smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000754079496 712406061 /nfs/dbraw/zinc/40/60/61/712406061.db2.gz JDSDMGDCEMFGTJ-NSHDSACASA-N 0 3 249.314 2.125 20 5 BEBDHN O=[N+]([O-])c1cccc(CNCCC(F)F)c1 ZINC000309384288 1167297702 /nfs/dbraw/zinc/29/77/02/1167297702.db2.gz RXLGPBMZCFZJLF-UHFFFAOYSA-N 0 3 230.214 2.340 20 5 BEBDHN Cc1cnccc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174475523 976793193 /nfs/dbraw/zinc/79/31/93/976793193.db2.gz HXDNLNRKMDRUQA-UHFFFAOYSA-N 0 3 229.239 2.464 20 5 BEBDHN Cc1cc(NC2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000035056266 178155361 /nfs/dbraw/zinc/15/53/61/178155361.db2.gz LYTDNADVCRHSDE-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN CC[C@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163922451 398327037 /nfs/dbraw/zinc/32/70/37/398327037.db2.gz NQLKSZNGIZUAAF-SKDRFNHKSA-N 0 3 238.287 2.016 20 5 BEBDHN CN1CC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000309475147 347070715 /nfs/dbraw/zinc/07/07/15/347070715.db2.gz RPWITYFKXUHXCM-MRVPVSSYSA-N 0 3 241.316 2.020 20 5 BEBDHN COCCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152119489 323127969 /nfs/dbraw/zinc/12/79/69/323127969.db2.gz CAQUVNNAXUHUTK-SNVBAGLBSA-N 0 3 238.287 2.200 20 5 BEBDHN Cc1cccc([N+](=O)[O-])c1NCCN1CCCC1 ZINC000112208944 179206806 /nfs/dbraw/zinc/20/68/06/179206806.db2.gz ROYBSPUCVSFPMM-UHFFFAOYSA-N 0 3 249.314 2.411 20 5 BEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H]2C[C@@H]2C1 ZINC000595808332 348349090 /nfs/dbraw/zinc/34/90/90/348349090.db2.gz CSLJSNPBMVMQHQ-ZYHUDNBSSA-N 0 3 232.283 2.437 20 5 BEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000052128190 323192600 /nfs/dbraw/zinc/19/26/00/323192600.db2.gz RAMYEUDWXFNWGJ-UHFFFAOYSA-N 0 3 220.272 2.437 20 5 BEBDHN CCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000052637832 323194156 /nfs/dbraw/zinc/19/41/56/323194156.db2.gz QRTOOXWQACZHBK-UHFFFAOYSA-N 0 3 208.261 2.437 20 5 BEBDHN CN(Cc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000052128171 350956743 /nfs/dbraw/zinc/95/67/43/350956743.db2.gz FLFAJSMMXXHJJK-UHFFFAOYSA-N 0 3 220.272 2.437 20 5 BEBDHN C/C=C/CNCc1ccc([N+](=O)[O-])cc1 ZINC000232464737 352716895 /nfs/dbraw/zinc/71/68/95/352716895.db2.gz IWQZXUMUOFCDAY-NSCUHMNNSA-N 0 3 206.245 2.261 20 5 BEBDHN CC[C@H](NC[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601423 358002590 /nfs/dbraw/zinc/00/25/90/358002590.db2.gz YJMQFGOWDXPWOH-SKDRFNHKSA-N 0 3 238.287 2.016 20 5 BEBDHN CN1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000309949549 370277707 /nfs/dbraw/zinc/27/77/07/370277707.db2.gz FNKOJQAEDHSIAL-UHFFFAOYSA-N 0 3 241.316 2.162 20 5 BEBDHN O=[N+]([O-])c1ccc(CNC2CC=CC2)cc1 ZINC000125249713 371309326 /nfs/dbraw/zinc/30/93/26/371309326.db2.gz HHACPIFMSATYIL-UHFFFAOYSA-N 0 3 218.256 2.403 20 5 BEBDHN COc1ccc(CNC2CC=CC2)cc1[N+](=O)[O-] ZINC000125262788 371310339 /nfs/dbraw/zinc/31/03/39/371310339.db2.gz UCJGYUKRTGGJIB-UHFFFAOYSA-N 0 3 248.282 2.412 20 5 BEBDHN O=[N+]([O-])c1ccccc1N[C@H]1CN2CCC1CC2 ZINC000021818942 371496652 /nfs/dbraw/zinc/49/66/52/371496652.db2.gz OQALBAQZJPXPDH-LBPRGKRZSA-N 0 3 247.298 2.101 20 5 BEBDHN O=[N+]([O-])c1cc(CNC2CC=CC2)cs1 ZINC000131185795 371567222 /nfs/dbraw/zinc/56/72/22/371567222.db2.gz FGAOHXARSBNFFZ-UHFFFAOYSA-N 0 3 224.285 2.465 20 5 BEBDHN O=[N+]([O-])c1ccccc1CNC1CC=CC1 ZINC000132540043 371856611 /nfs/dbraw/zinc/85/66/11/371856611.db2.gz CUVMZWIUOBNKNF-UHFFFAOYSA-N 0 3 218.256 2.403 20 5 BEBDHN O=[N+]([O-])c1ccc(CNC[C@@H]2CCC=CO2)cc1 ZINC000050269148 383986704 /nfs/dbraw/zinc/98/67/04/383986704.db2.gz QBRDJNGDHMAGGZ-ZDUSSCGKSA-N 0 3 248.282 2.377 20 5 BEBDHN C[C@@H](CNc1c(F)cccc1[N+](=O)[O-])N(C)C ZINC000286323136 384271492 /nfs/dbraw/zinc/27/14/92/384271492.db2.gz ZVHDGHYGGIUDDU-QMMMGPOBSA-N 0 3 241.266 2.096 20 5 BEBDHN CC[C@@H](CNCc1ccc([N+](=O)[O-])cc1)OC ZINC000289807645 384475929 /nfs/dbraw/zinc/47/59/29/384475929.db2.gz MQUADALYZSKYPY-LBPRGKRZSA-N 0 3 238.287 2.109 20 5 BEBDHN C[C@@H](N[C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000098005653 384458122 /nfs/dbraw/zinc/45/81/22/384458122.db2.gz MZPQHGRQDJKGOM-VHSXEESVSA-N 0 3 238.287 2.016 20 5 BEBDHN Cc1ccc(NCCN(C)C2CC2)c([N+](=O)[O-])c1 ZINC000062010352 385023727 /nfs/dbraw/zinc/02/37/27/385023727.db2.gz UUMLGFMNTIWROW-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN O=[N+]([O-])c1cccc(CNC2CCC2)c1 ZINC000052207608 385244668 /nfs/dbraw/zinc/24/46/68/385244668.db2.gz XDBLKBJMDMSUND-UHFFFAOYSA-N 0 3 206.245 2.237 20 5 BEBDHN Cc1ccc(CN[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000052273906 385715511 /nfs/dbraw/zinc/71/55/11/385715511.db2.gz GBFDEEYIOSVEOQ-MWLCHTKSSA-N 0 3 220.272 2.401 20 5 BEBDHN Cc1ccc(NCC2(N(C)C)CC2)c([N+](=O)[O-])c1 ZINC000397990691 385728992 /nfs/dbraw/zinc/72/89/92/385728992.db2.gz WUYGFTJZUKYSAF-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN C[C@@H](O)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000085984302 386696109 /nfs/dbraw/zinc/69/61/09/386696109.db2.gz WOSBGXSEVOKQGP-NXEZZACHSA-N 0 3 238.287 2.016 20 5 BEBDHN CC[C@@H](NC[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601424 387374282 /nfs/dbraw/zinc/37/42/82/387374282.db2.gz YJMQFGOWDXPWOH-BXKDBHETSA-N 0 3 238.287 2.016 20 5 BEBDHN C[C@@H](NC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037176685 388191473 /nfs/dbraw/zinc/19/14/73/388191473.db2.gz SAQAFMNVVVEYOV-MRVPVSSYSA-N 0 3 206.245 2.408 20 5 BEBDHN CO[C@H](C)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000227986208 388375069 /nfs/dbraw/zinc/37/50/69/388375069.db2.gz OLFNUDSMCRXGOJ-NXEZZACHSA-N 0 3 238.287 2.280 20 5 BEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CC12CC2 ZINC000418099631 388675154 /nfs/dbraw/zinc/67/51/54/388675154.db2.gz QCVVIWWNOAYIGA-NSHDSACASA-N 0 3 232.283 2.485 20 5 BEBDHN CC[C@@H](COC)NCc1ccc([N+](=O)[O-])cc1 ZINC000079712481 388698014 /nfs/dbraw/zinc/69/80/14/388698014.db2.gz JEJNANXGBDJVKP-NSHDSACASA-N 0 3 238.287 2.109 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)NC[C@@H]2C)c1 ZINC000094663369 132239055 /nfs/dbraw/zinc/23/90/55/132239055.db2.gz NUQQWHFRSANZIK-QWRGUYRKSA-N 0 3 249.314 2.090 20 5 BEBDHN CN(C)CCSc1c(F)cccc1[N+](=O)[O-] ZINC000342555787 135288282 /nfs/dbraw/zinc/28/82/82/135288282.db2.gz WHACORCQRPUYEV-UHFFFAOYSA-N 0 3 244.291 2.388 20 5 BEBDHN CC(C)CNCc1csc([N+](=O)[O-])c1 ZINC000037472312 167010057 /nfs/dbraw/zinc/01/00/57/167010057.db2.gz NAHMTYVIZVOHLS-UHFFFAOYSA-N 0 3 214.290 2.402 20 5 BEBDHN CN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000044563075 173006060 /nfs/dbraw/zinc/00/60/60/173006060.db2.gz FMIFRSSJOYPLNX-CYBMUJFWSA-N 0 3 249.314 2.491 20 5 BEBDHN COCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292112002 174330044 /nfs/dbraw/zinc/33/00/44/174330044.db2.gz JDTHSIOYYHOOAW-UHFFFAOYSA-N 0 3 238.287 2.066 20 5 BEBDHN CSCCCNCc1ccccc1[N+](=O)[O-] ZINC000048068923 175486846 /nfs/dbraw/zinc/48/68/46/175486846.db2.gz NFYDBVIEVHEJHX-UHFFFAOYSA-N 0 3 240.328 2.438 20 5 BEBDHN C[C@H](F)CCNCc1ccccc1[N+](=O)[O-] ZINC000339482855 176740551 /nfs/dbraw/zinc/74/05/51/176740551.db2.gz JWYZGTOMPCUBNH-VIFPVBQESA-N 0 3 226.251 2.433 20 5 BEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CC23CC3)cc1 ZINC000566095053 322956855 /nfs/dbraw/zinc/95/68/55/322956855.db2.gz AMNYEEMSTLXWIT-LLVKDONJSA-N 0 3 218.256 2.237 20 5 BEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397863163 323099162 /nfs/dbraw/zinc/09/91/62/323099162.db2.gz FYEWQQXROUSMEI-ZSBIGDGJSA-N 0 3 232.283 2.483 20 5 BEBDHN C/C(=C/C(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813104620 582580767 /nfs/dbraw/zinc/58/07/67/582580767.db2.gz FKPYAWCOOQZOSF-XZLDQRQTSA-N 0 3 229.276 2.187 20 5 BEBDHN CCCCS[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106239 582581348 /nfs/dbraw/zinc/58/13/48/582581348.db2.gz BEYPOTIPZOGRID-RKDXNWHRSA-N 0 3 249.332 2.117 20 5 BEBDHN CC[C@H](CC(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813108267 582586457 /nfs/dbraw/zinc/58/64/57/582586457.db2.gz XBWWUVJWXWEGPW-NXEZZACHSA-N 0 3 231.292 2.267 20 5 BEBDHN CC[C@H]1CC[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813111895 582588979 /nfs/dbraw/zinc/58/89/79/582588979.db2.gz XQVXNVSVCZHKTD-GMTAPVOTSA-N 0 3 243.303 2.411 20 5 BEBDHN CC[C@@H]1CCC[C@]1(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000893048765 583038046 /nfs/dbraw/zinc/03/80/46/583038046.db2.gz YCVGJCXONVMFCD-FOGDFJRCSA-N 0 3 243.303 2.411 20 5 BEBDHN Cc1ccc(C[C@H]2CCCN2CC[N+](=O)[O-])cc1 ZINC000791053003 583385432 /nfs/dbraw/zinc/38/54/32/583385432.db2.gz RLDMPECOHVSBNG-CQSZACIVSA-N 0 3 248.326 2.279 20 5 BEBDHN CCNCc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901393821 584437880 /nfs/dbraw/zinc/43/78/80/584437880.db2.gz DSCCMWVVWBRUPA-UHFFFAOYSA-N 0 3 247.254 2.359 20 5 BEBDHN Cc1c(CN2CC[C@H]3C[C@H]32)cccc1[N+](=O)[O-] ZINC000761100131 585409029 /nfs/dbraw/zinc/40/90/29/585409029.db2.gz YCACJMFDMUPPSD-GXFFZTMASA-N 0 3 232.283 2.497 20 5 BEBDHN Cc1c(CN2CC[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC000761100133 585409094 /nfs/dbraw/zinc/40/90/94/585409094.db2.gz YCACJMFDMUPPSD-MFKMUULPSA-N 0 3 232.283 2.497 20 5 BEBDHN C[C@@H]1[C@H](C)N(C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000774536809 585660931 /nfs/dbraw/zinc/66/09/31/585660931.db2.gz MPLOWHRSQOOCON-WDEREUQCSA-N 0 3 249.314 2.124 20 5 BEBDHN C[C@@H]1[C@@H](C)N(c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000774536801 585661045 /nfs/dbraw/zinc/66/10/45/585661045.db2.gz MPLOWHRSQOOCON-GHMZBOCLSA-N 0 3 249.314 2.124 20 5 BEBDHN CC(C)(C)[C@H]1CCCN(CC[N+](=O)[O-])CC1 ZINC000791052112 585972914 /nfs/dbraw/zinc/97/29/14/585972914.db2.gz LKVQYAPHGLOCON-NSHDSACASA-N 0 3 228.336 2.411 20 5 BEBDHN CC(COC(=O)C1CCCCCC1)[N+](=O)[O-] ZINC000813103078 586592079 /nfs/dbraw/zinc/59/20/79/586592079.db2.gz MYKSMTGMMBTFPM-VIFPVBQESA-N 0 3 229.276 2.165 20 5 BEBDHN CCC(CC)[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102616 586592091 /nfs/dbraw/zinc/59/20/91/586592091.db2.gz TVWBEMGCTRMGRD-BDAKNGLRSA-N 0 3 231.292 2.267 20 5 BEBDHN CC(COC(=O)[C@H]1CCC(C)(C)C1)[N+](=O)[O-] ZINC000813104612 586592406 /nfs/dbraw/zinc/59/24/06/586592406.db2.gz FKKQYMIVDCCCPS-BDAKNGLRSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)[C@@H]1CCC(C)(C)C1)[N+](=O)[O-] ZINC000813104615 586592512 /nfs/dbraw/zinc/59/25/12/586592512.db2.gz FKKQYMIVDCCCPS-RKDXNWHRSA-N 0 3 229.276 2.021 20 5 BEBDHN CCCC[C@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105096 586592613 /nfs/dbraw/zinc/59/26/13/586592613.db2.gz JNTYPZWUCGODCR-ZJUUUORDSA-N 0 3 231.292 2.411 20 5 BEBDHN CC(COC(=O)[C@@H](C)CC1CCCC1)[N+](=O)[O-] ZINC000813107696 586592838 /nfs/dbraw/zinc/59/28/38/586592838.db2.gz ULSIZBNEBOMKOZ-VHSXEESVSA-N 0 3 243.303 2.411 20 5 BEBDHN CCC[C@](C)(CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107135 586592971 /nfs/dbraw/zinc/59/29/71/586592971.db2.gz KEKAWHLYNBQWMJ-ONGXEEELSA-N 0 3 231.292 2.411 20 5 BEBDHN CCC[C@@](C)(CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107134 586592985 /nfs/dbraw/zinc/59/29/85/586592985.db2.gz KEKAWHLYNBQWMJ-MWLCHTKSSA-N 0 3 231.292 2.411 20 5 BEBDHN CC(C)CC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813109962 586593155 /nfs/dbraw/zinc/59/31/55/586593155.db2.gz QPOGHPDZNGZURJ-VIFPVBQESA-N 0 3 231.292 2.267 20 5 BEBDHN CC(C)CC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813111414 586593625 /nfs/dbraw/zinc/59/36/25/586593625.db2.gz GVLLFZWAOSEDAA-JTQLQIEISA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)[C@@H](C)CC(C)(C)C)[N+](=O)[O-] ZINC000813111943 586593699 /nfs/dbraw/zinc/59/36/99/586593699.db2.gz XYTYHJYJNYMKTP-IUCAKERBSA-N 0 3 231.292 2.267 20 5 BEBDHN CC(COC(=O)C1=CCCCCC1)[N+](=O)[O-] ZINC000813114044 586594077 /nfs/dbraw/zinc/59/40/77/586594077.db2.gz YAPAQVJSEDOGBB-SECBINFHSA-N 0 3 227.260 2.085 20 5 BEBDHN CC(COC(=O)C[C@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000813115209 586594282 /nfs/dbraw/zinc/59/42/82/586594282.db2.gz MVYVNMRIJHDVDP-OUAUKWLOSA-N 0 3 243.303 2.411 20 5 BEBDHN CC[C@@H]1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000835453833 587802780 /nfs/dbraw/zinc/80/27/80/587802780.db2.gz HEWDZBUMJFEREX-AEJSXWLSSA-N 0 3 229.276 2.021 20 5 BEBDHN CCC[C@@H]1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000835454423 587803000 /nfs/dbraw/zinc/80/30/00/587803000.db2.gz JMICDMDZGMKDIW-MXWKQRLJSA-N 0 3 243.303 2.411 20 5 BEBDHN CC1=C(C)C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000842801974 588064883 /nfs/dbraw/zinc/06/48/83/588064883.db2.gz OEJFELQLGCEVLV-WDEREUQCSA-N 0 3 241.287 2.331 20 5 BEBDHN CC(COC(=O)c1ccc(C2CC2)cc1)[N+](=O)[O-] ZINC000851036374 588585587 /nfs/dbraw/zinc/58/55/87/588585587.db2.gz IOMHIBZGJJBOPV-SECBINFHSA-N 0 3 249.266 2.386 20 5 BEBDHN CC(COC(=O)[C@@H]1CCCC2(CC2)C1)[N+](=O)[O-] ZINC000851036548 588585621 /nfs/dbraw/zinc/58/56/21/588585621.db2.gz KGFGTRFKAWODLD-VHSXEESVSA-N 0 3 241.287 2.165 20 5 BEBDHN CC(COC(=O)C1CCC2(CC2)CC1)[N+](=O)[O-] ZINC000851036137 588585687 /nfs/dbraw/zinc/58/56/87/588585687.db2.gz FWQFXVGWFLZBRQ-VIFPVBQESA-N 0 3 241.287 2.165 20 5 BEBDHN Cc1cc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000870378461 589661556 /nfs/dbraw/zinc/66/15/56/589661556.db2.gz WZSHQUBPQZFKTR-ZETCQYMHSA-N 0 3 243.284 2.187 20 5 BEBDHN O=[N+]([O-])c1ccc(CN2CC[C@H](CF)C2)cc1 ZINC000880292931 590986991 /nfs/dbraw/zinc/98/69/91/590986991.db2.gz YCRPQYFFQOWJMY-LLVKDONJSA-N 0 3 238.262 2.386 20 5 BEBDHN CCc1ccc([C@@H]2CCN(CC[N+](=O)[O-])C2)cc1 ZINC000930564834 633899912 /nfs/dbraw/zinc/89/99/12/633899912.db2.gz OHBIMFRXZHCDTQ-CQSZACIVSA-N 0 3 248.326 2.315 20 5 BEBDHN Cc1ccc(C(C)(C)CNCC[N+](=O)[O-])cc1 ZINC000905096424 637633354 /nfs/dbraw/zinc/63/33/54/637633354.db2.gz JDJKPVHXBVCDDL-UHFFFAOYSA-N 0 3 236.315 2.139 20 5 BEBDHN C[C@H]1CCN(CC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000931746684 640344021 /nfs/dbraw/zinc/34/40/21/640344021.db2.gz KHQHXJBTDGKDAW-WCQYABFASA-N 0 3 234.299 2.346 20 5 BEBDHN CC(C)CN(CC[N+](=O)[O-])Cc1ccccc1 ZINC000929400495 646109317 /nfs/dbraw/zinc/10/93/17/646109317.db2.gz BGGCHCYXVCMUFM-UHFFFAOYSA-N 0 3 236.315 2.421 20 5 BEBDHN O=[N+]([O-])CCN1CCCC2(CCCCC2)C1 ZINC000929625117 646208974 /nfs/dbraw/zinc/20/89/74/646208974.db2.gz UWVPIIJZDVLBRO-UHFFFAOYSA-N 0 3 226.320 2.309 20 5 BEBDHN Cc1ccccc1C[C@H]1CCCN1CC[N+](=O)[O-] ZINC000929647771 646219363 /nfs/dbraw/zinc/21/93/63/646219363.db2.gz BLENQWQXJNNTMD-CQSZACIVSA-N 0 3 248.326 2.279 20 5 BEBDHN C[C@@H]1C[C@H](c2ccccc2)CN1CC[N+](=O)[O-] ZINC000929653459 646221727 /nfs/dbraw/zinc/22/17/27/646221727.db2.gz BXSZJBYLAMOBFE-YPMHNXCESA-N 0 3 234.299 2.141 20 5 BEBDHN Cc1cccc(-n2ccc([C@H](C)N)n2)c1[N+](=O)[O-] ZINC001169231955 969509641 /nfs/dbraw/zinc/50/96/41/969509641.db2.gz XCIQZGYXQMLULT-VIFPVBQESA-N 0 3 246.270 2.109 20 5 BEBDHN Cc1cccc([N+](=O)[O-])c1-n1ccc([C@H](C)N)n1 ZINC001169231941 969510038 /nfs/dbraw/zinc/51/00/38/969510038.db2.gz WXJFBMCDLXRWKH-VIFPVBQESA-N 0 3 246.270 2.109 20 5 BEBDHN CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC001328083232 972869157 /nfs/dbraw/zinc/86/91/57/972869157.db2.gz APFKGXQTUDJILV-MRVPVSSYSA-N 0 3 224.260 2.274 20 5 BEBDHN C[C@@H](N[C@H](C)[C@H](C)O)c1ccccc1[N+](=O)[O-] ZINC001329649243 973868689 /nfs/dbraw/zinc/86/86/89/973868689.db2.gz ZNXMGBIGQXQKRX-BBBLOLIVSA-N 0 3 238.287 2.015 20 5 BEBDHN CC[C@](C)(NCC[N+](=O)[O-])c1ccccc1 ZINC001333174801 975528892 /nfs/dbraw/zinc/52/88/92/975528892.db2.gz MYLRAHIMRJWEJJ-LBPRGKRZSA-N 0 3 222.288 2.178 20 5 BEBDHN COc1ccc(Nc2nccn2C)cc1[N+](=O)[O-] ZINC001176359722 978048915 /nfs/dbraw/zinc/04/89/15/978048915.db2.gz LOCUERNWCQTHSZ-UHFFFAOYSA-N 0 3 248.242 2.081 20 5 BEBDHN O=[N+]([O-])CCN[C@@H](CC1CC1)c1ccccc1 ZINC001340731929 979081052 /nfs/dbraw/zinc/08/10/52/979081052.db2.gz QPTAVHATIXPSCN-ZDUSSCGKSA-N 0 3 234.299 2.394 20 5 BEBDHN O=[N+]([O-])c1ccc(N[C@H]2CN3CCC2CC3)cc1 ZINC000021507154 1170167568 /nfs/dbraw/zinc/16/75/68/1170167568.db2.gz KEKAKWCALVYDJJ-ZDUSSCGKSA-N 0 3 247.298 2.101 20 5 BEBDHN O=[N+]([O-])c1cc(CN[C@H]2CCSC2)cs1 ZINC000230704220 346911901 /nfs/dbraw/zinc/91/19/01/346911901.db2.gz AESISIHKGUTMMU-QMMMGPOBSA-N 0 3 244.341 2.251 20 5 BEBDHN CCN(CC)Cc1ccccc1[N+](=O)[O-] ZINC000118748073 345678993 /nfs/dbraw/zinc/67/89/93/345678993.db2.gz ZZLYWHZNBDCOFU-UHFFFAOYSA-N 0 3 208.261 2.437 20 5 BEBDHN Cc1cccc(N[C@@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000235121540 179152760 /nfs/dbraw/zinc/15/27/60/179152760.db2.gz JBECHNVIXRGZPQ-JTQLQIEISA-N 0 3 237.303 2.265 20 5 BEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000594983692 348164953 /nfs/dbraw/zinc/16/49/53/348164953.db2.gz BVZXNKQVFXDELB-PTEHBNRSSA-N 0 3 232.283 2.483 20 5 BEBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595806752 348348328 /nfs/dbraw/zinc/34/83/28/348348328.db2.gz FYIPPRBVUYMWRU-VXGBXAGGSA-N 0 3 232.283 2.437 20 5 BEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H]2C[C@H]2C1 ZINC000595808330 348349006 /nfs/dbraw/zinc/34/90/06/348349006.db2.gz CSLJSNPBMVMQHQ-JQWIXIFHSA-N 0 3 232.283 2.437 20 5 BEBDHN O=[N+]([O-])c1ccc(CN2CC[C@H]3C[C@H]3C2)cc1 ZINC000595810020 348349791 /nfs/dbraw/zinc/34/97/91/348349791.db2.gz VRVYGQNRICPYIY-RYUDHWBXSA-N 0 3 232.283 2.437 20 5 BEBDHN Cc1cc(NC[C@@H](C)N(C)C)c([N+](=O)[O-])s1 ZINC000596075258 348438889 /nfs/dbraw/zinc/43/88/89/348438889.db2.gz KLOGKUGUZYHABG-SSDOTTSWSA-N 0 3 243.332 2.327 20 5 BEBDHN C[C@H]1C[C@@H]1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599354434 349164869 /nfs/dbraw/zinc/16/48/69/349164869.db2.gz VPVXOSWSMLFGAV-VHSXEESVSA-N 0 3 247.298 2.004 20 5 BEBDHN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343569857 350976227 /nfs/dbraw/zinc/97/62/27/350976227.db2.gz YTPRUKHHKREOLF-ZWNOBZJWSA-N 0 3 249.314 2.489 20 5 BEBDHN CC[C@@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000036722077 188286312 /nfs/dbraw/zinc/28/63/12/188286312.db2.gz MFJZVZAPGHGEMR-SECBINFHSA-N 0 3 238.287 2.492 20 5 BEBDHN Cc1ccc(NCCN2CCCC2)c([N+](=O)[O-])c1 ZINC000054128715 359399253 /nfs/dbraw/zinc/39/92/53/359399253.db2.gz YUDGKOOVRUSIKJ-UHFFFAOYSA-N 0 3 249.314 2.411 20 5 BEBDHN C[C@@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000090795060 360088610 /nfs/dbraw/zinc/08/86/10/360088610.db2.gz GWHFYDWMNAZFDJ-MNOVXSKESA-N 0 3 249.314 2.489 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(NCCN2CCCC2)c1 ZINC000094659644 369867396 /nfs/dbraw/zinc/86/73/96/369867396.db2.gz YNNCUMFCLKHBSW-UHFFFAOYSA-N 0 3 249.314 2.411 20 5 BEBDHN CN(CCNc1ccc([N+](=O)[O-])s1)C1CC1 ZINC000309965968 370281346 /nfs/dbraw/zinc/28/13/46/370281346.db2.gz NLVQGQYCEFQSPA-UHFFFAOYSA-N 0 3 241.316 2.162 20 5 BEBDHN CCN1CCC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000021504699 371436082 /nfs/dbraw/zinc/43/60/82/371436082.db2.gz JFGZKENWDBLWRE-LLVKDONJSA-N 0 3 249.314 2.491 20 5 BEBDHN Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[C@@H]2C1 ZINC000600189243 371650887 /nfs/dbraw/zinc/65/08/87/371650887.db2.gz DICJOBTYENUQTJ-TXEJJXNPSA-N 0 3 232.283 2.355 20 5 BEBDHN CCC1CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602689594 371830059 /nfs/dbraw/zinc/83/00/59/371830059.db2.gz FNVVCCPMNQMIKO-UHFFFAOYSA-N 0 3 234.299 2.479 20 5 BEBDHN CC(C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602506499 371816009 /nfs/dbraw/zinc/81/60/09/371816009.db2.gz YHDVZDHOGAADCS-UHFFFAOYSA-N 0 3 249.270 2.482 20 5 BEBDHN C[C@@H](F)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000339494153 383988360 /nfs/dbraw/zinc/98/83/60/383988360.db2.gz JYTZLDYIPLXBPK-SECBINFHSA-N 0 3 226.251 2.433 20 5 BEBDHN C[C@@H](F)CCNCc1ccccc1[N+](=O)[O-] ZINC000339482853 383988497 /nfs/dbraw/zinc/98/84/97/383988497.db2.gz JWYZGTOMPCUBNH-SECBINFHSA-N 0 3 226.251 2.433 20 5 BEBDHN CS[C@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000128000347 384075526 /nfs/dbraw/zinc/07/55/26/384075526.db2.gz BZZYBSYEMOJVEC-SECBINFHSA-N 0 3 240.328 2.436 20 5 BEBDHN COCC[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000082367510 384211679 /nfs/dbraw/zinc/21/16/79/384211679.db2.gz JUUZHMMVHPOLRG-QMMMGPOBSA-N 0 3 244.316 2.171 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(NCC2(N(C)C)CC2)c1 ZINC000397977203 385731529 /nfs/dbraw/zinc/73/15/29/385731529.db2.gz PMQZLKWDJCBKFY-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN