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575730754 387472054 /nfs/dbraw/zinc/47/20/54/387472054.db2.gz RIVGKAHLJDEEBY-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[C@@H]2C)n1 ZINC000309743684 177877138 /nfs/dbraw/zinc/87/71/38/177877138.db2.gz DYIKCNJZBXBKRQ-RCOVLWMOSA-N 0 0 221.260 2.427 10 5 BEBERN CCc1cnc(Br)cc1[N+](=O)[O-] ZINC000306406907 388051157 /nfs/dbraw/zinc/05/11/57/388051157.db2.gz DTXXTSMOFSXVDM-UHFFFAOYSA-N 0 0 231.049 2.315 10 5 BEBERN O=[N+]([O-])c1c(Cl)c(Cl)ccc1CO ZINC000299889786 388344679 /nfs/dbraw/zinc/34/46/79/388344679.db2.gz ORBVYGGJDHDQOP-UHFFFAOYSA-N 0 0 222.027 2.394 10 5 BEBERN COc1ccc([N+](=O)[O-])c(F)c1Cl ZINC000299890406 388344721 /nfs/dbraw/zinc/34/47/21/388344721.db2.gz ZFWBMZPMSVKNBU-UHFFFAOYSA-N 0 0 205.572 2.396 10 5 BEBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H]1C ZINC000171049008 388347710 /nfs/dbraw/zinc/34/77/10/388347710.db2.gz JPUPTUNDKDNAEV-KCJUWKMLSA-N 0 0 234.255 2.041 10 5 BEBERN CC(C)[C@@H](O)CNc1cccc(F)c1[N+](=O)[O-] ZINC000125175532 388777150 /nfs/dbraw/zinc/77/71/50/388777150.db2.gz VAQQRTYEZDRZID-JTQLQIEISA-N 0 0 242.250 2.163 10 5 BEBERN COC(=O)/C=C/c1ccc(Cl)cc1[N+](=O)[O-] ZINC000096327895 388816254 /nfs/dbraw/zinc/81/62/54/388816254.db2.gz KBPOGSQDGOJYTG-HWKANZROSA-N 0 0 241.630 2.434 10 5 BEBERN Cc1cc(N)c([N+](=O)[O-])c(C)c1Cl ZINC000575464818 388833503 /nfs/dbraw/zinc/83/35/03/388833503.db2.gz SEQYOQAECDAVGN-UHFFFAOYSA-N 0 0 200.625 2.447 10 5 BEBERN CCn1ccnc1COc1cccc([N+](=O)[O-])c1 ZINC000195516699 134843693 /nfs/dbraw/zinc/84/36/93/134843693.db2.gz MHHYFGWVWXZNEU-UHFFFAOYSA-N 0 0 247.254 2.390 10 5 BEBERN CC(C)C[NH2+]Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000058100459 167008013 /nfs/dbraw/zinc/00/80/13/167008013.db2.gz CKCZYZWPDLEJRX-UHFFFAOYSA-N 0 0 224.260 2.046 10 5 BEBERN CC(C)Nc1nccc(Cl)c1[N+](=O)[O-] ZINC000039956538 167148772 /nfs/dbraw/zinc/14/87/72/167148772.db2.gz WQOQXANQPKAYAK-UHFFFAOYSA-N 0 0 215.640 2.464 10 5 BEBERN CC(C)[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000051449046 167386088 /nfs/dbraw/zinc/38/60/88/167386088.db2.gz RYAWQTIYFZELGW-MRVPVSSYSA-N 0 0 209.249 2.446 10 5 BEBERN CC1CCC(n2ncc([N+](=O)[O-])c2N)CC1 ZINC000043669419 168168943 /nfs/dbraw/zinc/16/89/43/168168943.db2.gz PLEAQWYQIDUUAV-UHFFFAOYSA-N 0 0 224.264 2.125 10 5 BEBERN CSC[C@@H](C)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000301328910 411437267 /nfs/dbraw/zinc/43/72/67/411437267.db2.gz JYRYGSCJIURSII-MRVPVSSYSA-N 0 0 241.316 2.178 10 5 BEBERN CCNc1cc(Cl)ncc1[N+](=O)[O-] ZINC000090469390 170172965 /nfs/dbraw/zinc/17/29/65/170172965.db2.gz SLDBDKBNMNGEOG-UHFFFAOYSA-N 0 0 201.613 2.075 10 5 BEBERN CCNc1nc(-c2cc([N+](=O)[O-])ccc2C)no1 ZINC000053750193 170175168 /nfs/dbraw/zinc/17/51/68/170175168.db2.gz OJFPLYLLRVCRHI-UHFFFAOYSA-N 0 0 248.242 2.385 10 5 BEBERN CCc1cc2c([N+](=O)[O-])ccc(F)c2nc1N ZINC000063117046 171775977 /nfs/dbraw/zinc/77/59/77/171775977.db2.gz ZBYIORNFGQWCMZ-UHFFFAOYSA-N 0 0 235.218 2.427 10 5 BEBERN COc1cc(NCC(F)F)ccc1[N+](=O)[O-] ZINC000075060036 175001631 /nfs/dbraw/zinc/00/16/31/175001631.db2.gz KSRDKECORJWWMC-UHFFFAOYSA-N 0 0 232.186 2.280 10 5 BEBERN COc1ccc([N+](=O)[O-])cc1C[C@H](C)C(C)=O ZINC000037947237 175201103 /nfs/dbraw/zinc/20/11/03/175201103.db2.gz GLTDOZFDCQQQTP-QMMMGPOBSA-N 0 0 237.255 2.371 10 5 BEBERN COc1ccc2cccc([N+](=O)[O-])c2n1 ZINC000084729073 175225830 /nfs/dbraw/zinc/22/58/30/175225830.db2.gz RLQXMCGBGSCICR-UHFFFAOYSA-N 0 0 204.185 2.152 10 5 BEBERN C[C@@H](c1ccsc1)n1ncc([N+](=O)[O-])c1N ZINC000050345126 176035571 /nfs/dbraw/zinc/03/55/71/176035571.db2.gz RUIMXTNDYVPFHD-LURJTMIESA-N 0 0 238.272 2.044 10 5 BEBERN C[C@@H]1CCCC[C@@H]1n1ncc([N+](=O)[O-])c1N ZINC000043669432 176083163 /nfs/dbraw/zinc/08/31/63/176083163.db2.gz RRHZCDPRGWKHJO-SFYZADRCSA-N 0 0 224.264 2.125 10 5 BEBERN C[C@@H]1CCCC[C@H]1n1ncc([N+](=O)[O-])c1N ZINC000043669434 176090035 /nfs/dbraw/zinc/09/00/35/176090035.db2.gz RRHZCDPRGWKHJO-HTQZYQBOSA-N 0 0 224.264 2.125 10 5 BEBERN C[C@@H]1CCCN1c1ccc(C=O)cc1[N+](=O)[O-] ZINC000037911262 176111927 /nfs/dbraw/zinc/11/19/27/176111927.db2.gz TWINFKYACVDZFY-SECBINFHSA-N 0 0 234.255 2.396 10 5 BEBERN C[C@H]1CCCC[C@@H]1n1ncc([N+](=O)[O-])c1N ZINC000043669433 177084488 /nfs/dbraw/zinc/08/44/88/177084488.db2.gz RRHZCDPRGWKHJO-YUMQZZPRSA-N 0 0 224.264 2.125 10 5 BEBERN C[C@H]1CCCN1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000037911685 177109341 /nfs/dbraw/zinc/10/93/41/177109341.db2.gz IPFMHYMQRWYKOL-JTQLQIEISA-N 0 0 248.282 2.262 10 5 BEBERN C[C@H]1CCc2cc(F)cc([N+](=O)[O-])c2N1 ZINC000034537461 177209542 /nfs/dbraw/zinc/20/95/42/177209542.db2.gz ZKBYYUCLCRPWFR-LURJTMIESA-N 0 0 210.208 2.481 10 5 BEBERN Cc1ccc(C(=O)C(F)F)cc1[N+](=O)[O-] ZINC000536949916 323951986 /nfs/dbraw/zinc/95/19/86/323951986.db2.gz HOHSODRSOQVKRK-UHFFFAOYSA-N 0 0 215.155 2.351 10 5 BEBERN O=[N+]([O-])c1ccc(NCCCc2cc[nH]n2)cc1 ZINC000302792632 487532887 /nfs/dbraw/zinc/53/28/87/487532887.db2.gz ZGGJSGNRILOYAY-UHFFFAOYSA-N 0 0 246.270 2.363 10 5 BEBERN CCc1ccc(OC(=O)C2CC2)c([N+](=O)[O-])c1 ZINC000115926983 588938010 /nfs/dbraw/zinc/93/80/10/588938010.db2.gz DAAYIQXGZFIMPO-UHFFFAOYSA-N 0 0 235.239 2.473 10 5 BEBERN Cc1ccc(OC(=O)[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000131672039 591636783 /nfs/dbraw/zinc/63/67/83/591636783.db2.gz IACUFYUIWLCSBX-WCBMZHEXSA-N 0 0 235.239 2.465 10 5 BEBERN COC1CC(Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000230600876 632829048 /nfs/dbraw/zinc/82/90/48/632829048.db2.gz SMGRYORUBCPVJU-UHFFFAOYSA-N 0 0 240.234 2.323 10 5 BEBERN Cc1cc(N[C@H](C)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000309942249 633965791 /nfs/dbraw/zinc/96/57/91/633965791.db2.gz BZBMOVNCGBEJQG-BDAKNGLRSA-N 0 0 224.260 2.084 10 5 BEBERN Cc1ccc(N[C@H](C)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000336781416 635282186 /nfs/dbraw/zinc/28/21/86/635282186.db2.gz UPXHHECYIPYJTG-RKDXNWHRSA-N 0 0 224.260 2.084 10 5 BEBERN C[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)[C@H](C)O ZINC000343798374 636776324 /nfs/dbraw/zinc/77/63/24/636776324.db2.gz VRPIDXQPYNMYGF-RITPCOANSA-N 0 0 246.213 2.054 10 5 BEBERN CC(=O)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000034543839 637012778 /nfs/dbraw/zinc/01/27/78/637012778.db2.gz OKRLWAXRLJOWQM-SSDOTTSWSA-N 0 0 209.201 2.219 10 5 BEBERN COC1CC(Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000230601462 641071107 /nfs/dbraw/zinc/07/11/07/641071107.db2.gz WQCLIXMKWRHGCJ-UHFFFAOYSA-N 0 0 222.244 2.184 10 5 BEBERN COc1ccc(OC(=O)C(C)C)c([N+](=O)[O-])c1 ZINC000119233868 643056587 /nfs/dbraw/zinc/05/65/87/643056587.db2.gz HCMIEUMIEHFIQO-UHFFFAOYSA-N 0 0 239.227 2.165 10 5 BEBERN CSCCOc1ccc(C=O)cc1[N+](=O)[O-] ZINC000135781972 711600954 /nfs/dbraw/zinc/60/09/54/711600954.db2.gz ZQZFOZFXWPRDMX-UHFFFAOYSA-N 0 0 241.268 2.149 10 5 BEBERN COC(=O)c1cc2cc([N+](=O)[O-])ccc2nc1C ZINC000072417034 398137917 /nfs/dbraw/zinc/13/79/17/398137917.db2.gz WDMSILBTEHKMPF-UHFFFAOYSA-N 0 0 246.222 2.238 10 5 BEBERN C[C@@H](CO)[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000134959985 488169922 /nfs/dbraw/zinc/16/99/22/488169922.db2.gz ASOWVEDDEUNLCA-YUMQZZPRSA-N 0 0 242.250 2.163 10 5 BEBERN Cc1cc(N[C@@H](C)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000134959138 178178598 /nfs/dbraw/zinc/17/85/98/178178598.db2.gz TUSFNQMSFKRIFB-UWVGGRQHSA-N 0 0 238.287 2.332 10 5 BEBERN Cc1cc(N[C@H](C)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000134959156 178186048 /nfs/dbraw/zinc/18/60/48/178186048.db2.gz TUSFNQMSFKRIFB-VHSXEESVSA-N 0 0 238.287 2.332 10 5 BEBERN Cc1cc(N[C@H]2C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000073000386 178191685 /nfs/dbraw/zinc/19/16/85/178191685.db2.gz KYHHHBRYFBKJRP-XPUUQOCRSA-N 0 0 207.233 2.119 10 5 BEBERN O=Cc1cc([N+](=O)[O-])ccc1-n1cccc1 ZINC000146335410 342768108 /nfs/dbraw/zinc/76/81/08/342768108.db2.gz YBUHGTFPGSXOGE-UHFFFAOYSA-N 0 0 216.196 2.198 10 5 BEBERN CSc1nc(Cl)ccc1[N+](=O)[O-] ZINC000038063779 342869062 /nfs/dbraw/zinc/86/90/62/342869062.db2.gz YOSHKSLLUXFBAY-UHFFFAOYSA-N 0 0 204.638 2.365 10 5 BEBERN CCC[C@@H](NO)c1ccccc1[N+](=O)[O-] ZINC000308763177 342870142 /nfs/dbraw/zinc/87/01/42/342870142.db2.gz SWRCUWWCFAQBCN-SECBINFHSA-N 0 0 210.233 2.415 10 5 BEBERN Nc1ccc(-c2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000584880582 343081324 /nfs/dbraw/zinc/08/13/24/343081324.db2.gz IAFUNSKFIKCESH-UHFFFAOYSA-N 0 0 233.202 2.208 10 5 BEBERN CCN(CC)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000164937923 343077965 /nfs/dbraw/zinc/07/79/65/343077965.db2.gz OBYYAXVODMZQCW-UHFFFAOYSA-N 0 0 210.233 2.147 10 5 BEBERN O=[N+]([O-])c1cnccc1NCC1CCC1 ZINC000037180878 343143885 /nfs/dbraw/zinc/14/38/85/343143885.db2.gz WLKOSHWMSZDWPY-UHFFFAOYSA-N 0 0 207.233 2.202 10 5 BEBERN CN(C)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000039644324 343391619 /nfs/dbraw/zinc/39/16/19/343391619.db2.gz HSUNOBHQLAOKKH-AATRIKPKSA-N 0 0 210.208 2.266 10 5 BEBERN O=C1CCCC[C@H](Cc2ccc([N+](=O)[O-])cc2)N1 ZINC000044710229 343512164 /nfs/dbraw/zinc/51/21/64/343512164.db2.gz RPMRYTUFZUKBQL-LLVKDONJSA-N 0 0 248.282 2.196 10 5 BEBERN CCCCOc1cc([N+](=O)[O-])ccc1O ZINC000059849177 343713579 /nfs/dbraw/zinc/71/35/79/343713579.db2.gz OSJADQJAYORFFF-UHFFFAOYSA-N 0 0 211.217 2.479 10 5 BEBERN CC(C)c1cn(-c2ccc([N+](=O)[O-])cn2)cn1 ZINC000145466797 344277142 /nfs/dbraw/zinc/27/71/42/344277142.db2.gz OWJIUUMDEQULBG-UHFFFAOYSA-N 0 0 232.243 2.299 10 5 BEBERN NC(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000071766776 344421399 /nfs/dbraw/zinc/42/13/99/344421399.db2.gz WZLQDHBDKJVBRU-UHFFFAOYSA-N 0 0 235.026 2.001 10 5 BEBERN Nc1ccc(F)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000396122087 344608899 /nfs/dbraw/zinc/60/88/99/344608899.db2.gz WOPCLQBMXZSGSM-UHFFFAOYSA-N 0 0 224.113 2.335 10 5 BEBERN Cc1ccc(O[C@@H](C)[C@H](C)O)c([N+](=O)[O-])c1 ZINC000087139154 178817678 /nfs/dbraw/zinc/81/76/78/178817678.db2.gz NIQYIOLEIPWERJ-IUCAKERBSA-N 0 0 225.244 2.051 10 5 BEBERN O=[N+]([O-])c1cccc(F)c1[C@H]1C=CCO1 ZINC000142833106 345863926 /nfs/dbraw/zinc/86/39/26/345863926.db2.gz APBNUFLHPRIBGV-SECBINFHSA-N 0 0 209.176 2.361 10 5 BEBERN COC(=O)c1cccc(/C=C(/C)[N+](=O)[O-])c1 ZINC000147020581 345995100 /nfs/dbraw/zinc/99/51/00/345995100.db2.gz SIBQGZFJHNZQFH-VURMDHGXSA-N 0 0 221.212 2.111 10 5 BEBERN Nc1cc([N+](=O)[O-])cc(NCc2ccccc2)n1 ZINC000236371548 346231875 /nfs/dbraw/zinc/23/18/75/346231875.db2.gz OBZMOMZIEYMZDR-UHFFFAOYSA-N 0 0 244.254 2.184 10 5 BEBERN CCOC(=O)C[C@@H](C[N+](=O)[O-])c1ccsc1 ZINC000117856464 347204796 /nfs/dbraw/zinc/20/47/96/347204796.db2.gz ZUSSQACKXMCGFT-VIFPVBQESA-N 0 0 243.284 2.062 10 5 BEBERN C[C@H](Nc1ncc([N+](=O)[O-])s1)[C@H]1CCCO1 ZINC000189682168 347308123 /nfs/dbraw/zinc/30/81/23/347308123.db2.gz FTFCGFDEOGPFRQ-NKWVEPMBSA-N 0 0 243.288 2.031 10 5 BEBERN C[C@H](Oc1cc([N+](=O)[O-])ccn1)C(F)(F)F ZINC000616567824 347436265 /nfs/dbraw/zinc/43/62/65/347436265.db2.gz CVXYEHITOWTUGA-YFKPBYRVSA-N 0 0 236.149 2.319 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1NC1CC(CO)C1 ZINC000596570283 348587161 /nfs/dbraw/zinc/58/71/61/348587161.db2.gz XSEJQBIPIXXRAO-UHFFFAOYSA-N 0 0 236.271 2.086 10 5 BEBERN Cc1nc(-c2ccc([N+](=O)[O-])cc2)n(O)c1C ZINC000039321225 179864613 /nfs/dbraw/zinc/86/46/13/179864613.db2.gz SEHUJFCIPITOJM-UHFFFAOYSA-N 0 0 233.227 2.312 10 5 BEBERN C[C@@H]1OCC[C@@H]1Nc1sccc1[N+](=O)[O-] ZINC000309042161 349368946 /nfs/dbraw/zinc/36/89/46/349368946.db2.gz LWSYRFXACCCVDT-BQBZGAKWSA-N 0 0 228.273 2.246 10 5 BEBERN CC1NC2=Nc3ccccc3C(=O)C2=CC1=O ZINC000082293016 180059512 /nfs/dbraw/zinc/05/95/12/180059512.db2.gz NTLCUTRWUUZOLB-UHFFFAOYSA-N 0 0 226.235 2.090 10 5 BEBERN Cc1nc2c(s1)c(N)ccc2[N+](=O)[O-] ZINC000045236934 180068428 /nfs/dbraw/zinc/06/84/28/180068428.db2.gz NEMHWNLRKAYPMB-UHFFFAOYSA-N 0 0 209.230 2.095 10 5 BEBERN CC(=O)c1cc([N+](=O)[O-])c(F)cc1F ZINC000034076521 350170186 /nfs/dbraw/zinc/17/01/86/350170186.db2.gz JFMFYUJRUXKEIC-UHFFFAOYSA-N 0 0 201.128 2.076 10 5 BEBERN O=c1[nH]c2c(cc([N+](=O)[O-])cc2Cl)s1 ZINC000014985102 350474405 /nfs/dbraw/zinc/47/44/05/350474405.db2.gz WPGIYYOTZGPELI-UHFFFAOYSA-N 0 0 230.632 2.151 10 5 BEBERN Cc1nn([C@H]2CCC[C@H](C)C2)c(N)c1[N+](=O)[O-] ZINC000043670303 180393364 /nfs/dbraw/zinc/39/33/64/180393364.db2.gz QZUMPCOYXCQOGM-CBAPKCEASA-N 0 0 238.291 2.433 10 5 BEBERN O=C1c2cccc([N+](=O)[O-])c2CN1C1CCC1 ZINC000725266695 538096367 /nfs/dbraw/zinc/09/63/67/538096367.db2.gz