C[C@@H](CN(C)C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000343787200 385731902 /nfs/dbraw/zinc/73/19/02/385731902.db2.gz CXAXCYDBLPAYTM-QMMMGPOBSA-N 0 3 241.266 2.096 20 5 BEBDHN CO[C@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000163251208 386144065 /nfs/dbraw/zinc/14/40/65/386144065.db2.gz WSCCFEFJXKNLBW-VHSXEESVSA-N 0 3 238.287 2.108 20 5 BEBDHN C[C@H](CN(C)C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000160232313 386467079 /nfs/dbraw/zinc/46/70/79/386467079.db2.gz ULHJQJKYCLIDFF-MRVPVSSYSA-N 0 3 241.266 2.096 20 5 BEBDHN O=[N+]([O-])c1ccccc1CNCCCCF ZINC000336667836 386785323 /nfs/dbraw/zinc/78/53/23/386785323.db2.gz QMJGDOPYPSRQBR-UHFFFAOYSA-N 0 3 226.251 2.434 20 5 BEBDHN CCN(C)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000054128034 387346719 /nfs/dbraw/zinc/34/67/19/387346719.db2.gz KFXSYCMUTHHGCG-UHFFFAOYSA-N 0 3 241.266 2.098 20 5 BEBDHN CO[C@H](C)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000130038350 387432844 /nfs/dbraw/zinc/43/28/44/387432844.db2.gz XQYBSTIZULXJAM-VHSXEESVSA-N 0 3 238.287 2.108 20 5 BEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000152868667 388373132 /nfs/dbraw/zinc/37/31/32/388373132.db2.gz IZVCUBFWNHCGAG-UPJWGTAASA-N 0 3 248.282 2.004 20 5 BEBDHN CO[C@H](C)[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000163248426 388374353 /nfs/dbraw/zinc/37/43/53/388374353.db2.gz MBBFYFZPWXSQOM-NXEZZACHSA-N 0 3 238.287 2.108 20 5 BEBDHN CO[C@@H](C)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000227986181 388375549 /nfs/dbraw/zinc/37/55/49/388375549.db2.gz OLFNUDSMCRXGOJ-UWVGGRQHSA-N 0 3 238.287 2.280 20 5 BEBDHN COC(C)(C)CNCc1csc([N+](=O)[O-])c1 ZINC000133011595 388375584 /nfs/dbraw/zinc/37/55/84/388375584.db2.gz OZTRTGYDPLGKQX-UHFFFAOYSA-N 0 3 244.316 2.171 20 5 BEBDHN COCC(C)(C)NCc1ccc([N+](=O)[O-])cc1 ZINC000066996049 388691348 /nfs/dbraw/zinc/69/13/48/388691348.db2.gz SXHKXHOAFBYYKT-UHFFFAOYSA-N 0 3 238.287 2.109 20 5 BEBDHN CCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000065684168 388697087 /nfs/dbraw/zinc/69/70/87/388697087.db2.gz FWYRKLVNWYDPLY-UHFFFAOYSA-N 0 3 208.261 2.437 20 5 BEBDHN CCN1CC[C@@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC000090459506 170014517 /nfs/dbraw/zinc/01/45/17/170014517.db2.gz YYINYPJMPZOOKZ-SNVBAGLBSA-N 0 3 236.271 2.068 20 5 BEBDHN CC[C@H](C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000036722078 171343411 /nfs/dbraw/zinc/34/34/11/171343411.db2.gz MFJZVZAPGHGEMR-VIFPVBQESA-N 0 3 238.287 2.492 20 5 BEBDHN COCCCCNCc1csc([N+](=O)[O-])c1 ZINC000044658109 174202649 /nfs/dbraw/zinc/20/26/49/174202649.db2.gz GNFRKNGLHJRXOO-UHFFFAOYSA-N 0 3 244.316 2.173 20 5 BEBDHN COCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020085603 174337731 /nfs/dbraw/zinc/33/77/31/174337731.db2.gz LIHLSJBCKNHCNF-JTQLQIEISA-N 0 3 238.287 2.200 20 5 BEBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000293525753 176294193 /nfs/dbraw/zinc/29/41/93/176294193.db2.gz WLPWHAUABDDJLV-GHMZBOCLSA-N 0 3 234.299 2.478 20 5 BEBDHN C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000263785278 177165500 /nfs/dbraw/zinc/16/55/00/177165500.db2.gz ZQYMIIAQSSPVEK-JTQLQIEISA-N 0 3 220.272 2.437 20 5 BEBDHN C[C@H]1C[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000052274890 177349864 /nfs/dbraw/zinc/34/98/64/177349864.db2.gz QTNSGVYJZXCDOS-XPUUQOCRSA-N 0 3 212.274 2.154 20 5 BEBDHN CC(COC(=O)CCCC(C)(C)C)[N+](=O)[O-] ZINC000813115704 586594428 /nfs/dbraw/zinc/59/44/28/586594428.db2.gz YFMMOKMBRRUSKR-SECBINFHSA-N 0 3 231.292 2.411 20 5 BEBDHN CC[C@@H](C)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000337324257 490329718 /nfs/dbraw/zinc/32/97/18/490329718.db2.gz UFGFPUSSIGGEEV-SECBINFHSA-N 0 3 235.287 2.146 20 5 BEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813111734 582588869 /nfs/dbraw/zinc/58/88/69/582588869.db2.gz WLUQRRLSQSNDIX-JTQLQIEISA-N 0 3 237.255 2.125 20 5 BEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1C ZINC000813111738 582588885 /nfs/dbraw/zinc/58/88/85/582588885.db2.gz WLUQRRLSQSNDIX-SNVBAGLBSA-N 0 3 237.255 2.125 20 5 BEBDHN CC(COC(=O)C[C@H]1CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813106242 582581670 /nfs/dbraw/zinc/58/16/70/582581670.db2.gz BFJDZXRXUGUSMG-BBBLOLIVSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)[C@H](C)CC1CCCC1)[N+](=O)[O-] ZINC000813107697 582583984 /nfs/dbraw/zinc/58/39/84/582583984.db2.gz ULSIZBNEBOMKOZ-ZJUUUORDSA-N 0 3 243.303 2.411 20 5 BEBDHN CC[C@@H]1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110734 582588102 /nfs/dbraw/zinc/58/81/02/582588102.db2.gz IHKVBMLUOWTVCJ-MXWKQRLJSA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)C1(C)CCCCC1)[N+](=O)[O-] ZINC000813113820 582590977 /nfs/dbraw/zinc/59/09/77/582590977.db2.gz JOQQVIGKKSNMPC-VIFPVBQESA-N 0 3 229.276 2.165 20 5 BEBDHN CC(COC(=O)[C@H]1CCCC(C)(C)C1)[N+](=O)[O-] ZINC000813115377 582591945 /nfs/dbraw/zinc/59/19/45/582591945.db2.gz QIABZMZBALVLNZ-ZJUUUORDSA-N 0 3 243.303 2.411 20 5 BEBDHN CN(CCCCc1ccccc1)CC[N+](=O)[O-] ZINC000791052757 583384725 /nfs/dbraw/zinc/38/47/25/583384725.db2.gz BWQHPSJGVYUMAB-UHFFFAOYSA-N 0 3 236.315 2.218 20 5 BEBDHN C/C=C\CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858538314 588963784 /nfs/dbraw/zinc/96/37/84/588963784.db2.gz TVVCQRCILLEMOI-TYRPZCRBSA-N 0 3 235.287 2.404 20 5 BEBDHN CC(C)c1ccc(CCNCC[N+](=O)[O-])cc1 ZINC000899859683 584242821 /nfs/dbraw/zinc/24/28/21/584242821.db2.gz MIAYJRGSPKGXCQ-UHFFFAOYSA-N 0 3 236.315 2.219 20 5 BEBDHN C[C@@H](Cc1ccccc1Cl)NCC[N+](=O)[O-] ZINC000899870091 584244735 /nfs/dbraw/zinc/24/47/35/584244735.db2.gz DEMNKTYRIHMIAA-VIFPVBQESA-N 0 3 242.706 2.137 20 5 BEBDHN CC(C)CCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000838964421 585082596 /nfs/dbraw/zinc/08/25/96/585082596.db2.gz JDVNFRYDCRXALY-SNVBAGLBSA-N 0 3 231.292 2.411 20 5 BEBDHN O=[N+]([O-])CCN1CCCC[C@H]1Cc1ccccc1 ZINC000787720733 585914471 /nfs/dbraw/zinc/91/44/71/585914471.db2.gz ZWFGAHBZCSPHGM-AWEZNQCLSA-N 0 3 248.326 2.360 20 5 BEBDHN CN(C)CCS/C=C\c1ccc([N+](=O)[O-])o1 ZINC000789930892 585954200 /nfs/dbraw/zinc/95/42/00/585954200.db2.gz WJKUQAPJNWEWSR-ALCCZGGFSA-N 0 3 242.300 2.453 20 5 BEBDHN CC(C)C[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102147 586591935 /nfs/dbraw/zinc/59/19/35/586591935.db2.gz OGMCVVKGZVBXSC-VHSXEESVSA-N 0 3 231.292 2.267 20 5 BEBDHN CCCC[C@@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105081 586592600 /nfs/dbraw/zinc/59/26/00/586592600.db2.gz JNTYPZWUCGODCR-NXEZZACHSA-N 0 3 231.292 2.411 20 5 BEBDHN CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813106597 586592609 /nfs/dbraw/zinc/59/26/09/586592609.db2.gz FQRVGLBAXGUNGE-ZJUUUORDSA-N 0 3 231.292 2.267 20 5 BEBDHN CCCc1occc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106156 586592696 /nfs/dbraw/zinc/59/26/96/586592696.db2.gz ZPRRCWHDTNYMKE-MRVPVSSYSA-N 0 3 241.243 2.054 20 5 BEBDHN Cc1oc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813107184 586592904 /nfs/dbraw/zinc/59/29/04/586592904.db2.gz LOLFCUFCMSYACK-ZCFIWIBFSA-N 0 3 241.243 2.027 20 5 BEBDHN CCCC(CCC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813109242 586593029 /nfs/dbraw/zinc/59/30/29/586593029.db2.gz HFXBGIIJTCGJEF-SECBINFHSA-N 0 3 231.292 2.411 20 5 BEBDHN CC(COC(=O)c1csc(Cl)c1)[N+](=O)[O-] ZINC000813109344 586593369 /nfs/dbraw/zinc/59/33/69/586593369.db2.gz ITTAUZCUADCUMH-YFKPBYRVSA-N 0 3 249.675 2.224 20 5 BEBDHN CCCCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813110969 586593469 /nfs/dbraw/zinc/59/34/69/586593469.db2.gz NFVIHAVQSFQAMT-VIFPVBQESA-N 0 3 217.265 2.165 20 5 BEBDHN CC(COC(=O)[C@@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813111035 586593545 /nfs/dbraw/zinc/59/35/45/586593545.db2.gz ATWOASMYDCPDAZ-KXUCPTDWSA-N 0 3 229.276 2.021 20 5 BEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])sc1C ZINC000813112441 586593722 /nfs/dbraw/zinc/59/37/22/586593722.db2.gz HFKLOZGFOPMAJW-SSDOTTSWSA-N 0 3 243.284 2.187 20 5 BEBDHN CCCC(C)(C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114412 586594036 /nfs/dbraw/zinc/59/40/36/586594036.db2.gz RECJFJQZVLTTTQ-SECBINFHSA-N 0 3 231.292 2.411 20 5 BEBDHN CC(COC(=O)[C@@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000821167844 587099763 /nfs/dbraw/zinc/09/97/63/587099763.db2.gz YZQVPEODVCCSQK-OPRDCNLKSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)C1(C2CCC2)CCC1)[N+](=O)[O-] ZINC000835455056 587802960 /nfs/dbraw/zinc/80/29/60/587802960.db2.gz MDLUGBSHVIGXIX-VIFPVBQESA-N 0 3 241.287 2.165 20 5 BEBDHN CC(COC(=O)[C@H]1CC[C@H](C)CC1)[N+](=O)[O-] ZINC000845577532 588233965 /nfs/dbraw/zinc/23/39/65/588233965.db2.gz VMRPSKXIWOEDRQ-GUBZILKMSA-N 0 3 229.276 2.021 20 5 BEBDHN CC1=CC[C@](C)(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000851036565 588585590 /nfs/dbraw/zinc/58/55/90/588585590.db2.gz KLGUPGAWLRVFRC-JQWIXIFHSA-N 0 3 241.287 2.331 20 5 BEBDHN CC1=CC[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000851036568 588585650 /nfs/dbraw/zinc/58/56/50/588585650.db2.gz KLGUPGAWLRVFRC-ZYHUDNBSSA-N 0 3 241.287 2.331 20 5 BEBDHN CCC[C@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000873532864 590054456 /nfs/dbraw/zinc/05/44/56/590054456.db2.gz ORMZFLNLPQXFAC-BDAKNGLRSA-N 0 3 217.265 2.021 20 5 BEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@H](CF)C1 ZINC000880288710 590984749 /nfs/dbraw/zinc/98/47/49/590984749.db2.gz DRLLRTZTMRGFEU-SNVBAGLBSA-N 0 3 238.262 2.386 20 5 BEBDHN O=[N+]([O-])c1ncccc1CN1CC[C@@H](C2CC2)C1 ZINC000886097934 592147462 /nfs/dbraw/zinc/14/74/62/592147462.db2.gz HACYOFQUCNQBPB-LLVKDONJSA-N 0 3 247.298 2.222 20 5 BEBDHN C[C@H]1CCC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886169832 592168646 /nfs/dbraw/zinc/16/86/46/592168646.db2.gz JPBIENYNCAIGIQ-GXSJLCMTSA-N 0 3 235.287 2.268 20 5 BEBDHN CC1(C)CC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886229507 592181360 /nfs/dbraw/zinc/18/13/60/592181360.db2.gz QMGWOVJYUPNDCR-JTQLQIEISA-N 0 3 235.287 2.268 20 5 BEBDHN Cc1oc2ccccc2c1CCNCC[N+](=O)[O-] ZINC000905216691 637699138 /nfs/dbraw/zinc/69/91/38/637699138.db2.gz TXPKOWYSUVQYKF-UHFFFAOYSA-N 0 3 248.282 2.150 20 5 BEBDHN C[C@H]1C[C@H](C(C)(C)C)CCN1CC[N+](=O)[O-] ZINC000930492220 639781871 /nfs/dbraw/zinc/78/18/71/639781871.db2.gz FDWAHHDAMRQLTL-WDEREUQCSA-N 0 3 228.336 2.410 20 5 BEBDHN C[C@@H](N[C@@H](C)CCO)c1ccccc1[N+](=O)[O-] ZINC000098005681 642654429 /nfs/dbraw/zinc/65/44/29/642654429.db2.gz RPDUIOABVBVSFC-VHSXEESVSA-N 0 3 238.287 2.016 20 5 BEBDHN CC[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000814938861 644947735 /nfs/dbraw/zinc/94/77/35/644947735.db2.gz WYKXOKVVPSJFAZ-NSHDSACASA-N 0 3 249.314 2.125 20 5 BEBDHN Cc1ccccc1[C@@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929458732 646126665 /nfs/dbraw/zinc/12/66/65/646126665.db2.gz QVZHSEMOBDDTRI-GFCCVEGCSA-N 0 3 234.299 2.061 20 5 BEBDHN C[C@@H]1C[C@@H](c2ccccc2)CN1CC[N+](=O)[O-] ZINC000929653457 646222050 /nfs/dbraw/zinc/22/20/50/646222050.db2.gz BXSZJBYLAMOBFE-DGCLKSJQSA-N 0 3 234.299 2.141 20 5 BEBDHN CCN1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000712595125 712436306 /nfs/dbraw/zinc/43/63/06/712436306.db2.gz PCXOBUIPAKDCQU-GFCCVEGCSA-N 0 3 235.287 2.101 20 5 BEBDHN Cc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc[nH+]1 ZINC001199801373 983020169 /nfs/dbraw/zinc/02/01/69/983020169.db2.gz DGCGRSUURYSECA-UHFFFAOYSA-N 0 3 245.238 2.169 20 5 BEBDHN Cc1ccc([C@@H]2CCN(CC[N+](=O)[O-])C2)cc1 ZINC001119810166 989413952 /nfs/dbraw/zinc/41/39/52/989413952.db2.gz KJPJPGFFDRGXEV-CYBMUJFWSA-N 0 3 234.299 2.061 20 5 BEBDHN CC(COC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)[N+](=O)[O-] ZINC001122950435 990468218 /nfs/dbraw/zinc/46/82/18/990468218.db2.gz JRDXCLJQFKKCEV-CHWFTXMASA-N 0 3 241.287 2.021 20 5 BEBDHN CCCCC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC001263502323 993344811 /nfs/dbraw/zinc/34/48/11/993344811.db2.gz QBXMBBHHTHUHFT-SECBINFHSA-N 0 3 229.276 2.165 20 5 BEBDHN Cc1cc(NCCN(C)C2CC2)ccc1[N+](=O)[O-] ZINC000059035243 178159964 /nfs/dbraw/zinc/15/99/64/178159964.db2.gz LQXHRSFKMCJUHZ-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN Cc1ccc(NC2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000037267612 361793814 /nfs/dbraw/zinc/79/38/14/361793814.db2.gz YSNOXULKTKJMCV-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN CSCCNCc1cccc([N+](=O)[O-])c1 ZINC000070184125 345453925 /nfs/dbraw/zinc/45/39/25/345453925.db2.gz GXPSQCPCOOPBQO-UHFFFAOYSA-N 0 3 226.301 2.047 20 5 BEBDHN CSCCNCc1ccc([N+](=O)[O-])cc1 ZINC000070184126 345454217 /nfs/dbraw/zinc/45/42/17/345454217.db2.gz MPVLWOCXFKXWAQ-UHFFFAOYSA-N 0 3 226.301 2.047 20 5 BEBDHN Cc1cccc([N+](=O)[O-])c1NC1CCN(C)CC1 ZINC000124003599 179206116 /nfs/dbraw/zinc/20/61/16/179206116.db2.gz USQVRYFOXWRJMB-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN C[C@H]1[C@H](Nc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343454566 350970399 /nfs/dbraw/zinc/97/03/99/350970399.db2.gz IOIIAXKYKKVRJN-WDEREUQCSA-N 0 3 249.314 2.489 20 5 BEBDHN CC1(C)C[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000044371126 187606421 /nfs/dbraw/zinc/60/64/21/187606421.db2.gz ZIILLSVUQDSWKT-NSHDSACASA-N 0 3 220.272 2.483 20 5 BEBDHN COc1ccc(CN[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000052287984 188299905 /nfs/dbraw/zinc/29/99/05/188299905.db2.gz HEXDSPNRRSYOSU-PSASIEDQSA-N 0 3 236.271 2.101 20 5 BEBDHN CC[C@@H](N[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602180 358002643 /nfs/dbraw/zinc/00/26/43/358002643.db2.gz YMZYDDOIMRWRPL-JOYOIKCWSA-N 0 3 238.287 2.016 20 5 BEBDHN COC[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087684 370236058 /nfs/dbraw/zinc/23/60/58/370236058.db2.gz CBZBNTCDUNHVCM-VHSXEESVSA-N 0 3 238.287 2.280 20 5 BEBDHN CCN1CCC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000021504700 371435989 /nfs/dbraw/zinc/43/59/89/371435989.db2.gz JFGZKENWDBLWRE-NSHDSACASA-N 0 3 249.314 2.491 20 5 BEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CCSC1 ZINC000050015513 383888640 /nfs/dbraw/zinc/88/86/40/383888640.db2.gz NJSQSAYKQVJSSA-JTQLQIEISA-N 0 3 238.312 2.190 20 5 BEBDHN C[C@H](F)CCNCc1ccc([N+](=O)[O-])cc1 ZINC000339494156 383988715 /nfs/dbraw/zinc/98/87/15/383988715.db2.gz JYTZLDYIPLXBPK-VIFPVBQESA-N 0 3 226.251 2.433 20 5 BEBDHN COc1ccc(CN[C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424185149 384780078 /nfs/dbraw/zinc/78/00/78/384780078.db2.gz OJEAAQOFRCBIDS-LBPRGKRZSA-N 0 3 248.282 2.246 20 5 BEBDHN CN(CCCF)CCc1cccc([N+](=O)[O-])c1 ZINC000282419847 385762523 /nfs/dbraw/zinc/76/25/23/385762523.db2.gz JHEJROJFVMQJDF-UHFFFAOYSA-N 0 3 240.278 2.429 20 5 BEBDHN COc1ccc(CN[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000052287986 385720205 /nfs/dbraw/zinc/72/02/05/385720205.db2.gz HEXDSPNRRSYOSU-WCBMZHEXSA-N 0 3 236.271 2.101 20 5 BEBDHN CO[C@@H](C)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182428333 385861671 /nfs/dbraw/zinc/86/16/71/385861671.db2.gz BNCARZSGVCFWNJ-VHSXEESVSA-N 0 3 238.287 2.280 20 5 BEBDHN C[C@@H](CN(C)C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000160232188 386467246 /nfs/dbraw/zinc/46/72/46/386467246.db2.gz ULHJQJKYCLIDFF-QMMMGPOBSA-N 0 3 241.266 2.096 20 5 BEBDHN CN(C)CCSCc1ccc([N+](=O)[O-])cc1 ZINC000268029801 386771649 /nfs/dbraw/zinc/77/16/49/386771649.db2.gz XEDFEPLLWAWWGR-UHFFFAOYSA-N 0 3 240.328 2.390 20 5 BEBDHN C[C@H](NCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000193276837 388842754 /nfs/dbraw/zinc/84/27/54/388842754.db2.gz OWFIASHOLMXJOZ-JTQLQIEISA-N 0 3 238.287 2.018 20 5 BEBDHN CC(C)CNCc1ccccc1[N+](=O)[O-] ZINC000020036821 167010700 /nfs/dbraw/zinc/01/07/00/167010700.db2.gz SQLLFYNQAWLBQA-UHFFFAOYSA-N 0 3 208.261 2.340 20 5 BEBDHN CC[C@H](C)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332726032 171282211 /nfs/dbraw/zinc/28/22/11/171282211.db2.gz UCPWHRIRGBRGOG-JTQLQIEISA-N 0 3 249.314 2.394 20 5 BEBDHN COCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020085604 174340350 /nfs/dbraw/zinc/34/03/50/174340350.db2.gz LIHLSJBCKNHCNF-SNVBAGLBSA-N 0 3 238.287 2.200 20 5 BEBDHN C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000299616792 176175684 /nfs/dbraw/zinc/17/56/84/176175684.db2.gz IQTAJWMJAMAKGW-SNVBAGLBSA-N 0 3 220.272 2.437 20 5 BEBDHN C[C@@H]1CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000309331563 176237125 /nfs/dbraw/zinc/23/71/25/176237125.db2.gz SLYMTFVZDCWPEP-MWLCHTKSSA-N 0 3 220.272 2.483 20 5 BEBDHN C[C@H]1C[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000052272247 177385309 /nfs/dbraw/zinc/38/53/09/177385309.db2.gz XTHBXAHCYVEIQS-GZMMTYOYSA-N 0 3 206.245 2.093 20 5 BEBDHN CCCC[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111749 582589030 /nfs/dbraw/zinc/58/90/30/582589030.db2.gz WOPNYHWJSUCCQO-DTWKUNHWSA-N 0 3 217.265 2.021 20 5 BEBDHN CC[C@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000164200415 583134676 /nfs/dbraw/zinc/13/46/76/583134676.db2.gz DNMXOIOXJDLMNI-ZJUUUORDSA-N 0 3 238.287 2.016 20 5 BEBDHN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])s2)CCN1C ZINC000895739502 583714548 /nfs/dbraw/zinc/71/45/48/583714548.db2.gz FLWQEXISOFFHRZ-YUMQZZPRSA-N 0 3 241.316 2.161 20 5 BEBDHN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])s2)CCN1C ZINC000895739500 583714624 /nfs/dbraw/zinc/71/46/24/583714624.db2.gz FLWQEXISOFFHRZ-JGVFFNPUSA-N 0 3 241.316 2.161 20 5 BEBDHN CC(C)[C@@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000899872152 584244499 /nfs/dbraw/zinc/24/44/99/584244499.db2.gz YCDUKISXJRFQON-CYBMUJFWSA-N 0 3 236.315 2.293 20 5 BEBDHN Cc1ccc([C@@H](NCC[N+](=O)[O-])C2CC2)cc1 ZINC000899863873 584244705 /nfs/dbraw/zinc/24/47/05/584244705.db2.gz BLWWTIKMZOODKE-CYBMUJFWSA-N 0 3 234.299 2.312 20 5 BEBDHN C[C@H](Cc1ccccc1Cl)NCC[N+](=O)[O-] ZINC000899870081 584244785 /nfs/dbraw/zinc/24/47/85/584244785.db2.gz DEMNKTYRIHMIAA-SECBINFHSA-N 0 3 242.706 2.137 20 5 BEBDHN O=[N+]([O-])c1ccc(CCN2CC[C@@H]3C[C@@H]32)cc1 ZINC000761100161 585409013 /nfs/dbraw/zinc/40/90/13/585409013.db2.gz WMMSDVHEEXJMKP-YPMHNXCESA-N 0 3 232.283 2.232 20 5 BEBDHN CN(C)CCS/C=C/c1ccc([N+](=O)[O-])o1 ZINC000789930894 585954009 /nfs/dbraw/zinc/95/40/09/585954009.db2.gz WJKUQAPJNWEWSR-FNORWQNLSA-N 0 3 242.300 2.453 20 5 BEBDHN C[C@H](NCC[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000791054670 585973268 /nfs/dbraw/zinc/97/32/68/585973268.db2.gz NUFWWINYAPKHSU-NSHDSACASA-N 0 3 236.315 2.219 20 5 BEBDHN Cc1ccccc1[C@H]1C[C@H](C)N(CC[N+](=O)[O-])C1 ZINC000791054154 585973299 /nfs/dbraw/zinc/97/32/99/585973299.db2.gz XZPMCYOGZQNPIN-STQMWFEESA-N 0 3 248.326 2.450 20 5 BEBDHN CC(COC(=O)[C@@H](C)c1ccsc1)[N+](=O)[O-] ZINC000813102626 586592004 /nfs/dbraw/zinc/59/20/04/586592004.db2.gz UCCLKQHVZGFPFX-SFYZADRCSA-N 0 3 243.284 2.060 20 5 BEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC000813102821 586592026 /nfs/dbraw/zinc/59/20/26/586592026.db2.gz VYFOUAOLBNJWQJ-JTQLQIEISA-N 0 3 237.255 2.125 20 5 BEBDHN CC(COC(=O)C[C@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813101540 586592055 /nfs/dbraw/zinc/59/20/55/586592055.db2.gz CZRQFZXJQLXRQA-VWYCJHECSA-N 0 3 243.303 2.411 20 5 BEBDHN CC(C)C[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102145 586592140 /nfs/dbraw/zinc/59/21/40/586592140.db2.gz OGMCVVKGZVBXSC-NXEZZACHSA-N 0 3 231.292 2.267 20 5 BEBDHN CCC(CC)(CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813101790 586592172 /nfs/dbraw/zinc/59/21/72/586592172.db2.gz ITVNSMVRQYGJCJ-SECBINFHSA-N 0 3 231.292 2.411 20 5 BEBDHN CC(COC(=O)c1cc2ccccc2o1)[N+](=O)[O-] ZINC000813103941 586592432 /nfs/dbraw/zinc/59/24/32/586592432.db2.gz VBNKOQCBHOTQKY-MRVPVSSYSA-N 0 3 249.222 2.255 20 5 BEBDHN CC(COC(=O)C1C[C@H](C)C[C@@H](C)C1)[N+](=O)[O-] ZINC000813106296 586592812 /nfs/dbraw/zinc/59/28/12/586592812.db2.gz ADCUAJOKDHPFGJ-BBBLOLIVSA-N 0 3 243.303 2.267 20 5 BEBDHN CC(COC(=O)CC1=CCCCC1)[N+](=O)[O-] ZINC000813106924 586592829 /nfs/dbraw/zinc/59/28/29/586592829.db2.gz HZZZQYAFGYWUPT-VIFPVBQESA-N 0 3 227.260 2.085 20 5 BEBDHN Cc1ccc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110028 586593343 /nfs/dbraw/zinc/59/33/43/586593343.db2.gz RBUZSMJHSRQPCS-JTQLQIEISA-N 0 3 237.255 2.125 20 5 BEBDHN CC(COC(=O)[C@H]1CCCCC1(C)C)[N+](=O)[O-] ZINC000813110689 586593497 /nfs/dbraw/zinc/59/34/97/586593497.db2.gz HOELKJFRLXYYQY-NXEZZACHSA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)[C@@H](C)CC(C)(C)C)[N+](=O)[O-] ZINC000813111942 586593611 /nfs/dbraw/zinc/59/36/11/586593611.db2.gz XYTYHJYJNYMKTP-DTWKUNHWSA-N 0 3 231.292 2.267 20 5 BEBDHN CCc1ccc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813110403 586593635 /nfs/dbraw/zinc/59/36/35/586593635.db2.gz ZUOQBAONWQHXSV-ZETCQYMHSA-N 0 3 243.284 2.133 20 5 BEBDHN CC(C)c1ccoc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111765 586593669 /nfs/dbraw/zinc/59/36/69/586593669.db2.gz XBIMQFAYAGLTFV-QMMMGPOBSA-N 0 3 241.243 2.225 20 5 BEBDHN CCC[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112342 586593758 /nfs/dbraw/zinc/59/37/58/586593758.db2.gz FRYDRWRVLQOSAW-IUCAKERBSA-N 0 3 217.265 2.021 20 5 BEBDHN CC(COC(=O)c1sccc1Cl)[N+](=O)[O-] ZINC000813113430 586593942 /nfs/dbraw/zinc/59/39/42/586593942.db2.gz PUNDKADRURQIKJ-RXMQYKEDSA-N 0 3 249.675 2.224 20 5 BEBDHN CC(COC(=O)CCC(C)(C)C)[N+](=O)[O-] ZINC000813114165 586593997 /nfs/dbraw/zinc/59/39/97/586593997.db2.gz ZKAFKVPOKQVMCM-MRVPVSSYSA-N 0 3 217.265 2.021 20 5 BEBDHN CC(COC(=O)CC(C)(C)C1CC1)[N+](=O)[O-] ZINC000816090887 586707486 /nfs/dbraw/zinc/70/74/86/586707486.db2.gz BWRORMBHIUDMIR-MRVPVSSYSA-N 0 3 229.276 2.021 20 5 BEBDHN C[C@H](N[C@H]1CC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818355849 586888309 /nfs/dbraw/zinc/88/83/09/586888309.db2.gz JUSHDMXNUGSXRD-UFBFGSQYSA-N 0 3 247.298 2.380 20 5 BEBDHN CCC[C@@H]1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000835454418 587803145 /nfs/dbraw/zinc/80/31/45/587803145.db2.gz JMICDMDZGMKDIW-AXFHLTTASA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)[C@@H]1C[C@H]1CC(C)(C)C)[N+](=O)[O-] ZINC000842802359 588064982 /nfs/dbraw/zinc/06/49/82/588064982.db2.gz WOFBETOZQQFIGC-LPEHRKFASA-N 0 3 243.303 2.267 20 5 BEBDHN CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845872511 588249399 /nfs/dbraw/zinc/24/93/99/588249399.db2.gz ISNNYTLHRUNGST-CPCISQLKSA-N 0 3 241.218 2.095 20 5 BEBDHN CC(COC(=O)C1CCC2(CC2)CC1)[N+](=O)[O-] ZINC000851036136 588585515 /nfs/dbraw/zinc/58/55/15/588585515.db2.gz FWQFXVGWFLZBRQ-SECBINFHSA-N 0 3 241.287 2.165 20 5 BEBDHN CCC[C@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000873532871 590054503 /nfs/dbraw/zinc/05/45/03/590054503.db2.gz ORMZFLNLPQXFAC-IUCAKERBSA-N 0 3 217.265 2.021 20 5 BEBDHN Cc1ccc(N2CCNC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000212732964 591426342 /nfs/dbraw/zinc/42/63/42/591426342.db2.gz IDEDFIHRSLLPDB-UHFFFAOYSA-N 0 3 249.314 2.091 20 5 BEBDHN C[C@H]1CCc2ccccc2[C@@H]1NCC[N+](=O)[O-] ZINC000905190509 637671296 /nfs/dbraw/zinc/67/12/96/637671296.db2.gz KZYAKRKHDZECCI-GXFFZTMASA-N 0 3 234.299 2.176 20 5 BEBDHN CC1(C)[C@@H](c2ccccc2)[C@@H]1NCC[N+](=O)[O-] ZINC000905390061 637786280 /nfs/dbraw/zinc/78/62/80/637786280.db2.gz OGYKYTGUECHPBN-RYUDHWBXSA-N 0 3 234.299 2.045 20 5 BEBDHN C[C@@H]1CCN(CC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000931746685 640343039 /nfs/dbraw/zinc/34/30/39/640343039.db2.gz KHQHXJBTDGKDAW-YPMHNXCESA-N 0 3 234.299 2.346 20 5 BEBDHN O=[N+]([O-])CCN1CCC[C@H](Cc2ccccc2)C1 ZINC000929588762 646188092 /nfs/dbraw/zinc/18/80/92/646188092.db2.gz YORZKJRIIDBBFW-CQSZACIVSA-N 0 3 248.326 2.218 20 5 BEBDHN CC(C)(C)C1CCN(CC[N+](=O)[O-])CC1 ZINC000929658414 646226271 /nfs/dbraw/zinc/22/62/71/646226271.db2.gz YHQLKNQISKLJKP-UHFFFAOYSA-N 0 3 214.309 2.021 20 5 BEBDHN CCN1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C ZINC000712602461 712437017 /nfs/dbraw/zinc/43/70/17/712437017.db2.gz AZNGXBBRQXYZQR-GFCCVEGCSA-N 0 3 249.314 2.409 20 5 BEBDHN CCN1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1C ZINC000712602462 712437020 /nfs/dbraw/zinc/43/70/20/712437020.db2.gz AZNGXBBRQXYZQR-LBPRGKRZSA-N 0 3 249.314 2.409 20 5 BEBDHN C[C@@H]1[C@H](Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000719578062 712812033 /nfs/dbraw/zinc/81/20/33/712812033.db2.gz MHPBAROIEDIXPB-NXEZZACHSA-N 0 3 235.287 2.099 20 5 BEBDHN CC(COC(=O)[C@@H]1CCC=CCCC1)[N+](=O)[O-] ZINC001348532989 981382351 /nfs/dbraw/zinc/38/23/51/981382351.db2.gz HFQQCMLSNDAYJG-GHMZBOCLSA-N 0 3 241.287 2.331 20 5 BEBDHN CC(C)CNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001161648494 963022496 /nfs/dbraw/zinc/02/24/96/963022496.db2.gz KMBYTYAKIVVMCC-UHFFFAOYSA-N 0 3 235.287 2.266 20 5 BEBDHN COc1ccc(CN[C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000698298224 965192974 /nfs/dbraw/zinc/19/29/74/965192974.db2.gz FHZGNRPPTCTRAO-NSHDSACASA-N 0 3 248.282 2.412 20 5 BEBDHN Cc1cnccc1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209933147 969696500 /nfs/dbraw/zinc/69/65/00/969696500.db2.gz ZMYVIWWUOJPPCQ-UHFFFAOYSA-N 0 3 244.254 2.046 20 5 BEBDHN C[C@H]1CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593335 969744139 /nfs/dbraw/zinc/74/41/39/969744139.db2.gz KVPBZWPRDSSIBE-TVQRCGJNSA-N 0 3 232.283 2.156 20 5 BEBDHN Cc1[nH+]cn(C)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210395862 969884438 /nfs/dbraw/zinc/88/44/38/969884438.db2.gz GEXUSROLDXYVQT-UHFFFAOYSA-N 0 3 248.242 2.086 20 5 BEBDHN Cn1ccnc1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211188678 970169703 /nfs/dbraw/zinc/16/97/03/970169703.db2.gz MSHFWWOBFAWQKL-UHFFFAOYSA-N 0 3 236.206 2.211 20 5 BEBDHN Cc1ccc(Nc2nccn2C)cc1[N+](=O)[O-] ZINC001213660118 970368676 /nfs/dbraw/zinc/36/86/76/970368676.db2.gz RIDZWXIMECQXHL-UHFFFAOYSA-N 0 3 232.243 2.380 20 5 BEBDHN CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC001328083233 972869936 /nfs/dbraw/zinc/86/99/36/972869936.db2.gz APFKGXQTUDJILV-QMMMGPOBSA-N 0 3 224.260 2.274 20 5 BEBDHN C[C@@H](C[N+](C)(C)C)Oc1cccc([O-])c1F ZINC001233873251 978719665 /nfs/dbraw/zinc/71/96/65/978719665.db2.gz XCEJIRUJMHJJFC-VIFPVBQESA-O 0 3 228.287 2.005 20 5 BEBDHN CC(COC(=O)[C@@H]1CCC=CCCC1)[N+](=O)[O-] ZINC001348532994 981383698 /nfs/dbraw/zinc/38/36/98/981383698.db2.gz HFQQCMLSNDAYJG-WDEREUQCSA-N 0 3 241.287 2.331 20 5 BEBDHN Cc1cc([N+](=O)[O-])ccc1CN(C)C1CC1 ZINC000183266321 178271334 /nfs/dbraw/zinc/27/13/34/178271334.db2.gz MLYFHFITHWOSNT-UHFFFAOYSA-N 0 3 220.272 2.497 20 5 BEBDHN CC[C@H](CNCc1cccc([N+](=O)[O-])c1)OC ZINC000289857559 398342890 /nfs/dbraw/zinc/34/28/90/398342890.db2.gz QAYADDIROPNCGK-GFCCVEGCSA-N 0 3 238.287 2.109 20 5 BEBDHN CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000040936459 534934668 /nfs/dbraw/zinc/93/46/68/534934668.db2.gz GBUODOVXKRXQOX-UHFFFAOYSA-N 0 3 249.314 2.127 20 5 BEBDHN CSCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000176448337 365762588 /nfs/dbraw/zinc/76/25/88/365762588.db2.gz ILMDPWDKEXJDMO-UHFFFAOYSA-N 0 3 240.328 2.390 20 5 BEBDHN CC1(C)C[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000044371132 345043343 /nfs/dbraw/zinc/04/33/43/345043343.db2.gz ZIILLSVUQDSWKT-LLVKDONJSA-N 0 3 220.272 2.483 20 5 BEBDHN CC(C)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000175583983 187306120 /nfs/dbraw/zinc/30/61/20/187306120.db2.gz DOVVCOKHGURECB-UHFFFAOYSA-N 0 3 208.261 2.435 20 5 BEBDHN O=[N+]([O-])c1cccc2c1CC[C@H]2NC1CC1 ZINC000581199423 347278094 /nfs/dbraw/zinc/27/80/94/347278094.db2.gz ICJOTEIIVBNSBW-LLVKDONJSA-N 0 3 218.256 2.334 20 5 BEBDHN O=[N+]([O-])c1cccc(CN[C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000594984100 348164898 /nfs/dbraw/zinc/16/48/98/348164898.db2.gz FVMHLPVWTZLHNO-ITGUQSILSA-N 0 3 232.283 2.483 20 5 BEBDHN Cc1cc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])s1 ZINC000596245414 348485997 /nfs/dbraw/zinc/48/59/97/348485997.db2.gz ZDMAQDRLYUOIFL-ZETCQYMHSA-N 0 3 243.332 2.327 20 5 BEBDHN O=[N+]([O-])c1cccc(OCCN2CCCC2)c1 ZINC000052991243 352581207 /nfs/dbraw/zinc/58/12/07/352581207.db2.gz PZKXNBJDNJAYJM-UHFFFAOYSA-N 0 3 236.271 2.069 20 5 BEBDHN COc1ccc(CN[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000052287981 188299498 /nfs/dbraw/zinc/29/94/98/188299498.db2.gz HEXDSPNRRSYOSU-WPRPVWTQSA-N 0 3 236.271 2.101 20 5 BEBDHN CN(C[C@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000420635273 192252354 /nfs/dbraw/zinc/25/23/54/192252354.db2.gz LYPNWAMLYMIFRF-LLVKDONJSA-N 0 3 249.314 2.125 20 5 BEBDHN O=[N+]([O-])c1cccc(CNC2CC=CC2)c1 ZINC000131201601 371568721 /nfs/dbraw/zinc/56/87/21/371568721.db2.gz RLNDNMDZEAOZRO-UHFFFAOYSA-N 0 3 218.256 2.403 20 5 BEBDHN O=[N+]([O-])c1cccc(CN[C@H]2C[C@@H]2C(F)F)c1 ZINC000342245835 182945703 /nfs/dbraw/zinc/94/57/03/182945703.db2.gz ZJIFQWSHISICOB-UWVGGRQHSA-N 0 3 242.225 2.338 20 5 BEBDHN C[C@H](CNc1c(F)cccc1[N+](=O)[O-])N(C)C ZINC000286323135 384270837 /nfs/dbraw/zinc/27/08/37/384270837.db2.gz ZVHDGHYGGIUDDU-MRVPVSSYSA-N 0 3 241.266 2.096 20 5 BEBDHN C[C@H](CSc1ncccc1[N+](=O)[O-])N(C)C ZINC000358876054 384346794 /nfs/dbraw/zinc/34/67/94/384346794.db2.gz BMSQVYLBQKCMNB-MRVPVSSYSA-N 0 3 241.316 2.032 20 5 BEBDHN CO[C@H](C)CCNCc1ccccc1[N+](=O)[O-] ZINC000263769553 385138754 /nfs/dbraw/zinc/13/87/54/385138754.db2.gz CMEQDVIIYLFABK-SNVBAGLBSA-N 0 3 238.287 2.109 20 5 BEBDHN CSCCCNCc1csc([N+](=O)[O-])c1 ZINC000068997616 385186376 /nfs/dbraw/zinc/18/63/76/385186376.db2.gz IANMNASIHGZVSK-UHFFFAOYSA-N 0 3 246.357 2.499 20 5 BEBDHN Cc1ccc(CN[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000052273908 385714490 /nfs/dbraw/zinc/71/44/90/385714490.db2.gz GBFDEEYIOSVEOQ-KOLCDFICSA-N 0 3 220.272 2.401 20 5 BEBDHN CO[C@H](C)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182428353 385861989 /nfs/dbraw/zinc/86/19/89/385861989.db2.gz BNCARZSGVCFWNJ-NXEZZACHSA-N 0 3 238.287 2.280 20 5 BEBDHN C[C@@H](NCC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000087010521 385982060 /nfs/dbraw/zinc/98/20/60/385982060.db2.gz OCZRLTUJGRHTFN-SECBINFHSA-N 0 3 238.287 2.016 20 5 BEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H]2C(F)F)cc1 ZINC000342213436 385959050 /nfs/dbraw/zinc/95/90/50/385959050.db2.gz NZYQVMTYISWJHO-NXEZZACHSA-N 0 3 242.225 2.338 20 5 BEBDHN CCN(CCOC)Cc1ccc([N+](=O)[O-])cc1 ZINC000299144212 386420103 /nfs/dbraw/zinc/42/01/03/386420103.db2.gz URYXUMRGLQEZIQ-UHFFFAOYSA-N 0 3 238.287 2.063 20 5 BEBDHN CN(CCNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000058938194 386607492 /nfs/dbraw/zinc/60/74/92/386607492.db2.gz AKAMKAJDRKNTLX-UHFFFAOYSA-N 0 3 235.287 2.101 20 5 BEBDHN C[C@@H](NCC[C@H](C)O)c1ccc([N+](=O)[O-])cc1 ZINC000085984299 386696593 /nfs/dbraw/zinc/69/65/93/386696593.db2.gz WOSBGXSEVOKQGP-VHSXEESVSA-N 0 3 238.287 2.016 20 5 BEBDHN Cc1ccc(N[C@@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000168937215 387372500 /nfs/dbraw/zinc/37/25/00/387372500.db2.gz IAWYKTYIYXDRIE-JTQLQIEISA-N 0 3 237.303 2.265 20 5 BEBDHN COC[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000035648658 387381542 /nfs/dbraw/zinc/38/15/42/387381542.db2.gz AZBQHYJGZAFYEJ-SECBINFHSA-N 0 3 238.287 2.028 20 5 BEBDHN CCOCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036228326 387884101 /nfs/dbraw/zinc/88/41/01/387884101.db2.gz JKKLYDSSLRRTKT-SNVBAGLBSA-N 0 3 238.287 2.282 20 5 BEBDHN CC[C@@H](NCCCO)c1cccc([N+](=O)[O-])c1 ZINC000036721137 388257615 /nfs/dbraw/zinc/25/76/15/388257615.db2.gz ROPZYGMCWZBZGD-GFCCVEGCSA-N 0 3 238.287 2.018 20 5 BEBDHN CN(C)CCSc1ccccc1[N+](=O)[O-] ZINC000301589204 388596289 /nfs/dbraw/zinc/59/62/89/388596289.db2.gz CHBAIUMHTYYKHB-UHFFFAOYSA-N 0 3 226.301 2.249 20 5 BEBDHN C[C@@H](NCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000078514720 388681765 /nfs/dbraw/zinc/68/17/65/388681765.db2.gz SJIKPPCFSYXGME-SECBINFHSA-N 0 3 238.287 2.016 20 5 BEBDHN C[C@@H](CF)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329511 388748199 /nfs/dbraw/zinc/74/81/99/388748199.db2.gz IHJLONUJOXFSPP-UWVGGRQHSA-N 0 3 240.278 2.473 20 5 BEBDHN O=[N+]([O-])c1ccc(NCCN2CC=CCC2)cc1 ZINC000280307430 388782543 /nfs/dbraw/zinc/78/25/43/388782543.db2.gz RWVKPPWNRQWBQZ-UHFFFAOYSA-N 0 3 247.298 2.269 20 5 BEBDHN CCCN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351934956 134014190 /nfs/dbraw/zinc/01/41/90/134014190.db2.gz FDUXBBQXTYXBAA-UHFFFAOYSA-N 0 3 238.287 2.445 20 5 BEBDHN CC1CC(NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000158676812 168147274 /nfs/dbraw/zinc/14/72/74/168147274.db2.gz PZXCQPXXPDXJAM-UHFFFAOYSA-N 0 3 220.272 2.483 20 5 BEBDHN CCN1CC[C@H](Oc2ccccc2[N+](=O)[O-])C1 ZINC000090459502 170021898 /nfs/dbraw/zinc/02/18/98/170021898.db2.gz YYINYPJMPZOOKZ-JTQLQIEISA-N 0 3 236.271 2.068 20 5 BEBDHN CCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000336764438 170107427 /nfs/dbraw/zinc/10/74/27/170107427.db2.gz PYGQQFLWAVWKRP-UHFFFAOYSA-N 0 3 208.261 2.439 20 5 BEBDHN CCOCCCNCc1csc([N+](=O)[O-])c1 ZINC000037472326 170381710 /nfs/dbraw/zinc/38/17/10/170381710.db2.gz ASPCJBCKNWZKGG-UHFFFAOYSA-N 0 3 244.316 2.173 20 5 BEBDHN C[C@H]1C[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000052272244 177349880 /nfs/dbraw/zinc/34/98/80/177349880.db2.gz XTHBXAHCYVEIQS-KWQFWETISA-N 0 3 206.245 2.093 20 5 BEBDHN CC(COC(=O)[C@H](C)CC(C)(C)C)[N+](=O)[O-] ZINC000813111941 586593716 /nfs/dbraw/zinc/59/37/16/586593716.db2.gz XYTYHJYJNYMKTP-BDAKNGLRSA-N 0 3 231.292 2.267 20 5 BEBDHN CC[C@@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000835453869 587802924 /nfs/dbraw/zinc/80/29/24/587802924.db2.gz HNOWCUKBRIEUOI-ZJUUUORDSA-N 0 3 231.292 2.267 20 5 BEBDHN COCC(C)(C)NCc1ccccc1[N+](=O)[O-] ZINC000076495651 325346959 /nfs/dbraw/zinc/34/69/59/325346959.db2.gz CRRNCWPMZIPBIX-UHFFFAOYSA-N 0 3 238.287 2.109 20 5 BEBDHN C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000293525755 490269004 /nfs/dbraw/zinc/26/90/04/490269004.db2.gz WLPWHAUABDDJLV-MNOVXSKESA-N 0 3 234.299 2.478 20 5 BEBDHN CC(COC(=O)[C@@H](C)C1CCCC1)[N+](=O)[O-] ZINC000813112463 582589612 /nfs/dbraw/zinc/58/96/12/582589612.db2.gz QHEBXTBRYYHPRW-BDAKNGLRSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)c1ccsc1Cl)[N+](=O)[O-] ZINC000853127877 588721915 /nfs/dbraw/zinc/72/19/15/588721915.db2.gz WAYFDOBGRQPQIH-RXMQYKEDSA-N 0 3 249.675 2.224 20 5 BEBDHN C/C(=C/C(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813104618 582580719 /nfs/dbraw/zinc/58/07/19/582580719.db2.gz FKPYAWCOOQZOSF-JGAIRUGNSA-N 0 3 229.276 2.187 20 5 BEBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])C(C)(C)C ZINC000813104604 582581043 /nfs/dbraw/zinc/58/10/43/582581043.db2.gz PBCBGCAVKBSQDS-ORZBULNSSA-N 0 3 229.276 2.187 20 5 BEBDHN CCCC[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111751 582588946 /nfs/dbraw/zinc/58/89/46/582588946.db2.gz WOPNYHWJSUCCQO-RKDXNWHRSA-N 0 3 217.265 2.021 20 5 BEBDHN CC(COC(=O)[C@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813111037 582587845 /nfs/dbraw/zinc/58/78/45/582587845.db2.gz ATWOASMYDCPDAZ-UTLUCORTSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)CCC1CCCC1)[N+](=O)[O-] ZINC000813112499 582589810 /nfs/dbraw/zinc/58/98/10/582589810.db2.gz QTCXJOXJGFUHIK-SECBINFHSA-N 0 3 229.276 2.165 20 5 BEBDHN Cc1ccc(C[C@@H]2CCCN2CC[N+](=O)[O-])cc1 ZINC000791053002 583385442 /nfs/dbraw/zinc/38/54/42/583385442.db2.gz RLDMPECOHVSBNG-AWEZNQCLSA-N 0 3 248.326 2.279 20 5 BEBDHN CCCCCC[C@H](C)NCC[N+](=O)[O-] ZINC000899858826 584242421 /nfs/dbraw/zinc/24/24/21/584242421.db2.gz CKFHSVCSRQYSFS-JTQLQIEISA-N 0 3 202.298 2.212 20 5 BEBDHN O=[N+]([O-])CCNCC1(c2ccccc2)CCCC1 ZINC000899865302 584245626 /nfs/dbraw/zinc/24/56/26/584245626.db2.gz QAWGQELIGMRESZ-UHFFFAOYSA-N 0 3 248.326 2.365 20 5 BEBDHN CC(C)[C@@H]1N(CC[N+](=O)[O-])CC12CCCC2 ZINC000899888189 584247485 /nfs/dbraw/zinc/24/74/85/584247485.db2.gz ZDHAIZDTISGECQ-NSHDSACASA-N 0 3 226.320 2.164 20 5 BEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@H]3C[C@@H]32)c1 ZINC000761095424 585408640 /nfs/dbraw/zinc/40/86/40/585408640.db2.gz OYRKNLDTQWBZOS-MFKMUULPSA-N 0 3 248.282 2.068 20 5 BEBDHN C[C@@H]1CN(C)[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000774536839 585660977 /nfs/dbraw/zinc/66/09/77/585660977.db2.gz MWYQZOTVDSARTG-WDEREUQCSA-N 0 3 249.314 2.124 20 5 BEBDHN C[C@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000774536806 585660985 /nfs/dbraw/zinc/66/09/85/585660985.db2.gz MPLOWHRSQOOCON-QWRGUYRKSA-N 0 3 249.314 2.124 20 5 BEBDHN CC(COC(=O)CC1CCCCC1)[N+](=O)[O-] ZINC000813101449 586591931 /nfs/dbraw/zinc/59/19/31/586591931.db2.gz AMDDYPUSSHUDBD-VIFPVBQESA-N 0 3 229.276 2.165 20 5 BEBDHN CC(COC(=O)CC1CCCCC1)[N+](=O)[O-] ZINC000813101448 586592130 /nfs/dbraw/zinc/59/21/30/586592130.db2.gz AMDDYPUSSHUDBD-SECBINFHSA-N 0 3 229.276 2.165 20 5 BEBDHN CC(COC(=O)CC1(C)CCCC1)[N+](=O)[O-] ZINC000813104883 586592426 /nfs/dbraw/zinc/59/24/26/586592426.db2.gz SOPBUDQNQKMMDP-SECBINFHSA-N 0 3 229.276 2.165 20 5 BEBDHN CCCc1occc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813106157 586592949 /nfs/dbraw/zinc/59/29/49/586592949.db2.gz ZPRRCWHDTNYMKE-QMMMGPOBSA-N 0 3 241.243 2.054 20 5 BEBDHN CC(COC(=O)C1CCC(C)(C)CC1)[N+](=O)[O-] ZINC000813108066 586593053 /nfs/dbraw/zinc/59/30/53/586593053.db2.gz UUFYUAYPPRNRNU-VIFPVBQESA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)[C@H](C)c1cccs1)[N+](=O)[O-] ZINC000813109812 586593265 /nfs/dbraw/zinc/59/32/65/586593265.db2.gz PLYMDYBNUJELLK-HTQZYQBOSA-N 0 3 243.284 2.060 20 5 BEBDHN CCCCSCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813110475 586593760 /nfs/dbraw/zinc/59/37/60/586593760.db2.gz BLJCRGFZQMXEOR-SECBINFHSA-N 0 3 249.332 2.118 20 5 BEBDHN CC(COC(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813113002 586593832 /nfs/dbraw/zinc/59/38/32/586593832.db2.gz NNZMGRASOCLKCA-SSDOTTSWSA-N 0 3 243.646 2.162 20 5 BEBDHN CC(COC(=O)[C@@H]1CCCC1(C)C)[N+](=O)[O-] ZINC000813113815 586594117 /nfs/dbraw/zinc/59/41/17/586594117.db2.gz JKSMTCFRYIAMHC-IUCAKERBSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)C[C@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000813115207 586594227 /nfs/dbraw/zinc/59/42/27/586594227.db2.gz MVYVNMRIJHDVDP-GMTAPVOTSA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)c1ccc(Cl)s1)[N+](=O)[O-] ZINC000813114994 586594254 /nfs/dbraw/zinc/59/42/54/586594254.db2.gz IQDNEZCVAFRQFC-RXMQYKEDSA-N 0 3 249.675 2.224 20 5 BEBDHN C[C@@H](N[C@H]1CC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818355846 586888199 /nfs/dbraw/zinc/88/81/99/586888199.db2.gz JUSHDMXNUGSXRD-PELKAZGASA-N 0 3 247.298 2.380 20 5 BEBDHN CCC[C@@H]1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000835454420 587803182 /nfs/dbraw/zinc/80/31/82/587803182.db2.gz JMICDMDZGMKDIW-GMTAPVOTSA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)[C@H]1CC[C@@H](C)[C@@H](C)C1)[N+](=O)[O-] ZINC000835457090 587803351 /nfs/dbraw/zinc/80/33/51/587803351.db2.gz WTDCAOLBEQFAQO-YTWAJWBKSA-N 0 3 243.303 2.267 20 5 BEBDHN CC(=O)O[C@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845872512 588249357 /nfs/dbraw/zinc/24/93/57/588249357.db2.gz ISNNYTLHRUNGST-HQJQHLMTSA-N 0 3 241.218 2.095 20 5 BEBDHN CCCC[C@](C)(F)C(=O)OCC(C)[N+](=O)[O-] ZINC000851035948 588585506 /nfs/dbraw/zinc/58/55/06/588585506.db2.gz ACPPUAZBWHKFEB-SCZZXKLOSA-N 0 3 235.255 2.113 20 5 BEBDHN CC1=CC[C@@](C)(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000851036564 588585543 /nfs/dbraw/zinc/58/55/43/588585543.db2.gz KLGUPGAWLRVFRC-CMPLNLGQSA-N 0 3 241.287 2.331 20 5 BEBDHN CCC[C@@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000873532874 590054680 /nfs/dbraw/zinc/05/46/80/590054680.db2.gz ORMZFLNLPQXFAC-RKDXNWHRSA-N 0 3 217.265 2.021 20 5 BEBDHN Cc1c(CN2C[C@@H]3C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000877649612 590384211 /nfs/dbraw/zinc/38/42/11/590384211.db2.gz CEJFTNQYNACWPD-TXEJJXNPSA-N 0 3 232.283 2.355 20 5 BEBDHN C[C@@H]1CCC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886169833 592168608 /nfs/dbraw/zinc/16/86/08/592168608.db2.gz JPBIENYNCAIGIQ-KOLCDFICSA-N 0 3 235.287 2.268 20 5 BEBDHN CC(C)[C@H](NCC[N+](=O)[O-])c1ccccc1 ZINC000309393893 632022273 /nfs/dbraw/zinc/02/22/73/632022273.db2.gz UYRXWVFVGQHANN-LBPRGKRZSA-N 0 3 222.288 2.250 20 5 BEBDHN C[C@@]1(c2ccccc2)CCCN1CC[N+](=O)[O-] ZINC000931693659 640319896 /nfs/dbraw/zinc/31/98/96/640319896.db2.gz DXRNLWXRLRFPDN-ZDUSSCGKSA-N 0 3 234.299 2.274 20 5 BEBDHN C[C@H](CCO)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000098005682 642654857 /nfs/dbraw/zinc/65/48/57/642654857.db2.gz RPDUIOABVBVSFC-NXEZZACHSA-N 0 3 238.287 2.016 20 5 BEBDHN C[C@@H]1CCN(CC[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000929260201 646042797 /nfs/dbraw/zinc/04/27/97/646042797.db2.gz VIZKDHIOWGMACQ-IJLUTSLNSA-N 0 3 226.320 2.164 20 5 BEBDHN