LMWGIEALYNMCNS-UHFFFAOYSA-N 0 0 232.239 2.103 10 5 BEBERN CC(C)(C)N1Cc2ccc([N+](=O)[O-])cc2C1=O ZINC000725266698 538096370 /nfs/dbraw/zinc/09/63/70/538096370.db2.gz LVHGPDCNKSJYMS-UHFFFAOYSA-N 0 0 234.255 2.349 10 5 BEBERN CC(C)(C)N1Cc2cccc([N+](=O)[O-])c2C1=O ZINC000725266693 538096580 /nfs/dbraw/zinc/09/65/80/538096580.db2.gz KOEPSVIHZQDPMY-UHFFFAOYSA-N 0 0 234.255 2.349 10 5 BEBERN O=[N+]([O-])c1c(F)cccc1N[C@H]1CCC[C@H]1O ZINC000302667349 191120745 /nfs/dbraw/zinc/12/07/45/191120745.db2.gz MTZJKXDXSRQIKC-WCBMZHEXSA-N 0 0 240.234 2.059 10 5 BEBERN O=[N+]([O-])c1cc(F)cc(F)c1OCF ZINC000306771040 351013194 /nfs/dbraw/zinc/01/31/94/351013194.db2.gz GBRWZAFCTQNFJF-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN Cc1c(Cl)c([N+](=O)[O-])ccc1CO ZINC000306819923 351089360 /nfs/dbraw/zinc/08/93/60/351089360.db2.gz MALITCHSXRMPKK-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(Cl)c1CO ZINC000306904007 351319710 /nfs/dbraw/zinc/31/97/10/351319710.db2.gz JNQPPOXKXPGRHK-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN Cc1cc(Br)cc(CO)c1[N+](=O)[O-] ZINC000306909754 351322699 /nfs/dbraw/zinc/32/26/99/351322699.db2.gz HLTLJTGYDYZYLM-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN Cc1ccc(Br)c(CO)c1[N+](=O)[O-] ZINC000306910865 351324878 /nfs/dbraw/zinc/32/48/78/351324878.db2.gz JLDGAEPTTGCGBJ-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN Nc1cc(-c2ccc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000034963924 351367547 /nfs/dbraw/zinc/36/75/47/351367547.db2.gz TXHGUMAGYKBOBC-UHFFFAOYSA-N 0 0 238.634 2.221 10 5 BEBERN CC(=O)[C@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000034973017 351370726 /nfs/dbraw/zinc/37/07/26/351370726.db2.gz LXIRZQMZOGSLEX-MNOVXSKESA-N 0 0 205.213 2.287 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(N)c1Br ZINC000306947293 351372859 /nfs/dbraw/zinc/37/28/59/351372859.db2.gz PCDQJRYUAYBKEV-UHFFFAOYSA-N 0 0 231.049 2.248 10 5 BEBERN O=[N+]([O-])c1ccc(Br)n2ccnc12 ZINC000606241652 351405474 /nfs/dbraw/zinc/40/54/74/351405474.db2.gz PUYVTFHMAQRIAW-UHFFFAOYSA-N 0 0 242.032 2.005 10 5 BEBERN N#CNc1ccc(Br)c([N+](=O)[O-])c1 ZINC000168220004 351344000 /nfs/dbraw/zinc/34/40/00/351344000.db2.gz CMQSMXZCCDNXHU-UHFFFAOYSA-N 0 0 242.032 2.250 10 5 BEBERN Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2C=O)n1 ZINC000034957053 351362212 /nfs/dbraw/zinc/36/22/12/351362212.db2.gz ZLOVDKMNHKBZRU-UHFFFAOYSA-N 0 0 245.238 2.210 10 5 BEBERN COc1c(F)cc(F)c(F)c1[N+](=O)[O-] ZINC000307026910 351435612 /nfs/dbraw/zinc/43/56/12/351435612.db2.gz LCUUUMROSPVHQG-UHFFFAOYSA-N 0 0 207.107 2.021 10 5 BEBERN Cc1cc(Br)cc([N+](=O)[O-])c1C=O ZINC000307051160 351453116 /nfs/dbraw/zinc/45/31/16/351453116.db2.gz MOERBJIWBODDFC-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN O=Cc1ccc([N+](=O)[O-])c(F)c1Br ZINC000307171479 351560256 /nfs/dbraw/zinc/56/02/56/351560256.db2.gz OIQLVBBEKMEEPB-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN Cc1ccc(Cl)c(CO)c1[N+](=O)[O-] ZINC000307213786 351614605 /nfs/dbraw/zinc/61/46/05/351614605.db2.gz QXXYECSMHMGCDH-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN O=[N+]([O-])c1ccc(F)c(F)c1OCF ZINC000307292964 351901820 /nfs/dbraw/zinc/90/18/20/351901820.db2.gz LGHBGNYJNGQIJE-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN O=[N+]([O-])c1c[nH]c2c1nccc2Br ZINC000044713003 352384324 /nfs/dbraw/zinc/38/43/24/352384324.db2.gz KOHZOOVPZQCNSU-UHFFFAOYSA-N 0 0 242.032 2.234 10 5 BEBERN CC(C)N(C)c1ccc(C=O)c([N+](=O)[O-])c1 ZINC000725273101 538104509 /nfs/dbraw/zinc/10/45/09/538104509.db2.gz ZAOUXBGBKRZVBD-UHFFFAOYSA-N 0 0 222.244 2.252 10 5 BEBERN COc1c(F)cc(F)c([N+](=O)[O-])c1F ZINC000307463323 352612162 /nfs/dbraw/zinc/61/21/62/352612162.db2.gz GSYWANZODWHECB-UHFFFAOYSA-N 0 0 207.107 2.021 10 5 BEBERN C/C=C/CNc1nc(Cl)ncc1[N+](=O)[O-] ZINC000307392340 352568960 /nfs/dbraw/zinc/56/89/60/352568960.db2.gz YGBVGMVJOOVYQW-NSCUHMNNSA-N 0 0 228.639 2.026 10 5 BEBERN O=[N+]([O-])c1ccc(C2=CCCOC2)cc1 ZINC000725273343 538104808 /nfs/dbraw/zinc/10/48/08/538104808.db2.gz WBGCVQJJXGXLKC-UHFFFAOYSA-N 0 0 205.213 2.399 10 5 BEBERN C[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000052291507 188126085 /nfs/dbraw/zinc/12/60/85/188126085.db2.gz AZXKVKSFLNSHPM-IMTBSYHQSA-N 0 0 237.215 2.323 10 5 BEBERN CCc1ccc(O[C@H](C)[C@H](C)O)c([N+](=O)[O-])c1 ZINC000094654945 188145765 /nfs/dbraw/zinc/14/57/65/188145765.db2.gz CKRRSKVSGNQYHC-DTWKUNHWSA-N 0 0 239.271 2.305 10 5 BEBERN COc1cc(Nc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000104252159 188151214 /nfs/dbraw/zinc/15/12/14/188151214.db2.gz PTUOTDAUDUQIHM-UHFFFAOYSA-N 0 0 248.242 2.081 10 5 BEBERN O=[N+]([O-])c1c(F)cccc1N[C@H]1CCCOC1 ZINC000110445238 188152457 /nfs/dbraw/zinc/15/24/57/188152457.db2.gz VXLYWHLICSIINP-QMMMGPOBSA-N 0 0 240.234 2.325 10 5 BEBERN O=[N+]([O-])c1ccc([N+](=O)[O-])c(OC2CC2)c1 ZINC000095735574 188499907 /nfs/dbraw/zinc/49/99/07/188499907.db2.gz HSVHFCWCWVDKGN-UHFFFAOYSA-N 0 0 224.172 2.044 10 5 BEBERN COc1ccccc1[C@@H](CC(C)=O)C[N+](=O)[O-] ZINC000211849561 355791272 /nfs/dbraw/zinc/79/12/72/355791272.db2.gz SFLNVMDINAWNEU-JTQLQIEISA-N 0 0 237.255 2.035 10 5 BEBERN CC(C)c1ccc([C@@H](O)C[N+](=O)[O-])cc1 ZINC000584613593 358277836 /nfs/dbraw/zinc/27/78/36/358277836.db2.gz RAGTYARETDVTFP-NSHDSACASA-N 0 0 209.245 2.120 10 5 BEBERN COCC(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000584593386 358251398 /nfs/dbraw/zinc/25/13/98/358251398.db2.gz SJRTVAJABFZUBS-UHFFFAOYSA-N 0 0 217.171 2.333 10 5 BEBERN COC(=O)c1ccc([C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000584606507 358265811 /nfs/dbraw/zinc/26/58/11/358265811.db2.gz BECBRQZQDIASIE-SSDOTTSWSA-N 0 0 239.227 2.089 10 5 BEBERN O=[N+]([O-])C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000584610330 358273434 /nfs/dbraw/zinc/27/34/34/358273434.db2.gz QEJHWQHHAIMMPX-QMMMGPOBSA-N 0 0 235.161 2.016 10 5 BEBERN CCCCC[C@H](CC(C)=O)C[N+](=O)[O-] ZINC000584610556 358273811 /nfs/dbraw/zinc/27/38/11/358273811.db2.gz IWZYULBRKPABSJ-SNVBAGLBSA-N 0 0 201.266 2.439 10 5 BEBERN N=C1O[C@H](c2ccc([N+](=O)[O-])cc2)CS1 ZINC000584625185 358293445 /nfs/dbraw/zinc/29/34/45/358293445.db2.gz LIDNEGJALRXVOO-QMMMGPOBSA-N 0 0 224.241 2.334 10 5 BEBERN c1ccc2c(c1)ccc1nc3ncncc3n12 ZINC000584643824 358329373 /nfs/dbraw/zinc/32/93/73/358329373.db2.gz CHKLUOLXFCIWRG-UHFFFAOYSA-N 0 0 220.235 2.431 10 5 BEBERN Nc1cccc([N+](=O)[O-])c1OC(F)(F)F ZINC000238626240 358947762 /nfs/dbraw/zinc/94/77/62/358947762.db2.gz VUODVKVHVOUQRY-UHFFFAOYSA-N 0 0 222.122 2.076 10 5 BEBERN CNc1c(F)c(Cl)ccc1[N+](=O)[O-] ZINC000306199444 359027315 /nfs/dbraw/zinc/02/73/15/359027315.db2.gz SZJLJMFGRRBKPW-UHFFFAOYSA-N 0 0 204.588 2.429 10 5 BEBERN CN(c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000054269419 359773171 /nfs/dbraw/zinc/77/31/71/359773171.db2.gz ZYJADGCVOBMBON-UHFFFAOYSA-N 0 0 210.208 2.333 10 5 BEBERN O=[N+]([O-])c1nccc(Cl)c1Br ZINC000306554908 360427763 /nfs/dbraw/zinc/42/77/63/360427763.db2.gz CJVICJYDNOPESU-UHFFFAOYSA-N 0 0 237.440 2.406 10 5 BEBERN O=Cc1cc(Br)cc([N+](=O)[O-])c1F ZINC000306607287 360550121 /nfs/dbraw/zinc/55/01/21/360550121.db2.gz TXANTBSNEOUYLV-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN O=[N+]([O-])c1ccc2scc(CO)c2c1 ZINC000036438840 361135458 /nfs/dbraw/zinc/13/54/58/361135458.db2.gz QVHQRXZPAWWMPT-UHFFFAOYSA-N 0 0 209.226 2.302 10 5 BEBERN Cc1cnc([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000238529196 361140167 /nfs/dbraw/zinc/14/01/67/361140167.db2.gz UFKXTRZHJJCRKN-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN Cc1nc(OC(F)(F)F)ccc1[N+](=O)[O-] ZINC000238563631 361152822 /nfs/dbraw/zinc/15/28/22/361152822.db2.gz QLGNRCNSEIRBIE-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN O=Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000238572087 361156430 /nfs/dbraw/zinc/15/64/30/361156430.db2.gz BSLICBYFAMBGOU-UHFFFAOYSA-N 0 0 219.118 2.426 10 5 BEBERN O=[N+]([O-])c1cc(F)c(OC(F)(F)F)cn1 ZINC000238609460 361163128 /nfs/dbraw/zinc/16/31/28/361163128.db2.gz WPIKWWQKUNRSCR-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1cnc(F)cc1OC(F)(F)F ZINC000238611483 361165807 /nfs/dbraw/zinc/16/58/07/361165807.db2.gz VMFRRQRMVYJZTP-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1cc(F)cc(OC(F)(F)F)n1 ZINC000238613076 361165884 /nfs/dbraw/zinc/16/58/84/361165884.db2.gz GIIROFANUJGWOD-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1ccc2cnnc(Cl)c2c1 ZINC000306623275 361246349 /nfs/dbraw/zinc/24/63/49/361246349.db2.gz DKRVAOKHJVRWKL-UHFFFAOYSA-N 0 0 209.592 2.191 10 5 BEBERN COC(=O)C(C)(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000144668178 368349460 /nfs/dbraw/zinc/34/94/60/368349460.db2.gz ZABIBWYYYKBUJU-UHFFFAOYSA-N 0 0 237.255 2.337 10 5 BEBERN O=[N+]([O-])c1ccc(N=S2(=O)CCCC2)cc1 ZINC000143536913 368394201 /nfs/dbraw/zinc/39/42/01/368394201.db2.gz FGXQPMMIPBHKOB-UHFFFAOYSA-N 0 0 240.284 2.488 10 5 BEBERN CC[C@@H](O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000107727572 368513309 /nfs/dbraw/zinc/51/33/09/368513309.db2.gz JEOFYJJLTBRWFE-SECBINFHSA-N 0 0 241.243 2.055 10 5 BEBERN C[C@H](O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000113657808 370450234 /nfs/dbraw/zinc/45/02/34/370450234.db2.gz HBMGXDILHFAVSR-YFKPBYRVSA-N 0 0 246.060 2.411 10 5 BEBERN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1C ZINC000162714075 371828382 /nfs/dbraw/zinc/82/83/82/371828382.db2.gz ZZSYRGSEJZAHRW-UHFFFAOYSA-N 0 0 229.619 2.343 10 5 BEBERN O=C(COc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000037974504 182001101 /nfs/dbraw/zinc/00/11/01/182001101.db2.gz RVWWEHVORUDOFW-UHFFFAOYSA-N 0 0 247.206 2.450 10 5 BEBERN CC[C@H](Nc1ncc([N+](=O)[O-])cn1)C(C)C ZINC000042590763 374276033 /nfs/dbraw/zinc/27/60/33/374276033.db2.gz GAXQYVKSMSTEFI-VIFPVBQESA-N 0 0 224.264 2.231 10 5 BEBERN O=Cc1ccnc2c1ccc1c(C=O)ccnc12 ZINC000095558531 182873418 /nfs/dbraw/zinc/87/34/18/182873418.db2.gz HCJOBZLFARGFLG-UHFFFAOYSA-N 0 0 236.230 2.408 10 5 BEBERN O=[N+]([O-])c1ccc(CNc2ncco2)cc1 ZINC000016082898 182931169 /nfs/dbraw/zinc/93/11/69/182931169.db2.gz DXNRUOFBQAXCPK-UHFFFAOYSA-N 0 0 219.200 2.195 10 5 BEBERN O=[N+]([O-])c1ccccc1Nn1cccc1 ZINC000039409964 182952641 /nfs/dbraw/zinc/95/26/41/182952641.db2.gz MFNFKVHVROVEEF-UHFFFAOYSA-N 0 0 203.201 2.272 10 5 BEBERN O=c1ccc2nc3ccc(O)cc3[nH]c-2c1 ZINC000095587857 183286002 /nfs/dbraw/zinc/28/60/02/183286002.db2.gz GDZZZIJWRBVEKB-UHFFFAOYSA-N 0 0 212.208 2.194 10 5 BEBERN CC(C)(C)OC(=O)N1CCC[C@H]1CC[N+](=O)[O-] ZINC000091352968 166648843 /nfs/dbraw/zinc/64/88/43/166648843.db2.gz HPBSCRHLXDZWMX-VIFPVBQESA-N 0 0 244.291 2.053 10 5 BEBERN O=Cc1c(F)c([N+](=O)[O-])ccc1OC(F)F ZINC000575661349 384413988 /nfs/dbraw/zinc/41/39/88/384413988.db2.gz MGQIZBACQCXBLJ-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN CCOC(=O)c1c(C)cc([N+](=O)[O-])cc1OC ZINC000575675907 384481604 /nfs/dbraw/zinc/48/16/04/384481604.db2.gz ZNBDVVSZXUZDBV-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN CN1c2ccc([N+](=O)[O-])cc2C(C)(C)CC1=O ZINC000098181503 384719126 /nfs/dbraw/zinc/71/91/26/384719126.db2.gz UOVNZZNSWCUTTL-UHFFFAOYSA-N 0 0 234.255 2.239 10 5 BEBERN CC(=O)Nc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004622726 384857558 /nfs/dbraw/zinc/85/75/58/384857558.db2.gz UTPLZMZXGBGQGZ-UHFFFAOYSA-N 0 0 249.270 2.153 10 5 BEBERN CCCCOC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000106146834 384902560 /nfs/dbraw/zinc/90/25/60/384902560.db2.gz HOKYCVISTXKHLD-UHFFFAOYSA-N 0 0 237.255 2.481 10 5 BEBERN Cc1cc(N[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000109548535 385174864 /nfs/dbraw/zinc/17/48/64/385174864.db2.gz SDZCZDJYTLAQBW-LLVKDONJSA-N 0 0 236.271 2.494 10 5 BEBERN Cc1cnc(N[C@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000085426891 385176655 /nfs/dbraw/zinc/17/66/55/385176655.db2.gz SMUJKQYCGPVFTO-YUMQZZPRSA-N 0 0 207.233 2.119 10 5 BEBERN O=[N+]([O-])c1nn(C(F)F)c2ccccc21 ZINC000098209787 385208730 /nfs/dbraw/zinc/20/87/30/385208730.db2.gz NZUPIISPQRTEQZ-UHFFFAOYSA-N 0 0 213.143 2.340 10 5 BEBERN CCOC(=O)Cc1cc(Cl)cc([N+](=O)[O-])c1 ZINC000259964549 385626857 /nfs/dbraw/zinc/62/68/57/385626857.db2.gz CWQLUTMKCQZLFD-UHFFFAOYSA-N 0 0 243.646 2.354 10 5 BEBERN C[C@@H]([NH2+]C1CC1)c1ccccc1[N+](=O)[O-] ZINC000034963846 385628951 /nfs/dbraw/zinc/62/89/51/385628951.db2.gz IDYVJAXTCVMBIY-MRVPVSSYSA-N 0 0 206.245 2.408 10 5 BEBERN O=[N+]([O-])c1cc(F)cc(OCF)c1F ZINC000307178004 386085110 /nfs/dbraw/zinc/08/51/10/386085110.db2.gz JDVQSFZVWXZYJK-UHFFFAOYSA-N 0 0 207.107 2.179 10 5 BEBERN CCC1=Cc2cccc([N+](=O)[O-])c2O[C@H]1O ZINC000211674432 386198420 /nfs/dbraw/zinc/19/84/20/386198420.db2.gz XEBCHDVWFPOECY-LLVKDONJSA-N 0 0 221.212 2.099 10 5 BEBERN CCOC(=O)Cc1cc(F)c(C)cc1[N+](=O)[O-] ZINC000575397271 386998134 /nfs/dbraw/zinc/99/81/34/386998134.db2.gz JOXFWCQIZYRAGM-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOC(=O)Cc1c(C)ccc([N+](=O)[O-])c1F ZINC000575397284 386998260 /nfs/dbraw/zinc/99/82/60/386998260.db2.gz URZJQYVEWZPUNK-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOc1cc(OC(F)F)cc([N+](=O)[O-])c1O ZINC000575656020 387038163 /nfs/dbraw/zinc/03/81/63/387038163.db2.gz BOZFROYPDZDITI-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN CCOc1cc(O)cc([N+](=O)[O-])c1OC(F)F ZINC000575656930 387043543 /nfs/dbraw/zinc/04/35/43/387043543.db2.gz HQQGKFYZXZVCGK-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN CCOc1cc(O)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575659355 387045563 /nfs/dbraw/zinc/04/55/63/387045563.db2.gz UKYZXWCQRKCEFT-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN CCc1ccc(O)c(OC(F)F)c1[N+](=O)[O-] ZINC000575658047 387046393 /nfs/dbraw/zinc/04/63/93/387046393.db2.gz FLCJCDPUSPLROM-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN CCc1c([N+](=O)[O-])ccc(O)c1OC(F)F ZINC000575659389 387046460 /nfs/dbraw/zinc/04/64/60/387046460.db2.gz LJYRYVPSLGEZHP-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN CCc1c(O)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575658396 387048185 /nfs/dbraw/zinc/04/81/85/387048185.db2.gz AZNFKXSGPZKEFD-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN O=[N+]([O-])c1ccc2ccn(C3COC3)c2c1 ZINC000575434087 387058495 /nfs/dbraw/zinc/05/84/95/387058495.db2.gz FJGSBJWIJWZGFD-UHFFFAOYSA-N 0 0 218.212 2.121 10 5 BEBERN C[C@@H]1C[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129781613 387105215 /nfs/dbraw/zinc/10/52/15/387105215.db2.gz MDZRUQIHOZDHNZ-IYSWYEEDSA-N 0 0 227.651 2.464 10 5 BEBERN COc1ccc([N+](=O)[O-])c(F)c1OC(F)F ZINC000575661723 387111714 /nfs/dbraw/zinc/11/17/14/387111714.db2.gz VSHAKVZXMUFGAA-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN O=[N+]([O-])c1cc([O-])c(OC(F)F)c(F)c1 ZINC000575662015 387159709 /nfs/dbraw/zinc/15/97/09/387159709.db2.gz ZNHMDVJMGMJDAG-UHFFFAOYSA-N 0 0 223.106 2.041 10 5 BEBERN CNc1sc(Br)cc1[N+](=O)[O-] ZINC000306510453 387227180 /nfs/dbraw/zinc/22/71/80/387227180.db2.gz LCNBFOBLKJALPT-UHFFFAOYSA-N 0 0 237.078 2.461 10 5 BEBERN CCOc1cc(C(F)F)c(CO)c([N+](=O)[O-])c1 ZINC000575665104 387313071 /nfs/dbraw/zinc/31/30/71/387313071.db2.gz CAKNTRHGPQSRAD-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN Cc1cc(O)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575665091 387313920 /nfs/dbraw/zinc/31/39/20/387313920.db2.gz BDJQMNBSPYNVCF-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN Cc1cc(OC(F)F)c(C=O)c([N+](=O)[O-])c1 ZINC000575666447 387316853 /nfs/dbraw/zinc/31/68/53/387316853.db2.gz IWUATOSQYWRDST-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN Cc1c(C=O)ccc([N+](=O)[O-])c1OC(F)F ZINC000575667331 387317904 /nfs/dbraw/zinc/31/79/04/387317904.db2.gz MLBVKRHKVSMDIP-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN Cc1cc(C(F)(F)F)cc(C(N)=O)c1[N+](=O)[O-] ZINC000575676075 387357408 /nfs/dbraw/zinc/35/74/08/387357408.db2.gz ZREQFMSHUFBOPN-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN Cc1ccc2nnc([N+](=O)[O-])c(Cl)c2c1 ZINC000575601244 387362388 /nfs/dbraw/zinc/36/23/88/387362388.db2.gz RXBFKZXBFUUVMS-UHFFFAOYSA-N 0 0 223.619 2.500 10 5 BEBERN O=[N+]([O-])[C@@H]1C[C@@H]1[C@@H]1C[C@H]1c1ccccc1 ZINC000575602884 387367004 /nfs/dbraw/zinc/36/70/04/387367004.db2.gz YWNJLWLIMVBXOS-IRCOFANPSA-N 0 0 203.241 2.455 10 5 BEBERN O=[N+]([O-])/C=C/[C@H]1C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000575602560 387371021 /nfs/dbraw/zinc/37/10/21/387371021.db2.gz TUUXLMQPJVHVLN-DNGSPIRNSA-N 0 0 234.211 2.489 10 5 BEBERN CCOc1cc(C(F)F)cc(CO)c1[N+](=O)[O-] ZINC000575667622 387323771 /nfs/dbraw/zinc/32/37/71/387323771.db2.gz SJTVANZHVGTXCM-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN Cc1cc(O)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575669027 387325184 /nfs/dbraw/zinc/32/51/84/387325184.db2.gz XLNCEFVZGCRCII-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN Cc1c(C=O)cc([N+](=O)[O-])cc1OC(F)F ZINC000575668216 387325535 /nfs/dbraw/zinc/32/55/35/387325535.db2.gz SFYXZZNITIJEDL-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN O=[N+]([O-])c1cc(CO)c(F)cc1C(F)F ZINC000575669705 387330900 /nfs/dbraw/zinc/33/09/00/387330900.db2.gz KKUXUDHMBHRMJS-UHFFFAOYSA-N 0 0 221.134 2.164 10 5 BEBERN COc1cc([N+](=O)[O-])c(C(F)F)cc1CO ZINC000575670759 387335513 /nfs/dbraw/zinc/33/55/13/387335513.db2.gz BEZKFNVTQIPNGV-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN Cc1cc(C(N)=O)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575673407 387337993 /nfs/dbraw/zinc/33/79/93/387337993.db2.gz JAIXYTJXFCRFPN-UHFFFAOYSA-N 0 0 248.160 2.021 10 5 BEBERN COc1cc([N+](=O)[O-])c(CO)cc1C(F)F ZINC000575671933 387340656 /nfs/dbraw/zinc/34/06/56/387340656.db2.gz OUYFZTQBIBBUQN-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN COc1cc(C)c(C(C)=O)c([N+](=O)[O-])c1 ZINC000575673978 387342645 /nfs/dbraw/zinc/34/26/45/387342645.db2.gz QGKAJXNSGDODFG-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN CCOC(=O)c1c(C)c([N+](=O)[O-])ccc1OC ZINC000575674449 387344042 /nfs/dbraw/zinc/34/40/42/387344042.db2.gz QMIYOURSYUGLDQ-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN CC(=O)c1cc(N)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575719321 387427667 /nfs/dbraw/zinc/42/76/67/387427667.db2.gz ASDJORCZDRUEND-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN CC(=O)c1c(N)cc([N+](=O)[O-])cc1Cl ZINC000575716038 387430242 /nfs/dbraw/zinc/43/02/42/387430242.db2.gz GPRYJFPTVBEPHA-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1ccc([N+](=O)[O-])c(N)c1Cl ZINC000575716034 387430464 /nfs/dbraw/zinc/43/04/64/387430464.db2.gz GLNNUZKQCZPTQQ-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN Cc1ccc(N)c([N+](=O)[O-])c1OC(F)F ZINC000575721375 387442652 /nfs/dbraw/zinc/44/26/52/387442652.db2.gz MXFXEJSCVDZNLP-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Cc1cc(OC(F)F)cc([N+](=O)[O-])c1N ZINC000575720855 387442940 /nfs/dbraw/zinc/44/29/40/387442940.db2.gz FMFOPPAOUHDPSF-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Nc1c(OC(F)F)cc(Cl)cc1[N+](=O)[O-] ZINC000575722088 387445363 /nfs/dbraw/zinc/44/53/63/387445363.db2.gz FKIYZDZGIQJABY-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Nc1cc(OC(F)F)cc(Cl)c1[N+](=O)[O-] ZINC000575722904 387445975 /nfs/dbraw/zinc/44/59/75/387445975.db2.gz WHBABHUKJTXGCU-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN CCOc1cc(C)c(OC)cc1[N+](=O)[O-] ZINC000575698782 387391707 /nfs/dbraw/zinc/39/17/07/387391707.db2.gz JVRODZCLRHPJQR-UHFFFAOYSA-N 0 0 211.217 2.311 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(F)c1OC ZINC000575696727 387397036 /nfs/dbraw/zinc/39/70/36/387397036.db2.gz MQPDDOYMVPQUPW-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN COc1c([N+](=O)[O-])ccc(C=O)c1C(F)(F)F ZINC000575730158 387468877 /nfs/dbraw/zinc/46/88/77/387468877.db2.gz VDMVQQBWLOPNQY-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1ccc(C(F)(F)F)c([N+](=O)[O-])c1N ZINC000575729177 387470350 /nfs/dbraw/zinc/47/03/50/387470350.db2.gz JSUMVAZXXMISPR-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN Cc1ccc(OCC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000131625037 388348605 /nfs/dbraw/zinc/34/86/05/388348605.db2.gz PWWOJNCFZRARSC-UHFFFAOYSA-N 0 0 235.239 2.261 10 5 BEBERN O=[N+]([O-])c1ccc([C@@H](O)c2ccccn2)cc1 ZINC000038589316 388405034 /nfs/dbraw/zinc/40/50/34/388405034.db2.gz NHOHLTGJASEZQM-GFCCVEGCSA-N 0 0 230.223 2.072 10 5 BEBERN COc1cc(N)c([N+](=O)[O-])cc1C(F)(F)F ZINC000091252366 388607388 /nfs/dbraw/zinc/60/73/88/388607388.db2.gz HJFCWKRMUCQYHF-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN CNc1ccc2nc(C)c(C)nc2c1[N+](=O)[O-] ZINC000065748953 388678371 /nfs/dbraw/zinc/67/83/71/388678371.db2.gz VXOPUQFYKSHUOL-UHFFFAOYSA-N 0 0 232.243 2.197 10 5 in-vitro BEBERN Cc1ccc(NC[C@@H]2[C@H]3COC[C@H]32)c([N+](=O)[O-])c1 ZINC000376187901 388722306 /nfs/dbraw/zinc/72/23/06/388722306.db2.gz NBFWPALHMJCIDD-RTCCRHLQSA-N 0 0 248.282 2.208 10 5 BEBERN COc1cccc(N[C@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000129695342 134612811 /nfs/dbraw/zinc/61/28/11/134612811.db2.gz SHMUHLLBTQGKJF-CBAPKCEASA-N 0 0 222.244 2.424 10 5 BEBERN Cc1cc([C@@H](C)Oc2ncccc2[N+](=O)[O-])on1 ZINC000584646687 398086472 /nfs/dbraw/zinc/08/64/72/398086472.db2.gz WAMMYQFPNFSTBC-MRVPVSSYSA-N 0 0 249.226 2.426 10 5 BEBERN CC(C)CNc1ccc([N+](=O)[O-])cc1N ZINC000052840146 167016203 /nfs/dbraw/zinc/01/62/03/167016203.db2.gz SSAXVLDKNQESEY-UHFFFAOYSA-N 0 0 209.249 2.245 10 5 BEBERN CC(=O)c1cc(C(F)(F)F)cc([N+](=O)[O-])n1 ZINC000095766262 166443285 /nfs/dbraw/zinc/44/32/85/166443285.db2.gz HJVZCHDUHJWUHO-UHFFFAOYSA-N 0 0 234.133 2.211 10 5 BEBERN CC(C)Oc1cnc(Cl)c([N+](=O)[O-])c1 ZINC000299890073 167313037 /nfs/dbraw/zinc/31/30/37/167313037.db2.gz TWCWKLSNYIAQBJ-UHFFFAOYSA-N 0 0 216.624 2.430 10 5 BEBERN CC1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000040454483 168165299 /nfs/dbraw/zinc/16/52/99/168165299.db2.gz SXDLRUANAHRUJJ-UHFFFAOYSA-N 0 0 236.275 2.375 10 5 BEBERN CCNc1cc([N+](=O)[O-])c(F)cc1F ZINC000037076880 170172795 /nfs/dbraw/zinc/17/27/95/170172795.db2.gz HIALDORWWAJZEY-UHFFFAOYSA-N 0 0 202.160 2.305 10 5 BEBERN CCNc1ccc(OCC)cc1[N+](=O)[O-] ZINC000041640485 170174358 /nfs/dbraw/zinc/17/43/58/170174358.db2.gz FGBIWCAISJIMTG-UHFFFAOYSA-N 0 0 210.233 2.425 10 5 BEBERN CCOC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000033506795 170270351 /nfs/dbraw/zinc/27/03/51/170270351.db2.gz GMOOHUQPPFJAQB-MRVPVSSYSA-N 0 0 223.228 2.261 10 5 BEBERN CCOc1ccc([N+](=O)[O-])c(Cl)n1 ZINC000059496869 170565786 /nfs/dbraw/zinc/56/57/86/170565786.db2.gz AZYLPCRMOKUFJH-UHFFFAOYSA-N 0 0 202.597 2.042 10 5 BEBERN CNc1ccc2cccnc2c1[N+](=O)[O-] ZINC000022064636 173481320 /nfs/dbraw/zinc/48/13/20/173481320.db2.gz FSSNEPRUKZPCEP-UHFFFAOYSA-N 0 0 203.201 2.185 10 5 in-vitro BEBERN COCc1ccc([N+](=O)[O-])cc1Cl ZINC000238854941 174627279 /nfs/dbraw/zinc/62/72/79/174627279.db2.gz PTHAEZDCXJCUSX-UHFFFAOYSA-N 0 0 201.609 2.395 10 5 BEBERN CO[C@H](C)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000224317548 174836908 /nfs/dbraw/zinc/83/69/08/174836908.db2.gz QNYOTOBUVOSYER-SSDOTTSWSA-N 0 0 228.223 2.181 10 5 BEBERN COc1cc(N[C@@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000082523549 175004291 /nfs/dbraw/zinc/00/42/91/175004291.db2.gz NHIJZQKDIICWHQ-IONNQARKSA-N 0 0 222.244 2.424 10 5 BEBERN COc1ccc(C[C@@H](C)C(C)=O)cc1[N+](=O)[O-] ZINC000037947289 175114982 /nfs/dbraw/zinc/11/49/82/175114982.db2.gz DPXXWQYFIANQHK-MRVPVSSYSA-N 0 0 237.255 2.371 10 5 BEBERN COc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]2C)c1 ZINC000085485907 175200889 /nfs/dbraw/zinc/20/08/89/175200889.db2.gz HIURZBLNBGPGPR-IONNQARKSA-N 0 0 222.244 2.424 10 5 BEBERN CSc1cncc(OC2CC2)c1[N+](=O)[O-] ZINC000095733363 175585718 /nfs/dbraw/zinc/58/57/18/175585718.db2.gz DBVDYHOKNOZBSS-UHFFFAOYSA-N 0 0 226.257 2.253 10 5 BEBERN C[C@H](c1ccsc1)n1ncc([N+](=O)[O-])c1N ZINC000050345129 177051055 /nfs/dbraw/zinc/05/10/55/177051055.db2.gz RUIMXTNDYVPFHD-ZCFIWIBFSA-N 0 0 238.272 2.044 10 5 BEBERN C[C@H]1CCC[C@H](n2ncc([N+](=O)[O-])c2N)C1 ZINC000043669441 177139311 /nfs/dbraw/zinc/13/93/11/177139311.db2.gz XWURHPRNZDRAMZ-YUMQZZPRSA-N 0 0 224.264 2.125 10 5 BEBERN C[C@H]1C[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000122197798 177382697 /nfs/dbraw/zinc/38/26/97/177382697.db2.gz WEKPWAPKEPVTTG-YUMQZZPRSA-N 0 0 207.233 2.058 10 5 BEBERN NNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000498044717 226330264 /nfs/dbraw/zinc/33/02/64/226330264.db2.gz SCCYTTMQISVZNF-UHFFFAOYSA-N 0 0 222.031 2.187 10 5 BEBERN CCn1cc(C=O)c2ccc([N+](=O)[O-])cc21 ZINC000536954635 323963545 /nfs/dbraw/zinc/96/35/45/323963545.db2.gz RRKKAOORAOSJRJ-UHFFFAOYSA-N 0 0 218.212 2.382 10 5 BEBERN CC1(C)[C@@H](c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000088179005 520639215 /nfs/dbraw/zinc/63/92/15/520639215.db2.gz ODRIPCLHMNNNND-MNOVXSKESA-N 0 0 221.256 2.469 10 5 BEBERN Cc1ccc([C@@H](O)c2ccccn2)cc1[N+](=O)[O-] ZINC000238853160 525782660 /nfs/dbraw/zinc/78/26/60/525782660.db2.gz ILXSRURNFJJCEA-CYBMUJFWSA-N 0 0 244.250 2.380 10 5 BEBERN Cn1cc2c(n1)c([N+](=O)[O-])ccc2Cl ZINC000221262126 527332472 /nfs/dbraw/zinc/33/24/72/527332472.db2.gz MNDMLGUGGYZBTC-UHFFFAOYSA-N 0 0 211.608 2.135 10 5 BEBERN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)C(C)(C)C ZINC000134145194 566398910 /nfs/dbraw/zinc/39/89/10/566398910.db2.gz ZIIXUWJGVJDEQA-SSDOTTSWSA-N 0 0 224.264 2.231 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCC(F)F ZINC000103652664 586269073 /nfs/dbraw/zinc/26/90/73/586269073.db2.gz PYGSCFSXYLUMEF-UHFFFAOYSA-N 0 0 245.181 2.325 10 5 BEBERN Cc1ccc(OC(=O)C(C)C)c([N+](=O)[O-])c1 ZINC000060733942 640883329 /nfs/dbraw/zinc/88/33/29/640883329.db2.gz OZIOVQGZMZYKRD-UHFFFAOYSA-N 0 0 223.228 2.465 10 5 BEBERN Cc1ccc(OC(=O)[C@@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000060738116 640883497 /nfs/dbraw/zinc/88/34/97/640883497.db2.gz ZEESVHLNFNOMLO-DTWKUNHWSA-N 0 0 235.239 2.465 10 5 BEBERN Cc1cc(N[C@H](C)[C@@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000359952692 711959076 /nfs/dbraw/zinc/95/90/76/711959076.db2.gz PCSLDLSGWFBREO-HTQZYQBOSA-N 0 0 242.250 2.224 10 5 BEBERN CC(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000111691132 712688213 /nfs/dbraw/zinc/68/82/13/712688213.db2.gz YXSGUMSKAOMFTP-LLVKDONJSA-N 0 0 248.282 2.400 10 5 BEBERN C[C@H]1O[C@H]2CCCC[C@@]23CCC[N@+]1([O-])C3 ZINC000255229882 717171723 /nfs/dbraw/zinc/17/17/23/717171723.db2.gz LWVOWKXWHFNTLO-VOAKCMCISA-N 0 0 211.305 2.400 10 5 BEBERN Cc1cc(N[C@@H](C)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000134959174 178178148 /nfs/dbraw/zinc/17/81/48/178178148.db2.gz TUSFNQMSFKRIFB-ZJUUUORDSA-N 0 0 238.287 2.332 10 5 BEBERN Cc1cc(OCCCCCO)ccc1[N+](=O)[O-] ZINC000051020382 178209589 /nfs/dbraw/zinc/20/95/89/178209589.db2.gz VXEUBFYFFKJMSE-UHFFFAOYSA-N 0 0 239.271 2.445 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[C@@H]1C ZINC000162832125 178272717 /nfs/dbraw/zinc/27/27/17/178272717.db2.gz LQXZBDWPJMXYOI-KWQFWETISA-N 0 0 249.270 2.433 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1Nc1cnn(C)c1 ZINC000035781648 178272760 /nfs/dbraw/zinc/27/27/60/178272760.db2.gz QRIZGCDXQZJYQG-UHFFFAOYSA-N 0 0 232.243 2.380 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1O[C@H](C)[C@H](C)O ZINC000159443248 178273296 /nfs/dbraw/zinc/27/32/96/178273296.db2.gz XIDSMRSIJWTLBN-DTWKUNHWSA-N 0 0 225.244 2.051 10 5 BEBERN CC[C@H](NO)c1cc(F)ccc1[N+](=O)[O-] ZINC000308916938 342876146 /nfs/dbraw/zinc/87/61/46/342876146.db2.gz YDFZMEYEAUODQO-QMMMGPOBSA-N 0 0 214.196 2.164 10 5 BEBERN CCCOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002563271 398319892 /nfs/dbraw/zinc/31/98/92/398319892.db2.gz IKIPEUVCMKGZCA-UHFFFAOYSA-N 0 0 226.188 2.292 10 5 BEBERN O=[N+]([O-])c1ccc(-c2cccnc2)nc1 ZINC000047216221 342902348 /nfs/dbraw/zinc/90/23/48/342902348.db2.gz LSCYWMHUGVZIBJ-UHFFFAOYSA-N 0 0 201.185 2.052 10 5 BEBERN C[C@@H]1CC(c2ccncc2[N+](=O)[O-])=C[C@@H](O)C1 ZINC000116907083 342939084 /nfs/dbraw/zinc/93/90/84/342939084.db2.gz ZNLXEBMYIFPFSB-SCZZXKLOSA-N 0 0 234.255 2.164 10 5 BEBERN COc1cc(-c2ccc([N+](=O)[O-])nc2)sn1 ZINC000584881908 343079902 /nfs/dbraw/zinc/07/99/02/343079902.db2.gz SUQPQNDVPVRTDI-UHFFFAOYSA-N 0 0 237.240 2.122 10 5 BEBERN O=[N+]([O-])c1cccc([C@@H](NO)C(F)(F)F)c1 ZINC000309329946 343271048 /nfs/dbraw/zinc/27/10/48/343271048.db2.gz SJFRIRVUWSLKAE-SSDOTTSWSA-N 0 0 236.149 2.177 10 5 BEBERN O=[N+]([O-])c1cc([C@H]2CCCC[NH2+]2)ccc1[O-] ZINC000309368766 343333133 /nfs/dbraw/zinc/33/31/33/343333133.db2.gz CIVIVRUQKIYSGC-SECBINFHSA-N 0 0 222.244 2.115 10 5 BEBERN O=[N+]([O-])c1cnc(CF)c(OC(F)(F)F)c1 ZINC000309442806 343455165 /nfs/dbraw/zinc/45/51/65/343455165.db2.gz MDGSZTARESZZCJ-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(C(F)(F)F)n1 ZINC000221969390 349872028 /nfs/dbraw/zinc/87/20/28/349872028.db2.gz GTSPKZJMGPPHEV-UHFFFAOYSA-N 0 0 206.123 2.317 10 5 BEBERN O=[N+]([O-])c1ccc([C@@H]2CN3CCSC3=N2)cc1 ZINC000097975549 344039141 /nfs/dbraw/zinc/03/91/41/344039141.db2.gz LPIVDKLFFJWWBT-JTQLQIEISA-N 0 0 249.295 2.054 10 5 BEBERN C[C@@H](CO)[C@@H](C)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000159254824 349879993 /nfs/dbraw/zinc/87/99/93/349879993.db2.gz AGQBXCNKFAJUIQ-JGVFFNPUSA-N 0 0 242.250 2.163 10 5 BEBERN C[C@H](CO)[C@H](C)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000159255165 349880053 /nfs/dbraw/zinc/88/00/53/349880053.db2.gz AGQBXCNKFAJUIQ-SFYZADRCSA-N 0 0 242.250 2.163 10 5 BEBERN O=[N+]([O-])c1cc(F)cc(F)c1OC(F)F ZINC000396125464 344609706 /nfs/dbraw/zinc/60/97/06/344609706.db2.gz IOIHETPMKDWEMA-UHFFFAOYSA-N 0 0 225.097 2.474 10 5 BEBERN COc1cc([N+](=O)[O-])c(F)c(F)c1F ZINC000225843272 344715360 /nfs/dbraw/zinc/71/53/60/344715360.db2.gz NPGRZEVTNGAPBZ-UHFFFAOYSA-N 0 0 207.107 2.021 10 5 BEBERN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H]2O)c(F)c1 ZINC000077994294 344829219 /nfs/dbraw/zinc/82/92/19/344829219.db2.gz XNDKRUSGKDFRRI-WDEREUQCSA-N 0 0 240.234 2.059 10 5 BEBERN CN(C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000148232494 345368147 /nfs/dbraw/zinc/36/81/47/345368147.db2.gz DYGWSJMGVIPPGW-UHFFFAOYSA-N 0 0 215.640 2.137 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]2C)n1 ZINC000088036155 178930517 /nfs/dbraw/zinc/93/05/17/178930517.db2.gz YXRDQDWQYNYFNO-POYBYMJQSA-N 0 0 207.233 2.119 10 5 BEBERN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H]1C ZINC000171048991 178931984 /nfs/dbraw/zinc/93/19/84/178931984.db2.gz JPUPTUNDKDNAEV-GZMMTYOYSA-N 0 0 234.255 2.041 10 5 BEBERN CN(C)c1c(F)c(F)c([N+](=O)[O-])c(F)c1F ZINC000005319169 229549710 /nfs/dbraw/zinc/54/97/10/229549710.db2.gz UAWWGCDVSXPUBG-UHFFFAOYSA-N 0 0 238.140 2.217 10 5 BEBERN Cc1cc(N)c(Br)cc1[N+](=O)[O-] ZINC000229620546 346442103 /nfs/dbraw/zinc/44/21/03/346442103.db2.gz RQFZDAHMESLCLH-UHFFFAOYSA-N 0 0 231.049 2.248 10 5 BEBERN O=[N+]([O-])c1ccc2nc3ccccn3c2c1 ZINC000039285030 347188493 /nfs/dbraw/zinc/18/84/93/347188493.db2.gz VDNUXDQNMMEPIU-UHFFFAOYSA-N 0 0 213.196 2.396 10 5 BEBERN Cc1cccc2[nH]c3cc(=O)cc(O)c-3c(O)c12 ZINC000005741486 179207533 /nfs/dbraw/zinc/20/75/33/179207533.db2.gz JCBDAFIHZKTUHH-UHFFFAOYSA-N 0 0 241.246 2.401 10 5 BEBERN Cc1cccc2c(O)c3c(O)cc(=O)cc-3[nH]c12 ZINC000005741488 179208115 /nfs/dbraw/zinc/20/81/15/179208115.db2.gz NBPXZTCJIOEPOU-UHFFFAOYSA-N 0 0 241.246 2.401 10 5 BEBERN C=C/C=C/S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000221915768 348199954 /nfs/dbraw/zinc/19/99/54/348199954.db2.gz SEIXTAVSZRURLC-XVNBXDOJSA-N 0 0 239.252 2.068 10 5 BEBERN Cc1ccnn1-c1ccc([N+](=O)[O-])cc1 ZINC000048218346 179501028 /nfs/dbraw/zinc/50/10/28/179501028.db2.gz BKPVGIAXVCFLSN-UHFFFAOYSA-N 0 0 203.201 2.089 10 5 BEBERN C/C=C/C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000060380038 349295080 /nfs/dbraw/zinc/29/50/80/349295080.db2.gz BGOHUROREFTXLH-NSCUHMNNSA-N 0 0 221.212 2.214 10 5 BEBERN Cc1ncn(-c2ccc([N+](=O)[O-])cc2C=O)c1C ZINC000051927221 180285173 /nfs/dbraw/zinc/28/51/73/180285173.db2.gz DCNYOBRNJJLJMC-UHFFFAOYSA-N 0 0 245.238 2.210 10 5 BEBERN O=[N+]([O-])c1cnccc1NCCc1ccco1 ZINC000038059616 350594785 /nfs/dbraw/zinc/59/47/85/350594785.db2.gz OZHCDLFEGHFXSG-UHFFFAOYSA-N 0 0 233.227 2.237 10 5 BEBERN [NH3+]Cc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000306670813 350816811 /nfs/dbraw/zinc/81/68/11/350816811.db2.gz DXFUAGPRJUUVEL-UHFFFAOYSA-N 0 0 221.043 2.360 10 5 BEBERN O=Cc1cc(Br)cc(F)c1[N+](=O)[O-] ZINC000307070946 351465395 /nfs/dbraw/zinc/46/53/95/351465395.db2.gz FUNKFPASRBMVHD-UHFFFAOYSA-N 0 0 248.007 2.309 10 5 BEBERN Cc1ccc(Cl)c([N+](=O)[O-])c1CO ZINC000307039971 351437420 /nfs/dbraw/zinc/43/74/20/351437420.db2.gz HRPYDVRVOOOJBC-UHFFFAOYSA-N 0 0 201.609 2.049 10 5 BEBERN O=[N+]([O-])c1ncc(Br)cc1Cl ZINC000307045039 351445924 /nfs/dbraw/zinc/44/59/24/351445924.db2.gz YUIHWGKVSBJYCR-UHFFFAOYSA-N 0 0 237.440 2.406 10 5 BEBERN Cc1cc(CO)c(Br)c([N+](=O)[O-])c1 ZINC000307073210 351466965 /nfs/dbraw/zinc/46/69/65/351466965.db2.gz JKBHSQQGGOMEOG-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN CC(=O)c1c(F)ccc(F)c1[N+](=O)[O-] ZINC000307074733 351464967 /nfs/dbraw/zinc/46/49/67/351464967.db2.gz BEAPIFVDGKLVJY-UHFFFAOYSA-N 0 0 201.128 2.076 10 5 BEBERN Cc1c(CO)ccc(Br)c1[N+](=O)[O-] ZINC000307091763 351473409 /nfs/dbraw/zinc/47/34/09/351473409.db2.gz YECMUPRGEMFOJP-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN Cn1c([N+](=O)[O-])cnc1-c1ccc(F)cc1 ZINC000005116592 180625315 /nfs/dbraw/zinc/62/53/15/180625315.db2.gz AMRJVBTUDQHYID-UHFFFAOYSA-N 0 0 221.191 2.134 10 5 BEBERN O=[N+]([O-])c1c[nH]c2c1ccnc2Br ZINC000044713183 352384215 /nfs/dbraw/zinc/38/42/15/352384215.db2.gz TYVWXIXPMLKSEL-UHFFFAOYSA-N 0 0 242.032 2.234 10 5 BEBERN O=C1CSC(c2ccc([N+](=O)[O-])cc2)=N1 ZINC000307704269 353053782 /nfs/dbraw/zinc/05/37/82/353053782.db2.gz SLKPJUWBFBYSKC-UHFFFAOYSA-N 0 0 222.225 2.424 10 5 BEBERN C[C@H]([C@H](O)c1cccc(Cl)c1)[N+](=O)[O-] ZINC000307753734 353128118 /nfs/dbraw/zinc/12/81/18/353128118.db2.gz WWRVKIPHIFCJKV-MUWHJKNJSA-N 0 0 215.636 2.039 10 5 BEBERN CC(=O)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000039426403 188110370 /nfs/dbraw/zinc/11/03/70/188110370.db2.gz HDZWEKDWSMRLBT-UHFFFAOYSA-N 0 0 222.225 2.407 10 5 BEBERN CC1(C)C[C@H]1Nc1cc([N+](=O)[O-])ccn1 ZINC000045135632 188153106 /nfs/dbraw/zinc/15/31/06/188153106.db2.gz UNHBJNZCENVIMM-MRVPVSSYSA-N 0 0 207.233 2.200 10 5 BEBERN O=[N+]([O-])c1ncc(OC2CC2)cc1Cl ZINC000095735906 188146320 /nfs/dbraw/zinc/14/63/20/188146320.db2.gz OERDZYIKBZROOF-UHFFFAOYSA-N 0 0 214.608 2.184 10 5 BEBERN C/C(=C\c1cncc(Br)c1)[N+](=O)[O-] ZINC000308094777 353824021 /nfs/dbraw/zinc/82/40/21/353824021.db2.gz YITSSUAOHVCSHI-QHHAFSJGSA-N 0 0 243.060 2.482 10 5 BEBERN CCOC(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000035333374 357186355 /nfs/dbraw/zinc/18/63/55/357186355.db2.gz OMKDLKXWXWBLAD-UHFFFAOYSA-N 0 0 223.228 2.388 10 5 BEBERN COC(=O)/C(Cl)=C/c1ccccc1[N+](=O)[O-] ZINC000584611862 358275818 /nfs/dbraw/zinc/27/58/18/358275818.db2.gz NMYUPZXQTGHYQQ-VURMDHGXSA-N 0 0 241.630 2.348 10 5 BEBERN CCOC(=O)C[C@@H](CC)[C@H](CC)C[N+](=O)[O-] ZINC000584609021 358269798 /nfs/dbraw/zinc/26/97/98/358269798.db2.gz YFMUMSRQHCUCAI-NXEZZACHSA-N 0 0 231.292 2.269 10 5 BEBERN Cn1c(=N)scc1-c1cccc([N+](=O)[O-])c1 ZINC000584625562 358294218 /nfs/dbraw/zinc/29/42/18/358294218.db2.gz SYVCLHISQYCXEW-UHFFFAOYSA-N 0 0 235.268 2.141 10 5 BEBERN C[N@@+]1([O-])CCC2=C(Cc3ccccc32)C1 ZINC000584618736 358284802 /nfs/dbraw/zinc/28/48/02/358284802.db2.gz UUKLGWZSQLGLMP-CQSZACIVSA-N 0 0 201.269 2.344 10 5 BEBERN CC(C)n1cc(Br)c([N+](=O)[O-])n1 ZINC000040517282 359102300 /nfs/dbraw/zinc/10/23/00/359102300.db2.gz XQRWPGXSWMTXER-UHFFFAOYSA-N 0 0 234.053 2.135 10 5 BEBERN CONc1ccc([N+](=O)[O-])cc1Cl ZINC000306279578 359508491 /nfs/dbraw/zinc/50/84/91/359508491.db2.gz HOVTTXSPPGRKAC-UHFFFAOYSA-N 0 0 202.597 2.222 10 5 BEBERN O=[N+]([O-])c1ccc(OC(F)(F)F)nc1F ZINC000238593585 361161077 /nfs/dbraw/zinc/16/10/77/361161077.db2.gz JLSNAFIPQBYYCV-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN O=[N+]([O-])c1cc(Cl)c(Br)cn1 ZINC000238580519 361156969 /nfs/dbraw/zinc/15/69/69/361156969.db2.gz JKHRSHCUUQYVBK-UHFFFAOYSA-N 0 0 237.440 2.406 10 5 BEBERN CC(C)(C)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000079754085 370690222 /nfs/dbraw/zinc/69/02/22/370690222.db2.gz ONTPUCLBHILDKY-UHFFFAOYSA-N 0 0 237.255 2.479 10 5 BEBERN NC1=NC(=O)SC1=Cc1cccc([N+](=O)[O-])c1 ZINC000072414722 181338443 /nfs/dbraw/zinc/33/84/43/181338443.db2.gz MWXSGYARNUOJPG-YVMONPNESA-N 0 0 249.251 2.160 10 5 BEBERN O=Cc1cccc([N+](=O)[O-])c1C(F)(F)F ZINC000139120475 361573979 /nfs/dbraw/zinc/57/39/79/361573979.db2.gz LENLYIUAIZPRRU-UHFFFAOYSA-N 0 0 219.118 2.426 10 5 BEBERN COc1c(N)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000225262130 369298931 /nfs/dbraw/zinc/29/89/31/369298931.db2.gz GZOBLNPKBWVGGM-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN O=[N+]([O-])c1cccc(Cl)c1N[C@@H]1C[C@H]1CO ZINC000309824329 370264467 /nfs/dbraw/zinc/26/44/67/370264467.db2.gz HDZRURRYDADFTI-POYBYMJQSA-N 0 0 242.662 2.041 10 5 BEBERN NNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000037291005 181518015 /nfs/dbraw/zinc/51/80/15/181518015.db2.gz IBDCOVUBJFKHKU-UHFFFAOYSA-N 0 0 222.031 2.187 10 5 BEBERN O=[N+]([O-])c1ccc(Oc2cccc(CO)c2)nc1 ZINC000020457187 371282933 /nfs/dbraw/zinc/28/29/33/371282933.db2.gz MQJBOWOGAUKILK-UHFFFAOYSA-N 0 0 246.222 2.274 10 