CCN1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000712606672 712437489 /nfs/dbraw/zinc/43/74/89/712437489.db2.gz NPOXZIQANOULMO-GFCCVEGCSA-N 0 3 249.314 2.409 20 5 BEBDHN Cn1ccnc1Nc1cccc([N+](=O)[O-])c1 ZINC001204407851 966991034 /nfs/dbraw/zinc/99/10/34/966991034.db2.gz UXEZMTDEOBKSAP-UHFFFAOYSA-N 0 3 218.216 2.072 20 5 BEBDHN Cc1ncc(Nc2cccc([N+](=O)[O-])c2)n1C ZINC001204450667 967000816 /nfs/dbraw/zinc/00/08/16/967000816.db2.gz SSQNOSCFMSHTEJ-UHFFFAOYSA-N 0 3 232.243 2.380 20 5 BEBDHN CC(COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)[N+](=O)[O-] ZINC001346122953 980759573 /nfs/dbraw/zinc/75/95/73/980759573.db2.gz HDPJSCNXHMICDB-VPOLOUISSA-N 0 3 241.287 2.021 20 5 BEBDHN Cc1ccc([C@@H]2C[C@@H](C)N(CC[N+](=O)[O-])C2)cc1 ZINC001262277779 992832105 /nfs/dbraw/zinc/83/21/05/992832105.db2.gz OGJOJTIAJIGJAA-TZMCWYRMSA-N 0 3 248.326 2.450 20 5 BEBDHN Cc1ccc([C@H]2C[C@@H](C)N(CC[N+](=O)[O-])C2)cc1 ZINC001262277778 992834337 /nfs/dbraw/zinc/83/43/37/992834337.db2.gz OGJOJTIAJIGJAA-OCCSQVGLSA-N 0 3 248.326 2.450 20 5 BEBDHN Cc1cc([N+](=O)[O-])ccc1NCCN(C)C1CC1 ZINC000062010351 178272564 /nfs/dbraw/zinc/27/25/64/178272564.db2.gz ZIWYKEZSZICVPF-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN O=[N+]([O-])c1ccccc1CN1C[C@@H]2C[C@@H]2C1 ZINC000600185337 342698110 /nfs/dbraw/zinc/69/81/10/342698110.db2.gz LFDLGFUDROYOOT-PHIMTYICSA-N 0 3 218.256 2.047 20 5 BEBDHN CN(CCN(C)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000274478826 398312348 /nfs/dbraw/zinc/31/23/48/398312348.db2.gz NSQLMTKZIOANFI-UHFFFAOYSA-N 0 3 249.314 2.125 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCN2C)c1 ZINC000228763610 398326981 /nfs/dbraw/zinc/32/69/81/398326981.db2.gz QWIQGJLKHPKWTD-LLVKDONJSA-N 0 3 249.314 2.409 20 5 BEBDHN CC1(C)C[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000045116679 343523685 /nfs/dbraw/zinc/52/36/85/343523685.db2.gz OJPCHSPUOSPJOW-NSHDSACASA-N 0 3 220.272 2.483 20 5 BEBDHN CC1CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602637908 343879913 /nfs/dbraw/zinc/87/99/13/343879913.db2.gz JDMYWHVXCRVYOE-UHFFFAOYSA-N 0 3 220.272 2.089 20 5 BEBDHN O=[N+]([O-])c1ccccc1N[C@H]1CCN(C2CC2)C1 ZINC000044411801 345058628 /nfs/dbraw/zinc/05/86/28/345058628.db2.gz PBLLOKOARCYSPG-JTQLQIEISA-N 0 3 247.298 2.243 20 5 BEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1[C@@H]2CCC[C@@H]21 ZINC000594983691 348164913 /nfs/dbraw/zinc/16/49/13/348164913.db2.gz BVZXNKQVFXDELB-PJXYFTJBSA-N 0 3 232.283 2.483 20 5 BEBDHN CO[C@@H](C)CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000272820853 188376778 /nfs/dbraw/zinc/37/67/78/188376778.db2.gz PCAXCRJBIOWGDM-JTQLQIEISA-N 0 3 238.287 2.062 20 5 BEBDHN C[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000090795059 360089499 /nfs/dbraw/zinc/08/94/99/360089499.db2.gz GWHFYDWMNAZFDJ-WDEREUQCSA-N 0 3 249.314 2.489 20 5 BEBDHN COCCCN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000066378654 361218250 /nfs/dbraw/zinc/21/82/50/361218250.db2.gz JGVKHWBQSWSKHM-UHFFFAOYSA-N 0 3 238.287 2.063 20 5 BEBDHN O=[N+]([O-])c1ccccc1CNCC1CCC1 ZINC000037179578 361721277 /nfs/dbraw/zinc/72/12/77/361721277.db2.gz VMOVCYREDAFLGR-UHFFFAOYSA-N 0 3 220.272 2.485 20 5 BEBDHN CC[C@@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124408678 371187627 /nfs/dbraw/zinc/18/76/27/371187627.db2.gz LITRYCCUMIVBSC-JOYOIKCWSA-N 0 3 238.287 2.016 20 5 BEBDHN O=[N+]([O-])c1ccccc1N[C@@H]1CN2CCC1CC2 ZINC000021818940 371496701 /nfs/dbraw/zinc/49/67/01/371496701.db2.gz OQALBAQZJPXPDH-GFCCVEGCSA-N 0 3 247.298 2.101 20 5 BEBDHN CC[C@@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163922352 372078716 /nfs/dbraw/zinc/07/87/16/372078716.db2.gz NQLKSZNGIZUAAF-JOYOIKCWSA-N 0 3 238.287 2.016 20 5 BEBDHN CCN(C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000288376257 383877228 /nfs/dbraw/zinc/87/72/28/383877228.db2.gz KBTJNPNRAOPXDJ-UHFFFAOYSA-N 0 3 241.266 2.098 20 5 BEBDHN CN(C)CCSCc1cccc([N+](=O)[O-])c1 ZINC000339743276 384011578 /nfs/dbraw/zinc/01/15/78/384011578.db2.gz RLCCMHXZVDQVEV-UHFFFAOYSA-N 0 3 240.328 2.390 20 5 BEBDHN CS[C@@H](C)CNCc1cccc([N+](=O)[O-])c1 ZINC000128006060 384078958 /nfs/dbraw/zinc/07/89/58/384078958.db2.gz WYBXSJREBNWEPN-VIFPVBQESA-N 0 3 240.328 2.436 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(NCCN(C)C2CC2)c1 ZINC000084726527 384864968 /nfs/dbraw/zinc/86/49/68/384864968.db2.gz WKRIMIWFZYSQDM-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN C[C@@H]1C[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000136336699 385030229 /nfs/dbraw/zinc/03/02/29/385030229.db2.gz SEEAPPSVHOWGPC-APPZFPTMSA-N 0 3 226.301 2.402 20 5 BEBDHN CO[C@@H](C)CCNCc1csc([N+](=O)[O-])c1 ZINC000263815758 385147874 /nfs/dbraw/zinc/14/78/74/385147874.db2.gz OKCRKLGFYBHKCT-QMMMGPOBSA-N 0 3 244.316 2.171 20 5 BEBDHN O=[N+]([O-])c1cnc2c(c1)CN(CC1CCC1)CC2 ZINC000408200147 385627389 /nfs/dbraw/zinc/62/73/89/385627389.db2.gz ZYBCGMUNLIPBOI-UHFFFAOYSA-N 0 3 247.298 2.148 20 5 BEBDHN C[C@@H]1C[C@@H]1NCc1csc([N+](=O)[O-])c1 ZINC000052274888 385715395 /nfs/dbraw/zinc/71/53/95/385715395.db2.gz QTNSGVYJZXCDOS-SVRRBLITSA-N 0 3 212.274 2.154 20 5 BEBDHN CO[C@@H](C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191201006 387355048 /nfs/dbraw/zinc/35/50/48/387355048.db2.gz DRKDRVXXIUCKCJ-VHSXEESVSA-N 0 3 238.287 2.280 20 5 BEBDHN C[C@@H](CN(C)C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000169024029 387381497 /nfs/dbraw/zinc/38/14/97/387381497.db2.gz YWGZIMGQYMKNTA-QMMMGPOBSA-N 0 3 241.266 2.096 20 5 BEBDHN CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000046601511 388034550 /nfs/dbraw/zinc/03/45/50/388034550.db2.gz NNBJLYQRYZENSD-UHFFFAOYSA-N 0 3 206.245 2.189 20 5 BEBDHN CC[C@@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177149 388191540 /nfs/dbraw/zinc/19/15/40/388191540.db2.gz BWOPKIMENZYADG-ONGXEEELSA-N 0 3 238.287 2.016 20 5 BEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@H](C)CF ZINC000449329513 388747578 /nfs/dbraw/zinc/74/75/78/388747578.db2.gz IHJLONUJOXFSPP-ZJUUUORDSA-N 0 3 240.278 2.473 20 5 BEBDHN O=[N+]([O-])c1ccc(CNC2CC(F)(F)C2)cc1 ZINC000277750372 388749903 /nfs/dbraw/zinc/74/99/03/388749903.db2.gz WEYWPRFFRJPWMF-UHFFFAOYSA-N 0 3 242.225 2.482 20 5 BEBDHN CN(C)CCSc1sccc1[N+](=O)[O-] ZINC000302022473 388835705 /nfs/dbraw/zinc/83/57/05/388835705.db2.gz OMAWOIGWNBEYMX-UHFFFAOYSA-N 0 3 232.330 2.310 20 5 BEBDHN CC1CC(NCc2ccccc2[N+](=O)[O-])C1 ZINC000128864675 168146984 /nfs/dbraw/zinc/14/69/84/168146984.db2.gz OVKYSTXDULJMKU-UHFFFAOYSA-N 0 3 220.272 2.483 20 5 BEBDHN CC[C@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000164200179 411490348 /nfs/dbraw/zinc/49/03/48/411490348.db2.gz DNMXOIOXJDLMNI-UWVGGRQHSA-N 0 3 238.287 2.016 20 5 BEBDHN CCOCCCNCc1ccccc1[N+](=O)[O-] ZINC000020054975 170381937 /nfs/dbraw/zinc/38/19/37/170381937.db2.gz QAQUCCLWPCEKFV-UHFFFAOYSA-N 0 3 238.287 2.111 20 5 BEBDHN CCOCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000037269090 170413237 /nfs/dbraw/zinc/41/32/37/170413237.db2.gz LKBANWQUSKORMB-UHFFFAOYSA-N 0 3 238.287 2.029 20 5 BEBDHN CN1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000221258736 173033032 /nfs/dbraw/zinc/03/30/32/173033032.db2.gz OHBHGKFFVGEVQS-GFCCVEGCSA-N 0 3 235.287 2.101 20 5 BEBDHN CO[C@H](C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191200989 174834801 /nfs/dbraw/zinc/83/48/01/174834801.db2.gz DRKDRVXXIUCKCJ-ZJUUUORDSA-N 0 3 238.287 2.280 20 5 BEBDHN COc1ccc([N+](=O)[O-])cc1CNC(C)C ZINC000036883037 175201178 /nfs/dbraw/zinc/20/11/78/175201178.db2.gz KBWFFXRBPOURJI-UHFFFAOYSA-N 0 3 224.260 2.101 20 5 BEBDHN C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000299643828 177165300 /nfs/dbraw/zinc/16/53/00/177165300.db2.gz NJFDFCXWRSHFIL-JTQLQIEISA-N 0 3 220.272 2.437 20 5 BEBDHN C[C@H]1C[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000052274894 177386307 /nfs/dbraw/zinc/38/63/07/177386307.db2.gz QTNSGVYJZXCDOS-POYBYMJQSA-N 0 3 212.274 2.154 20 5 BEBDHN O=[N+]([O-])c1ccc(CNCC2=CCOCC2)cc1 ZINC000397761812 323091813 /nfs/dbraw/zinc/09/18/13/323091813.db2.gz LATVXWZYPAMJOL-UHFFFAOYSA-N 0 3 248.282 2.031 20 5 BEBDHN CC(COC(=O)/C=C/C1CCCCC1)[N+](=O)[O-] ZINC000813107914 582585161 /nfs/dbraw/zinc/58/51/61/582585161.db2.gz YVBFYXMJMHSOCH-QROSGCPLSA-N 0 3 241.287 2.331 20 5 BEBDHN CC[C@H]1CC[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000813111892 582588958 /nfs/dbraw/zinc/58/89/58/582588958.db2.gz XQVXNVSVCZHKTD-DCAQKATOSA-N 0 3 243.303 2.411 20 5 BEBDHN CCCC[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111748 582588963 /nfs/dbraw/zinc/58/89/63/582588963.db2.gz WOPNYHWJSUCCQO-BDAKNGLRSA-N 0 3 217.265 2.021 20 5 BEBDHN C/C=C\CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858538315 588963543 /nfs/dbraw/zinc/96/35/43/588963543.db2.gz TVVCQRCILLEMOI-ZBJFTSOASA-N 0 3 235.287 2.404 20 5 BEBDHN CC(COC(=O)C1=CCC(C)(C)CC1)[N+](=O)[O-] ZINC000835456167 584926192 /nfs/dbraw/zinc/92/61/92/584926192.db2.gz SCCWGZDDYLXLDF-VIFPVBQESA-N 0 3 241.287 2.331 20 5 BEBDHN CC(COC(=O)C1CC(C(C)(C)C)C1)[N+](=O)[O-] ZINC000838964326 585082662 /nfs/dbraw/zinc/08/26/62/585082662.db2.gz HQCLMBVIQNMONW-IDKOKCKLSA-N 0 3 243.303 2.267 20 5 BEBDHN O=[N+]([O-])CCN1CCSC2(CCCCC2)C1 ZINC000791052113 585972775 /nfs/dbraw/zinc/97/27/75/585972775.db2.gz LLZDDKJSFNOWDQ-UHFFFAOYSA-N 0 3 244.360 2.015 20 5 BEBDHN C[C@@H](NCC[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000791054669 585973258 /nfs/dbraw/zinc/97/32/58/585973258.db2.gz NUFWWINYAPKHSU-LLVKDONJSA-N 0 3 236.315 2.219 20 5 BEBDHN Cc1scc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813099885 586591818 /nfs/dbraw/zinc/59/18/18/586591818.db2.gz GAYUHRJYJNILNK-ZCFIWIBFSA-N 0 3 243.284 2.187 20 5 BEBDHN CC(COC(=O)[C@H](C)c1ccsc1)[N+](=O)[O-] ZINC000813102624 586591998 /nfs/dbraw/zinc/59/19/98/586591998.db2.gz UCCLKQHVZGFPFX-HTQZYQBOSA-N 0 3 243.284 2.060 20 5 BEBDHN CCC(CC)[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102617 586592047 /nfs/dbraw/zinc/59/20/47/586592047.db2.gz TVWBEMGCTRMGRD-DTWKUNHWSA-N 0 3 231.292 2.267 20 5 BEBDHN CC(COC(=O)[C@@H]1CCC(C)(C)C1)[N+](=O)[O-] ZINC000813104613 586592494 /nfs/dbraw/zinc/59/24/94/586592494.db2.gz FKKQYMIVDCCCPS-DTWKUNHWSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)[C@H]1CCC(C)(C)C1)[N+](=O)[O-] ZINC000813104614 586592524 /nfs/dbraw/zinc/59/25/24/586592524.db2.gz FKKQYMIVDCCCPS-IUCAKERBSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)[C@H](C)c1cccs1)[N+](=O)[O-] ZINC000813109813 586593025 /nfs/dbraw/zinc/59/30/25/586593025.db2.gz PLYMDYBNUJELLK-JGVFFNPUSA-N 0 3 243.284 2.060 20 5 BEBDHN CCC(C)(C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813109248 586593181 /nfs/dbraw/zinc/59/31/81/586593181.db2.gz QFHRJBOCLJTDMI-QMMMGPOBSA-N 0 3 217.265 2.021 20 5 BEBDHN CCC[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112341 586593471 /nfs/dbraw/zinc/59/34/71/586593471.db2.gz FRYDRWRVLQOSAW-DTWKUNHWSA-N 0 3 217.265 2.021 20 5 BEBDHN CC(COC(=O)CCCC(C)(C)C)[N+](=O)[O-] ZINC000813115705 586593481 /nfs/dbraw/zinc/59/34/81/586593481.db2.gz YFMMOKMBRRUSKR-VIFPVBQESA-N 0 3 231.292 2.411 20 5 BEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])sc1C ZINC000813112442 586593639 /nfs/dbraw/zinc/59/36/39/586593639.db2.gz HFKLOZGFOPMAJW-ZETCQYMHSA-N 0 3 243.284 2.187 20 5 BEBDHN Cc1cc(C)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112089 586593651 /nfs/dbraw/zinc/59/36/51/586593651.db2.gz NKHBMUATHPTTKR-JTQLQIEISA-N 0 3 237.255 2.125 20 5 BEBDHN CC(COC(=O)[C@@H]1CCCCC1(C)C)[N+](=O)[O-] ZINC000813110692 586593667 /nfs/dbraw/zinc/59/36/67/586593667.db2.gz HOELKJFRLXYYQY-ZJUUUORDSA-N 0 3 243.303 2.411 20 5 BEBDHN C[C@@H](N[C@@H]1CC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818355847 586888604 /nfs/dbraw/zinc/88/86/04/586888604.db2.gz JUSHDMXNUGSXRD-PRHODGIISA-N 0 3 247.298 2.380 20 5 BEBDHN CC(COC(=O)[C@@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000821167843 587100048 /nfs/dbraw/zinc/10/00/48/587100048.db2.gz YZQVPEODVCCSQK-KXUCPTDWSA-N 0 3 229.276 2.021 20 5 BEBDHN CCC[C@@H]1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000835454422 587803041 /nfs/dbraw/zinc/80/30/41/587803041.db2.gz JMICDMDZGMKDIW-HBNTYKKESA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)[C@@]1(C)CCC[C@@H]1C)[N+](=O)[O-] ZINC000835455084 587803136 /nfs/dbraw/zinc/80/31/36/587803136.db2.gz MJSFZRBULZKESO-NGZCFLSTSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)[C@]1(C)CCC[C@H]1C)[N+](=O)[O-] ZINC000835455079 587803139 /nfs/dbraw/zinc/80/31/39/587803139.db2.gz MJSFZRBULZKESO-FXPVBKGRSA-N 0 3 229.276 2.021 20 5 BEBDHN C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCF ZINC000866352772 589487870 /nfs/dbraw/zinc/48/78/70/589487870.db2.gz LWIUYABSKYAYME-QMMMGPOBSA-N 0 3 244.241 2.224 20 5 BEBDHN O=[N+]([O-])c1ncccc1CN1CC[C@H](C2CC2)C1 ZINC000886097936 592147298 /nfs/dbraw/zinc/14/72/98/592147298.db2.gz HACYOFQUCNQBPB-NSHDSACASA-N 0 3 247.298 2.222 20 5 BEBDHN O=[N+]([O-])c1ncccc1CN[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000886243457 592184755 /nfs/dbraw/zinc/18/47/55/592184755.db2.gz ZJWVZSIQNAJIHQ-USWWRNFRSA-N 0 3 247.298 2.268 20 5 BEBDHN C[C@H]1[C@@H](C)N(Cc2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000886249097 592185267 /nfs/dbraw/zinc/18/52/67/592185267.db2.gz CPNULRMKQKUDFC-GMTAPVOTSA-N 0 3 249.314 2.466 20 5 BEBDHN C[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000886249100 592185373 /nfs/dbraw/zinc/18/53/73/592185373.db2.gz CPNULRMKQKUDFC-VWYCJHECSA-N 0 3 249.314 2.466 20 5 BEBDHN O=[N+]([O-])CCN[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000905242210 637726299 /nfs/dbraw/zinc/72/62/99/637726299.db2.gz AYQFHFLSCHAZQA-WDEREUQCSA-N 0 3 240.690 2.062 20 5 BEBDHN CN(CCCF)Cc1cccc([N+](=O)[O-])c1 ZINC000766846348 644671172 /nfs/dbraw/zinc/67/11/72/644671172.db2.gz SSLWUXIAIQYUEU-UHFFFAOYSA-N 0 3 226.251 2.386 20 5 BEBDHN Cc1ccc(CNC2CSC2)cc1[N+](=O)[O-] ZINC000701973079 712033722 /nfs/dbraw/zinc/03/37/22/712033722.db2.gz MOCILJKTKRAADX-UHFFFAOYSA-N 0 3 238.312 2.108 20 5 BEBDHN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@@H]1C ZINC000719622502 712817412 /nfs/dbraw/zinc/81/74/12/712817412.db2.gz FTJQZEHSAYWDRS-GHMZBOCLSA-N 0 3 249.314 2.408 20 5 BEBDHN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCN(C)[C@H]1C ZINC000719622505 712817614 /nfs/dbraw/zinc/81/76/14/712817614.db2.gz FTJQZEHSAYWDRS-WDEREUQCSA-N 0 3 249.314 2.408 20 5 BEBDHN Cc1ncc(Nc2ccc([N+](=O)[O-])cc2)n1C ZINC001174477582 976795528 /nfs/dbraw/zinc/79/55/28/976795528.db2.gz QBFVNFQLDFWFQQ-UHFFFAOYSA-N 0 3 232.243 2.380 20 5 BEBDHN Cc1cc(NC[C@@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000221254575 178166580 /nfs/dbraw/zinc/16/65/80/178166580.db2.gz NEHSJNRQNTUSPN-LBPRGKRZSA-N 0 3 249.314 2.409 20 5 BEBDHN CN(CCNc1sccc1[N+](=O)[O-])C1CC1 ZINC000309622251 342755970 /nfs/dbraw/zinc/75/59/70/342755970.db2.gz FODBEDCADXQWFC-UHFFFAOYSA-N 0 3 241.316 2.162 20 5 BEBDHN CSCCCNCc1cccc([N+](=O)[O-])c1 ZINC000039311618 398329397 /nfs/dbraw/zinc/32/93/97/398329397.db2.gz SUHCZAPHWZQAEG-UHFFFAOYSA-N 0 3 240.328 2.438 20 5 BEBDHN CC1(C)C[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000045116681 343524094 /nfs/dbraw/zinc/52/40/94/343524094.db2.gz OJPCHSPUOSPJOW-LLVKDONJSA-N 0 3 220.272 2.483 20 5 BEBDHN CCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000047701562 343565176 /nfs/dbraw/zinc/56/51/76/343565176.db2.gz RDVLYQQNUNDVEI-UHFFFAOYSA-N 0 3 208.261 2.437 20 5 BEBDHN CSCCNCc1ccccc1[N+](=O)[O-] ZINC000070184127 345453849 /nfs/dbraw/zinc/45/38/49/345453849.db2.gz YBVVNAONIDSLJN-UHFFFAOYSA-N 0 3 226.301 2.047 20 5 BEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCCF ZINC000449303568 201862206 /nfs/dbraw/zinc/86/22/06/201862206.db2.gz YMTQZUMJPRZWOH-VIFPVBQESA-N 0 3 226.251 2.085 20 5 BEBDHN COCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152119571 323128053 /nfs/dbraw/zinc/12/80/53/323128053.db2.gz CAQUVNNAXUHUTK-JTQLQIEISA-N 0 3 238.287 2.200 20 5 BEBDHN CN(C)C1(CNc2sccc2[N+](=O)[O-])CC1 ZINC000591370636 347654694 /nfs/dbraw/zinc/65/46/94/347654694.db2.gz OYHKAHCQWBTPIV-UHFFFAOYSA-N 0 3 241.316 2.162 20 5 BEBDHN C/C=C\CNCc1ccc([N+](=O)[O-])cc1 ZINC000308772869 348552014 /nfs/dbraw/zinc/55/20/14/348552014.db2.gz IWQZXUMUOFCDAY-IHWYPQMZSA-N 0 3 206.245 2.261 20 5 BEBDHN C[C@H]1C[C@H]1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599354433 349164717 /nfs/dbraw/zinc/16/47/17/349164717.db2.gz VPVXOSWSMLFGAV-UWVGGRQHSA-N 0 3 247.298 2.004 20 5 BEBDHN C[C@@H]1[C@@H](Nc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343454562 350970948 /nfs/dbraw/zinc/97/09/48/350970948.db2.gz IOIIAXKYKKVRJN-MNOVXSKESA-N 0 3 249.314 2.489 20 5 BEBDHN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343569856 350976308 /nfs/dbraw/zinc/97/63/08/350976308.db2.gz YTPRUKHHKREOLF-MFKMUULPSA-N 0 3 249.314 2.489 20 5 BEBDHN CCN(CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351971123 134024875 /nfs/dbraw/zinc/02/48/75/134024875.db2.gz PHVGKNPGCDFTOL-UHFFFAOYSA-N 0 3 238.287 2.445 20 5 BEBDHN CCC[C@@H]1CNCCN1c1ccccc1[N+](=O)[O-] ZINC000420240452 192183944 /nfs/dbraw/zinc/18/39/44/192183944.db2.gz URBJLIRTTKYSHH-LLVKDONJSA-N 0 3 249.314 2.173 20 5 BEBDHN O=[N+]([O-])c1ccccc1NCCN1CCCCC1 ZINC000035994340 360534352 /nfs/dbraw/zinc/53/43/52/360534352.db2.gz YYSFTJUSBPQXKQ-UHFFFAOYSA-N 0 3 249.314 2.493 20 5 BEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CCSC2)cc1 ZINC000037668266 364461629 /nfs/dbraw/zinc/46/16/29/364461629.db2.gz KHICAKIMOFQTMI-JTQLQIEISA-N 0 3 238.312 2.190 20 5 BEBDHN COC[C@H](C)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000193898467 367225536 /nfs/dbraw/zinc/22/55/36/367225536.db2.gz HJLJGJUPRNGRSH-JTQLQIEISA-N 0 3 238.287 2.062 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)N[C@@H](C)C2)c1 ZINC000094659269 369464630 /nfs/dbraw/zinc/46/46/30/369464630.db2.gz GLUPYAZZOMFPLB-PHIMTYICSA-N 0 3 249.314 2.090 20 5 BEBDHN Cc1c(CNC2CSC2)cccc1[N+](=O)[O-] ZINC000309909564 370274787 /nfs/dbraw/zinc/27/47/87/370274787.db2.gz LUBFGAJLCNDZSW-UHFFFAOYSA-N 0 3 238.312 2.108 20 5 BEBDHN COC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000350097039 371554351 /nfs/dbraw/zinc/55/43/51/371554351.db2.gz LARFELRSDVYKNM-SNVBAGLBSA-N 0 3 238.287 2.028 20 5 BEBDHN CC1(C)CN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602752348 371838680 /nfs/dbraw/zinc/83/86/80/371838680.db2.gz VBNKJDJDCFYWAP-UHFFFAOYSA-N 0 3 234.299 2.479 20 5 BEBDHN C[C@@H](CN(C)CC[N+](=O)[O-])C1CCCCC1 ZINC001644109506 1172526805 /nfs/dbraw/zinc/52/68/05/1172526805.db2.gz RJESSJLPYQERHN-NSHDSACASA-N 0 3 228.336 2.411 20 5 BEBDHN CCSCCNCc1ccc([N+](=O)[O-])cc1 ZINC000164832623 384201772 /nfs/dbraw/zinc/20/17/72/384201772.db2.gz NLUCJIYQFMOIBS-UHFFFAOYSA-N 0 3 240.328 2.438 20 5 BEBDHN CC[C@H](CNCc1ccc([N+](=O)[O-])cc1)OC ZINC000289807643 384472409 /nfs/dbraw/zinc/47/24/09/384472409.db2.gz MQUADALYZSKYPY-GFCCVEGCSA-N 0 3 238.287 2.109 20 5 BEBDHN C[C@@H](NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000020083128 384575594 /nfs/dbraw/zinc/57/55/94/384575594.db2.gz QEPKZXAERBXQOO-MRVPVSSYSA-N 0 3 206.245 2.408 20 5 BEBDHN C[C@@H](CCO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000098005651 384581228 /nfs/dbraw/zinc/58/12/28/384581228.db2.gz MZPQHGRQDJKGOM-UWVGGRQHSA-N 0 3 238.287 2.016 20 5 BEBDHN O=[N+]([O-])c1cc(CNC2CCC2)cs1 ZINC000052208653 385244686 /nfs/dbraw/zinc/24/46/86/385244686.db2.gz GWQFDWNLXYFIML-UHFFFAOYSA-N 0 3 212.274 2.298 20 5 BEBDHN CO[C@@H](C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191200972 387354309 /nfs/dbraw/zinc/35/43/09/387354309.db2.gz DRKDRVXXIUCKCJ-UWVGGRQHSA-N 0 3 238.287 2.280 20 5 BEBDHN CO[C@@H](C)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000191204160 387354698 /nfs/dbraw/zinc/35/46/98/387354698.db2.gz WUPVXSQXHCVWTB-JTQLQIEISA-N 0 3 238.287 2.028 20 5 BEBDHN CO[C@@H](C)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000130038918 387435528 /nfs/dbraw/zinc/43/55/28/387435528.db2.gz XQYBSTIZULXJAM-ZJUUUORDSA-N 0 3 238.287 2.108 20 5 BEBDHN COCCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152119857 387601863 /nfs/dbraw/zinc/60/18/63/387601863.db2.gz FCCMATPHBLHMTN-SNVBAGLBSA-N 0 3 238.287 2.200 20 5 BEBDHN CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046602451 387753797 /nfs/dbraw/zinc/75/37/97/387753797.db2.gz