5 BEBERN Nc1ccc2c3ccccc3[nH]c(=O)c2c1 ZINC000075619278 181731624 /nfs/dbraw/zinc/73/16/24/181731624.db2.gz XUZGPGXCMMSYDH-UHFFFAOYSA-N 0 0 210.236 2.264 10 5 BEBERN O=[N+]([O-])c1cnc(NCC[C@@H]2CCCO2)s1 ZINC000226770633 371741464 /nfs/dbraw/zinc/74/14/64/371741464.db2.gz FFOBKICJUPOYSF-ZETCQYMHSA-N 0 0 243.288 2.032 10 5 BEBERN Cc1cnc([C@@H](C)Nc2cccnc2[N+](=O)[O-])o1 ZINC000226547745 371693210 /nfs/dbraw/zinc/69/32/10/371693210.db2.gz GTGLVYXYWGBMRI-MRVPVSSYSA-N 0 0 248.242 2.459 10 5 BEBERN Cn1cnc([N+](=O)[O-])c1NCCC1CCCC1 ZINC000029625621 371792410 /nfs/dbraw/zinc/79/24/10/371792410.db2.gz KYYPJEXTZPHKSP-UHFFFAOYSA-N 0 0 238.291 2.321 10 5 BEBERN COC(=O)c1cc([N+](=O)[O-])cc(C)c1Cl ZINC000164124452 372106124 /nfs/dbraw/zinc/10/61/24/372106124.db2.gz PEOCEMQPRMIXHM-UHFFFAOYSA-N 0 0 229.619 2.343 10 5 BEBERN Cc1ccc(N)c(Br)c1[N+](=O)[O-] ZINC000307645450 372136478 /nfs/dbraw/zinc/13/64/78/372136478.db2.gz YOMUCOWIGSTTQP-UHFFFAOYSA-N 0 0 231.049 2.248 10 5 BEBERN O=C(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000050964067 182038848 /nfs/dbraw/zinc/03/88/48/182038848.db2.gz SYKOONUCPMXWPY-CYBMUJFWSA-N 0 0 249.266 2.276 10 5 BEBERN CCOC(=O)C[C@@H](CC(C)C)[C@@H](C)[N+](=O)[O-] ZINC000021988633 170230868 /nfs/dbraw/zinc/23/08/68/170230868.db2.gz DGATUCXCJUZUJD-NXEZZACHSA-N 0 0 231.292 2.267 10 5 BEBERN O=[N+]([O-])c1cc(C2OCCO2)ccc1Cl ZINC000044227739 182921361 /nfs/dbraw/zinc/92/13/61/182921361.db2.gz ABPIQVYAHYEKNG-UHFFFAOYSA-N 0 0 229.619 2.294 10 5 BEBERN O=[N+]([O-])c1ccc(CO[C@H]2CCCCO2)o1 ZINC000000162101 182930386 /nfs/dbraw/zinc/93/03/86/182930386.db2.gz OHDHWVXJNNVQLR-JTQLQIEISA-N 0 0 227.216 2.231 10 5 BEBERN O=[N+]([O-])c1cncc(Cl)c1OC1CC1 ZINC000095735809 182958385 /nfs/dbraw/zinc/95/83/85/182958385.db2.gz QWJQTZZWCQAKCB-UHFFFAOYSA-N 0 0 214.608 2.184 10 5 BEBERN O=c1ccc2nccc3c4cc(O)ccc4n1c32 ZINC000013282576 183002411 /nfs/dbraw/zinc/00/24/11/183002411.db2.gz FZLISVGXWLVEPB-UHFFFAOYSA-N 0 0 236.230 2.144 10 5 biogenic,in-vitro BEBERN CCCNc1nccc(Cl)c1[N+](=O)[O-] ZINC000083348440 169296958 /nfs/dbraw/zinc/29/69/58/169296958.db2.gz CFGWCJTZJYJTHQ-UHFFFAOYSA-N 0 0 215.640 2.465 10 5 BEBERN CCC[C@H](O)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000134444935 169520241 /nfs/dbraw/zinc/52/02/41/169520241.db2.gz SRGVDMPCXJZFMW-VIFPVBQESA-N 0 0 242.250 2.307 10 5 BEBERN Cc1nc(-c2ccc(F)cc2)n(C)c1[N+](=O)[O-] ZINC000005116107 384101103 /nfs/dbraw/zinc/10/11/03/384101103.db2.gz RPGSCNXOVOIKNC-UHFFFAOYSA-N 0 0 235.218 2.443 10 5 BEBERN Cc1ccc(N)c([N+](=O)[O-])c1Br ZINC000216635054 384261542 /nfs/dbraw/zinc/26/15/42/384261542.db2.gz BVSGAMRDRXMGAB-UHFFFAOYSA-N 0 0 231.049 2.248 10 5 BEBERN O=Cc1ccc2[nH]c3cc(=O)ccc-3nc2c1 ZINC000028125847 384368081 /nfs/dbraw/zinc/36/80/81/384368081.db2.gz VWWYGSSHZOUHQB-UHFFFAOYSA-N 0 0 224.219 2.301 10 5 BEBERN COc1cc(C=O)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575666583 384437940 /nfs/dbraw/zinc/43/79/40/384437940.db2.gz WIDDGLJFZRHJOB-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN CC(=O)Cc1c2c([N+](=O)[O-])c(c(F)c1F)O2 ZINC000100041584 384613173 /nfs/dbraw/zinc/61/31/73/384613173.db2.gz ALBLVDKBUYRVOT-UHFFFAOYSA-N 0 0 229.138 2.110 10 5 BEBERN CCn1cc(C=O)c2cccc([N+](=O)[O-])c21 ZINC000536954679 384805036 /nfs/dbraw/zinc/80/50/36/384805036.db2.gz RXTFGQASCGUSSR-UHFFFAOYSA-N 0 0 218.212 2.382 10 5 BEBERN CC(=O)c1c(N)c(Cl)ccc1[N+](=O)[O-] ZINC000575716553 384876988 /nfs/dbraw/zinc/87/69/88/384876988.db2.gz RYWYJXPBUKDRGV-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN C=COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000584623206 385642596 /nfs/dbraw/zinc/64/25/96/385642596.db2.gz SRFOJWNBDIERJA-UHFFFAOYSA-N 0 0 210.145 2.025 10 5 BEBERN CCOc1ccc(F)c(F)c1[N+](=O)[O-] ZINC000306940914 385657186 /nfs/dbraw/zinc/65/71/86/385657186.db2.gz QDWPRQCCZHQWHH-UHFFFAOYSA-N 0 0 203.144 2.272 10 5 BEBERN COC[C@H](C)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000052120748 385702028 /nfs/dbraw/zinc/70/20/28/385702028.db2.gz RNGRHLISMVTRAR-MRVPVSSYSA-N 0 0 242.250 2.428 10 5 BEBERN CCOC(=O)Cc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000575397149 386995940 /nfs/dbraw/zinc/99/59/40/386995940.db2.gz BMMOQZZGPAGHLQ-UHFFFAOYSA-N 0 0 237.255 2.317 10 5 BEBERN CCOC(=O)Cc1c(C)c(C)ccc1[N+](=O)[O-] ZINC000575397158 386998128 /nfs/dbraw/zinc/99/81/28/386998128.db2.gz XQWAHFIUOVRVHL-UHFFFAOYSA-N 0 0 237.255 2.317 10 5 BEBERN CCOC(=O)Cc1cc(C)c([N+](=O)[O-])cc1F ZINC000575397283 386998435 /nfs/dbraw/zinc/99/84/35/386998435.db2.gz UPYOKNYGPLUZLZ-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCc1c(O)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575658201 387045649 /nfs/dbraw/zinc/04/56/49/387045649.db2.gz ADQMAANJRPXURP-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN CCc1cc(OC(F)F)cc(CO)c1[N+](=O)[O-] ZINC000575658823 387046157 /nfs/dbraw/zinc/04/61/57/387046157.db2.gz IPPAICDOVDJBRV-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CCc1cc(OC(F)F)cc([N+](=O)[O-])c1CO ZINC000575657947 387051394 /nfs/dbraw/zinc/05/13/94/387051394.db2.gz CIDVEYHYMJUMDA-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CCc1c(OC(F)F)cc(O)cc1[N+](=O)[O-] ZINC000575660587 387053784 /nfs/dbraw/zinc/05/37/84/387053784.db2.gz SZZYVFWVIXUAPP-UHFFFAOYSA-N 0 0 233.170 2.464 10 5 BEBERN CCc1ccc([N+](=O)[O-])c(OC(F)F)c1CO ZINC000575660197 387054432 /nfs/dbraw/zinc/05/44/32/387054432.db2.gz UMVRWAJHRCUASS-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN O=[N+]([O-])c1ccc([C@H]2CCCO2)nc1Cl ZINC000575434438 387057580 /nfs/dbraw/zinc/05/75/80/387057580.db2.gz YFDPAWWRTYCPQA-MRVPVSSYSA-N 0 0 228.635 2.495 10 5 BEBERN COc1cc(OC(F)F)c(F)c([N+](=O)[O-])c1 ZINC000575661401 387060743 /nfs/dbraw/zinc/06/07/43/387060743.db2.gz ORAUYECWNIHQIQ-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN O=Cc1cc(OC(F)F)c(F)c([N+](=O)[O-])c1 ZINC000575661427 387061405 /nfs/dbraw/zinc/06/14/05/387061405.db2.gz PJALOUUABSDBHG-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN CCOc1c(C(F)F)cc(CO)cc1[N+](=O)[O-] ZINC000575665984 387311693 /nfs/dbraw/zinc/31/16/93/387311693.db2.gz JEMQPGZZNRPUPB-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(CO)cc1C(F)F ZINC000575665312 387313254 /nfs/dbraw/zinc/31/32/54/387313254.db2.gz DQCNMKDWCKMEBN-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN Cc1cc(OC(F)F)c(C=O)cc1[N+](=O)[O-] ZINC000575665517 387314983 /nfs/dbraw/zinc/31/49/83/387314983.db2.gz FQQAHZJFRIGWTA-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN COc1cc(C(C)=O)cc(C)c1[N+](=O)[O-] ZINC000575674614 387358520 /nfs/dbraw/zinc/35/85/20/387358520.db2.gz UDRWVTZMPWISPJ-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN COc1cc([N+](=O)[O-])c(C(C)=O)cc1C ZINC000575675712 387359484 /nfs/dbraw/zinc/35/94/84/387359484.db2.gz XFJQSVKPEOXALS-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN Cc1cc([N+](=O)[O-])cc(O)c1OC(F)F ZINC000575667540 387322366 /nfs/dbraw/zinc/32/23/66/387322366.db2.gz OZFISMQHEXFFPE-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN CCOc1cc(C(F)F)cc([N+](=O)[O-])c1CO ZINC000575668316 387324883 /nfs/dbraw/zinc/32/48/83/387324883.db2.gz VNUSVUOOIZJHIS-UHFFFAOYSA-N 0 0 247.197 2.423 10 5 BEBERN COc1c(C=O)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575672332 387337511 /nfs/dbraw/zinc/33/75/11/387337511.db2.gz YYXJDTPPPMSSBF-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN CCOC(=O)c1c(C)c(OC)ccc1[N+](=O)[O-] ZINC000575673246 387340774 /nfs/dbraw/zinc/34/07/74/387340774.db2.gz GUPLRABWESETCQ-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN COc1cc([N+](=O)[O-])cc(C)c1C(C)=O ZINC000575673249 387341495 /nfs/dbraw/zinc/34/14/95/387341495.db2.gz GXRYQWLIWVSLSU-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN CCOC(=O)c1cc(OC)cc(C)c1[N+](=O)[O-] ZINC000575673251 387341557 /nfs/dbraw/zinc/34/15/57/387341557.db2.gz GYLCQIWDVFNIOX-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN CCOC(=O)c1cc(C)c([N+](=O)[O-])cc1OC ZINC000575673231 387341750 /nfs/dbraw/zinc/34/17/50/387341750.db2.gz GEVSBJDTVPDSEI-UHFFFAOYSA-N 0 0 239.227 2.089 10 5 BEBERN CC(=O)c1c(Cl)cc(N)cc1[N+](=O)[O-] ZINC000575716114 387431910 /nfs/dbraw/zinc/43/19/10/387431910.db2.gz KOKCHQROMHXYMW-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1c(N)ccc([N+](=O)[O-])c1Cl ZINC000575716686 387433199 /nfs/dbraw/zinc/43/31/99/387433199.db2.gz VBPLKKWTLKRAAS-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1cc(N)c([N+](=O)[O-])c(Cl)c1 ZINC000575716776 387433965 /nfs/dbraw/zinc/43/39/65/387433965.db2.gz WHVUZHXSKWXCPZ-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1cc([N+](=O)[O-])c(N)cc1Cl ZINC000575716955 387435368 /nfs/dbraw/zinc/43/53/68/387435368.db2.gz ZMHKRWAQOWOUSC-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1cc([N+](=O)[O-])cc(N)c1C(F)(F)F ZINC000575719886 387440384 /nfs/dbraw/zinc/44/03/84/387440384.db2.gz NZERVJFVGAYQEE-UHFFFAOYSA-N 0 0 248.160 2.398 10 5 BEBERN Nc1ccc([N+](=O)[O-])c(Cl)c1OC(F)F ZINC000575722187 387444862 /nfs/dbraw/zinc/44/48/62/387444862.db2.gz GUKWTNALRJCCMQ-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN CCOc1cc(C=O)c([N+](=O)[O-])c(CC)c1 ZINC000575697471 387390710 /nfs/dbraw/zinc/39/07/10/387390710.db2.gz WUKZXXQAJDQDBU-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CCOc1cc(C=O)c([N+](=O)[O-])cc1C ZINC000575698733 387391749 /nfs/dbraw/zinc/39/17/49/387391749.db2.gz HRFSZYZMYRLMRJ-UHFFFAOYSA-N 0 0 209.201 2.114 10 5 BEBERN CCOc1c(F)cc([N+](=O)[O-])cc1OC ZINC000575695210 387393846 /nfs/dbraw/zinc/39/38/46/387393846.db2.gz DHNJCTUPAHJWKY-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CCOc1cc(C=O)c(CC)cc1[N+](=O)[O-] ZINC000575695248 387394020 /nfs/dbraw/zinc/39/40/20/387394020.db2.gz HLHGXTJLJKVTSU-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CCOc1c(O)cc(CC)cc1[N+](=O)[O-] ZINC000575695494 387395429 /nfs/dbraw/zinc/39/54/29/387395429.db2.gz JDFKWPTXENEKHT-UHFFFAOYSA-N 0 0 211.217 2.262 10 5 BEBERN CCOc1cc(CO)cc(CC)c1[N+](=O)[O-] ZINC000575695434 387395863 /nfs/dbraw/zinc/39/58/63/387395863.db2.gz IICDITOXRPEURE-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN CCc1ccc(OC)c([N+](=O)[O-])c1OC ZINC000575696274 387396185 /nfs/dbraw/zinc/39/61/85/387396185.db2.gz MPNXWYAVZGNUHT-UHFFFAOYSA-N 0 0 211.217 2.174 10 5 BEBERN CCOc1c(CC)cc([N+](=O)[O-])cc1CO ZINC000575695477 387396214 /nfs/dbraw/zinc/39/62/14/387396214.db2.gz IRWKWZSLHKZBPX-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN CCOc1ccc([N+](=O)[O-])c(OC)c1OC ZINC000575696963 387396752 /nfs/dbraw/zinc/39/67/52/387396752.db2.gz UTIPQKWMGZTKGH-UHFFFAOYSA-N 0 0 227.216 2.011 10 5 BEBERN CCOc1cc(F)cc([N+](=O)[O-])c1OC ZINC000575696685 387397181 /nfs/dbraw/zinc/39/71/81/387397181.db2.gz MGMZGLHMBYIMBY-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CCOc1cc(CC)c(C=O)cc1[N+](=O)[O-] ZINC000575697123 387398693 /nfs/dbraw/zinc/39/86/93/387398693.db2.gz UWQCLFIFEVNMTH-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CSc1cc(C=O)c(F)c([N+](=O)[O-])c1 ZINC000575710225 387415575 /nfs/dbraw/zinc/41/55/75/387415575.db2.gz RHPCFTFFSAJUCQ-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN COC(=O)c1cc(OC)cc(Cl)c1[N+](=O)[O-] ZINC000575713202 387416761 /nfs/dbraw/zinc/41/67/61/387416761.db2.gz RNLCAVQKFGUVPI-UHFFFAOYSA-N 0 0 245.618 2.043 10 5 BEBERN COC(=O)c1c(F)c(Cl)ccc1[N+](=O)[O-] ZINC000575712814 387417348 /nfs/dbraw/zinc/41/73/48/387417348.db2.gz NHZBJRJFPQFUSS-UHFFFAOYSA-N 0 0 233.582 2.174 10 5 BEBERN COc1cc([N+](=O)[O-])cc(C(F)(F)F)c1C=O ZINC000575729515 387467449 /nfs/dbraw/zinc/46/74/49/387467449.db2.gz MGQVWGKGINNYEV-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1cc([N+](=O)[O-])c(C=O)cc1C(F)(F)F ZINC000575729770 387468227 /nfs/dbraw/zinc/46/82/27/387468227.db2.gz HLWACOKILHJEHU-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN COc1c(C(F)(F)F)ccc(N)c1[N+](=O)[O-] ZINC000575730612 387470170 /nfs/dbraw/zinc/47/01/70/387470170.db2.gz YDGUZLIAXQFFOA-UHFFFAOYSA-N 0 0 236.149 2.204 10 5 BEBERN CCOC[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000044725896 387692962 /nfs/dbraw/zinc/69/29/62/387692962.db2.gz URVUWLFOHYBKNF-VIFPVBQESA-N 0 0 224.260 2.432 10 5 BEBERN Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2C[C@H]2C)n1 ZINC000309743683 177877084 /nfs/dbraw/zinc/87/70/84/177877084.db2.gz DYIKCNJZBXBKRQ-MUWHJKNJSA-N 0 0 221.260 2.427 10 5 BEBERN COc1cc(F)c([N+](=O)[O-])cc1OC(F)F ZINC000575660940 387947148 /nfs/dbraw/zinc/94/71/48/387947148.db2.gz