MOOKDSMLZAAMOL-UHFFFAOYSA-N 0 3 206.245 2.189 20 5 BEBDHN CC[C@@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177151 388191292 /nfs/dbraw/zinc/19/12/92/388191292.db2.gz BWOPKIMENZYADG-KOLCDFICSA-N 0 3 238.287 2.016 20 5 BEBDHN CO[C@@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000163251449 388374222 /nfs/dbraw/zinc/37/42/22/388374222.db2.gz WSCCFEFJXKNLBW-ZJUUUORDSA-N 0 3 238.287 2.108 20 5 BEBDHN CC[C@H](O)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124408504 388747408 /nfs/dbraw/zinc/74/74/08/388747408.db2.gz LITRYCCUMIVBSC-CABZTGNLSA-N 0 3 238.287 2.016 20 5 BEBDHN CSC[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000124977270 388764227 /nfs/dbraw/zinc/76/42/27/388764227.db2.gz CHQJXUMRTQBGRD-SSDOTTSWSA-N 0 3 246.357 2.497 20 5 BEBDHN CN(C)CCSc1ccc([N+](=O)[O-])cc1 ZINC000003035153 172474112 /nfs/dbraw/zinc/47/41/12/172474112.db2.gz STAQVWPHBXCQDP-UHFFFAOYSA-N 0 3 226.301 2.249 20 5 BEBDHN COCCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000034994596 174248293 /nfs/dbraw/zinc/24/82/93/174248293.db2.gz JJXSWGOGRYXCDG-UHFFFAOYSA-N 0 3 238.287 2.029 20 5 BEBDHN C[C@H](NCC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000087010518 176834514 /nfs/dbraw/zinc/83/45/14/176834514.db2.gz OCZRLTUJGRHTFN-VIFPVBQESA-N 0 3 238.287 2.016 20 5 BEBDHN C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000299616788 177163251 /nfs/dbraw/zinc/16/32/51/177163251.db2.gz IQTAJWMJAMAKGW-JTQLQIEISA-N 0 3 220.272 2.437 20 5 BEBDHN C[C@H]1CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000309331565 177195435 /nfs/dbraw/zinc/19/54/35/177195435.db2.gz SLYMTFVZDCWPEP-ONGXEEELSA-N 0 3 220.272 2.483 20 5 BEBDHN CCCN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000063756013 323163284 /nfs/dbraw/zinc/16/32/84/323163284.db2.gz HNLDOLGFEJIDBZ-UHFFFAOYSA-N 0 3 238.287 2.445 20 5 BEBDHN CC[C@@H](CC(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813108272 582586325 /nfs/dbraw/zinc/58/63/25/582586325.db2.gz XBWWUVJWXWEGPW-ZJUUUORDSA-N 0 3 231.292 2.267 20 5 BEBDHN CC(COC(=O)[C@@H]1CCCC(C)(C)C1)[N+](=O)[O-] ZINC000813115376 582591993 /nfs/dbraw/zinc/59/19/93/582591993.db2.gz QIABZMZBALVLNZ-VHSXEESVSA-N 0 3 243.303 2.411 20 5 BEBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])C(C)(C)C ZINC000813104586 582580794 /nfs/dbraw/zinc/58/07/94/582580794.db2.gz PBCBGCAVKBSQDS-JGAIRUGNSA-N 0 3 229.276 2.187 20 5 BEBDHN C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])s2)CCN1C ZINC000895739501 583714332 /nfs/dbraw/zinc/71/43/32/583714332.db2.gz FLWQEXISOFFHRZ-SFYZADRCSA-N 0 3 241.316 2.161 20 5 BEBDHN CC[C@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000899860331 584242403 /nfs/dbraw/zinc/24/24/03/584242403.db2.gz JWISLMDJGVLRMR-LLVKDONJSA-N 0 3 222.288 2.047 20 5 BEBDHN O=[N+]([O-])CCNCCc1cccc2ccccc21 ZINC000899869632 584244756 /nfs/dbraw/zinc/24/47/56/584244756.db2.gz HVTKGRQGQIERJY-UHFFFAOYSA-N 0 3 244.294 2.249 20 5 BEBDHN Cc1ccc([C@H](NCC[N+](=O)[O-])C2CC2)cc1 ZINC000899863874 584244837 /nfs/dbraw/zinc/24/48/37/584244837.db2.gz BLWWTIKMZOODKE-ZDUSSCGKSA-N 0 3 234.299 2.312 20 5 BEBDHN O=[N+]([O-])CCN1CCC[C@]2(CC=CCC2)C1 ZINC000791051359 585972627 /nfs/dbraw/zinc/97/26/27/585972627.db2.gz BKTDKQHCZMILMX-GFCCVEGCSA-N 0 3 224.304 2.085 20 5 BEBDHN O=[N+]([O-])CCN(CC1CCCCC1)C1CC1 ZINC000791054156 585973177 /nfs/dbraw/zinc/97/31/77/585973177.db2.gz YBXFKUWHVIEVIX-UHFFFAOYSA-N 0 3 226.320 2.308 20 5 BEBDHN CC(COC(=O)C1CCCCCC1)[N+](=O)[O-] ZINC000813103077 586591959 /nfs/dbraw/zinc/59/19/59/586591959.db2.gz MYKSMTGMMBTFPM-SECBINFHSA-N 0 3 229.276 2.165 20 5 BEBDHN CC(COC(=O)/C=C\C1CCCCC1)[N+](=O)[O-] ZINC000813107909 586592852 /nfs/dbraw/zinc/59/28/52/586592852.db2.gz YVBFYXMJMHSOCH-DMEOUFDRSA-N 0 3 241.287 2.331 20 5 BEBDHN CC(COC(=O)C1C[C@H](C)C[C@@H](C)C1)[N+](=O)[O-] ZINC000813106297 586592963 /nfs/dbraw/zinc/59/29/63/586592963.db2.gz ADCUAJOKDHPFGJ-OPRDCNLKSA-N 0 3 243.303 2.267 20 5 BEBDHN CCCC(CCC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813109244 586593165 /nfs/dbraw/zinc/59/31/65/586593165.db2.gz HFXBGIIJTCGJEF-VIFPVBQESA-N 0 3 231.292 2.411 20 5 BEBDHN CC(COC(=O)[C@@H](C)c1cccs1)[N+](=O)[O-] ZINC000813109814 586593377 /nfs/dbraw/zinc/59/33/77/586593377.db2.gz PLYMDYBNUJELLK-SFYZADRCSA-N 0 3 243.284 2.060 20 5 BEBDHN Cc1cc(C)cc(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813112186 586593557 /nfs/dbraw/zinc/59/35/57/586593557.db2.gz NKHBMUATHPTTKR-SNVBAGLBSA-N 0 3 237.255 2.125 20 5 BEBDHN CC(C(=O)OCC(C)[N+](=O)[O-])=C1CCCC1 ZINC000813111592 586593788 /nfs/dbraw/zinc/59/37/88/586593788.db2.gz VJXKHZYEMUAFBQ-QMMMGPOBSA-N 0 3 227.260 2.085 20 5 BEBDHN CCC(C)(CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813114714 586594065 /nfs/dbraw/zinc/59/40/65/586594065.db2.gz GEOOHUMZXWAXQW-MRVPVSSYSA-N 0 3 217.265 2.021 20 5 BEBDHN CC(COC(=O)C[C@@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000813115210 586594317 /nfs/dbraw/zinc/59/43/17/586594317.db2.gz MVYVNMRIJHDVDP-VWYCJHECSA-N 0 3 243.303 2.411 20 5 BEBDHN C[C@H](N[C@@H]1CC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818355848 586888292 /nfs/dbraw/zinc/88/82/92/586888292.db2.gz JUSHDMXNUGSXRD-QPUJVOFHSA-N 0 3 247.298 2.380 20 5 BEBDHN C=Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000835453571 587802870 /nfs/dbraw/zinc/80/28/70/587802870.db2.gz CZCKPXZZYNVSNG-SECBINFHSA-N 0 3 235.239 2.152 20 5 BEBDHN CC(COC(=O)[C@H]1CC[C@@H](C)[C@H](C)C1)[N+](=O)[O-] ZINC000835457093 587803223 /nfs/dbraw/zinc/80/32/23/587803223.db2.gz WTDCAOLBEQFAQO-ZNSHCXBVSA-N 0 3 243.303 2.267 20 5 BEBDHN CCCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000845576558 588233816 /nfs/dbraw/zinc/23/38/16/588233816.db2.gz MYDUILRBMBARBC-MRVPVSSYSA-N 0 3 217.265 2.021 20 5 BEBDHN CC(COC(=O)[C@@H]1C[C@@H]1C1CCCC1)[N+](=O)[O-] ZINC000845577041 588233945 /nfs/dbraw/zinc/23/39/45/588233945.db2.gz QZEHHZNCJXAMLY-FBIMIBRVSA-N 0 3 241.287 2.021 20 5 BEBDHN C[C@H]1CCC[C@@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886169835 592168046 /nfs/dbraw/zinc/16/80/46/592168046.db2.gz JPBIENYNCAIGIQ-ONGXEEELSA-N 0 3 235.287 2.268 20 5 BEBDHN C[C@@H](CNCC[N+](=O)[O-])Sc1ccccc1 ZINC000905132983 637643532 /nfs/dbraw/zinc/64/35/32/637643532.db2.gz DMGYSAGTJHZPKF-JTQLQIEISA-N 0 3 240.328 2.034 20 5 BEBDHN O=[N+]([O-])CCN1CCC[C@@H](C2CCC2)CC1 ZINC000931506685 640237950 /nfs/dbraw/zinc/23/79/50/640237950.db2.gz AFOYOXQJZMUSRK-GFCCVEGCSA-N 0 3 226.320 2.165 20 5 BEBDHN C[C@@H](NC1CSC1)c1ccc([N+](=O)[O-])cc1 ZINC000706495790 712147512 /nfs/dbraw/zinc/14/75/12/712147512.db2.gz QOWMKQUQXLERBF-MRVPVSSYSA-N 0 3 238.312 2.361 20 5 BEBDHN CCc1cc(Nc2ccc([N+](=O)[O-])nc2)ccn1 ZINC001203568905 966697536 /nfs/dbraw/zinc/69/75/36/966697536.db2.gz JIISQMIJPMNBOU-UHFFFAOYSA-N 0 3 244.254 2.113 20 5 BEBDHN Cc1cnccc1Nc1ccccc1[N+](=O)[O-] ZINC001206140474 968083107 /nfs/dbraw/zinc/08/31/07/968083107.db2.gz VLYLMAGMESFOPB-UHFFFAOYSA-N 0 3 229.239 2.464 20 5 BEBDHN Cc1ccccc1[C@H](NCC[N+](=O)[O-])C1CC1 ZINC001354486114 983313412 /nfs/dbraw/zinc/31/34/12/983313412.db2.gz VXWFMFJJIJVDDM-CYBMUJFWSA-N 0 3 234.299 2.312 20 5 BEBDHN CN(CCCF)CCc1ccccc1[N+](=O)[O-] ZINC000285267307 398319459 /nfs/dbraw/zinc/31/94/59/398319459.db2.gz IHNAMXNFRCPWMK-UHFFFAOYSA-N 0 3 240.278 2.429 20 5 BEBDHN CN(c1ccc([N+](=O)[O-])cc1)[C@H]1CCCN(C)C1 ZINC000091484513 345595037 /nfs/dbraw/zinc/59/50/37/345595037.db2.gz SEHYWMHJMBEUOP-ZDUSSCGKSA-N 0 3 249.314 2.125 20 5 BEBDHN COC[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000034995533 346114016 /nfs/dbraw/zinc/11/40/16/346114016.db2.gz LONNUXGACJVHOJ-JTQLQIEISA-N 0 3 238.287 2.028 20 5 BEBDHN C[C@@H](NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000035136408 188285116 /nfs/dbraw/zinc/28/51/16/188285116.db2.gz XFBPXVYMOKPJEB-SECBINFHSA-N 0 3 220.272 2.483 20 5 BEBDHN CC[C@H](NC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601425 358002450 /nfs/dbraw/zinc/00/24/50/358002450.db2.gz YJMQFGOWDXPWOH-CABZTGNLSA-N 0 3 238.287 2.016 20 5 BEBDHN CC[C@@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124409082 358517276 /nfs/dbraw/zinc/51/72/76/358517276.db2.gz LITRYCCUMIVBSC-BXKDBHETSA-N 0 3 238.287 2.016 20 5 BEBDHN CC[C@H](NCCCO)c1cccc([N+](=O)[O-])c1 ZINC000036721136 361388365 /nfs/dbraw/zinc/38/83/65/361388365.db2.gz ROPZYGMCWZBZGD-LBPRGKRZSA-N 0 3 238.287 2.018 20 5 BEBDHN COC[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087680 370236153 /nfs/dbraw/zinc/23/61/53/370236153.db2.gz CBZBNTCDUNHVCM-UWVGGRQHSA-N 0 3 238.287 2.280 20 5 BEBDHN C[C@H](CF)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602664271 371827997 /nfs/dbraw/zinc/82/79/97/371827997.db2.gz YPPAOHSWBSVMEV-SECBINFHSA-N 0 3 226.251 2.085 20 5 BEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CCC=CO1 ZINC000050269724 383986118 /nfs/dbraw/zinc/98/61/18/383986118.db2.gz QPOHVTLCKKXCHL-GFCCVEGCSA-N 0 3 248.282 2.377 20 5 BEBDHN C[C@@H](F)CCNCc1cccc([N+](=O)[O-])c1 ZINC000339482648 383987948 /nfs/dbraw/zinc/98/79/48/383987948.db2.gz IBXIRPRZZSZHRL-SECBINFHSA-N 0 3 226.251 2.433 20 5 BEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000125250910 384025704 /nfs/dbraw/zinc/02/57/04/384025704.db2.gz UPCZGHQLQKYJMB-WZRBSPASSA-N 0 3 248.282 2.004 20 5 BEBDHN COC(C)(C)CNCc1ccccc1[N+](=O)[O-] ZINC000135233124 384189103 /nfs/dbraw/zinc/18/91/03/384189103.db2.gz RJYCXQGPVMUANO-UHFFFAOYSA-N 0 3 238.287 2.109 20 5 BEBDHN CO[C@@H](C)CCNCc1cccc([N+](=O)[O-])c1 ZINC000263823703 385147507 /nfs/dbraw/zinc/14/75/07/385147507.db2.gz RCFDKFKXKNBNDD-JTQLQIEISA-N 0 3 238.287 2.109 20 5 BEBDHN O=[N+]([O-])c1ccc(CN[C@H]2CC23CC3)cc1 ZINC000566095054 385534128 /nfs/dbraw/zinc/53/41/28/385534128.db2.gz AMNYEEMSTLXWIT-NSHDSACASA-N 0 3 218.256 2.237 20 5 BEBDHN O=[N+]([O-])c1ccc(CCN2CC=CCC2)cc1 ZINC000073224327 385692008 /nfs/dbraw/zinc/69/20/08/385692008.db2.gz YDIVKRNESAIBHZ-UHFFFAOYSA-N 0 3 232.283 2.399 20 5 BEBDHN Cc1ccc(CN[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000052273902 385715343 /nfs/dbraw/zinc/71/53/43/385715343.db2.gz GBFDEEYIOSVEOQ-GXSJLCMTSA-N 0 3 220.272 2.401 20 5 BEBDHN C[C@@H](NCC(C)(C)O)c1ccccc1[N+](=O)[O-] ZINC000087009549 385982487 /nfs/dbraw/zinc/98/24/87/385982487.db2.gz GNPOUYRAJBNKNM-SECBINFHSA-N 0 3 238.287 2.016 20 5 BEBDHN Cc1ccc(CNc2nccn2C)cc1[N+](=O)[O-] ZINC000414305168 386473359 /nfs/dbraw/zinc/47/33/59/386473359.db2.gz PRSOFELRSNSKJY-UHFFFAOYSA-N 0 3 246.270 2.249 20 5 BEBDHN C[C@@H](O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000085984297 386695254 /nfs/dbraw/zinc/69/52/54/386695254.db2.gz WOSBGXSEVOKQGP-ZJUUUORDSA-N 0 3 238.287 2.016 20 5 BEBDHN C[C@H](O)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000085980773 386695683 /nfs/dbraw/zinc/69/56/83/386695683.db2.gz GFADSHQUCMRXDU-UWVGGRQHSA-N 0 3 238.287 2.016 20 5 BEBDHN CC[C@H](CO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177152 388192020 /nfs/dbraw/zinc/19/20/20/388192020.db2.gz BWOPKIMENZYADG-MWLCHTKSSA-N 0 3 238.287 2.016 20 5 BEBDHN O=[N+]([O-])c1cccc(CN[C@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000152868766 388373471 /nfs/dbraw/zinc/37/34/71/388373471.db2.gz IZVCUBFWNHCGAG-AGIUHOORSA-N 0 3 248.282 2.004 20 5 BEBDHN CO[C@H](C)[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000163251294 388374074 /nfs/dbraw/zinc/37/40/74/388374074.db2.gz WSCCFEFJXKNLBW-NXEZZACHSA-N 0 3 238.287 2.108 20 5 BEBDHN CO[C@@H](C)[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000163248635 388374383 /nfs/dbraw/zinc/37/43/83/388374383.db2.gz MBBFYFZPWXSQOM-ZJUUUORDSA-N 0 3 238.287 2.108 20 5 BEBDHN CO[C@@H](C)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000227986198 388374767 /nfs/dbraw/zinc/37/47/67/388374767.db2.gz OLFNUDSMCRXGOJ-VHSXEESVSA-N 0 3 238.287 2.280 20 5 BEBDHN CO[C@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000272852587 388413579 /nfs/dbraw/zinc/41/35/79/388413579.db2.gz VVHNUVDJHBCRLQ-SNVBAGLBSA-N 0 3 238.287 2.062 20 5 BEBDHN C[C@@H](O)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000348314971 388435575 /nfs/dbraw/zinc/43/55/75/388435575.db2.gz BNZJVLFTQMACJT-LPEHRKFASA-N 0 3 238.287 2.015 20 5 BEBDHN CN(C)CCSc1ccc(F)cc1[N+](=O)[O-] ZINC000301607568 388598751 /nfs/dbraw/zinc/59/87/51/388598751.db2.gz NUHHDQOQOKCXAW-UHFFFAOYSA-N 0 3 244.291 2.388 20 5 BEBDHN O=[N+]([O-])c1ccccc1CCNCC1(F)CC1 ZINC000525995827 388683504 /nfs/dbraw/zinc/68/35/04/388683504.db2.gz DEUNYVDXRJCCCJ-UHFFFAOYSA-N 0 3 238.262 2.229 20 5 BEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2CC23CC3)c1 ZINC000424183507 388695141 /nfs/dbraw/zinc/69/51/41/388695141.db2.gz JGVZJSUBVOMRSC-LLVKDONJSA-N 0 3 218.256 2.237 20 5 BEBDHN COC[C@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000079887012 388700719 /nfs/dbraw/zinc/70/07/19/388700719.db2.gz CMSAWRTVXVUOKR-JTQLQIEISA-N 0 3 238.287 2.062 20 5 BEBDHN C[C@H](CCc1ccccc1[N+](=O)[O-])NCCF ZINC000281019336 388788917 /nfs/dbraw/zinc/78/89/17/388788917.db2.gz MDSFLSBCWWLKQV-SNVBAGLBSA-N 0 3 240.278 2.475 20 5 BEBDHN C[C@H](NCCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000193281545 388842946 /nfs/dbraw/zinc/84/29/46/388842946.db2.gz KILZKEZQABAKEC-JTQLQIEISA-N 0 3 238.287 2.018 20 5 BEBDHN CC(C)NCc1csc([N+](=O)[O-])c1 ZINC000037472308 167120907 /nfs/dbraw/zinc/12/09/07/167120907.db2.gz GUXAQOOTRMWFHQ-UHFFFAOYSA-N 0 3 200.263 2.154 20 5 BEBDHN CN1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000221258801 173056363 /nfs/dbraw/zinc/05/63/63/173056363.db2.gz OHBHGKFFVGEVQS-LBPRGKRZSA-N 0 3 235.287 2.101 20 5 BEBDHN C[C@@H]1CCN(C)CCN1c1ccccc1[N+](=O)[O-] ZINC000354086773 176166215 /nfs/dbraw/zinc/16/62/15/176166215.db2.gz TZZMUAGACGOVDO-LLVKDONJSA-N 0 3 249.314 2.125 20 5 BEBDHN CC[C@H](C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102051 582580154 /nfs/dbraw/zinc/58/01/54/582580154.db2.gz AHKIVBTVXQIIHQ-DTWKUNHWSA-N 0 3 217.265 2.021 20 5 BEBDHN CC[C@@H]1CCCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110732 582588054 /nfs/dbraw/zinc/58/80/54/582588054.db2.gz IHKVBMLUOWTVCJ-GMTAPVOTSA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)C1(C)CCCCC1)[N+](=O)[O-] ZINC000813113819 582590765 /nfs/dbraw/zinc/59/07/65/582590765.db2.gz JOQQVIGKKSNMPC-SECBINFHSA-N 0 3 229.276 2.165 20 5 BEBDHN CCC[C@@H]1CN(c2ccccc2[N+](=O)[O-])CCN1 ZINC000895059005 583576107 /nfs/dbraw/zinc/57/61/07/583576107.db2.gz QFXZHJIXNINKNZ-LLVKDONJSA-N 0 3 249.314 2.173 20 5 BEBDHN CC(C)CCC[C@@H](C)NCC[N+](=O)[O-] ZINC000899855880 584243259 /nfs/dbraw/zinc/24/32/59/584243259.db2.gz MGCNTLLEZKWEFM-SNVBAGLBSA-N 0 3 202.298 2.068 20 5 BEBDHN CN[C@@H](C)c1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901399333 584438689 /nfs/dbraw/zinc/43/86/89/584438689.db2.gz SFNIWGQDWWPMRE-LURJTMIESA-N 0 3 237.215 2.123 20 5 BEBDHN COc1cc([C@@H](C)NC2CC2)cc([N+](=O)[O-])c1 ZINC000903056425 584722564 /nfs/dbraw/zinc/72/25/64/584722564.db2.gz URGNJDHUXRFERR-MRVPVSSYSA-N 0 3 236.271 2.416 20 5 BEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@H]3C[C@H]32)cc1 ZINC000761092012 585408402 /nfs/dbraw/zinc/40/84/02/585408402.db2.gz MIAANINZRMBBDI-GXFFZTMASA-N 0 3 248.282 2.068 20 5 BEBDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@H]3C[C@@H]32)cc1 ZINC000761092016 585408414 /nfs/dbraw/zinc/40/84/14/585408414.db2.gz MIAANINZRMBBDI-MFKMUULPSA-N 0 3 248.282 2.068 20 5 BEBDHN Cc1ccccc1[C@@H]1CCCN1CC[N+](=O)[O-] ZINC000791051940 585972922 /nfs/dbraw/zinc/97/29/22/585972922.db2.gz INUVYXYSSAJHLM-ZDUSSCGKSA-N 0 3 234.299 2.409 20 5 BEBDHN Cc1cccc([C@H]2CCCN2CC[N+](=O)[O-])c1 ZINC000791052955 585972959 /nfs/dbraw/zinc/97/29/59/585972959.db2.gz PZDWWFWURMTIRO-CYBMUJFWSA-N 0 3 234.299 2.409 20 5 BEBDHN CC(COC(=O)C[C@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813101538 586592192 /nfs/dbraw/zinc/59/21/92/586592192.db2.gz CZRQFZXJQLXRQA-MXWKQRLJSA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)C[C@@H]1CCC[C@H]1C)[N+](=O)[O-] ZINC000813103562 586592418 /nfs/dbraw/zinc/59/24/18/586592418.db2.gz QLSCIIDBZVIOCV-BBBLOLIVSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)CC1=CCCCC1)[N+](=O)[O-] ZINC000813106923 586592780 /nfs/dbraw/zinc/59/27/80/586592780.db2.gz HZZZQYAFGYWUPT-SECBINFHSA-N 0 3 227.260 2.085 20 5 BEBDHN CCC[C@@](C)(CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107132 586592840 /nfs/dbraw/zinc/59/28/40/586592840.db2.gz KEKAWHLYNBQWMJ-GXSJLCMTSA-N 0 3 231.292 2.411 20 5 BEBDHN CCCC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813107099 586592862 /nfs/dbraw/zinc/59/28/62/586592862.db2.gz JRNARXPZDQYWKI-SECBINFHSA-N 0 3 229.276 2.165 20 5 BEBDHN CC(COC(=O)c1coc2ccccc12)[N+](=O)[O-] ZINC000813106997 586592894 /nfs/dbraw/zinc/59/28/94/586592894.db2.gz JUVSWCMJAFGMKV-QMMMGPOBSA-N 0 3 249.222 2.255 20 5 BEBDHN CCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106727 586592996 /nfs/dbraw/zinc/59/29/96/586592996.db2.gz GIDBQAGGOYTUJR-VIFPVBQESA-N 0 3 237.255 2.071 20 5 BEBDHN CCc1ccsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109527 586593153 /nfs/dbraw/zinc/59/31/53/586593153.db2.gz KSRGTWBBEQEOER-ZETCQYMHSA-N 0 3 243.284 2.133 20 5 BEBDHN CC(COC(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813113003 586593926 /nfs/dbraw/zinc/59/39/26/586593926.db2.gz NNZMGRASOCLKCA-ZETCQYMHSA-N 0 3 243.646 2.162 20 5 BEBDHN CC(C)CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000835454969 587803022 /nfs/dbraw/zinc/80/30/22/587803022.db2.gz LOMFYFNFXUNXBT-VIFPVBQESA-N 0 3 217.265 2.021 20 5 BEBDHN CCCC[C@](C)(F)C(=O)OCC(C)[N+](=O)[O-] ZINC000851035951 588585448 /nfs/dbraw/zinc/58/54/48/588585448.db2.gz ACPPUAZBWHKFEB-WPRPVWTQSA-N 0 3 235.255 2.113 20 5 BEBDHN CC(COC(=O)c1ccc(C(F)F)o1)[N+](=O)[O-] ZINC000860777839 589119418 /nfs/dbraw/zinc/11/94/18/589119418.db2.gz XDUWJISJEWCOOV-YFKPBYRVSA-N 0 3 249.169 2.039 20 5 BEBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](CF)C2)cc1 ZINC000880293000 590987957 /nfs/dbraw/zinc/98/79/57/590987957.db2.gz YCRPQYFFQOWJMY-NSHDSACASA-N 0 3 238.262 2.386 20 5 BEBDHN CCN(Cc1cccnc1[N+](=O)[O-])CC(C)C ZINC000885951652 592114225 /nfs/dbraw/zinc/11/42/25/592114225.db2.gz MZFHNKIQYGZWIX-UHFFFAOYSA-N 0 3 237.303 2.468 20 5 BEBDHN O=[N+]([O-])c1ncccc1CN1CCC[C@H]1C1CC1 ZINC000885985718 592122005 /nfs/dbraw/zinc/12/20/05/592122005.db2.gz OTMDEZABSUUFJB-LBPRGKRZSA-N 0 3 247.298 2.364 20 5 BEBDHN O=[N+]([O-])c1ncccc1CNC1(C2CC2)CC1 ZINC000886127775 592158815 /nfs/dbraw/zinc/15/88/15/592158815.db2.gz SPDPBMCJPQMRKW-UHFFFAOYSA-N 0 3 233.271 2.022 20 5 BEBDHN Cc1ccc(C2(CNCC[N+](=O)[O-])CC2)c(C)c1 ZINC000905271818 637729799 /nfs/dbraw/zinc/72/97/99/637729799.db2.gz DBEFMZFNYIDZOX-UHFFFAOYSA-N 0 3 248.326 2.201 20 5 BEBDHN C[C@H]1C[C@H](c2ccccc2)N(CC[N+](=O)[O-])C1 ZINC000930473735 639772435 /nfs/dbraw/zinc/77/24/35/639772435.db2.gz BJEPBBBEDNCFJF-WCQYABFASA-N 0 3 234.299 2.346 20 5 BEBDHN C[C@H]1C[C@@H](C(C)(C)C)CCN1CC[N+](=O)[O-] ZINC000930492219 639780667 /nfs/dbraw/zinc/78/06/67/639780667.db2.gz FDWAHHDAMRQLTL-QWRGUYRKSA-N 0 3 228.336 2.410 20 5 BEBDHN CCc1ccc([C@H]2CCN(CC[N+](=O)[O-])C2)cc1 ZINC000930564829 639811289 /nfs/dbraw/zinc/81/12/89/639811289.db2.gz OHBIMFRXZHCDTQ-AWEZNQCLSA-N 0 3 248.326 2.315 20 5 BEBDHN CC1(C)CN(CC[N+](=O)[O-])CCc2ccccc21 ZINC000930928557 639992194 /nfs/dbraw/zinc/99/21/94/639992194.db2.gz SNKNSQXCMBAJMC-UHFFFAOYSA-N 0 3 248.326 2.099 20 5 BEBDHN C[C@@H]1CCN(CC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000931746683 640346227 /nfs/dbraw/zinc/34/62/27/640346227.db2.gz KHQHXJBTDGKDAW-DGCLKSJQSA-N 0 3 234.299 2.346 20 5 BEBDHN C[C@H]1CCN(CC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000931746511 640348206 /nfs/dbraw/zinc/34/82/06/640348206.db2.gz KHQHXJBTDGKDAW-AAEUAGOBSA-N 0 3 234.299 2.346 20 5 BEBDHN CCOC[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000044689977 640449589 /nfs/dbraw/zinc/44/95/89/640449589.db2.gz LNOXOEXIRPBRMS-SNVBAGLBSA-N 0 3 238.287 2.109 20 5 BEBDHN O=[N+]([O-])c1ncccc1CN1C[C@@H]2CCC[C@@H]2C1 ZINC000934346246 641131831 /nfs/dbraw/zinc/13/18/31/641131831.db2.gz XJVOWYXJDAJLMJ-PHIMTYICSA-N 0 3 247.298 2.222 20 5 BEBDHN Cc1c(CNc2nccn2C)cccc1[N+](=O)[O-] ZINC000231869212 641212545 /nfs/dbraw/zinc/21/25/45/641212545.db2.gz RNMRXPRHGXQBNC-UHFFFAOYSA-N 0 3 246.270 2.249 20 5 BEBDHN CC(COC(=O)c1cccc(C2CC2)c1)[N+](=O)[O-] ZINC000847714465 645433698 /nfs/dbraw/zinc/43/36/98/645433698.db2.gz VCCLWBWSZCKELY-VIFPVBQESA-N 