DOCSBNQGZNSEFU-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN O=[N+]([O-])c1ccccc1Cc1nc(C2CC2)no1 ZINC000409438422 256601608 /nfs/dbraw/zinc/60/16/08/256601608.db2.gz MSQDSFIMJVTHEH-UHFFFAOYSA-N 0 0 245.238 2.446 10 5 BEBERN C[C@@H]1C[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000122197533 388368265 /nfs/dbraw/zinc/36/82/65/388368265.db2.gz WEKPWAPKEPVTTG-SFYZADRCSA-N 0 0 207.233 2.058 10 5 BEBERN Cc1c(NC(=O)N[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000076033326 388370371 /nfs/dbraw/zinc/37/03/71/388370371.db2.gz WCBPZYIFSKCSHV-OIBJUYFYSA-N 0 0 249.270 2.433 10 5 BEBERN CC[C@@H](C)c1cc([N+](=O)[O-])cc(N)c1O ZINC000038171355 388401677 /nfs/dbraw/zinc/40/16/77/388401677.db2.gz CIMKCSKJNMVQAL-ZCFIWIBFSA-N 0 0 210.233 2.396 10 5 BEBERN CN(C)c1ccc(-c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000253572965 388616572 /nfs/dbraw/zinc/61/65/72/388616572.db2.gz QVKJHMRZVREFHX-UHFFFAOYSA-N 0 0 232.243 2.051 10 5 BEBERN O=[N+]([O-])c1ccc(CNC(F)(F)F)cc1 ZINC000095081606 388757768 /nfs/dbraw/zinc/75/77/68/388757768.db2.gz RJNGZWPZERKOBC-UHFFFAOYSA-N 0 0 220.150 2.204 10 5 BEBERN CC(C)Nc1n[nH]c2cc([N+](=O)[O-])ccc21 ZINC000089196024 167149667 /nfs/dbraw/zinc/14/96/67/167149667.db2.gz NOTQHGDIZLMKJI-UHFFFAOYSA-N 0 0 220.232 2.291 10 5 BEBERN CCOC(=O)C[C@H](CC(C)C)[C@H](C)[N+](=O)[O-] ZINC000021988639 170232983 /nfs/dbraw/zinc/23/29/83/170232983.db2.gz DGATUCXCJUZUJD-UWVGGRQHSA-N 0 0 231.292 2.267 10 5 BEBERN CCOC(=O)c1cn(C)c2c1cccc2[N+](=O)[O-] ZINC000299890049 170300851 /nfs/dbraw/zinc/30/08/51/170300851.db2.gz SUUCJKGQCDFPMD-UHFFFAOYSA-N 0 0 248.238 2.263 10 5 BEBERN CCOc1sc(C(C)=O)cc1[N+](=O)[O-] ZINC000039100148 170605871 /nfs/dbraw/zinc/60/58/71/170605871.db2.gz XNOAFLYGBRJOGZ-UHFFFAOYSA-N 0 0 215.230 2.258 10 5 BEBERN CC[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1N ZINC000052840455 170725482 /nfs/dbraw/zinc/72/54/82/170725482.db2.gz OWLYKTYJADHUFP-MRVPVSSYSA-N 0 0 223.276 2.412 10 5 BEBERN CC[C@@H](C)Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC000004243357 170761235 /nfs/dbraw/zinc/76/12/35/170761235.db2.gz WLVLXRAGWVPOTF-RXMQYKEDSA-N 0 0 230.655 2.249 10 5 BEBERN CCc1ccc(OC2CC2)c([N+](=O)[O-])n1 ZINC000095719983 171826509 /nfs/dbraw/zinc/82/65/09/171826509.db2.gz QALGMFINOSASGH-UHFFFAOYSA-N 0 0 208.217 2.093 10 5 BEBERN CCn1c2ccc([N+](=O)[O-])cc2nc1NC ZINC000039102232 172146570 /nfs/dbraw/zinc/14/65/70/172146570.db2.gz ANMGKUOKPLHFKR-UHFFFAOYSA-N 0 0 220.232 2.006 10 5 BEBERN CN(C)c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000045238166 172577979 /nfs/dbraw/zinc/57/79/79/172577979.db2.gz CWIVIIKYJXVVMN-UHFFFAOYSA-N 0 0 223.257 2.271 10 5 BEBERN CNc1cc(OC2CC2)cc([N+](=O)[O-])c1 ZINC000095730727 173474854 /nfs/dbraw/zinc/47/48/54/173474854.db2.gz FRQZARILCWCGIX-UHFFFAOYSA-N 0 0 208.217 2.178 10 5 BEBERN CNc1cc(OC2CC2)ccc1[N+](=O)[O-] ZINC000095719613 173474872 /nfs/dbraw/zinc/47/48/72/173474872.db2.gz IQOCAMZBOIHMOR-UHFFFAOYSA-N 0 0 208.217 2.178 10 5 BEBERN COc1ccc2c(c1)[nH]c(C)c2[N+](=O)[O-] ZINC000098099691 175205373 /nfs/dbraw/zinc/20/53/73/175205373.db2.gz GEQXXXAPIGYGHY-UHFFFAOYSA-N 0 0 206.201 2.393 10 5 BEBERN CSCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000122572594 175499501 /nfs/dbraw/zinc/49/95/01/175499501.db2.gz DOANLPORNLHFAX-UHFFFAOYSA-N 0 0 247.707 2.418 10 5 BEBERN C[C@@H](O)[C@H](C)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000087139202 177022604 /nfs/dbraw/zinc/02/26/04/177022604.db2.gz JEWORZQXRVBSNY-RQJHMYQMSA-N 0 0 245.662 2.396 10 5 BEBERN C[C@H]1C[C@@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129781383 177350693 /nfs/dbraw/zinc/35/06/93/177350693.db2.gz MDZRUQIHOZDHNZ-FSPLSTOPSA-N 0 0 227.651 2.464 10 5 BEBERN CS(C)(=O)=Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000536952136 323958064 /nfs/dbraw/zinc/95/80/64/323958064.db2.gz BKXGLDQPYAOLPL-UHFFFAOYSA-N 0 0 232.236 2.093 10 5 BEBERN CC1(C)[C@@H](O)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000088179004 520640216 /nfs/dbraw/zinc/64/02/16/520640216.db2.gz ODRIPCLHMNNNND-QWRGUYRKSA-N 0 0 221.256 2.469 10 5 BEBERN COC(=O)CC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000057348799 522921251 /nfs/dbraw/zinc/92/12/51/522921251.db2.gz IYSSPGSHBKEIAV-UHFFFAOYSA-N 0 0 237.255 2.436 10 5 BEBERN CCc1nn(C)c(N[C@H]2C[C@@H]2CC)c1[N+](=O)[O-] ZINC000220008874 536182614 /nfs/dbraw/zinc/18/26/14/536182614.db2.gz XQZDVLDMZJDROA-CBAPKCEASA-N 0 0 238.291 2.101 10 5 BEBERN Cc1ccc2oc(=O)c([N+](=O)[O-])cc2c1 ZINC000231416334 585030040 /nfs/dbraw/zinc/03/00/40/585030040.db2.gz MRRKEUKDMYOJQN-UHFFFAOYSA-N 0 0 205.169 2.010 10 5 BEBERN O=[N+]([O-])c1ccc(SC(F)F)nc1 ZINC000757136221 586427032 /nfs/dbraw/zinc/42/70/32/586427032.db2.gz NALQIGKNPGTIRB-UHFFFAOYSA-N 0 0 206.173 2.305 10 5 BEBERN COC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000201369873 589089564 /nfs/dbraw/zinc/08/95/64/589089564.db2.gz PSKQMOVEPBBTCO-FPLPWBNLSA-N 0 0 221.212 2.171 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCCF ZINC000125533322 590167924 /nfs/dbraw/zinc/16/79/24/590167924.db2.gz VANYDVZJGMCZMG-UHFFFAOYSA-N 0 0 227.191 2.030 10 5 BEBERN Cc1ccc(OC(=O)[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000131672635 591636988 /nfs/dbraw/zinc/63/69/88/591636988.db2.gz IACUFYUIWLCSBX-SCZZXKLOSA-N 0 0 235.239 2.465 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H](C)O)c1 ZINC000309945318 632686153 /nfs/dbraw/zinc/68/61/53/632686153.db2.gz DECOOOKNTUPXGN-RKDXNWHRSA-N 0 0 224.260 2.084 10 5 BEBERN Cc1ccc(N[C@@H](C)[C@H](C)O)c([N+](=O)[O-])c1 ZINC000336781415 635281562 /nfs/dbraw/zinc/28/15/62/635281562.db2.gz UPXHHECYIPYJTG-IUCAKERBSA-N 0 0 224.260 2.084 10 5 BEBERN CC(=O)[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000111690951 712688209 /nfs/dbraw/zinc/68/82/09/712688209.db2.gz QDRUCJWDTLBRQD-LLVKDONJSA-N 0 0 248.282 2.400 10 5 BEBERN Cc1cc([N+](=O)[O-])c(Br)cc1N ZINC000095845575 178269984 /nfs/dbraw/zinc/26/99/84/178269984.db2.gz SGADFWYBCVHBGJ-UHFFFAOYSA-N 0 0 231.049 2.248 10 5 BEBERN Cc1ccc(-c2cc(N)on2)cc1[N+](=O)[O-] ZINC000020078632 178321682 /nfs/dbraw/zinc/32/16/82/178321682.db2.gz MJRDZTHXUHBTAL-UHFFFAOYSA-N 0 0 219.200 2.140 10 5 BEBERN Cc1ccc(-c2nnc(N)s2)cc1[N+](=O)[O-] ZINC000008726816 178340909 /nfs/dbraw/zinc/34/09/09/178340909.db2.gz FFHPYCSKJDTYLV-UHFFFAOYSA-N 0 0 236.256 2.004 10 5 BEBERN Cc1ccc(-n2cnc([N+](=O)[O-])c2)cc1 ZINC000034406676 178347121 /nfs/dbraw/zinc/34/71/21/178347121.db2.gz OZPWAWAPPOIVHQ-UHFFFAOYSA-N 0 0 203.201 2.089 10 5 BEBERN O=[N+]([O-])c1ccsc1N[C@H]1CCC[C@@H](O)C1 ZINC000309604627 342745271 /nfs/dbraw/zinc/74/52/71/342745271.db2.gz XOVQUBPZTHEZQQ-JGVFFNPUSA-N 0 0 242.300 2.372 10 5 BEBERN O=[N+]([O-])c1cccc(-c2noc(Cl)n2)c1 ZINC000037926764 342922166 /nfs/dbraw/zinc/92/21/66/342922166.db2.gz GPAPXSVXVVCFIG-UHFFFAOYSA-N 0 0 225.591 2.298 10 5 BEBERN C[C@H](CO)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000116252553 342923027 /nfs/dbraw/zinc/92/30/27/342923027.db2.gz KZHBKKRUCVHAPW-SSDOTTSWSA-N 0 0 220.228 2.172 10 5 BEBERN O=C(c1ccc(F)c([N+](=O)[O-])c1)C(F)(F)F ZINC000117493991 343000897 /nfs/dbraw/zinc/00/08/97/343000897.db2.gz YZAQYIRUCACCNF-UHFFFAOYSA-N 0 0 237.108 2.479 10 5 BEBERN Cc1ccc(-c2ccc([N+](=O)[O-])nc2)cn1 ZINC000584880829 343081702 /nfs/dbraw/zinc/08/17/02/343081702.db2.gz NXWOHQXCEWXQOY-UHFFFAOYSA-N 0 0 215.212 2.360 10 5 BEBERN O=[N+]([O-])c1ccccc1N[C@@H]1CCC[C@@H](O)C1 ZINC000148553562 343392712 /nfs/dbraw/zinc/39/27/12/343392712.db2.gz WCQHTXNFJXIKIQ-NXEZZACHSA-N 0 0 236.271 2.310 10 5 BEBERN O=[N+]([O-])c1nccc(CF)c1OC(F)(F)F ZINC000309228666 344233882 /nfs/dbraw/zinc/23/38/82/344233882.db2.gz VIUCEIKMNHEXFK-UHFFFAOYSA-N 0 0 240.112 2.358 10 5 BEBERN CCn1nc(C(F)(F)F)c([N+](=O)[O-])c1Cl ZINC000085019162 344201240 /nfs/dbraw/zinc/20/12/40/344201240.db2.gz JLCDZDURWYCMSU-UHFFFAOYSA-N 0 0 243.572 2.483 10 5 BEBERN O=[N+]([O-])c1c(F)ccc(OC(F)F)c1F ZINC000396127671 344610199 /nfs/dbraw/zinc/61/01/99/344610199.db2.gz RKJPMCJBHWXBHH-UHFFFAOYSA-N 0 0 225.097 2.474 10 5 BEBERN O=[N+]([O-])C[C@@H](c1ccc[nH]1)c1ccccc1 ZINC000135778587 344889071 /nfs/dbraw/zinc/88/90/71/344889071.db2.gz OQBKIIBFDPNSIV-LLVKDONJSA-N 0 0 216.240 2.423 10 5 BEBERN CNc1ccc([N+](=O)[O-])cc1CSC ZINC000050839191 345503417 /nfs/dbraw/zinc/50/34/17/345503417.db2.gz AMCFPATYABZGKK-UHFFFAOYSA-N 0 0 212.274 2.500 10 5 BEBERN O=[N+]([O-])c1ccc(NO[C@H]2CCCCO2)cc1 ZINC000091477438 345594422 /nfs/dbraw/zinc/59/44/22/345594422.db2.gz STEQZESMYUPMTN-NSHDSACASA-N 0 0 238.243 2.465 10 5 BEBERN O=CC[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000140421528 345855175 /nfs/dbraw/zinc/85/51/75/345855175.db2.gz LZUVTUQZZKIOJN-VIFPVBQESA-N 0 0 227.647 2.289 10 5 BEBERN Cc1cccc(N[C@@H]2CCC[C@@H]2O)c1[N+](=O)[O-] ZINC000302645888 179154370 /nfs/dbraw/zinc/15/43/70/179154370.db2.gz JCWVBPOHTQRKSN-KOLCDFICSA-N 0 0 236.271 2.229 10 5 BEBERN O=[N+]([O-])c1ccc(-c2cccc(CO)c2)nc1 ZINC000201060245 347868108 /nfs/dbraw/zinc/86/81/08/347868108.db2.gz YJJMHQSTYVZDCI-UHFFFAOYSA-N 0 0 230.223 2.149 10 5 BEBERN CCN1C(=O)CSc2c([N+](=O)[O-])cccc21 ZINC000196334133 347868634 /nfs/dbraw/zinc/86/86/34/347868634.db2.gz BGNMMTIJXKAYQI-UHFFFAOYSA-N 0 0 238.268 2.053 10 5 BEBERN COc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc21 ZINC000198725498 348921096 /nfs/dbraw/zinc/92/10/96/348921096.db2.gz ZWSMZSMNVXJSRY-UHFFFAOYSA-N 0 0 249.182 2.060 10 5 BEBERN Cc1cc(-c2ccc([N+](=O)[O-])nc2)sn1 ZINC000669385025 538019297 /nfs/dbraw/zinc/01/92/97/538019297.db2.gz UFLAWQKNMILESQ-UHFFFAOYSA-N 0 0 221.241 2.422 10 5 BEBERN Cc1nc2cc(N)c([N+](=O)[O-])cc2s1 ZINC000035342582 180082290 /nfs/dbraw/zinc/08/22/90/180082290.db2.gz ZTELEGVWKIBMKX-UHFFFAOYSA-N 0 0 209.230 2.095 10 5 BEBERN CSC1=Nc2cc([N+](=O)[O-])ccc2OC1 ZINC000034133574 350171348 /nfs/dbraw/zinc/17/13/48/350171348.db2.gz SFWSRDDHOBUCAN-UHFFFAOYSA-N 0 0 224.241 2.380 10 5 BEBERN Cc1nc[nH]c1CNc1ccccc1[N+](=O)[O-] ZINC000054795508 180121526 /nfs/dbraw/zinc/12/15/26/180121526.db2.gz GZWIJJBEXHPOQS-UHFFFAOYSA-N 0 0 232.243 2.238 10 5 BEBERN Cc1cc(N)cc(Br)c1[N+](=O)[O-] ZINC000014984867 350228658 /nfs/dbraw/zinc/22/86/58/350228658.db2.gz QDTXPTDJBIUJNO-UHFFFAOYSA-N 0 0 231.049 2.248 10 5 BEBERN Cc1nn(C)c(N[C@H](C)CC(C)C)c1[N+](=O)[O-] ZINC000036749347 180360192 /nfs/dbraw/zinc/36/01/92/180360192.db2.gz XIWIYFOMRJVNQD-MRVPVSSYSA-N 0 0 240.307 2.483 10 5 BEBERN Cc1nn(C)c(N[C@H](C)C(C)C)c1[N+](=O)[O-] ZINC000036749323 180360722 /nfs/dbraw/zinc/36/07/22/180360722.db2.gz XUZJODQQQWPEDG-SSDOTTSWSA-N 0 0 226.280 2.093 10 5 BEBERN CCc1ccc(O[C@@H](C)[C@H](C)O)c([N+](=O)[O-])c1 ZINC000094654944 187455415 /nfs/dbraw/zinc/45/54/15/187455415.db2.gz CKRRSKVSGNQYHC-IUCAKERBSA-N 0 0 239.271 2.305 10 5 BEBERN CCc1nccc([N+](=O)[O-])c1OC1CC1 ZINC000095719680 187455895 /nfs/dbraw/zinc/45/58/95/187455895.db2.gz YHHGJJNZEKLVOL-UHFFFAOYSA-N 0 0 208.217 2.093 10 5 BEBERN CCOC(=O)Cc1ccc([N+](=O)[O-])c(C)c1 ZINC000222380054 350913825 /nfs/dbraw/zinc/91/38/25/350913825.db2.gz BLVUKZOIZHVZFO-UHFFFAOYSA-N 0 0 223.228 2.009 10 5 BEBERN CC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000034973018 351370826 /nfs/dbraw/zinc/37/08/26/351370826.db2.gz MFFUGAWBBYNWFJ-WDEREUQCSA-N 0 0 205.213 2.287 10 5 BEBERN Cc1c(CO)cc(Br)cc1[N+](=O)[O-] ZINC000306971492 351393525 /nfs/dbraw/zinc/39/35/25/351393525.db2.gz KCNJRNHMWBZCRB-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN Cc1cc(Br)c([N+](=O)[O-])cn1 ZINC000307026098 351434397 /nfs/dbraw/zinc/43/43/97/351434397.db2.gz XWPUFNSFBDLNDU-UHFFFAOYSA-N 0 0 217.022 2.061 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(C=O)c1Br ZINC000307110727 351484392 /nfs/dbraw/zinc/48/43/92/351484392.db2.gz MIYQCOZAIUVHGY-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN Cc1cc(Br)c([N+](=O)[O-])cc1CO ZINC000307310025 351952580 /nfs/dbraw/zinc/95/25/80/351952580.db2.gz FIRASDCQGORIBT-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN Cc1cc(C=O)c(Br)cc1[N+](=O)[O-] ZINC000307341621 352091204 /nfs/dbraw/zinc/09/12/04/352091204.db2.gz VFXPVIZJERUFOE-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN O=[N+]([O-])c1c[nH]c2nc(C(F)(F)F)ccc12 ZINC000044713302 352384164 /nfs/dbraw/zinc/38/41/64/352384164.db2.gz FWSRDLLQNVWSNT-UHFFFAOYSA-N 0 0 231.133 2.490 10 5 BEBERN O=[N+]([O-])c1c2cc[nH]c2ncc1Br ZINC000044712749 352384270 /nfs/dbraw/zinc/38/42/70/352384270.db2.gz ZBDINEBGPIZJOX-UHFFFAOYSA-N 0 0 242.032 2.234 10 5 BEBERN Cc1cc([N+](=O)[O-])c(C=O)cc1Br ZINC000307425467 352592568 /nfs/dbraw/zinc/59/25/68/352592568.db2.gz FEBCSPXCVXYFAF-UHFFFAOYSA-N 0 0 244.044 2.478 10 5 BEBERN COc1ccc([N+](=O)[O-])c(S[C@H](C)CO)c1 ZINC000162502299 187814643 /nfs/dbraw/zinc/81/46/43/187814643.db2.gz ZOFLBJDEKDPDJG-SSDOTTSWSA-N 0 0 243.284 2.076 10 5 BEBERN C[C@H]1C[C@H]1Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129781834 188142812 /nfs/dbraw/zinc/14/28/12/188142812.db2.gz MDZRUQIHOZDHNZ-CAHLUQPWSA-N 0 0 227.651 2.464 10 5 BEBERN COc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]2C)c1 ZINC000085485906 188143114 /nfs/dbraw/zinc/14/31/14/188143114.db2.gz HIURZBLNBGPGPR-VXNVDRBHSA-N 0 0 222.244 2.424 10 5 BEBERN CC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000095766400 166448156 /nfs/dbraw/zinc/44/81/56/166448156.db2.gz ZCUFVAQBFJSTJG-UHFFFAOYSA-N 0 0 234.133 2.211 10 5 BEBERN O=[N+]([O-])c1ccc2[nH]c(CCCCCO)nc2c1 ZINC000026461981 357135690 /nfs/dbraw/zinc/13/56/90/357135690.db2.gz PMKZNBNCRFEGRL-UHFFFAOYSA-N 0 0 249.270 2.176 10 5 BEBERN O=[N+]([O-])/C(F)=C/c1ccc([N+](=O)[O-])cc1 ZINC000584613061 358276954 /nfs/dbraw/zinc/27/69/54/358276954.db2.gz UDTPEPIBSZBJEW-VMPITWQZSA-N 0 0 212.136 2.139 10 5 BEBERN O=[N+]([O-])c1ccc(CN2CC(F)(F)C2)cc1 ZINC000584591820 358250222 /nfs/dbraw/zinc/25/02/22/358250222.db2.gz PIDBBRUMMZGEOH-UHFFFAOYSA-N 0 0 228.198 2.046 10 5 BEBERN O=[N+]([O-])c1ccccc1[C@@H](O)c1ccncc1 ZINC000584608127 358268476 /nfs/dbraw/zinc/26/84/76/358268476.db2.gz SZPZAHVJIQVVHN-LBPRGKRZSA-N 0 0 230.223 2.072 10 5 BEBERN O=[N+]([O-])c1ccc(Nc2ncccn2)cc1F ZINC000584608416 358269038 /nfs/dbraw/zinc/26/90/38/358269038.db2.gz OWXRRWWOFQDOMB-UHFFFAOYSA-N 0 0 234.190 2.268 10 5 BEBERN COc1ccc(Cn2ncc([N+](=O)[O-])c2C)cc1 ZINC000584619130 358285625 /nfs/dbraw/zinc/28/56/25/358285625.db2.gz HEBFMMYGFZPJOM-UHFFFAOYSA-N 0 0 247.254 2.157 10 5 BEBERN N=C1O[C@H](c2cccc([N+](=O)[O-])c2)CS1 ZINC000584625119 358293520 /nfs/dbraw/zinc/29/35/20/358293520.db2.gz HENUKMUCVBSKRI-QMMMGPOBSA-N 0 0 224.241 2.334 10 5 BEBERN O=C1CC[C@H](CF)N1c1ccc([N+](=O)[O-])cc1 ZINC000584636528 358320946 /nfs/dbraw/zinc/32/09/46/358320946.db2.gz BNFQOXAFTXOOPZ-SNVBAGLBSA-N 0 0 238.218 2.060 10 5 BEBERN CC[C@@H]([C@H](O)c1ccc(C)cc1)[N+](=O)[O-] ZINC000039294755 358962580 /nfs/dbraw/zinc/96/25/80/358962580.db2.gz LMBGBTDJYTYMSV-WDEREUQCSA-N 0 0 209.245 2.084 10 5 BEBERN Cc1cc(Br)cc([N+](=O)[O-])c1CO ZINC000306516052 360343754 /nfs/dbraw/zinc/34/37/54/360343754.db2.gz AMBCVORYOYVVQA-UHFFFAOYSA-N 0 0 246.060 2.158 10 5 BEBERN C=CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000036334727 360925836 /nfs/dbraw/zinc/92/58/36/360925836.db2.gz SOTBRJACZHYLBW-UHFFFAOYSA-N 0 0 226.619 2.373 10 5 BEBERN Cc1cnc([N+](=O)[O-])cc1OC(F)(F)F ZINC000238529245 361140022 /nfs/dbraw/zinc/14/00/22/361140022.db2.gz SMUWWKWZNWCERO-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN Cc1c(OC(F)(F)F)cncc1[N+](=O)[O-] ZINC000238549031 361143448 /nfs/dbraw/zinc/14/34/48/361143448.db2.gz FCFPGYPOWRVLBV-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN Cc1c(OC(F)(F)F)ccnc1[N+](=O)[O-] ZINC000238548579 361147741 /nfs/dbraw/zinc/14/77/41/361147741.db2.gz FRDADKNTCNHMHG-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN O=[N+]([O-])c1ncc(F)cc1OC(F)(F)F ZINC000238583352 361159741 /nfs/dbraw/zinc/15/97/41/361159741.db2.gz MKEXEHFBQVDWGK-UHFFFAOYSA-N 0 0 226.085 2.028 10 5 BEBERN Cc1cc(C(=O)N[C@@H]2C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000171044847 361228590 /nfs/dbraw/zinc/22/85/90/361228590.db2.gz HNWUHUWTBDOWMA-GZMMTYOYSA-N 0 0 234.255 2.041 10 5 BEBERN Cc1cc(C(=O)N[C@H]2C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000171044863 361228780 /nfs/dbraw/zinc/22/87/80/361228780.db2.gz HNWUHUWTBDOWMA-KCJUWKMLSA-N 0 0 234.255 2.041 10 5 BEBERN O=[N+]([O-])c1c(F)cc(OC(F)F)cc1F ZINC000139676271 364469780 /nfs/dbraw/zinc/46/97/80/364469780.db2.gz YBKKJJGVZSZDDE-UHFFFAOYSA-N 0 0 225.097 2.474 10 5 BEBERN Cc1ccc2c(c1)nc(N)c1ncc(N)cc21 ZINC000115019537 368967074 /nfs/dbraw/zinc/96/70/74/368967074.db2.gz BFPSJBCRUKDPPW-UHFFFAOYSA-N 0 0 224.267 2.256 10 5 BEBERN CC(C)(C)[C@@H](O)CNc1ccc([N+](=O)[O-])s1 ZINC000309686242 370243453 /nfs/dbraw/zinc/24/34/53/370243453.db2.gz OGBRDROHKGRPMM-ZETCQYMHSA-N 0 0 244.316 2.475 10 5 BEBERN CNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000113819639 370486851 /nfs/dbraw/zinc/48/68/51/370486851.db2.gz CIGWPRIZIBOMIW-UHFFFAOYSA-N 0 0 204.588 2.429 10 5 BEBERN Cc1[nH]cnc1-c1ccc([N+](=O)[O-])cc1 ZINC000078844005 370606845 /nfs/dbraw/zinc/60/68/45/370606845.db2.gz UTPUSAPRMVLEDI-UHFFFAOYSA-N 0 0 203.201 2.293 10 5 BEBERN Cc1ccc(-c2ncccn2)cc1[N+](=O)[O-] ZINC000115059189 370619211 /nfs/dbraw/zinc/61/92/11/370619211.db2.gz SMGUWXXRFHTHSI-UHFFFAOYSA-N 0 0 215.212 2.360 10 5 BEBERN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1C[C@H]1CO ZINC000378671882 371013560 /nfs/dbraw/zinc/01/35/60/371013560.db2.gz KSSRBGPYBSLSHD-IMTBSYHQSA-N 0 0 242.662 2.041 10 5 BEBERN Nc1cc([N+](=O)[O-])ccc1-n1cc(Cl)cn1 ZINC000052841576 181691423 /nfs/dbraw/zinc/69/14/23/181691423.db2.gz HPNMTNUNSFOCNC-UHFFFAOYSA-N 0 0 238.634 2.016 10 5 BEBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000603865718 371938388 /nfs/dbraw/zinc/93/83/88/371938388.db2.gz MZLLGXHUFBEYSF-ZYHUDNBSSA-N 0 0 236.271 2.310 10 5 BEBERN O=C1CCCC[C@H]1[C@@H](C[N+](=O)[O-])c1ccco1 ZINC000038327715 372533209 /nfs/dbraw/zinc/53/32/09/372533209.db2.gz MUQGKFUMFIJQGK-VHSXEESVSA-N 0 0 237.255 2.399 10 5 BEBERN CCC1=NCCc2ccc([N+](=O)[O-])cc21 ZINC000039100932 372867420 /nfs/dbraw/zinc/86/74/20/372867420.db2.gz ADOXHCHPMZCZQT-UHFFFAOYSA-N 0 0 204.229 2.350 10 5 BEBERN CC[C@H]([C@H](O)CCc1ccccc1)[N+](=O)[O-] ZINC000144550186 374312271 /nfs/dbraw/zinc/31/22/71/374312271.db2.gz WBXOUMYMGPQEIT-VXGBXAGGSA-N 0 0 223.272 2.035 10 5 BEBERN O=C1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000095748749 182753451 /nfs/dbraw/zinc/75/34/51/182753451.db2.gz BWOPYCCKDQEKNV-VIFPVBQESA-N 0 0 205.213 2.431 10 5 BEBERN O=[N+]([O-])c1ccc(-c2cccc(CO)c2)cn1 ZINC000071792001 182926307 /nfs/dbraw/zinc/92/63/07/182926307.db2.gz QXUQQAHDJRKFRL-UHFFFAOYSA-N 0 0 230.223 2.149 10 5 BEBERN O=[N+]([O-])c1ccc(F)cc1N[C@H]1CCCOC1 ZINC000103965441 182933108 /nfs/dbraw/zinc/93/31/08/182933108.db2.gz XDMSAWRKFRGNCR-VIFPVBQESA-N 0 0 240.234 2.325 10 5 BEBERN O=[N+]([O-])c1cnc(NCCC2CCCC2)nc1 ZINC000040454731 182957818 /nfs/dbraw/zinc/95/78/18/182957818.db2.gz CXWYCTDJTHLEGZ-UHFFFAOYSA-N 0 0 236.275 2.377 10 5 BEBERN O=c1ccc2nccc3c4ccc(O)cc4n1c32 ZINC000014445191 183002652 /nfs/dbraw/zinc/00/26/52/183002652.db2.gz JHPIJMUNSMWWAA-UHFFFAOYSA-N 0 0 236.230 2.144 10 5 biogenic,in-vitro BEBERN O=c1ccc2ncc(O)c3c4ccccc4n1c32 ZINC000014445172 183002721 /nfs/dbraw/zinc/00/27/21/183002721.db2.gz LWYFITNQEPSUDK-UHFFFAOYSA-N 0 0 236.230 2.144 10 5 biogenic BEBERN O=c1ccc2nccc3c4c(cccc4O)n1c32 ZINC000006513306 183002855 /nfs/dbraw/zinc/00/28/55/183002855.db2.gz KXFAUPPCQVBDBN-UHFFFAOYSA-N 0 0 236.230 2.144 10 5 biogenic,in-vitro BEBERN CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000022158552 169296371 /nfs/dbraw/zinc/29/63/71/169296371.db2.gz ZNHCKAQRLMQNSL-UHFFFAOYSA-N 0 0 226.261 2.126 10 5 BEBERN CC[C@H](CCO)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000134438765 384326858 /nfs/dbraw/zinc/32/68/58/384326858.db2.gz JWZNLYOPGOBLQL-SECBINFHSA-N 0 0 242.250 2.307 10 5 BEBERN COc1cc([N+](=O)[O-])cc(OC(F)F)c1F ZINC000575661675 384417490 /nfs/dbraw/zinc/41/74/90/384417490.db2.gz SPWARMDHYYCBOQ-UHFFFAOYSA-N 0 0 237.133 2.344 10 5 BEBERN O=[N+]([O-])c1ccc(NCc2cscn2)nc1 ZINC000050932825 384557979 /nfs/dbraw/zinc/55/79/79/384557979.db2.gz YYXFMLWEXQCLJD-UHFFFAOYSA-N 0 0 236.256 2.058 10 5 BEBERN CC[S@](C)(=O)=Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000536951251 384804742 /nfs/dbraw/zinc/80/47/42/384804742.db2.gz OTIGNMPZHUABLN-INIZCTEOSA-N 0 0 246.263 2.483 10 5 BEBERN Cc1cc([N+](=O)[O-])c(N)cc1OC(F)F ZINC000575720585 384893707 /nfs/dbraw/zinc/89/37/07/384893707.db2.gz ASZLMUBIVFAMET-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN CC(C)[C@H](O)CNc1cccc(F)c1[N+](=O)[O-] ZINC000125175361 384916795 /nfs/dbraw/zinc/91/67/95/384916795.db2.gz VAQQRTYEZDRZID-SNVBAGLBSA-N 0 0 242.250 2.163 10 5 BEBERN Nc1c2cccnc2c2ncccc2c1[N+](=O)[O-] ZINC000059299519 385042328 /nfs/dbraw/zinc/04/23/28/385042328.db2.gz FPDWWTWQUVUMJH-UHFFFAOYSA-N 0 0 240.222 2.273 10 5 BEBERN COc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H]2C)c1 ZINC000085485905 385199559 /nfs/dbraw/zinc/19/95/59/385199559.db2.gz HIURZBLNBGPGPR-CBAPKCEASA-N 0 0 222.244 2.424 10 5 BEBERN O=[N+]([O-])c1ccc(F)cc1NC1CCOCC1 ZINC000052119638 385698853 /nfs/dbraw/zinc/69/88/53/385698853.db2.gz WCFFTODMXDNENW-UHFFFAOYSA-N 0 0 240.234 2.325 10 5 BEBERN C[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000052291503 385721032 /nfs/dbraw/zinc/72/10/32/385721032.db2.gz AZXKVKSFLNSHPM-HZGVNTEJSA-N 0 0 237.215 2.323 10 5 BEBERN C[C@@H]1C[C@@H]1Nc1nc(Cl)ccc1[N+](=O)[O-] ZINC000052297871 385722263 /nfs/dbraw/zinc/72/22/63/385722263.db2.gz XLZUKJHMKWXFCK-RITPCOANSA-N 0 0 227.651 2.464 10 5 BEBERN COc1ccc([N+](=O)[O-])c(Cl)c1F ZINC000299889328 386498596 /nfs/dbraw/zinc/49/85/96/386498596.db2.gz HUXCUFFHXZAZPO-UHFFFAOYSA-N 0 0 205.572 2.396 10 5 BEBERN CCOC(=O)Cc1c(C)cc([N+](=O)[O-])cc1F ZINC000575397282 386997749 /nfs/dbraw/zinc/99/77/49/386997749.db2.gz SSSVDDXRUXFOBU-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOC(=O)Cc1ccc(F)c([N+](=O)[O-])c1C ZINC000575397289 386998353 /nfs/dbraw/zinc/99/83/53/386998353.db2.gz YUELTVAAYJYULF-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOC(=O)Cc1c(C)cc(F)cc1[N+](=O)[O-] ZINC000575397269 386999086 /nfs/dbraw/zinc/99/90/86/386999086.db2.gz IVIYPXUIKFOLMK-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CCOc1c(O)cc([N+](=O)[O-])cc1OC(F)F ZINC000575658919 387047641 /nfs/dbraw/zinc/04/76/41/387047641.db2.gz UAAMLHRFZHSQLD-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN CCc1cc(OC(F)F)c(CO)cc1[N+](=O)[O-] ZINC000575659939 387052468 /nfs/dbraw/zinc/05/24/68/387052468.db2.gz PTEPSXBDIYBBJA-UHFFFAOYSA-N 0 0 247.197 2.251 10 5 BEBERN CCOc1c(OC(F)F)cc(O)cc1[N+](=O)[O-] ZINC000575659747 387052753 /nfs/dbraw/zinc/05/27/53/387052753.db2.gz XWEBKNOZHIIKMD-UHFFFAOYSA-N 0 0 249.169 2.301 10 5 BEBERN O=[N+]([O-])c1cc(OC(F)F)cc(F)c1[O-] ZINC000575661391 387060034 /nfs/dbraw/zinc/06/00/34/387060034.db2.gz OEUUCSCSZBSMJM-UHFFFAOYSA-N 0 0 223.106 2.041 10 5 BEBERN O=Cc1c(F)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575661316 387069551 /nfs/dbraw/zinc/06/95/51/387069551.db2.gz LKJGBSVSRVEQLM-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN [NH3+][C@@H](CCF)c1cc([N+](=O)[O-])ccc1F ZINC000575438504 387131512 /nfs/dbraw/zinc/13/15/12/387131512.db2.gz JQTKRBIUUFHNPM-VIFPVBQESA-N 0 0 216.187 2.093 10 5 BEBERN O=Cc1cc(F)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575662007 387164159 /nfs/dbraw/zinc/16/41/59/387164159.db2.gz ZENSYYVNCBOSSU-UHFFFAOYSA-N 0 0 235.117 2.148 10 5 BEBERN O=[N+]([O-])c1ccc2c(Cl)cnnc2c1 ZINC000224397065 387186453 /nfs/dbraw/zinc/18/64/53/387186453.db2.gz SILAKPARZLLDOW-UHFFFAOYSA-N 0 0 209.592 2.191 10 5 BEBERN Cc1n[nH]c2cc(Cl)cc([N+](=O)[O-])c12 ZINC000575440417 387133341 /nfs/dbraw/zinc/13/33/41/387133341.db2.gz KWTFUQDDUYYCHT-UHFFFAOYSA-N 0 0 211.608 2.433 10 5 BEBERN Cc1cc([N+](=O)[O-])cc(OC(F)F)c1C=O ZINC000575665164 387313375 /nfs/dbraw/zinc/31/33/75/387313375.db2.gz BKXXDPQMLRUALV-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN Cc1c(O)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575665397 387313432 /nfs/dbraw/zinc/31/34/32/387313432.db2.gz DAKWSLMDESHIIY-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN Cc1ccc(OC(F)F)c(C=O)c1[N+](=O)[O-] ZINC000575665499 387313940 /nfs/dbraw/zinc/31/39/40/387313940.db2.gz FLQLHITXFYHOOT-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN Cc1c(OC(F)F)cc(O)cc1[N+](=O)[O-] ZINC000575667324 387317460 /nfs/dbraw/zinc/31/74/60/387317460.db2.gz MFXYZSMXULPWSC-UHFFFAOYSA-N 0 0 219.143 2.210 10 5 BEBERN COc1c(OC(F)F)cc(C=O)cc1[N+](=O)[O-] ZINC000575664107 387289379 /nfs/dbraw/zinc/28/93/79/387289379.db2.gz BWPBBCAJVDQAOE-UHFFFAOYSA-N 0 0 247.153 2.017 10 5 BEBERN Cc1ccc([N+](=O)[O-])c(C=O)c1OC(F)F ZINC000575668200 387325602 /nfs/dbraw/zinc/32/56/02/387325602.db2.gz RYTRJFZTGSRFHP-UHFFFAOYSA-N 0 0 231.154 2.317 10 5 BEBERN COc1cc(C(F)F)cc(C=O)c1[N+](=O)[O-] ZINC000575670738 387334364 /nfs/dbraw/zinc/33/43/64/387334364.db2.gz