0 3 249.266 2.386 20 5 BEBDHN C[C@@H]1[C@@H](c2ccccc2)CCN1CC[N+](=O)[O-] ZINC000929811636 646332066 /nfs/dbraw/zinc/33/20/66/646332066.db2.gz BZCJMWFANPCFAN-YPMHNXCESA-N 0 3 234.299 2.141 20 5 BEBDHN C[C@@H](CCO)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000098005679 958413084 /nfs/dbraw/zinc/41/30/84/958413084.db2.gz RPDUIOABVBVSFC-UWVGGRQHSA-N 0 3 238.287 2.016 20 5 BEBDHN CCCCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001162203819 967732815 /nfs/dbraw/zinc/73/28/15/967732815.db2.gz CBJXZUFGHLLTHG-UHFFFAOYSA-N 0 3 235.287 2.410 20 5 BEBDHN C[C@H]1CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593336 969743264 /nfs/dbraw/zinc/74/32/64/969743264.db2.gz KVPBZWPRDSSIBE-ZANVPECISA-N 0 3 232.283 2.156 20 5 BEBDHN C[C@@H](O)[C@@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001329649251 970358874 /nfs/dbraw/zinc/35/88/74/970358874.db2.gz ZNXMGBIGQXQKRX-OPRDCNLKSA-N 0 3 238.287 2.015 20 5 BEBDHN CN1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763383 975064430 /nfs/dbraw/zinc/06/44/30/975064430.db2.gz RIHRNFAYGSOXNU-GFCCVEGCSA-N 0 3 236.271 2.068 20 5 BEBDHN CCC(CC)CCCN(C)CC[N+](=O)[O-] ZINC001196518183 982458281 /nfs/dbraw/zinc/45/82/81/982458281.db2.gz KFMWSJSSEGIQPM-UHFFFAOYSA-N 0 3 216.325 2.411 20 5 BEBDHN CC(COC(=O)C12CCC(CC1)CC2)[N+](=O)[O-] ZINC001515229074 989007212 /nfs/dbraw/zinc/00/72/12/989007212.db2.gz GEVZBQYLCPWZEY-GRZMOONWSA-N 0 3 241.287 2.165 20 5 BEBDHN CC(COC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)[N+](=O)[O-] ZINC001122950439 990467518 /nfs/dbraw/zinc/46/75/18/990467518.db2.gz JRDXCLJQFKKCEV-DBIOUOCHSA-N 0 3 241.287 2.021 20 5 BEBDHN CCCCC1(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC001263502324 993345030 /nfs/dbraw/zinc/34/50/30/993345030.db2.gz QBXMBBHHTHUHFT-VIFPVBQESA-N 0 3 229.276 2.165 20 5 BEBDHN CC[C@@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020196125 398315764 /nfs/dbraw/zinc/31/57/64/398315764.db2.gz VQNBKJNGZYFVNN-KOLCDFICSA-N 0 3 238.287 2.016 20 5 BEBDHN C[C@@H](CNc1cccc(F)c1[N+](=O)[O-])N(C)C ZINC000038089148 343370286 /nfs/dbraw/zinc/37/02/86/343370286.db2.gz ONMLAJLLOBEIGV-QMMMGPOBSA-N 0 3 241.266 2.096 20 5 BEBDHN C[C@H](CNc1cccc(F)c1[N+](=O)[O-])N(C)C ZINC000038089149 343941404 /nfs/dbraw/zinc/94/14/04/343941404.db2.gz ONMLAJLLOBEIGV-MRVPVSSYSA-N 0 3 241.266 2.096 20 5 BEBDHN Cc1cccc([N+](=O)[O-])c1N[C@@H](C)CN(C)C ZINC000168960792 179206642 /nfs/dbraw/zinc/20/66/42/179206642.db2.gz ZGPAGFVUJHKWSX-JTQLQIEISA-N 0 3 237.303 2.265 20 5 BEBDHN O=[N+]([O-])c1cccc2c1CC[C@@H]2NC1CC1 ZINC000581199430 347278011 /nfs/dbraw/zinc/27/80/11/347278011.db2.gz ICJOTEIIVBNSBW-NSHDSACASA-N 0 3 218.256 2.334 20 5 BEBDHN COCCCN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000052637854 351063363 /nfs/dbraw/zinc/06/33/63/351063363.db2.gz LEODIENFWNOLFP-UHFFFAOYSA-N 0 3 238.287 2.063 20 5 BEBDHN C/C=C/CNCc1cccc([N+](=O)[O-])c1 ZINC000232464875 352717486 /nfs/dbraw/zinc/71/74/86/352717486.db2.gz WFNGZCRSJNECGL-NSCUHMNNSA-N 0 3 206.245 2.261 20 5 BEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC1CC1 ZINC000035414786 357229910 /nfs/dbraw/zinc/22/99/10/357229910.db2.gz LIDQESNMKAWGAU-UHFFFAOYSA-N 0 3 236.271 2.246 20 5 BEBDHN COC[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176857 361720438 /nfs/dbraw/zinc/72/04/38/361720438.db2.gz LAZOFZYEWGCSSJ-VHSXEESVSA-N 0 3 238.287 2.280 20 5 BEBDHN C[C@H](N[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000131202230 371568284 /nfs/dbraw/zinc/56/82/84/371568284.db2.gz VMEFVUIKAUQXFK-GXSJLCMTSA-N 0 3 236.271 2.034 20 5 BEBDHN CN(C)CCSc1ccsc1[N+](=O)[O-] ZINC000601127632 371728785 /nfs/dbraw/zinc/72/87/85/371728785.db2.gz LTTSYXHYTBEGSN-UHFFFAOYSA-N 0 3 232.330 2.310 20 5 BEBDHN O=[N+]([O-])c1cc(CN[C@@H]2CCSC2)cs1 ZINC000230704215 371951161 /nfs/dbraw/zinc/95/11/61/371951161.db2.gz AESISIHKGUTMMU-MRVPVSSYSA-N 0 3 244.341 2.251 20 5 BEBDHN CCCNCc1csc([N+](=O)[O-])c1 ZINC000037472300 169269657 /nfs/dbraw/zinc/26/96/57/169269657.db2.gz HBBSODGZXUPGQP-UHFFFAOYSA-N 0 3 200.263 2.156 20 5 BEBDHN C[C@@H](NCCCCO)c1ccccc1[N+](=O)[O-] ZINC000235210707 384262551 /nfs/dbraw/zinc/26/25/51/384262551.db2.gz RIPIKTSVPMWNQT-SNVBAGLBSA-N 0 3 238.287 2.018 20 5 BEBDHN C[C@@H](CSc1ccc([N+](=O)[O-])cn1)N(C)C ZINC000358783972 384341964 /nfs/dbraw/zinc/34/19/64/384341964.db2.gz IBEHIXFLEUOUPE-QMMMGPOBSA-N 0 3 241.316 2.032 20 5 BEBDHN CC[C@@H](CNCc1cccc([N+](=O)[O-])c1)OC ZINC000289857563 384501797 /nfs/dbraw/zinc/50/17/97/384501797.db2.gz QAYADDIROPNCGK-LBPRGKRZSA-N 0 3 238.287 2.109 20 5 BEBDHN C[C@H](CN(C)C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000343787198 385732290 /nfs/dbraw/zinc/73/22/90/385732290.db2.gz CXAXCYDBLPAYTM-MRVPVSSYSA-N 0 3 241.266 2.096 20 5 BEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2C[C@@H]2C(F)F)c1 ZINC000342245839 385876567 /nfs/dbraw/zinc/87/65/67/385876567.db2.gz ZJIFQWSHISICOB-VHSXEESVSA-N 0 3 242.225 2.338 20 5 BEBDHN C[C@H](NCC(C)(C)O)c1ccccc1[N+](=O)[O-] ZINC000087009547 385982153 /nfs/dbraw/zinc/98/21/53/385982153.db2.gz GNPOUYRAJBNKNM-VIFPVBQESA-N 0 3 238.287 2.016 20 5 BEBDHN Cc1ccc(N[C@H](C)CN(C)C)c([N+](=O)[O-])c1 ZINC000168937297 387371694 /nfs/dbraw/zinc/37/16/94/387371694.db2.gz IAWYKTYIYXDRIE-SNVBAGLBSA-N 0 3 237.303 2.265 20 5 BEBDHN CO[C@@H](C)[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000130038736 387434767 /nfs/dbraw/zinc/43/47/67/387434767.db2.gz XQYBSTIZULXJAM-UWVGGRQHSA-N 0 3 238.287 2.108 20 5 BEBDHN O=[N+]([O-])c1ccccc1CNCCCF ZINC000088024821 387517283 /nfs/dbraw/zinc/51/72/83/387517283.db2.gz GQQJRABPQHFMAM-UHFFFAOYSA-N 0 3 212.224 2.044 20 5 BEBDHN CCOCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036228323 387883798 /nfs/dbraw/zinc/88/37/98/387883798.db2.gz JKKLYDSSLRRTKT-JTQLQIEISA-N 0 3 238.287 2.282 20 5 BEBDHN CC[C@@H](NCCOC)c1cccc([N+](=O)[O-])c1 ZINC000036721063 388257550 /nfs/dbraw/zinc/25/75/50/388257550.db2.gz PPCDQASJDKGNOY-GFCCVEGCSA-N 0 3 238.287 2.282 20 5 BEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])NCCF ZINC000449303566 388748393 /nfs/dbraw/zinc/74/83/93/388748393.db2.gz YMTQZUMJPRZWOH-SECBINFHSA-N 0 3 226.251 2.085 20 5 BEBDHN CC[C@H](COC)NCc1ccc([N+](=O)[O-])cc1 ZINC000079712484 388698385 /nfs/dbraw/zinc/69/83/85/388698385.db2.gz JEJNANXGBDJVKP-LLVKDONJSA-N 0 3 238.287 2.109 20 5 BEBDHN O=[N+]([O-])c1ccc(CCNCC2(F)CC2)cc1 ZINC000527518287 388699264 /nfs/dbraw/zinc/69/92/64/388699264.db2.gz DUOXOGJNWXYYIV-UHFFFAOYSA-N 0 3 238.262 2.229 20 5 BEBDHN COC[C@@H](C)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000079887015 388700917 /nfs/dbraw/zinc/70/09/17/388700917.db2.gz CMSAWRTVXVUOKR-SNVBAGLBSA-N 0 3 238.287 2.062 20 5 BEBDHN CN(C)CCSCc1ccccc1[N+](=O)[O-] ZINC000446568980 388733824 /nfs/dbraw/zinc/73/38/24/388733824.db2.gz IMYRXUATMNZPOZ-UHFFFAOYSA-N 0 3 240.328 2.390 20 5 BEBDHN CSC[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000124991584 388763526 /nfs/dbraw/zinc/76/35/26/388763526.db2.gz SLVLSGGJUMKSGO-VIFPVBQESA-N 0 3 240.328 2.436 20 5 BEBDHN CCC[C@@H](NCCO)c1cccc([N+](=O)[O-])c1 ZINC000020596849 388779281 /nfs/dbraw/zinc/77/92/81/388779281.db2.gz LCKXXVQXYPDAPL-GFCCVEGCSA-N 0 3 238.287 2.018 20 5 BEBDHN C[C@H]1C[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000136402967 397734897 /nfs/dbraw/zinc/73/48/97/397734897.db2.gz AUQIAOGYJKKUBM-GXSJLCMTSA-N 0 3 220.272 2.340 20 5 BEBDHN CC(C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000175584701 397977816 /nfs/dbraw/zinc/97/78/16/397977816.db2.gz KJHLJZTUNJKNDI-UHFFFAOYSA-N 0 3 208.261 2.435 20 5 BEBDHN COc1ccc([N+](=O)[O-])cc1CNCC1CC1 ZINC000036722202 175201144 /nfs/dbraw/zinc/20/11/44/175201144.db2.gz NBDQPJCEDLYGCT-UHFFFAOYSA-N 0 3 236.271 2.103 20 5 BEBDHN C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000263785281 176175443 /nfs/dbraw/zinc/17/54/43/176175443.db2.gz ZQYMIIAQSSPVEK-SNVBAGLBSA-N 0 3 220.272 2.437 20 5 BEBDHN C[C@@H]1CC[C@@H]1NCc1ccccc1[N+](=O)[O-] ZINC000309331560 176216771 /nfs/dbraw/zinc/21/67/71/176216771.db2.gz SLYMTFVZDCWPEP-KOLCDFICSA-N 0 3 220.272 2.483 20 5 BEBDHN C[C@H](NCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000078514716 176834907 /nfs/dbraw/zinc/83/49/07/176834907.db2.gz SJIKPPCFSYXGME-VIFPVBQESA-N 0 3 238.287 2.016 20 5 BEBDHN CC(COC(=O)c1cccc(Cl)c1)[N+](=O)[O-] ZINC000813114579 582592012 /nfs/dbraw/zinc/59/20/12/582592012.db2.gz DBWAIJLKRKOCPI-ZETCQYMHSA-N 0 3 243.646 2.162 20 5 BEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C=CCC2)cc1 ZINC000829346739 582857061 /nfs/dbraw/zinc/85/70/61/582857061.db2.gz CECYJOSPQZBWBI-LLVKDONJSA-N 0 3 218.256 2.403 20 5 BEBDHN CC1(CNCc2ccccc2[N+](=O)[O-])CC1 ZINC000224176025 535152700 /nfs/dbraw/zinc/15/27/00/535152700.db2.gz XLFGQGRIGXHRBJ-UHFFFAOYSA-N 0 3 220.272 2.485 20 5 BEBDHN CC[C@@H](C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102053 582580064 /nfs/dbraw/zinc/58/00/64/582580064.db2.gz AHKIVBTVXQIIHQ-RKDXNWHRSA-N 0 3 217.265 2.021 20 5 BEBDHN CC[C@H](C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102052 582580321 /nfs/dbraw/zinc/58/03/21/582580321.db2.gz AHKIVBTVXQIIHQ-IUCAKERBSA-N 0 3 217.265 2.021 20 5 BEBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])C(C)(C)C ZINC000813104605 582581039 /nfs/dbraw/zinc/58/10/39/582581039.db2.gz PBCBGCAVKBSQDS-XZLDQRQTSA-N 0 3 229.276 2.187 20 5 BEBDHN CC(COC(=O)c1ccc(C2CC2)cc1)[N+](=O)[O-] ZINC000851036375 582941594 /nfs/dbraw/zinc/94/15/94/582941594.db2.gz IOMHIBZGJJBOPV-VIFPVBQESA-N 0 3 249.266 2.386 20 5 BEBDHN O=[N+]([O-])c1cccc(CN2CC[C@@H](CF)C2)c1 ZINC000880292547 583523277 /nfs/dbraw/zinc/52/32/77/583523277.db2.gz QZPAKGCXPLGCIH-NSHDSACASA-N 0 3 238.262 2.386 20 5 BEBDHN C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])s2)CCN1C ZINC000895739499 583714479 /nfs/dbraw/zinc/71/44/79/583714479.db2.gz FLWQEXISOFFHRZ-HTQZYQBOSA-N 0 3 241.316 2.161 20 5 BEBDHN CC(C)[C@H]1N(CC[N+](=O)[O-])CC12CCCC2 ZINC000899888188 584247425 /nfs/dbraw/zinc/24/74/25/584247425.db2.gz ZDHAIZDTISGECQ-LLVKDONJSA-N 0 3 226.320 2.164 20 5 BEBDHN CC(COC(=O)C[C@@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813101539 586591903 /nfs/dbraw/zinc/59/19/03/586591903.db2.gz CZRQFZXJQLXRQA-OUAUKWLOSA-N 0 3 243.303 2.411 20 5 BEBDHN CCC(CC)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102783 586591949 /nfs/dbraw/zinc/59/19/49/586591949.db2.gz VMGRMVVCLBCOJO-QMMMGPOBSA-N 0 3 217.265 2.021 20 5 BEBDHN Cc1ccc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1 ZINC000813110029 586593241 /nfs/dbraw/zinc/59/32/41/586593241.db2.gz RBUZSMJHSRQPCS-SNVBAGLBSA-N 0 3 237.255 2.125 20 5 BEBDHN CCCCSCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813110476 586593415 /nfs/dbraw/zinc/59/34/15/586593415.db2.gz BLJCRGFZQMXEOR-VIFPVBQESA-N 0 3 249.332 2.118 20 5 BEBDHN CC(COC(=O)[C@H]1CCCCC1(C)C)[N+](=O)[O-] ZINC000813110691 586593423 /nfs/dbraw/zinc/59/34/23/586593423.db2.gz HOELKJFRLXYYQY-VHSXEESVSA-N 0 3 243.303 2.411 20 5 BEBDHN CC(C)CC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813111415 586593465 /nfs/dbraw/zinc/59/34/65/586593465.db2.gz GVLLFZWAOSEDAA-SNVBAGLBSA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)[C@H](C)CC(C)(C)C)[N+](=O)[O-] ZINC000813111944 586593762 /nfs/dbraw/zinc/59/37/62/586593762.db2.gz XYTYHJYJNYMKTP-RKDXNWHRSA-N 0 3 231.292 2.267 20 5 BEBDHN CC(COC(=O)c1cc(Cl)cs1)[N+](=O)[O-] ZINC000813113964 586594006 /nfs/dbraw/zinc/59/40/06/586594006.db2.gz XCAPOHJCYVAUHX-RXMQYKEDSA-N 0 3 249.675 2.224 20 5 BEBDHN Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813115190 586594229 /nfs/dbraw/zinc/59/42/29/586594229.db2.gz MJZWTCBBXKCSGC-VIFPVBQESA-N 0 3 237.255 2.125 20 5 BEBDHN CC(COC(=O)C[C@@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000813115208 586594289 /nfs/dbraw/zinc/59/42/89/586594289.db2.gz MVYVNMRIJHDVDP-MXWKQRLJSA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)CC(C)(C)C1CC1)[N+](=O)[O-] ZINC000816090888 586706340 /nfs/dbraw/zinc/70/63/40/586706340.db2.gz BWRORMBHIUDMIR-QMMMGPOBSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)[C@@H]1CC2CCC1CC2)[N+](=O)[O-] ZINC000816090876 586707363 /nfs/dbraw/zinc/70/73/63/586707363.db2.gz BBGIVHFCHGNODZ-AGVGLQIMSA-N 0 3 241.287 2.021 20 5 BEBDHN CC[C@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000835453864 587802952 /nfs/dbraw/zinc/80/29/52/587802952.db2.gz HNOWCUKBRIEUOI-NXEZZACHSA-N 0 3 231.292 2.267 20 5 BEBDHN CC(COC(=O)[C@]1(C)CCC[C@@H]1C)[N+](=O)[O-] ZINC000835455080 587803133 /nfs/dbraw/zinc/80/31/33/587803133.db2.gz MJSFZRBULZKESO-IQJOONFLSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)[C@H]1CC[C@@H](C)[C@H](C)C1)[N+](=O)[O-] ZINC000835457086 587803243 /nfs/dbraw/zinc/80/32/43/587803243.db2.gz WTDCAOLBEQFAQO-DBIOUOCHSA-N 0 3 243.303 2.267 20 5 BEBDHN CC(COC(=O)[C@H]1CC[C@@H](C)[C@@H](C)C1)[N+](=O)[O-] ZINC000835457088 587803349 /nfs/dbraw/zinc/80/33/49/587803349.db2.gz WTDCAOLBEQFAQO-RCWTZXSCSA-N 0 3 243.303 2.267 20 5 BEBDHN CC1=C(C)C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000842801972 588065013 /nfs/dbraw/zinc/06/50/13/588065013.db2.gz OEJFELQLGCEVLV-MNOVXSKESA-N 0 3 241.287 2.331 20 5 BEBDHN CC(COC(=O)[C@H]1C[C@H]1C1CCCC1)[N+](=O)[O-] ZINC000845577043 588233752 /nfs/dbraw/zinc/23/37/52/588233752.db2.gz QZEHHZNCJXAMLY-MIMYLULJSA-N 0 3 241.287 2.021 20 5 BEBDHN CC(COC(=O)[C@H]1CC[C@H](C)CC1)[N+](=O)[O-] ZINC000845577533 588233864 /nfs/dbraw/zinc/23/38/64/588233864.db2.gz VMRPSKXIWOEDRQ-OPRDCNLKSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845872513 588249435 /nfs/dbraw/zinc/24/94/35/588249435.db2.gz ISNNYTLHRUNGST-RDDDGLTNSA-N 0 3 241.218 2.095 20 5 BEBDHN CCCC[C@@](C)(F)C(=O)OCC(C)[N+](=O)[O-] ZINC000851035946 588585740 /nfs/dbraw/zinc/58/57/40/588585740.db2.gz ACPPUAZBWHKFEB-PSASIEDQSA-N 0 3 235.255 2.113 20 5 BEBDHN CC(COC(=O)c1ccc(C(F)F)o1)[N+](=O)[O-] ZINC000860777838 589119378 /nfs/dbraw/zinc/11/93/78/589119378.db2.gz XDUWJISJEWCOOV-RXMQYKEDSA-N 0 3 249.169 2.039 20 5 BEBDHN CC(COC(=O)c1coc(C(F)F)c1)[N+](=O)[O-] ZINC000860777670 589119538 /nfs/dbraw/zinc/11/95/38/589119538.db2.gz SKYWHTNTGDASGL-RXMQYKEDSA-N 0 3 249.169 2.039 20 5 BEBDHN CC(COC(=O)c1cscc1Cl)[N+](=O)[O-] ZINC000870376728 589661230 /nfs/dbraw/zinc/66/12/30/589661230.db2.gz LLUNJXFYFWTCFP-RXMQYKEDSA-N 0 3 249.675 2.224 20 5 BEBDHN C[C@H](CNCC[N+](=O)[O-])Sc1ccccc1 ZINC000905132985 637644493 /nfs/dbraw/zinc/64/44/93/637644493.db2.gz DMGYSAGTJHZPKF-SNVBAGLBSA-N 0 3 240.328 2.034 20 5 BEBDHN C[C@@H]1CCc2ccccc2[C@@H]1NCC[N+](=O)[O-] ZINC000905190511 637672401 /nfs/dbraw/zinc/67/24/01/637672401.db2.gz KZYAKRKHDZECCI-ZWNOBZJWSA-N 0 3 234.299 2.176 20 5 BEBDHN C[C@@H]1CCN(CC[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000929260205 646041975 /nfs/dbraw/zinc/04/19/75/646041975.db2.gz VIZKDHIOWGMACQ-WOPDTQHZSA-N 0 3 226.320 2.164 20 5 BEBDHN C[C@H](NC1CSC1)c1ccc([N+](=O)[O-])cc1 ZINC000706495796 712147307 /nfs/dbraw/zinc/14/73/07/712147307.db2.gz QOWMKQUQXLERBF-QMMMGPOBSA-N 0 3 238.312 2.361 20 5 BEBDHN C[C@@H]1[C@@H](Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000719578066 712811864 /nfs/dbraw/zinc/81/18/64/712811864.db2.gz MHPBAROIEDIXPB-ZJUUUORDSA-N 0 3 235.287 2.099 20 5 BEBDHN CC1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597900 969742833 /nfs/dbraw/zinc/74/28/33/969742833.db2.gz IYFKAHOCELNYDA-ZDUSSCGKSA-N 0 3 232.283 2.014 20 5 BEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2C[C@@H]3CC[C@H]2O3)c1 ZINC001179834261 978761593 /nfs/dbraw/zinc/76/15/93/978761593.db2.gz IZVCUBFWNHCGAG-YNEHKIRRSA-N 0 3 248.282 2.004 20 5 BEBDHN C[C@@H](C[N+](C)(C)C)Oc1nc2ccsc2[n-]1 ZINC001234848520 978916927 /nfs/dbraw/zinc/91/69/27/978916927.db2.gz QLBALEXGESAJIQ-QMMMGPOBSA-N 0 3 240.352 2.098 20 5 BEBDHN O=[N+]([O-])CCN[C@H](CC1CC1)c1ccccc1 ZINC001340731928 979082815 /nfs/dbraw/zinc/08/28/15/979082815.db2.gz QPTAVHATIXPSCN-CYBMUJFWSA-N 0 3 234.299 2.394 20 5 BEBDHN CCN(CCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000048040875 343704138 /nfs/dbraw/zinc/70/41/38/343704138.db2.gz FKFPIKONEOOTAB-UHFFFAOYSA-N 0 3 238.287 2.063 20 5 BEBDHN CC(C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000033976029 345814164 /nfs/dbraw/zinc/81/41/64/345814164.db2.gz CSUJXTQSLYPFTJ-UHFFFAOYSA-N 0 3 249.314 2.125 20 5 BEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000594983662 348164746 /nfs/dbraw/zinc/16/47/46/348164746.db2.gz AGQAVEFYKGQTRC-CLLJXQQHSA-N 0 3 232.283 2.483 20 5 BEBDHN CC[C@@H](O)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000164200287 352567063 /nfs/dbraw/zinc/56/70/63/352567063.db2.gz DNMXOIOXJDLMNI-VHSXEESVSA-N 0 3 238.287 2.016 20 5 BEBDHN CC1(C)C[C@@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000044371137 188123760 /nfs/dbraw/zinc/12/37/60/188123760.db2.gz LYBZLYXRYZZJPT-NSHDSACASA-N 0 3 220.272 2.483 20 5 BEBDHN CC[C@H](N[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602181 358002624 /nfs/dbraw/zinc/00/26/24/358002624.db2.gz YMZYDDOIMRWRPL-SKDRFNHKSA-N 0 3 238.287 2.016 20 5 BEBDHN CCC[C@H](NCCO)c1cccc([N+](=O)[O-])c1 ZINC000020596850 371301569 /nfs/dbraw/zinc/30/15/69/371301569.db2.gz LCKXXVQXYPDAPL-LBPRGKRZSA-N 0 3 238.287 2.018 20 5 BEBDHN O=[N+]([O-])c1ccc(CNC[C@H]2CCC=CO2)cc1 ZINC000050269149 383984952 /nfs/dbraw/zinc/98/49/52/383984952.db2.gz QBRDJNGDHMAGGZ-CYBMUJFWSA-N 0 3 248.282 2.377 20 5 BEBDHN C[C@@H](F)CCNCc1csc([N+](=O)[O-])c1 ZINC000339496272 383992589 /nfs/dbraw/zinc/99/25/89/383992589.db2.gz QNDCUZAXDKVQPM-SSDOTTSWSA-N 0 3 232.280 2.494 20 5 BEBDHN COC[C@@H](C)CNCc1csc([N+](=O)[O-])c1 ZINC000045657969 384403575 /nfs/dbraw/zinc/40/35/75/384403575.db2.gz BWBXMTGZVQLEFT-QMMMGPOBSA-N 0 3 244.316 2.028 20 5 BEBDHN Cc1ccc(CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000179304433 384853337 /nfs/dbraw/zinc/85/33/37/384853337.db2.gz UKLXVXYDKHVMHT-UHFFFAOYSA-N 0 3 220.272 2.497 20 5 BEBDHN O=[N+]([O-])c1ccccc1CNCCC1CC1 ZINC000083893548 384921709 /nfs/dbraw/zinc/92/17/09/384921709.db2.gz ACXHFEGCDXJYNK-UHFFFAOYSA-N 0 3 220.272 2.485 20 5 BEBDHN CO[C@H](C)CCNCc1cccc([N+](=O)[O-])c1 ZINC000263823705 385149923 /nfs/dbraw/zinc/14/99/23/385149923.db2.gz RCFDKFKXKNBNDD-SNVBAGLBSA-N 0 3 238.287 2.109 20 5 BEBDHN Cc1ccc(CN[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000052273904 385714294 /nfs/dbraw/zinc/71/42/94/385714294.db2.gz GBFDEEYIOSVEOQ-ONGXEEELSA-N 0 3 220.272 2.401 20 5 BEBDHN COc1ccc(CN[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000052287978 385719712 /nfs/dbraw/zinc/71/97/12/385719712.db2.gz HEXDSPNRRSYOSU-SCZZXKLOSA-N 0 3 236.271 2.101 20 5 BEBDHN CN(C)C[C@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000268107583 386854574 /nfs/dbraw/zinc/85/45/74/386854574.db2.gz DJCOMFGGPORUMN-LLVKDONJSA-N 0 3 249.314 2.125 20 5 BEBDHN CCSCCNCc1ccccc1[N+](=O)[O-] ZINC000164793881 386927560 /nfs/dbraw/zinc/92/75/60/386927560.db2.gz LRQIVGTTYRYKBT-UHFFFAOYSA-N 0 3 240.328 2.438 20 5 BEBDHN CO[C@H](C)CNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000191204140 387354297 /nfs/dbraw/zinc/35/42/97/387354297.db2.gz WUPVXSQXHCVWTB-SNVBAGLBSA-N 0 3 238.287 2.028 20 5 BEBDHN O=[N+]([O-])c1cccc(CNCCCF)c1 ZINC000088024874 387517657 /nfs/dbraw/zinc/51/76/57/387517657.db2.gz VBJPPVJSRWAJKC-UHFFFAOYSA-N 0 3 212.224 2.044 20 5 BEBDHN COCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152119930 387601995 /nfs/dbraw/zinc/60/19/95/387601995.db2.gz FCCMATPHBLHMTN-JTQLQIEISA-N 0 3 238.287 2.200 20 5 BEBDHN CCOCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036228500 387882958 /nfs/dbraw/zinc/88/29/58/387882958.db2.gz VNEORAQSALCPAB-SNVBAGLBSA-N 0 3 238.287 2.282 20 5 BEBDHN CCOCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036228495 387883471 /nfs/dbraw/zinc/88/34/71/387883471.db2.gz VNEORAQSALCPAB-JTQLQIEISA-N 0 3 238.287 2.282 20 5 BEBDHN COC[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176856 388191357 /nfs/dbraw/zinc/19/13/57/388191357.db2.gz LAZOFZYEWGCSSJ-ZJUUUORDSA-N 0 3 238.287 2.280 20 5 BEBDHN C[C@@H](N[C@@H](C)CCO)c1ccc([N+](=O)[O-])cc1 ZINC000122896902 388582606 /nfs/dbraw/zinc/58/26/06/388582606.db2.gz PZFJXPYCVXTCSQ-VHSXEESVSA-N 0 3 238.287 2.016 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(NC2CCN(C)CC2)c1 ZINC000094659385 388637459 /nfs/dbraw/zinc/63/74/59/388637459.db2.gz DETWQSYCDQCXJB-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN CN(CCN(C)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000274458847 