AWAJKCDHBLLSFU-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN COc1cc(C(F)F)cc([N+](=O)[O-])c1CO ZINC000575671999 387342659 /nfs/dbraw/zinc/34/26/59/387342659.db2.gz PVZWCTYHILBZNY-UHFFFAOYSA-N 0 0 233.170 2.033 10 5 BEBERN COc1cc(C(F)F)c(C=O)cc1[N+](=O)[O-] ZINC000575672059 387343272 /nfs/dbraw/zinc/34/32/72/387343272.db2.gz YVHATROWTFDFEO-UHFFFAOYSA-N 0 0 231.154 2.354 10 5 BEBERN CC(=O)c1cc(Cl)cc(N)c1[N+](=O)[O-] ZINC000575716089 387431604 /nfs/dbraw/zinc/43/16/04/387431604.db2.gz JDXDIVHGAXUABZ-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N ZINC000575716245 387432154 /nfs/dbraw/zinc/43/21/54/387432154.db2.gz OWCAHSKLTBATNQ-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN CC(=O)c1ccc(N)c([N+](=O)[O-])c1Cl ZINC000575716131 387432211 /nfs/dbraw/zinc/43/22/11/387432211.db2.gz LPJAGOJFEKCRRT-UHFFFAOYSA-N 0 0 214.608 2.033 10 5 BEBERN Cc1cc([N+](=O)[O-])c(OC(F)F)cc1N ZINC000575720459 387441336 /nfs/dbraw/zinc/44/13/36/387441336.db2.gz AACZUTQJRRSSII-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Nc1ccc([N+](=O)[O-])c(OC(F)F)c1Cl ZINC000575722016 387444117 /nfs/dbraw/zinc/44/41/17/387444117.db2.gz CFZXHXIDNMZNAM-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN Cc1c(N)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575721579 387444153 /nfs/dbraw/zinc/44/41/53/387444153.db2.gz SMHMOMDPPZOQEX-UHFFFAOYSA-N 0 0 218.159 2.087 10 5 BEBERN Nc1c(Cl)ccc([N+](=O)[O-])c1OC(F)F ZINC000575722497 387446617 /nfs/dbraw/zinc/44/66/17/387446617.db2.gz MQCOPRYRMOVOHJ-UHFFFAOYSA-N 0 0 238.577 2.432 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(CC)cc1C=O ZINC000575697596 387392706 /nfs/dbraw/zinc/39/27/06/387392706.db2.gz ZXQXRXIJRMBYFU-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CCOc1cc(F)c([N+](=O)[O-])c(OC)c1 ZINC000575695813 387395300 /nfs/dbraw/zinc/39/53/00/387395300.db2.gz GMPADORPFFMITJ-UHFFFAOYSA-N 0 0 215.180 2.141 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(C=O)cc1CC ZINC000575695546 387395452 /nfs/dbraw/zinc/39/54/52/387395452.db2.gz KGVRIUQJQGLQLA-UHFFFAOYSA-N 0 0 223.228 2.368 10 5 BEBERN CCOc1c(O)cc([N+](=O)[O-])cc1CC ZINC000575695508 387396276 /nfs/dbraw/zinc/39/62/76/387396276.db2.gz JNHBZVWNKQFNPT-UHFFFAOYSA-N 0 0 211.217 2.262 10 5 BEBERN CCOc1cc(CC)cc([N+](=O)[O-])c1CO ZINC000575696383 387397849 /nfs/dbraw/zinc/39/78/49/387397849.db2.gz MWODELQQXRTOGR-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN CCOc1cc(C)c([N+](=O)[O-])c(OC)c1 ZINC000575698692 387398850 /nfs/dbraw/zinc/39/88/50/387398850.db2.gz DZJUBLCLTYKWLS-UHFFFAOYSA-N 0 0 211.217 2.311 10 5 BEBERN CCOc1cc([N+](=O)[O-])c(CO)cc1CC ZINC000575697160 387399423 /nfs/dbraw/zinc/39/94/23/387399423.db2.gz VROPZZHMHPBYRV-UHFFFAOYSA-N 0 0 225.244 2.048 10 5 BEBERN CCOc1cc([N+](=O)[O-])cc(OC)c1C ZINC000575699742 387403488 /nfs/dbraw/zinc/40/34/88/387403488.db2.gz WNNRSNPQOAXGSK-UHFFFAOYSA-N 0 0 211.217 2.311 10 5 BEBERN CCOC(=O)c1c(O)cc([N+](=O)[O-])cc1Cl ZINC000575701314 387404663 /nfs/dbraw/zinc/40/46/63/387404663.db2.gz VLXYKESCYUNOMI-UHFFFAOYSA-N 0 0 245.618 2.131 10 5 BEBERN CCOC(=O)c1cc(Cl)c([N+](=O)[O-])cc1O ZINC000575701012 387405407 /nfs/dbraw/zinc/40/54/07/387405407.db2.gz PQBLEDZPGWQLAG-UHFFFAOYSA-N 0 0 245.618 2.131 10 5 BEBERN COc1cc([N+](=O)[O-])c(F)cc1SC ZINC000575707797 387411689 /nfs/dbraw/zinc/41/16/89/387411689.db2.gz GBQDMRXNUANLQX-UHFFFAOYSA-N 0 0 217.221 2.464 10 5 BEBERN CSc1cc(F)c(C=O)c([N+](=O)[O-])c1 ZINC000575710084 387413397 /nfs/dbraw/zinc/41/33/97/387413397.db2.gz PCNQUNSOFCAVLZ-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN CSc1cc([N+](=O)[O-])c(C=O)cc1F ZINC000575710722 387414903 /nfs/dbraw/zinc/41/49/03/387414903.db2.gz VDEKURDYVOLCLT-UHFFFAOYSA-N 0 0 215.205 2.268 10 5 BEBERN COC(=O)Cc1c(Cl)ccc([N+](=O)[O-])c1F ZINC000575712586 387416435 /nfs/dbraw/zinc/41/64/35/387416435.db2.gz LJGSUQIOMMJODY-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COC(=O)c1c(F)ccc(Cl)c1[N+](=O)[O-] ZINC000575713360 387416577 /nfs/dbraw/zinc/41/65/77/387416577.db2.gz YUKKCYPRANQGQT-UHFFFAOYSA-N 0 0 233.582 2.174 10 5 BEBERN COC(=O)Cc1c(Cl)cc(F)cc1[N+](=O)[O-] ZINC000575712608 387416866 /nfs/dbraw/zinc/41/68/66/387416866.db2.gz MWEFMRIKMHWIFM-UHFFFAOYSA-N 0 0 247.609 2.103 10 5 BEBERN COc1c(C=O)c(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000575728612 387466132 /nfs/dbraw/zinc/46/61/32/387466132.db2.gz FEZLHJQBUFFYCX-UHFFFAOYSA-N 0 0 249.144 2.435 10 5 BEBERN CNc1ccc2scnc2c1[N+](=O)[O-] ZINC000035344531 387594092 /nfs/dbraw/zinc/59/40/92/387594092.db2.gz ZDVNLOYSCDNUOD-UHFFFAOYSA-N 0 0 209.230 2.246 10 5 BEBERN COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1F ZINC000035333547 387571478 /nfs/dbraw/zinc/57/14/78/387571478.db2.gz HZXZBFRZKGKBFX-UHFFFAOYSA-N 0 0 233.582 2.174 10 5 BEBERN Cc1nc(-c2ccccc2[N+](=O)[O-])n(O)c1C ZINC000039321223 387572727 /nfs/dbraw/zinc/57/27/27/387572727.db2.gz WAMQQEYHRWCXAQ-UHFFFAOYSA-N 0 0 233.227 2.312 10 5 BEBERN C[C@H](NCc1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC000038005532 387736606 /nfs/dbraw/zinc/73/66/06/387736606.db2.gz SBEMJZJCJAUYFG-VIFPVBQESA-N 0 0 246.270 2.169 10 5 BEBERN Cc1cc(C(=O)N[C@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000075522316 387764499 /nfs/dbraw/zinc/76/44/99/387764499.db2.gz IJHJODLNKPQFEE-XCBNKYQSSA-N 0 0 234.255 2.041 10 5 BEBERN Cc1cnc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000238536442 387872611 /nfs/dbraw/zinc/87/26/11/387872611.db2.gz KHRJHTHTIAGJLH-UHFFFAOYSA-N 0 0 222.122 2.197 10 5 BEBERN COc1cc(OC(F)F)cc([N+](=O)[O-])c1OC ZINC000575653145 387894524 /nfs/dbraw/zinc/89/45/24/387894524.db2.gz XYMVFLHFSGDCCZ-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN COc1cc([N+](=O)[O-])c(OC)cc1OC(F)F ZINC000575652647 387902244 /nfs/dbraw/zinc/90/22/44/387902244.db2.gz JLRAGOWVEROWTM-UHFFFAOYSA-N 0 0 249.169 2.213 10 5 BEBERN O=[N+]([O-])c1ccccc1NCCCc1cc[nH]n1 ZINC000302751406 388345058 /nfs/dbraw/zinc/34/50/58/388345058.db2.gz HEPYTYBRNMHPCC-UHFFFAOYSA-N 0 0 246.270 2.363 10 5 BEBERN C[C@@H]1C[C@@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771886 388376556 /nfs/dbraw/zinc/37/65/56/388376556.db2.gz ZMLYICSEZOJNBW-MUWHJKNJSA-N 0 0 232.243 2.291 10 5 BEBERN Cn1cc(Oc2ccc([N+](=O)[O-])cc2)cn1 ZINC000302289068 388605991 /nfs/dbraw/zinc/60/59/91/388605991.db2.gz KTMHMRFMOQWPNM-UHFFFAOYSA-N 0 0 219.200 2.121 10 5 BEBERN CCOC(=O)Cc1cc(F)c([N+](=O)[O-])cc1C ZINC000575397288 388615268 /nfs/dbraw/zinc/61/52/68/388615268.db2.gz YHKAHJZCIMKKPB-UHFFFAOYSA-N 0 0 241.218 2.148 10 5 BEBERN CS[C@@H](C)CNc1ccncc1[N+](=O)[O-] ZINC000122645224 388809401 /nfs/dbraw/zinc/80/94/01/388809401.db2.gz KPZNMKHDHRYZFL-ZETCQYMHSA-N 0 0 227.289 2.153 10 5 BEBERN CC1CC(Nc2ccncc2[N+](=O)[O-])C1 ZINC000128896521 168147851 /nfs/dbraw/zinc/14/78/51/168147851.db2.gz DOZRCAOYDBMCHJ-UHFFFAOYSA-N 0 0 207.233 2.200 10 5 BEBERN CCC(=O)N1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000103377575 168227408 /nfs/dbraw/zinc/22/74/08/168227408.db2.gz MUIMGXRJGRZLTL-QMMMGPOBSA-N 0 0 234.255 2.282 10 5 BEBERN CCC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000005711091 168257210 /nfs/dbraw/zinc/25/72/10/168257210.db2.gz GAKLIGGBVJLZPU-UHFFFAOYSA-N 0 0 209.201 2.196 10 5 BEBERN CCNc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000053750291 170175475 /nfs/dbraw/zinc/17/54/75/170175475.db2.gz TXPSDDDOERIOLH-UHFFFAOYSA-N 0 0 234.215 2.077 10 5 BEBERN CCNc1ncnc(N[C@H](C)CC)c1[N+](=O)[O-] ZINC000040596597 170178104 /nfs/dbraw/zinc/17/81/04/170178104.db2.gz DKPLIPBXCVPCPC-SSDOTTSWSA-N 0 0 239.279 2.027 10 5 BEBERN CCNc1ncnc(NC(C)(C)C)c1[N+](=O)[O-] ZINC000040581533 170178165 /nfs/dbraw/zinc/17/81/65/170178165.db2.gz FAUUMTRTLIAZLV-UHFFFAOYSA-N 0 0 239.279 2.027 10 5 BEBERN CCOC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000159876617 170293293 /nfs/dbraw/zinc/29/32/93/170293293.db2.gz ZNCRIBKOEOYAFB-UHFFFAOYSA-N 0 0 227.191 2.219 10 5 BEBERN CCOC[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000044416375 170448573 /nfs/dbraw/zinc/44/85/73/170448573.db2.gz ZFAIWGNOEGAERB-VIFPVBQESA-N 0 0 224.260 2.432 10 5 BEBERN CC[C@@H]1Cc2ccc([N+](=O)[O-])cc2C[N@@H+]1C ZINC000039102193 171143324 /nfs/dbraw/zinc/14/33/24/171143324.db2.gz GGWNUJMLWVRXCM-LLVKDONJSA-N 0 0 220.272 2.361 10 5 BEBERN CC[C@H](C)C(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000133042489 171246465 /nfs/dbraw/zinc/24/64/65/171246465.db2.gz YWZZGDAIFWQTCZ-ZETCQYMHSA-N 0 0 239.275 2.023 10 5 BEBERN CC[C@H](C)N(C)c1ccc(CO)cc1[N+](=O)[O-] ZINC000037110583 171309881 /nfs/dbraw/zinc/30/98/81/171309881.db2.gz OSSXWFXUTHGINI-VIFPVBQESA-N 0 0 238.287 2.322 10 5 BEBERN CCc1nc2c3cccnc3ccc2c(=O)o1 ZINC000039102667 172009400 /nfs/dbraw/zinc/00/94/00/172009400.db2.gz CABIGGQAYLSRFS-UHFFFAOYSA-N 0 0 226.235 2.299 10 5 BEBERN CCc1ncc(OC2CC2)cc1[N+](=O)[O-] ZINC000095723686 172024034 /nfs/dbraw/zinc/02/40/34/172024034.db2.gz FNNSCOIEEAJKFP-UHFFFAOYSA-N 0 0 208.217 2.093 10 5 BEBERN CN(C)c1cccc(OC2CC2)c1[N+](=O)[O-] ZINC000095722442 172568588 /nfs/dbraw/zinc/56/85/88/172568588.db2.gz YXWMAXCEOIVGLI-UHFFFAOYSA-N 0 0 222.244 2.202 10 5 BEBERN CN(C)c1cccc([N+](=O)[O-])c1OC1CC1 ZINC000095713717 172569991 /nfs/dbraw/zinc/56/99/91/172569991.db2.gz ADXBQEPXHYSHCG-UHFFFAOYSA-N 0 0 222.244 2.202 10 5 BEBERN COC[C@H](C)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000052119145 174552943 /nfs/dbraw/zinc/55/29/43/174552943.db2.gz JIIKKJSGCVQGLU-ZETCQYMHSA-N 0 0 228.223 2.181 10 5 BEBERN COc1cc(N[C@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000082523546 175004857 /nfs/dbraw/zinc/00/48/57/175004857.db2.gz NHIJZQKDIICWHQ-APPZFPTMSA-N 0 0 222.244 2.424 10 5 BEBERN COc1cccc2c1[nH]c1cc(N)ccc1c2=O ZINC000082305637 175298109 /nfs/dbraw/zinc/29/81/09/175298109.db2.gz AMKCMHCQWADAHK-UHFFFAOYSA-N 0 0 240.262 2.272 10 5 BEBERN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2N)C1 ZINC000052840756 176181538 /nfs/dbraw/zinc/18/15/38/176181538.db2.gz KSJYJZRMKXLZRG-MRVPVSSYSA-N 0 0 221.260 2.023 10 5 BEBERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000170793496 176401661 /nfs/dbraw/zinc/40/16/61/176401661.db2.gz ZLTGVKIRMYYIQG-XCBNKYQSSA-N 0 0 235.243 2.125 10 5 BEBERN C[C@@H]1C[C@H]1Nc1nc2sccn2c1[N+](=O)[O-] ZINC000052291122 176447295 /nfs/dbraw/zinc/44/72/95/176447295.db2.gz BCJMDCZIJJTWRM-PHDIDXHHSA-N 0 0 238.272 2.124 10 5 BEBERN C[C@@H](Oc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)O ZINC000087139194 177005731 /nfs/dbraw/zinc/00/57/31/177005731.db2.gz JEWORZQXRVBSNY-NKWVEPMBSA-N 0 0 245.662 2.396 10 5 BEBERN C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1N ZINC000052840732 177111823 /nfs/dbraw/zinc/11/18/23/177111823.db2.gz FVGADYGIFYQENO-QMMMGPOBSA-N 0 0 221.260 2.166 10 5 BEBERN C[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1CO ZINC000037911397 177112290 /nfs/dbraw/zinc/11/22/90/177112290.db2.gz NOMHIWWULOZBBO-VIFPVBQESA-N 0 0 236.271 2.076 10 5 BEBERN CNc1nccc(Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000147886212 488066071 /nfs/dbraw/zinc/06/60/71/488066071.db2.gz ZCJUBZJVAMYDJZ-UHFFFAOYSA-N 0 0 246.226 2.219 10 5 BEBERN C[C@@]1(F)CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408463453 487554336 /nfs/dbraw/zinc/55/43/36/487554336.db2.gz BURNKWNQUDMHDR-SNVBAGLBSA-N 0 0 243.213 2.067 10 5 BEBERN Cc1cc2nc(N)ccc2c(C)c1[N+](=O)[O-] ZINC000057348910 525677135 /nfs/dbraw/zinc/67/71/35/525677135.db2.gz CJNYNTSKRZDPEF-UHFFFAOYSA-N 0 0 217.228 2.342 10 5 BEBERN Cc1cc([N+](=O)[O-])ccc1C(=O)OCC1CC1 ZINC000103332339 585095142 /nfs/dbraw/zinc/09/51/42/585095142.db2.gz MUTJEYQJCMGQPK-UHFFFAOYSA-N 0 0 235.239 2.470 10 5 BEBERN CCn1nc(Cl)c([N+](=O)[O-])c1C(F)(F)F ZINC000757569001 586462206 /nfs/dbraw/zinc/46/22/06/586462206.db2.gz RSMXUYBPJLPKFS-UHFFFAOYSA-N 0 0 243.572 2.483 10 5 BEBERN COC1CC(Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000230592184 632818481 /nfs/dbraw/zinc/81/84/81/632818481.db2.gz HNOKCSJIOSRUIX-UHFFFAOYSA-N 0 0 240.234 2.323 10 5 BEBERN C[C@@H](O)[C@@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000309982397 634025520 /nfs/dbraw/zinc/02/55/20/634025520.db2.gz WTIQANNHWWTNHC-RNFRBKRXSA-N 0 0 244.678 2.429 10 5 BEBERN C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)O ZINC000309982398 634025758 /nfs/dbraw/zinc/02/57/58/634025758.db2.gz WTIQANNHWWTNHC-RQJHMYQMSA-N 0 0 244.678 2.429 10 5 BEBERN CCCc1cn2cc([N+](=O)[O-])ccc2n1 ZINC000059613136 640821375 /nfs/dbraw/zinc/82/13/75/640821375.db2.gz GXOIIKQQOYTUFR-UHFFFAOYSA-N 0 0 205.217 2.195 10 5 BEBERN