388732240 /nfs/dbraw/zinc/73/22/40/388732240.db2.gz KAPUERLFVNVPJE-UHFFFAOYSA-N 0 3 249.314 2.125 20 5 BEBDHN CCN(C)CCc1ccccc1[N+](=O)[O-] ZINC000285444150 388834737 /nfs/dbraw/zinc/83/47/37/388834737.db2.gz XWFUWMNUQCOHNC-UHFFFAOYSA-N 0 3 208.261 2.089 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)NC[C@H]2C)c1 ZINC000251016871 132232429 /nfs/dbraw/zinc/23/24/29/132232429.db2.gz NUQQWHFRSANZIK-WDEREUQCSA-N 0 3 249.314 2.090 20 5 BEBDHN C[C@H](CN(C)C)Nc1ccc([N+](=O)[O-])cc1F ZINC000169012035 134248825 /nfs/dbraw/zinc/24/88/25/134248825.db2.gz IXUYKKGIMZXPJL-MRVPVSSYSA-N 0 3 241.266 2.096 20 5 BEBDHN CN(c1ccccc1[N+](=O)[O-])[C@H]1CCCN(C)C1 ZINC000265996801 135146720 /nfs/dbraw/zinc/14/67/20/135146720.db2.gz JVMVZGWILYSMRL-NSHDSACASA-N 0 3 249.314 2.125 20 5 BEBDHN C[C@@H]1C[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000136403007 397734361 /nfs/dbraw/zinc/73/43/61/397734361.db2.gz AUQIAOGYJKKUBM-KOLCDFICSA-N 0 3 220.272 2.340 20 5 BEBDHN CC1CC(NCc2cccc([N+](=O)[O-])c2)C1 ZINC000080273115 168147340 /nfs/dbraw/zinc/14/73/40/168147340.db2.gz QIOJYJPTHJDUCU-UHFFFAOYSA-N 0 3 220.272 2.483 20 5 BEBDHN CN(CCNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000059035204 411498702 /nfs/dbraw/zinc/49/87/02/411498702.db2.gz NSYFDQAYXVJJEY-UHFFFAOYSA-N 0 3 235.287 2.101 20 5 BEBDHN CCC(CC)(CNCC[N+](=O)[O-])C(F)(F)F ZINC000905404499 637796363 /nfs/dbraw/zinc/79/63/63/637796363.db2.gz KNPSYUMTDGWPCK-UHFFFAOYSA-N 0 3 242.241 2.221 20 5 BEBDHN Cc1cc(NCCN2CCCC2)ccc1[N+](=O)[O-] ZINC000048334724 322845774 /nfs/dbraw/zinc/84/57/74/322845774.db2.gz YIEYTQLNJCTHBW-UHFFFAOYSA-N 0 3 249.314 2.411 20 5 BEBDHN CC(COC(=O)[C@H]1CCCC1(C)C)[N+](=O)[O-] ZINC000813113816 582590858 /nfs/dbraw/zinc/59/08/58/582590858.db2.gz JKSMTCFRYIAMHC-RKDXNWHRSA-N 0 3 229.276 2.021 20 5 BEBDHN CC[C@@H]1CCC[C@@]1(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000893048764 583038066 /nfs/dbraw/zinc/03/80/66/583038066.db2.gz YCVGJCXONVMFCD-CKYFFXLPSA-N 0 3 243.303 2.411 20 5 BEBDHN CC[C@@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000899860332 584242735 /nfs/dbraw/zinc/24/27/35/584242735.db2.gz JWISLMDJGVLRMR-NSHDSACASA-N 0 3 222.288 2.047 20 5 BEBDHN CC(C)CCC[C@H](C)NCC[N+](=O)[O-] ZINC000899855879 584243227 /nfs/dbraw/zinc/24/32/27/584243227.db2.gz MGCNTLLEZKWEFM-JTQLQIEISA-N 0 3 202.298 2.068 20 5 BEBDHN CN[C@H](C)c1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901399334 584438673 /nfs/dbraw/zinc/43/86/73/584438673.db2.gz SFNIWGQDWWPMRE-ZCFIWIBFSA-N 0 3 237.215 2.123 20 5 BEBDHN C[C@@H]1CCCN1CCNc1ccccc1[N+](=O)[O-] ZINC000742427322 585126065 /nfs/dbraw/zinc/12/60/65/585126065.db2.gz HPYLCRZEDICJFZ-LLVKDONJSA-N 0 3 249.314 2.491 20 5 BEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]2C[C@@H]21 ZINC000761090840 585407994 /nfs/dbraw/zinc/40/79/94/585407994.db2.gz IBUBCGKRPGZNFK-PWSUYJOCSA-N 0 3 248.282 2.068 20 5 BEBDHN CC[C@@H](Cc1ccccc1)N(C)CC[N+](=O)[O-] ZINC000791051343 585972597 /nfs/dbraw/zinc/97/25/97/585972597.db2.gz BFGVFANRHBGJHU-ZDUSSCGKSA-N 0 3 236.315 2.216 20 5 BEBDHN Cc1cccc([C@@H]2CCCN2CC[N+](=O)[O-])c1 ZINC000791052956 585972871 /nfs/dbraw/zinc/97/28/71/585972871.db2.gz PZDWWFWURMTIRO-ZDUSSCGKSA-N 0 3 234.299 2.409 20 5 BEBDHN CC(COC(=O)CC1CC(C)(C)C1)[N+](=O)[O-] ZINC000797281116 586125012 /nfs/dbraw/zinc/12/50/12/586125012.db2.gz QJIHSUAYZSZJPG-QMMMGPOBSA-N 0 3 229.276 2.021 20 5 BEBDHN CCC(CC)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102782 586592037 /nfs/dbraw/zinc/59/20/37/586592037.db2.gz VMGRMVVCLBCOJO-MRVPVSSYSA-N 0 3 217.265 2.021 20 5 BEBDHN CC(COC(=O)[C@H](C)c1ccsc1)[N+](=O)[O-] ZINC000813102625 586592206 /nfs/dbraw/zinc/59/22/06/586592206.db2.gz UCCLKQHVZGFPFX-JGVFFNPUSA-N 0 3 243.284 2.060 20 5 BEBDHN CC(COC(=O)C[C@H]1CCC[C@H]1C)[N+](=O)[O-] ZINC000813103564 586592248 /nfs/dbraw/zinc/59/22/48/586592248.db2.gz QLSCIIDBZVIOCV-OPRDCNLKSA-N 0 3 229.276 2.021 20 5 BEBDHN CCCC[C@@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105095 586592388 /nfs/dbraw/zinc/59/23/88/586592388.db2.gz JNTYPZWUCGODCR-VHSXEESVSA-N 0 3 231.292 2.411 20 5 BEBDHN CC(COC(=O)C[C@@H]1CCC[C@H]1C)[N+](=O)[O-] ZINC000813103565 586592458 /nfs/dbraw/zinc/59/24/58/586592458.db2.gz QLSCIIDBZVIOCV-UTLUCORTSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)c1cc2ccccc2o1)[N+](=O)[O-] ZINC000813103942 586592522 /nfs/dbraw/zinc/59/25/22/586592522.db2.gz VBNKOQCBHOTQKY-QMMMGPOBSA-N 0 3 249.222 2.255 20 5 BEBDHN CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813106594 586592772 /nfs/dbraw/zinc/59/27/72/586592772.db2.gz FQRVGLBAXGUNGE-NXEZZACHSA-N 0 3 231.292 2.267 20 5 BEBDHN CC(COC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)[N+](=O)[O-] ZINC000813106298 586592906 /nfs/dbraw/zinc/59/29/06/586592906.db2.gz ADCUAJOKDHPFGJ-YTWAJWBKSA-N 0 3 243.303 2.267 20 5 BEBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813112742 586593909 /nfs/dbraw/zinc/59/39/09/586593909.db2.gz KGQQQVISPOITBL-UQSGXBNBSA-N 0 3 249.266 2.298 20 5 BEBDHN CCCC(C)(C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813114414 586594166 /nfs/dbraw/zinc/59/41/66/586594166.db2.gz RECJFJQZVLTTTQ-VIFPVBQESA-N 0 3 231.292 2.411 20 5 BEBDHN C=Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000835453573 587802745 /nfs/dbraw/zinc/80/27/45/587802745.db2.gz CZCKPXZZYNVSNG-VIFPVBQESA-N 0 3 235.239 2.152 20 5 BEBDHN CC1=C(C)C[C@H](C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000842801971 588064942 /nfs/dbraw/zinc/06/49/42/588064942.db2.gz OEJFELQLGCEVLV-GHMZBOCLSA-N 0 3 241.287 2.331 20 5 BEBDHN CCCC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000845576559 588233737 /nfs/dbraw/zinc/23/37/37/588233737.db2.gz MYDUILRBMBARBC-QMMMGPOBSA-N 0 3 217.265 2.021 20 5 BEBDHN C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NCCF ZINC000866352770 589487872 /nfs/dbraw/zinc/48/78/72/589487872.db2.gz LWIUYABSKYAYME-MRVPVSSYSA-N 0 3 244.241 2.224 20 5 BEBDHN Cc1cc(C)c(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000870378459 589661370 /nfs/dbraw/zinc/66/13/70/589661370.db2.gz WZSHQUBPQZFKTR-SSDOTTSWSA-N 0 3 243.284 2.187 20 5 BEBDHN CC[C@H](CO)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526263 590118806 /nfs/dbraw/zinc/11/88/06/590118806.db2.gz WZOJXYBOOKAPFR-NXEZZACHSA-N 0 3 238.287 2.016 20 5 BEBDHN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@H](C)CN1C ZINC000209670066 590655809 /nfs/dbraw/zinc/65/58/09/590655809.db2.gz MWYQZOTVDSARTG-GHMZBOCLSA-N 0 3 249.314 2.124 20 5 BEBDHN O=[N+]([O-])c1cccc(CN2CC[C@H](CF)C2)c1 ZINC000880292546 590987327 /nfs/dbraw/zinc/98/73/27/590987327.db2.gz QZPAKGCXPLGCIH-LLVKDONJSA-N 0 3 238.262 2.386 20 5 BEBDHN C[C@H](CCO)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000098005680 631346195 /nfs/dbraw/zinc/34/61/95/631346195.db2.gz RPDUIOABVBVSFC-ZJUUUORDSA-N 0 3 238.287 2.016 20 5 BEBDHN CC1(C)C[C@@]1(CNCC[N+](=O)[O-])c1ccccc1 ZINC000905386203 637786824 /nfs/dbraw/zinc/78/68/24/637786824.db2.gz OOECPOKOEDOSFE-CQSZACIVSA-N 0 3 248.326 2.221 20 5 BEBDHN Cc1ccc([C@H]2CCN(CC[N+](=O)[O-])C2)c(C)c1 ZINC000930274600 639677889 /nfs/dbraw/zinc/67/78/89/639677889.db2.gz VSEBERUYWGBNCK-ZDUSSCGKSA-N 0 3 248.326 2.369 20 5 BEBDHN C[C@@H]1C[C@@H](C(C)(C)C)CCN1CC[N+](=O)[O-] ZINC000930492217 639781031 /nfs/dbraw/zinc/78/10/31/639781031.db2.gz FDWAHHDAMRQLTL-MNOVXSKESA-N 0 3 228.336 2.410 20 5 BEBDHN C[C@@H]1C[C@H](C(C)(C)C)CCN1CC[N+](=O)[O-] ZINC000930492215 639782502 /nfs/dbraw/zinc/78/25/02/639782502.db2.gz FDWAHHDAMRQLTL-GHMZBOCLSA-N 0 3 228.336 2.410 20 5 BEBDHN CCCN(C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000063730666 641219542 /nfs/dbraw/zinc/21/95/42/641219542.db2.gz PUYARHJJVADHKR-UHFFFAOYSA-N 0 3 248.286 2.244 20 5 BEBDHN CCN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000080112868 644234771 /nfs/dbraw/zinc/23/47/71/644234771.db2.gz TUALLWKKOWYEHU-UHFFFAOYSA-N 0 3 208.261 2.355 20 5 BEBDHN C[C@@H]1CN(CC[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000929713912 646266844 /nfs/dbraw/zinc/26/68/44/646266844.db2.gz HXOJKVHHRHUMLZ-TZMCWYRMSA-N 0 3 248.326 2.389 20 5 BEBDHN CCCNc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001168132141 963818823 /nfs/dbraw/zinc/81/88/23/963818823.db2.gz VQPOWADPPHXGAG-UHFFFAOYSA-N 0 3 221.260 2.020 20 5 BEBDHN CC[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001168000582 1167135578 /nfs/dbraw/zinc/13/55/78/1167135578.db2.gz QMWQOJOBHXCMHF-QMMMGPOBSA-N 0 3 235.287 2.408 20 5 BEBDHN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC(C)C1 ZINC001254550608 969735916 /nfs/dbraw/zinc/73/59/16/969735916.db2.gz NDDZIRSGORAUHR-LLVKDONJSA-N 0 3 234.299 2.478 20 5 BEBDHN CC1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254597899 969743793 /nfs/dbraw/zinc/74/37/93/969743793.db2.gz IYFKAHOCELNYDA-CYBMUJFWSA-N 0 3 232.283 2.014 20 5 BEBDHN C[C@@H]1CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593333 969746198 /nfs/dbraw/zinc/74/61/98/969746198.db2.gz KVPBZWPRDSSIBE-NOZJJQNGSA-N 0 3 232.283 2.156 20 5 BEBDHN C[C@@H]1CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254593334 969746351 /nfs/dbraw/zinc/74/63/51/969746351.db2.gz KVPBZWPRDSSIBE-RNCFNFMXSA-N 0 3 232.283 2.156 20 5 BEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1F ZINC001173218960 975074605 /nfs/dbraw/zinc/07/46/05/975074605.db2.gz USULRDLWNZPVIV-GGZOMVNGSA-N 0 3 238.262 2.226 20 5 BEBDHN C[C@H](C[N+](C)(C)C)Oc1nc2ccsc2[n-]1 ZINC001234848515 978917701 /nfs/dbraw/zinc/91/77/01/978917701.db2.gz QLBALEXGESAJIQ-MRVPVSSYSA-N 0 3 240.352 2.098 20 5 BEBDHN Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN(C)C1 ZINC000158658621 981304494 /nfs/dbraw/zinc/30/44/94/981304494.db2.gz XFURNPDALMPBCT-JTQLQIEISA-N 0 3 235.287 2.019 20 5 BEBDHN CC(COC(=O)[C@H]1CCC=CCCC1)[N+](=O)[O-] ZINC001348532991 981384192 /nfs/dbraw/zinc/38/41/92/981384192.db2.gz HFQQCMLSNDAYJG-MNOVXSKESA-N 0 3 241.287 2.331 20 5 BEBDHN Cc1ccc([C@@H]2C[C@H](C)N(CC[N+](=O)[O-])C2)cc1 ZINC001262277776 992834683 /nfs/dbraw/zinc/83/46/83/992834683.db2.gz OGJOJTIAJIGJAA-GXTWGEPZSA-N 0 3 248.326 2.450 20 5 BEBDHN Cc1cc([N+](=O)[O-])ccc1NCCN1CCCC1 ZINC000054128713 178272444 /nfs/dbraw/zinc/27/24/44/178272444.db2.gz XSVLJKDPCRSASR-UHFFFAOYSA-N 0 3 249.314 2.411 20 5 BEBDHN O=[N+]([O-])c1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1 ZINC000600184955 342697967 /nfs/dbraw/zinc/69/79/67/342697967.db2.gz JAAMVVTWKAZGMI-PHIMTYICSA-N 0 3 218.256 2.047 20 5 BEBDHN COC[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087678 398304183 /nfs/dbraw/zinc/30/41/83/398304183.db2.gz CBZBNTCDUNHVCM-ZJUUUORDSA-N 0 3 238.287 2.280 20 5 BEBDHN CC[C@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020196123 398316162 /nfs/dbraw/zinc/31/61/62/398316162.db2.gz VQNBKJNGZYFVNN-GXSJLCMTSA-N 0 3 238.287 2.016 20 5 BEBDHN O=[N+]([O-])c1ccccc1NCCN1CCCC1 ZINC000048322153 343015748 /nfs/dbraw/zinc/01/57/48/343015748.db2.gz GKUODVFXGLEOKW-UHFFFAOYSA-N 0 3 235.287 2.103 20 5 BEBDHN Cc1cc(N2CCCN(C)CC2)ccc1[N+](=O)[O-] ZINC000076427647 344805494 /nfs/dbraw/zinc/80/54/94/344805494.db2.gz LONVRHSYAJSNFL-UHFFFAOYSA-N 0 3 249.314 2.045 20 5 BEBDHN COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC1 ZINC000595009681 348159225 /nfs/dbraw/zinc/15/92/25/348159225.db2.gz ZJWLACHDCACHJO-QMMMGPOBSA-N 0 3 236.271 2.416 20 5 BEBDHN O=[N+]([O-])c1cccc(CN2CC[C@H]3C[C@H]3C2)c1 ZINC000595806751 348348351 /nfs/dbraw/zinc/34/83/51/348348351.db2.gz FYIPPRBVUYMWRU-RYUDHWBXSA-N 0 3 232.283 2.437 20 5 BEBDHN CN1CC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000309475148 350562837 /nfs/dbraw/zinc/56/28/37/350562837.db2.gz RPWITYFKXUHXCM-QMMMGPOBSA-N 0 3 241.316 2.020 20 5 BEBDHN COc1ccc(CNC2CCC2)cc1[N+](=O)[O-] ZINC000052210505 350967846 /nfs/dbraw/zinc/96/78/46/350967846.db2.gz RPJPVBNLZRACPH-UHFFFAOYSA-N 0 3 236.271 2.246 20 5 BEBDHN CC[C@H](N[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602179 358002600 /nfs/dbraw/zinc/00/26/00/358002600.db2.gz YMZYDDOIMRWRPL-CABZTGNLSA-N 0 3 238.287 2.016 20 5 BEBDHN CCN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000077242907 325371231 /nfs/dbraw/zinc/37/12/31/325371231.db2.gz NHIURJPOTQKNIC-UHFFFAOYSA-N 0 3 224.260 2.055 20 5 BEBDHN COC[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176854 361720366 /nfs/dbraw/zinc/72/03/66/361720366.db2.gz LAZOFZYEWGCSSJ-UWVGGRQHSA-N 0 3 238.287 2.280 20 5 BEBDHN C[C@@H](N[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000131202417 371569012 /nfs/dbraw/zinc/56/90/12/371569012.db2.gz VMEFVUIKAUQXFK-MWLCHTKSSA-N 0 3 236.271 2.034 20 5 BEBDHN CC(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602509415 371817043 /nfs/dbraw/zinc/81/70/43/371817043.db2.gz XGWMBQVITFLLCN-UHFFFAOYSA-N 0 3 235.243 2.234 20 5 BEBDHN CC[C@@H](CNCc1ccccc1[N+](=O)[O-])OC ZINC000289742082 385138096 /nfs/dbraw/zinc/13/80/96/385138096.db2.gz HOMUKQNNBWHUDU-NSHDSACASA-N 0 3 238.287 2.109 20 5 BEBDHN CC[C@H](CNCc1ccccc1[N+](=O)[O-])OC ZINC000289742079 385138498 /nfs/dbraw/zinc/13/84/98/385138498.db2.gz HOMUKQNNBWHUDU-LLVKDONJSA-N 0 3 238.287 2.109 20 5 BEBDHN CO[C@H](C)CCNCc1csc([N+](=O)[O-])c1 ZINC000263815756 385146739 /nfs/dbraw/zinc/14/67/39/385146739.db2.gz OKCRKLGFYBHKCT-MRVPVSSYSA-N 0 3 244.316 2.171 20 5 BEBDHN COC[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000034995534 385685386 /nfs/dbraw/zinc/68/53/86/385685386.db2.gz LONNUXGACJVHOJ-SNVBAGLBSA-N 0 3 238.287 2.028 20 5 BEBDHN CN(C)C1(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000397801571 385712251 /nfs/dbraw/zinc/71/22/51/385712251.db2.gz ASDWCWQRHLURPG-UHFFFAOYSA-N 0 3 235.287 2.101 20 5 BEBDHN Cc1cccc(NC2CCN(C)CC2)c1[N+](=O)[O-] ZINC000218829544 386026440 /nfs/dbraw/zinc/02/64/40/386026440.db2.gz ZWDHWTJQUQUUJS-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN CCN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183252270 386416899 /nfs/dbraw/zinc/41/68/99/386416899.db2.gz SCUCSWRCOIRHRC-UHFFFAOYSA-N 0 3 208.261 2.355 20 5 BEBDHN CN(CCN1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000301213090 386824667 /nfs/dbraw/zinc/82/46/67/386824667.db2.gz WCGOCEGYBXXJTB-UHFFFAOYSA-N 0 3 249.314 2.127 20 5 BEBDHN CO[C@H](C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000191201022 387354337 /nfs/dbraw/zinc/35/43/37/387354337.db2.gz DRKDRVXXIUCKCJ-NXEZZACHSA-N 0 3 238.287 2.280 20 5 BEBDHN C[C@H](NC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037176683 388191670 /nfs/dbraw/zinc/19/16/70/388191670.db2.gz SAQAFMNVVVEYOV-QMMMGPOBSA-N 0 3 206.245 2.408 20 5 BEBDHN CS[C@H](C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000122216330 388368059 /nfs/dbraw/zinc/36/80/59/388368059.db2.gz NDGUADDBWFLAPS-SECBINFHSA-N 0 3 240.328 2.436 20 5 BEBDHN C[C@@H](NCc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000054765051 388584875 /nfs/dbraw/zinc/58/48/75/388584875.db2.gz NMWFLACWFOKWGT-SECBINFHSA-N 0 3 246.270 2.169 20 5 BEBDHN O=[N+]([O-])c1cccc(CNC2CC(F)(F)C2)c1 ZINC000277364714 388746940 /nfs/dbraw/zinc/74/69/40/388746940.db2.gz BETCIHIWVIWAKL-UHFFFAOYSA-N 0 3 242.225 2.482 20 5 BEBDHN CSC[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000124991794 388763996 /nfs/dbraw/zinc/76/39/96/388763996.db2.gz SLVLSGGJUMKSGO-SECBINFHSA-N 0 3 240.328 2.436 20 5 BEBDHN Cc1c[nH]c(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC001650854145 1172904919 /nfs/dbraw/zinc/90/49/19/1172904919.db2.gz XIXGZLWDSIDNDY-UHFFFAOYSA-N 0 3 218.216 2.370 20 5 BEBDHN CN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000044563076 173009732 /nfs/dbraw/zinc/00/97/32/173009732.db2.gz FMIFRSSJOYPLNX-ZDUSSCGKSA-N 0 3 249.314 2.491 20 5 BEBDHN COCC[C@@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000082367511 174384622 /nfs/dbraw/zinc/38/46/22/174384622.db2.gz JUUZHMMVHPOLRG-MRVPVSSYSA-N 0 3 244.316 2.171 20 5 BEBDHN CCC[C@@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813106596 586592878 /nfs/dbraw/zinc/59/28/78/586592878.db2.gz FQRVGLBAXGUNGE-VHSXEESVSA-N 0 3 231.292 2.267 20 5 BEBDHN Cc1c(CN(C)C2CC2)cccc1[N+](=O)[O-] ZINC000047914423 323072039 /nfs/dbraw/zinc/07/20/39/323072039.db2.gz UFIYCEWMRRRAIZ-UHFFFAOYSA-N 0 3 220.272 2.497 20 5 BEBDHN O=[N+]([O-])c1ccccc1CNCC1=CCOCC1 ZINC000397778431 323095910 /nfs/dbraw/zinc/09/59/10/323095910.db2.gz USTBSQRMKYHCNC-UHFFFAOYSA-N 0 3 248.282 2.031 20 5 BEBDHN CCCCS[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106237 582581425 /nfs/dbraw/zinc/58/14/25/582581425.db2.gz BEYPOTIPZOGRID-DTWKUNHWSA-N 0 3 249.332 2.117 20 5 BEBDHN CC(COC(=O)/C=C/C1CCCCC1)[N+](=O)[O-] ZINC000813107912 582584992 /nfs/dbraw/zinc/58/49/92/582584992.db2.gz YVBFYXMJMHSOCH-JARNTUPDSA-N 0 3 241.287 2.331 20 5 BEBDHN CC(COC(=O)C[C@@H]1CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813106243 582581772 /nfs/dbraw/zinc/58/17/72/582581772.db2.gz BFJDZXRXUGUSMG-KXUCPTDWSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)CCC1CCCC1)[N+](=O)[O-] ZINC000813112500 582589421 /nfs/dbraw/zinc/58/94/21/582589421.db2.gz QTCXJOXJGFUHIK-VIFPVBQESA-N 0 3 229.276 2.165 20 5 BEBDHN Cc1ccc(CCCNCC[N+](=O)[O-])c(C)c1 ZINC000899861749 584242909 /nfs/dbraw/zinc/24/29/09/584242909.db2.gz XLFLWTCDNMGPGY-UHFFFAOYSA-N 0 3 236.315 2.102 20 5 BEBDHN Cc1cc(C)c(CCNCC[N+](=O)[O-])c(C)c1 ZINC000899870126 584244748 /nfs/dbraw/zinc/24/47/48/584244748.db2.gz DYJMDZIQRYNKRJ-UHFFFAOYSA-N 0 3 236.315 2.021 20 5 BEBDHN CC(COC(=O)CC1CC(C)(C)C1)[N+](=O)[O-] ZINC000797281113 586124879 /nfs/dbraw/zinc/12/48/79/586124879.db2.gz QJIHSUAYZSZJPG-MRVPVSSYSA-N 0 3 229.276 2.021 20 5 BEBDHN CCC(CC)[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102619 586591855 /nfs/dbraw/zinc/59/18/55/586591855.db2.gz TVWBEMGCTRMGRD-RKDXNWHRSA-N 0 3 231.292 2.267 20 5 BEBDHN CC(COC(=O)c1coc2ccccc12)[N+](=O)[O-] ZINC000813106996 586592735 /nfs/dbraw/zinc/59/27/35/586592735.db2.gz JUVSWCMJAFGMKV-MRVPVSSYSA-N 0 3 249.222 2.255 20 5 BEBDHN CCCC1(C(=O)OCC(C)[N+](=O)[O-])CCC1 ZINC000813107100 586592900 /nfs/dbraw/zinc/59/29/00/586592900.db2.gz JRNARXPZDQYWKI-VIFPVBQESA-N 0 3 229.276 2.165 20 5 BEBDHN CCC[C@H](C(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813106595 586592939 /nfs/dbraw/zinc/59/29/39/586592939.db2.gz FQRVGLBAXGUNGE-UWVGGRQHSA-N 0 3 231.292 2.267 20 5 BEBDHN Cc1oc(C)c(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813107182 586592979 /nfs/dbraw/zinc/59/29/79/586592979.db2.gz LOLFCUFCMSYACK-LURJTMIESA-N 0 3 241.243 2.027 20 5 BEBDHN CCc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110489 586593599 /nfs/dbraw/zinc/59/35/99/586593599.db2.gz BRZGTABKDDIYMQ-SECBINFHSA-N 0 3 237.255 2.071 20 5 BEBDHN CC(C)c1ccoc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813111764 586593661 /nfs/dbraw/zinc/59/36/61/586593661.db2.gz XBIMQFAYAGLTFV-MRVPVSSYSA-N 0 3 241.243 2.225 20 5 BEBDHN CCCCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000813110968 586593780 /nfs/dbraw/zinc/59/37/80/586593780.db2.gz NFVIHAVQSFQAMT-SECBINFHSA-N 0 3 217.265 2.165 20 5 BEBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813112741 586593840 /nfs/dbraw/zinc/59/38/40/586593840.db2.gz KGQQQVISPOITBL-RJCSOLBVSA-N 0 3 249.266 2.298 20 5 BEBDHN CC(COC(=O)c1sccc1Cl)[N+](=O)[O-] ZINC000813113431 586593880 /nfs/dbraw/zinc/59/38/80/586593880.db2.gz PUNDKADRURQIKJ-YFKPBYRVSA-N 0 3 249.675 2.224 20 5 BEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)s1 ZINC000813113419 586594044 /nfs/dbraw/zinc/59/40/44/586594044.db2.gz PPZIVHWRAUINCF-ZCFIWIBFSA-N 0 3 243.284 2.187 20 5 BEBDHN CC(COC(=O)[C@@H]1CCCC1(C)C)[N+](=O)[O-] ZINC000813113813 586594159 /nfs/dbraw/zinc/59/41/59/586594159.db2.gz JKSMTCFRYIAMHC-BDAKNGLRSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)[C@H]1CC2CCC1CC2)[N+](=O)[O-] ZINC000816090878 586707606 /nfs/dbraw/zinc/70/76/06/586707606.db2.gz BBGIVHFCHGNODZ-PMUOWJKOSA-N 0 3 241.287 2.021 20 5 BEBDHN CC[C@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000835453867 587802770 /nfs/dbraw/zinc/80/27/70/587802770.db2.gz HNOWCUKBRIEUOI-VHSXEESVSA-N 0 3 231.292 2.267 20 5 BEBDHN CC[C@@H]1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000835453837 587802857 /nfs/dbraw/zinc/80/28/57/587802857.db2.gz HEWDZBUMJFEREX-OPRDCNLKSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(C)CCCC(=O)OCC(C)[N+](=O)[O-] ZINC000835454968 587802962 /nfs/dbraw/zinc/80/29/62/587802962.db2.gz LOMFYFNFXUNXBT-SECBINFHSA-N 0 3 217.265 2.021 20 5 BEBDHN CC(COC(=O)[C@@H]1C[C@H]1CC(C)(C)C)[N+](=O)[O-] ZINC000842802358 588064854 /nfs/dbraw/zinc/06/48/54/588064854.db2.gz WOFBETOZQQFIGC-KXUCPTDWSA-N 0 3 243.303 2.267 20 5 BEBDHN CCCC[C@@](C)(F)C(=O)OCC(C)[N+](=O)[O-] ZINC000851035949 588585604 /nfs/dbraw/zinc/58/56/04/588585604.db2.gz ACPPUAZBWHKFEB-WCBMZHEXSA-N 0 3 235.255 2.113 20 5 BEBDHN CC(COC(=O)[C@@H]1CCCC2(CC2)C1)[N+](=O)[O-] ZINC000851036544 588585640 /nfs/dbraw/zinc/58/56/40/588585640.db2.gz KGFGTRFKAWODLD-NXEZZACHSA-N 0 3 241.287 2.165 20 5 BEBDHN CC(COC(=O)c1cscc1Cl)[N+](=O)[O-] ZINC000870376729 589661057 /nfs/dbraw/zinc/66/10/57/589661057.db2.gz LLUNJXFYFWTCFP-YFKPBYRVSA-N 0 3 249.675 2.224 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(N2CCNC(C)(C)C2)c1 ZINC000212778616 591427167 /nfs/dbraw/zinc/42/71/67/591427167.db2.gz HSPNHAXBQRHDMZ-UHFFFAOYSA-N 0 3 249.314 2.091 20 5 BEBDHN CC(C)[C@@H](C)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000885943019 592111549 /nfs/dbraw/zinc/11/15/49/592111549.db2.gz WBNUTQGPLUJSEM-SNVBAGLBSA-N 0 3 237.303 2.466 20 5 BEBDHN CC(C)[C@H](C)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000885943018 592112300 /nfs/dbraw/zinc/11/23/00/592112300.db2.gz WBNUTQGPLUJSEM-JTQLQIEISA-N 0 3 237.303 2.466 20 5 BEBDHN CC(C)[C@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886038280 592138078 /nfs/dbraw/zinc/13/80/78/592138078.db2.gz SLXPVVFBNYAFMU-NSHDSACASA-N 0 3 249.314 2.468 20 5 BEBDHN C[C@@H]1CCC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886169834 592168593 /nfs/dbraw/zinc/16/85/93/592168593.db2.gz JPBIENYNCAIGIQ-MWLCHTKSSA-N 0 3 235.287 2.268 20 5 BEBDHN CC[C@H](NCc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886280418 592198452 /nfs/dbraw/zinc/19/84/52/592198452.db2.gz DQUWHKPCXAUKJK-NSHDSACASA-N 0 3 235.287 2.268 20 5 BEBDHN CC1(C)C[C@]1(CNCC[N+](=O)[O-])c1ccccc1 ZINC000905386202 637785882 /nfs/dbraw/zinc/78/58/82/637785882.db2.gz OOECPOKOEDOSFE-AWEZNQCLSA-N 0 3 248.326 2.221 20 5 BEBDHN O=[N+]([O-])CCN[C@H](c1ccccc1)C1CC1 ZINC000930238215 639645965 /nfs/dbraw/zinc/64/59/65/639645965.db2.gz CPCVDCUXYCKBJU-GFCCVEGCSA-N 0 3 220.272 2.004 20 5 BEBDHN CCC1(CC)CCCN(CC[N+](=O)[O-])C1 ZINC000931014067 640019310 /nfs/dbraw/zinc/01/93/10/640019310.db2.gz BNEZDJMYGRWJNQ-UHFFFAOYSA-N 0 3 214.309 2.165 20 5 BEBDHN C[C@]1(c2ccccc2)CCCN1CC[N+](=O)[O-] ZINC000931693658 640321038 /nfs/dbraw/zinc/32/10/38/640321038.db2.gz DXRNLWXRLRFPDN-CYBMUJFWSA-N 0 3 234.299 2.274 20 5 BEBDHN CN(CCC1CCCCC1)CC[N+](=O)[O-] ZINC000929470485 646130058 /nfs/dbraw/zinc/13/00/58/646130058.db2.gz WRPROWNZRMRVQI-UHFFFAOYSA-N 0 3 214.309 2.165 20 5 BEBDHN CCN1CC[C@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000712606677 712437349 /nfs/dbraw/zinc/43/73/49/712437349.db2.gz NPOXZIQANOULMO-LBPRGKRZSA-N 0 3 249.314 2.409 20 5 BEBDHN C[C@H]1[C@H](Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000719578064 712812064 /nfs/dbraw/zinc/81/20/64/712812064.db2.gz MHPBAROIEDIXPB-VHSXEESVSA-N 0 3 235.287 2.099 20 5 BEBDHN CC[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001168000581 1167135391 /nfs/dbraw/zinc/13/53/91/1167135391.db2.gz QMWQOJOBHXCMHF-MRVPVSSYSA-N 0 3 235.287 2.408 20 5 BEBDHN CC[C@@](C)(NCC[N+](=O)[O-])c1ccccc1 ZINC001333174800 975524320 /nfs/dbraw/zinc/52/43/20/975524320.db2.gz MYLRAHIMRJWEJJ-GFCCVEGCSA-N 0 3 222.288 2.178 20 5 BEBDHN Cc1cnccc1Nc1cccc([N+](=O)[O-])c1 ZINC001204407795 966989894 /nfs/dbraw/zinc/98/98/94/966989894.db2.gz RKVDNMPGWSPTDW-UHFFFAOYSA-N 0 3 229.239 2.464 20 5 BEBDHN Cc1cccc([N+](=O)[O-])c1-n1ccc([C@@H](C)N)n1 ZINC001169231940 969505975 /nfs/dbraw/zinc/50/59/75/969505975.db2.gz WXJFBMCDLXRWKH-SECBINFHSA-N 0 3 246.270 2.109 20 5 BEBDHN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC(C)C1 ZINC001254550609 969737089 /nfs/dbraw/zinc/73/70/89/969737089.db2.gz NDDZIRSGORAUHR-NSHDSACASA-N 0 3 234.299 2.478 20 5 BEBDHN CC1(C)CN(CC[N+](=O)[O-])CC(C)(C)C1 ZINC001332905805 1169970812 /nfs/dbraw/zinc/97/08/12/1169970812.db2.gz MXLNAXJASYFOQA-UHFFFAOYSA-N 0 3 214.309 2.021 20 5 BEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1C[C@H]1F ZINC001173218961 975072202 /nfs/dbraw/zinc/07/22/02/975072202.db2.gz USULRDLWNZPVIV-XXILOJSOSA-N 0 3 238.262 2.226 20 5 BEBDHN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC1 ZINC001173224386 975072727 /nfs/dbraw/zinc/07/27/27/975072727.db2.gz FHSBRXXCIZMODG-JTQLQIEISA-N 0 3 220.272 2.232 20 5 BEBDHN Cn1ccnc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174475286 976792368 /nfs/dbraw/zinc/79/23/68/976792368.db2.gz FQHTZPPTKILTOR-UHFFFAOYSA-N 0 3 218.216 2.072 20 5 BEBDHN C[C@H](C[N+](C)(C)C)Oc1cccc([O-])c1F ZINC001233873248 978719862 /nfs/dbraw/zinc/71/98/62/978719862.db2.gz XCEJIRUJMHJJFC-SECBINFHSA-O 0 3 228.287 2.005 20 5 BEBDHN Cc1c[nH+]ccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001199801168 983022023 /nfs/dbraw/zinc/02/20/23/983022023.db2.gz ATCSFOAOQBTEEO-UHFFFAOYSA-N 0 3 245.238 2.169 20 5 BEBDHN Cc1ccccc1[C@@H](NCC[N+](=O)[O-])C1CC1 ZINC001354486115 983312590 /nfs/dbraw/zinc/31/25/90/983312590.db2.gz VXWFMFJJIJVDDM-ZDUSSCGKSA-N 0 3 234.299 2.312 20 5 BEBDHN C[C@H](NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000020083132 398304059 /nfs/dbraw/zinc/30/40/59/398304059.db2.gz QEPKZXAERBXQOO-QMMMGPOBSA-N 0 3 206.245 2.408 20 5 BEBDHN COC[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087682 398304590 /nfs/dbraw/zinc/30/45/90/398304590.db2.gz CBZBNTCDUNHVCM-NXEZZACHSA-N 0 3 238.287 2.280 20 5 BEBDHN CC[C@H](O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163922263 398327059 /nfs/dbraw/zinc/32/70/59/398327059.db2.gz NQLKSZNGIZUAAF-CABZTGNLSA-N 0 3 238.287 2.016 20 5 BEBDHN O=[N+]([O-])c1cccc(CNCC2=CCCOC2)c1 ZINC000269263637 537892278 /nfs/dbraw/zinc/89/22/78/537892278.db2.gz CRGCXVLVXCQCOU-UHFFFAOYSA-N 0 3 248.282 2.031 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(N2CCCN(C)CC2)c1 ZINC000088698473 345543231 /nfs/dbraw/zinc/54/32/31/345543231.db2.gz WSLJXDZGTRBNLC-UHFFFAOYSA-N 0 3 249.314 2.045 20 5 BEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000594984099 348164710 /nfs/dbraw/zinc/16/47/10/348164710.db2.gz FVMHLPVWTZLHNO-CLLJXQQHSA-N 0 3 232.283 2.483 20 5 BEBDHN C[C@@H]1[C@H](Nc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343454558 350970286 /nfs/dbraw/zinc/97/02/86/350970286.db2.gz IOIIAXKYKKVRJN-GHMZBOCLSA-N 0 3 249.314 2.489 20 5 BEBDHN C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343569855 350976245 /nfs/dbraw/zinc/97/62/45/350976245.db2.gz YTPRUKHHKREOLF-GXFFZTMASA-N 0 3 249.314 2.489 20 5 BEBDHN CC1(C)C[C@H]1NCc1ccc([N+](=O)[O-])cc1 ZINC000044371142 188123401 /nfs/dbraw/zinc/12/34/01/188123401.db2.gz LYBZLYXRYZZJPT-LLVKDONJSA-N 0 3 220.272 2.483 20 5 BEBDHN CCOc1ccc([N+](=O)[O-])cc1CNC(C)C ZINC000035414755 357230843 /nfs/dbraw/zinc/23/08/43/357230843.db2.gz WJRASYQJKYTCKA-UHFFFAOYSA-N 0 3 238.287 2.492 20 5 BEBDHN COC[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC000035648656 358015782 /nfs/dbraw/zinc/01/57/82/358015782.db2.gz AZBQHYJGZAFYEJ-VIFPVBQESA-N 0 3 238.287 2.028 20 5 BEBDHN C[C@@H](N[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000131202883 363950177 /nfs/dbraw/zinc/95/01/77/363950177.db2.gz VMEFVUIKAUQXFK-KOLCDFICSA-N 0 3 236.271 2.034 20 5 BEBDHN CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000116073385 369019126 /nfs/dbraw/zinc/01/91/26/369019126.db2.gz KHJBPXHXSDVQNW-UHFFFAOYSA-N 0 3 249.314 2.125 20 5 BEBDHN O=[N+]([O-])c1ccc(CCN2CC(C3CC3)C2)cc1 ZINC000602677008 371830911 /nfs/dbraw/zinc/83/09/11/371830911.db2.gz PNVZULQNVZSWIN-UHFFFAOYSA-N 0 3 246.310 2.479 20 5 BEBDHN C[C@H](N[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112759308 383948313 /nfs/dbraw/zinc/94/83/13/383948313.db2.gz ZXXKVXIRBLJJBL-ONGXEEELSA-N 0 3 236.271 2.034 20 5 BEBDHN C[C@@H](N[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112759309 383949583 /nfs/dbraw/zinc/94/95/83/383949583.db2.gz ZXXKVXIRBLJJBL-KOLCDFICSA-N 0 3 236.271 2.034 20 5 BEBDHN C[C@@H](N[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112759306 383949619 /nfs/dbraw/zinc/94/96/19/383949619.db2.gz ZXXKVXIRBLJJBL-MWLCHTKSSA-N 0 3 236.271 2.034 20 5 BEBDHN C[C@H](CSc1ccc([N+](=O)[O-])cn1)N(C)C ZINC000358783970 384341550 /nfs/dbraw/zinc/34/15/50/384341550.db2.gz IBEHIXFLEUOUPE-MRVPVSSYSA-N 0 3 241.316 2.032 20 5 BEBDHN C[C@H](CCO)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122897059 384519772 /nfs/dbraw/zinc/51/97/72/384519772.db2.gz PZFJXPYCVXTCSQ-NXEZZACHSA-N 0 3 238.287 2.016 20 5 BEBDHN CO[C@@H](C)CCNCc1ccccc1[N+](=O)[O-] ZINC000263769551 385137102 /nfs/dbraw/zinc/13/71/02/385137102.db2.gz CMEQDVIIYLFABK-JTQLQIEISA-N 0 3 238.287 2.109 20 5 BEBDHN CS[C@@H](C)CNCc1csc([N+](=O)[O-])c1 ZINC000128149410 385262845 /nfs/dbraw/zinc/26/28/45/385262845.db2.gz WNYYQNSZQOJANB-ZETCQYMHSA-N 0 3 246.357 2.497 20 5 BEBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000397927352 385723940 /nfs/dbraw/zinc/72/39/40/385723940.db2.gz KOQSJEWPYKGGNO-UHFFFAOYSA-N 0 3 235.287 2.101 20 5 BEBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@@H]2C(F)F)cc1 ZINC000342213438 385874639 /nfs/dbraw/zinc/87/46/39/385874639.db2.gz NZYQVMTYISWJHO-UWVGGRQHSA-N 0 3 242.225 2.338 20 5 BEBDHN C[C@H](NCCCCO)c1ccccc1[N+](=O)[O-] ZINC000235514238 386172289 /nfs/dbraw/zinc/17/22/89/386172289.db2.gz RIPIKTSVPMWNQT-JTQLQIEISA-N 0 3 238.287 2.018 20 5 BEBDHN C[C@@H](O)CCN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000085980776 386695486 /nfs/dbraw/zinc/69/54/86/386695486.db2.gz GFADSHQUCMRXDU-ZJUUUORDSA-N 0 3 238.287 2.016 20 5 BEBDHN CO[C@H](C)[C@@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000130038542 387436109 /nfs/dbraw/zinc/43/61/09/387436109.db2.gz XQYBSTIZULXJAM-NXEZZACHSA-N 0 3 238.287 2.108 20 5 BEBDHN O=[N+]([O-])c1ccc(CNCCCF)cc1 ZINC000088024563 387517568 /nfs/dbraw/zinc/51/75/68/387517568.db2.gz FQKVCLRRRYUCRS-UHFFFAOYSA-N 0 3 212.224 2.044 20 5 BEBDHN COC[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176859 388191285 /nfs/dbraw/zinc/19/12/85/388191285.db2.gz LAZOFZYEWGCSSJ-NXEZZACHSA-N 0 3 238.287 2.280 20 5 BEBDHN CN1CC=C(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271823156 388407008 /nfs/dbraw/zinc/40/70/08/388407008.db2.gz NLQQYAVTCUDLQP-UHFFFAOYSA-N 0 3 247.298 2.269 20 5 BEBDHN C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000348314972 388435591 /nfs/dbraw/zinc/43/55/91/388435591.db2.gz BNZJVLFTQMACJT-UTLUCORTSA-N 0 3 238.287 2.015 20 5 BEBDHN CC[C@@H](C)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332726033 388799509 /nfs/dbraw/zinc/79/95/09/388799509.db2.gz UCPWHRIRGBRGOG-SNVBAGLBSA-N 0 3 249.314 2.394 20 5 BEBDHN C[C@@H](CCc1ccccc1[N+](=O)[O-])NCCF ZINC000281019333 388789619 /nfs/dbraw/zinc/78/96/19/388789619.db2.gz MDSFLSBCWWLKQV-JTQLQIEISA-N 0 3 240.278 2.475 20 5 BEBDHN CN(c1ccccc1[N+](=O)[O-])[C@@H]1CCCN(C)C1 ZINC000265996800 135146752 /nfs/dbraw/zinc/14/67/52/135146752.db2.gz JVMVZGWILYSMRL-LLVKDONJSA-N 0 3 249.314 2.125 20 5 BEBDHN CC[C@@H](COC)NCc1cccc([N+](=O)[O-])c1 ZINC000079713490 135355728 /nfs/dbraw/zinc/35/57/28/135355728.db2.gz PTCHBGPXMNRING-NSHDSACASA-N 0 3 238.287 2.109 20 5 BEBDHN CC(C)OCCNCc1ccc([N+](=O)[O-])cc1 ZINC000049259452 167242073 /nfs/dbraw/zinc/24/20/73/167242073.db2.gz LHNBCMPVOPTSFF-UHFFFAOYSA-N 0 3 238.287 2.109 20 5 BEBDHN CC[C@H](C)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000337324259 171319810 /nfs/dbraw/zinc/31/98/10/171319810.db2.gz UFGFPUSSIGGEEV-VIFPVBQESA-N 0 3 235.287 2.146 20 5 BEBDHN CN1CCC[C@@H]1CNc1ccccc1[N+](=O)[O-] ZINC000221258888 173033421 /nfs/dbraw/zinc/03/34/21/173033421.db2.gz BEGNYVDNJLIDOJ-SNVBAGLBSA-N 0 3 235.287 2.101 20 5 BEBDHN COCCCCNCc1ccccc1[N+](=O)[O-] ZINC000044656436 174200475 /nfs/dbraw/zinc/20/04/75/174200475.db2.gz QMCRVOGXBIEBHA-UHFFFAOYSA-N 0 3 238.287 2.111 20 5 BEBDHN COC[C@H](C)CNCc1csc([N+](=O)[O-])c1 ZINC000045657971 174533249 /nfs/dbraw/zinc/53/32/49/174533249.db2.gz BWBXMTGZVQLEFT-MRVPVSSYSA-N 0 3 244.316 2.028 20 5 BEBDHN C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000299643833 176176256 /nfs/dbraw/zinc/17/62/56/176176256.db2.gz NJFDFCXWRSHFIL-SNVBAGLBSA-N 0 3 220.272 2.437 20 5 BEBDHN CC(COC(=O)[C@@H](C)c1cccs1)[N+](=O)[O-] ZINC000813109815 582586524 /nfs/dbraw/zinc/58/65/24/582586524.db2.gz PLYMDYBNUJELLK-YUMQZZPRSA-N 0 3 243.284 2.060 20 5 BEBDHN CC(COC(=O)[C@@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813111036 582587833 /nfs/dbraw/zinc/58/78/33/582587833.db2.gz ATWOASMYDCPDAZ-OPRDCNLKSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)[C@H](C)C1CCCC1)[N+](=O)[O-] ZINC000813112467 582589347 /nfs/dbraw/zinc/58/93/47/582589347.db2.gz QHEBXTBRYYHPRW-RKDXNWHRSA-N 0 3 229.276 2.021 20 5 BEBDHN CC[C@@H]1CCC[C@]1(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000893048767 583037623 /nfs/dbraw/zinc/03/76/23/583037623.db2.gz YCVGJCXONVMFCD-UMNHJUIQSA-N 0 3 243.303 2.411 20 5 BEBDHN O=[N+]([O-])c1ccc(-c2cc(CNC3CC3)on2)o1 ZINC000901398975 584439030 /nfs/dbraw/zinc/43/90/30/584439030.db2.gz PRSOFEQMWQUZFY-UHFFFAOYSA-N 0 3 249.226 2.095 20 5 BEBDHN O=[N+]([O-])c1ccc(CCN2CC[C@H]3C[C@H]32)cc1 ZINC000761100157 585409128 /nfs/dbraw/zinc/40/91/28/585409128.db2.gz WMMSDVHEEXJMKP-WCQYABFASA-N 0 3 232.283 2.232 20 5 BEBDHN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)CN1C ZINC000774536836 585661079 /nfs/dbraw/zinc/66/10/79/585661079.db2.gz MWYQZOTVDSARTG-QWRGUYRKSA-N 0 3 249.314 2.124 20 5 BEBDHN O=[N+]([O-])CCN1CCC2(CCCCC2)CC1 ZINC000791052102 585972836 /nfs/dbraw/zinc/97/28/36/585972836.db2.gz KZIFKOZJPOIIHP-UHFFFAOYSA-N 0 3 226.320 2.309 20 5 BEBDHN Cc1ccccc1[C@@H]1C[C@H](C)N(CC[N+](=O)[O-])C1 ZINC000791054153 585973435 /nfs/dbraw/zinc/97/34/35/585973435.db2.gz XZPMCYOGZQNPIN-QWHCGFSZSA-N 0 3 248.326 2.450 20 5 BEBDHN CC[C@@H](C)CCC(=O)OCC(C)[N+](=O)[O-] ZINC000813102050 586591849 /nfs/dbraw/zinc/59/18/49/586591849.db2.gz AHKIVBTVXQIIHQ-BDAKNGLRSA-N 0 3 217.265 2.021 20 5 BEBDHN Cc1ccc(C(=O)OCC(C)[N+](=O)[O-])c(C)c1 ZINC000813102822 586591919 /nfs/dbraw/zinc/59/19/19/586591919.db2.gz VYFOUAOLBNJWQJ-SNVBAGLBSA-N 0 3 237.255 2.125 20 5 BEBDHN CCC(CC)[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813102618 586592073 /nfs/dbraw/zinc/59/20/73/586592073.db2.gz TVWBEMGCTRMGRD-IUCAKERBSA-N 0 3 231.292 2.267 20 5 BEBDHN CCCC[C@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813105088 586592534 /nfs/dbraw/zinc/59/25/34/586592534.db2.gz JNTYPZWUCGODCR-UWVGGRQHSA-N 0 3 231.292 2.411 20 5 BEBDHN CC(COC(=O)[C@@H](C)CC1CCCC1)[N+](=O)[O-] ZINC000813107695 586592626 /nfs/dbraw/zinc/59/26/26/586592626.db2.gz ULSIZBNEBOMKOZ-UWVGGRQHSA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)/C=C\C1CCCCC1)[N+](=O)[O-] ZINC000813107911 586592890 /nfs/dbraw/zinc/59/28/90/586592890.db2.gz YVBFYXMJMHSOCH-GQYWMQPJSA-N 0 3 241.287 2.331 20 5 BEBDHN CC(C)CC(C)(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813109961 586593293 /nfs/dbraw/zinc/59/32/93/586593293.db2.gz QPOGHPDZNGZURJ-SECBINFHSA-N 0 3 231.292 2.267 20 5 BEBDHN Cc1cc(C(=O)OCC(C)[N+](=O)[O-])c(C)s1 ZINC000813113317 586593860 /nfs/dbraw/zinc/59/38/60/586593860.db2.gz PPZIVHWRAUINCF-LURJTMIESA-N 0 3 243.284 2.187 20 5 BEBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813112739 586594087 /nfs/dbraw/zinc/59/40/87/586594087.db2.gz KGQQQVISPOITBL-HIJJYWJESA-N 0 3 249.266 2.298 20 5 BEBDHN Cc1cccc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813115189 586594299 /nfs/dbraw/zinc/59/42/99/586594299.db2.gz MJZWTCBBXKCSGC-SECBINFHSA-N 0 3 237.255 2.125 20 5 BEBDHN CC(COC(=O)c1ccc(Cl)s1)[N+](=O)[O-] ZINC000813114995 586594370 /nfs/dbraw/zinc/59/43/70/586594370.db2.gz IQDNEZCVAFRQFC-YFKPBYRVSA-N 0 3 249.675 2.224 20 5 BEBDHN CC(COC(=O)[C@@H]1CC2CCC1CC2)[N+](=O)[O-] ZINC000816090877 586707526 /nfs/dbraw/zinc/70/75/26/586707526.db2.gz BBGIVHFCHGNODZ-IDWGSYCQSA-N 0 3 241.287 2.021 20 5 BEBDHN CC(COC(=O)C(C)(C)C(C)(C)C)[N+](=O)[O-] ZINC000816091473 586707574 /nfs/dbraw/zinc/70/75/74/586707574.db2.gz YLTBHLWLWUZAOI-MRVPVSSYSA-N 0 3 231.292 2.267 20 5 BEBDHN CC(COC(=O)[C@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000821167846 587099860 /nfs/dbraw/zinc/09/98/60/587099860.db2.gz YZQVPEODVCCSQK-UTLUCORTSA-N 0 3 229.276 2.021 20 5 BEBDHN CC1=CC[C@](C)(C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000851036567 588585434 /nfs/dbraw/zinc/58/54/34/588585434.db2.gz KLGUPGAWLRVFRC-PWSUYJOCSA-N 0 3 241.287 2.331 20 5 BEBDHN O=[N+]([O-])c1ccccc1CN1CC[C@@H](CF)C1 ZINC000880288709 590984794 /nfs/dbraw/zinc/98/47/94/590984794.db2.gz DRLLRTZTMRGFEU-JTQLQIEISA-N 0 3 238.262 2.386 20 5 BEBDHN C[C@@H]1[C@@H](C)[C@H](C)CN1Cc1cccnc1[N+](=O)[O-] ZINC000886249099 592185457 /nfs/dbraw/zinc/18/54/57/592185457.db2.gz CPNULRMKQKUDFC-OUAUKWLOSA-N 0 3 249.314 2.466 20 5 BEBDHN CC(C)[C@@H](NCC[N+](=O)[O-])c1ccccc1 ZINC000309393892 632023478 /nfs/dbraw/zinc/02/34/78/632023478.db2.gz UYRXWVFVGQHANN-GFCCVEGCSA-N 0 3 222.288 2.250 20 5 BEBDHN C[C@H]1CCc2ccccc2[C@H]1NCC[N+](=O)[O-] ZINC000905190508 637672228 /nfs/dbraw/zinc/67/22/28/637672228.db2.gz KZYAKRKHDZECCI-GWCFXTLKSA-N 0 3 234.299 2.176 20 5 BEBDHN C[C@@H]1C[C@H](c2ccccc2)N(CC[N+](=O)[O-])C1 ZINC000930473734 639770110 /nfs/dbraw/zinc/77/01/10/639770110.db2.gz BJEPBBBEDNCFJF-DGCLKSJQSA-N 0 3 234.299 2.346 20 5 BEBDHN C[C@H]1C[C@@H](c2ccccc2)N(CC[N+](=O)[O-])C1 ZINC000930473733 639770919 /nfs/dbraw/zinc/77/09/19/639770919.db2.gz BJEPBBBEDNCFJF-AAEUAGOBSA-N 0 3 234.299 2.346 20 5 BEBDHN CC(COC(=O)c1cccc(C2CC2)c1)[N+](=O)[O-] ZINC000847714464 645433414 /nfs/dbraw/zinc/43/34/14/645433414.db2.gz VCCLWBWSZCKELY-SECBINFHSA-N 0 3 249.266 2.386 20 5 BEBDHN C[C@@H]1CCN(CC[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000929260203 646043220 /nfs/dbraw/zinc/04/32/20/646043220.db2.gz VIZKDHIOWGMACQ-UTUOFQBUSA-N 0 3 226.320 2.164 20 5 BEBDHN CCC[C@@]1(C)CCCN(CC[N+](=O)[O-])C1 ZINC000929757890 646288864 /nfs/dbraw/zinc/28/88/64/646288864.db2.gz BSSYWQQAMCLFRE-NSHDSACASA-N 0 3 214.309 2.165 20 5 BEBDHN C[C@H]1CN(CC[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000929713908 646267635 /nfs/dbraw/zinc/26/76/35/646267635.db2.gz HXOJKVHHRHUMLZ-JSGCOSHPSA-N 0 3 248.326 2.389 20 5 BEBDHN CCC[C@]1(C)CCCN(CC[N+](=O)[O-])C1 ZINC000929757889 646289080 /nfs/dbraw/zinc/28/90/80/646289080.db2.gz BSSYWQQAMCLFRE-LLVKDONJSA-N 0 3 214.309 2.165 20 5 BEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2C=CCC2)c1 ZINC000700543673 711996836 /nfs/dbraw/zinc/99/68/36/711996836.db2.gz NSIYIADYPOUBHQ-LLVKDONJSA-N 0 3 218.256 2.403 20 5 BEBDHN C[C@H]1[C@@H](Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000719578063 712811901 /nfs/dbraw/zinc/81/19/01/712811901.db2.gz MHPBAROIEDIXPB-UWVGGRQHSA-N 0 3 235.287 2.099 20 5 BEBDHN Cc1cccc(-n2ccc([C@@H](C)N)n2)c1[N+](=O)[O-] ZINC001169231954 969507036 /nfs/dbraw/zinc/50/70/36/969507036.db2.gz XCIQZGYXQMLULT-SECBINFHSA-N 0 3 246.270 2.109 20 5 BEBDHN C[C@@H](O)[C@H](C)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001329649244 970361070 /nfs/dbraw/zinc/36/10/70/970361070.db2.gz ZNXMGBIGQXQKRX-IVZWLZJFSA-N 0 3 238.287 2.015 20 5 BEBDHN CN1CCC[C@H](Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763384 975064372 /nfs/dbraw/zinc/06/43/72/975064372.db2.gz RIHRNFAYGSOXNU-LBPRGKRZSA-N 0 3 236.271 2.068 20 5 BEBDHN Cn1ccnc1Nc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175899907 977813063 /nfs/dbraw/zinc/81/30/63/977813063.db2.gz CTFWIAVVOBYZHA-SOFGYWHQSA-N 0 3 244.254 2.411 20 5 BEBDHN CC(C)C1(C)CCN(CC[N+](=O)[O-])CC1 ZINC001354641960 983339682 /nfs/dbraw/zinc/33/96/82/983339682.db2.gz XQXXTGFUHRUHHS-UHFFFAOYSA-N 0 3 214.309 2.021 20 5 BEBDHN Cc1cnccc1Nc1cc([N+](=O)[O-])cnc1C ZINC001248745018 989140121 /nfs/dbraw/zinc/14/01/21/989140121.db2.gz BPTLKBFLMWXYOA-UHFFFAOYSA-N 0 3 244.254 2.167 20 5 BEBDHN CN1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000037247444 361776676 /nfs/dbraw/zinc/77/66/76/361776676.db2.gz VXWAJVOIZILTEG-UHFFFAOYSA-N 0 3 235.287 2.101 20 5 BEBDHN Cc1cc([N+](=O)[O-])ccc1NC1CCN(C)CC1 ZINC000037267614 178272216 /nfs/dbraw/zinc/27/22/16/178272216.db2.gz WLYZYGYEOLCAIZ-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN CC[C@@H](CO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020196122 398315985 /nfs/dbraw/zinc/31/59/85/398315985.db2.gz VQNBKJNGZYFVNN-ONGXEEELSA-N 0 3 238.287 2.016 20 5 BEBDHN O=[N+]([O-])c1ccc(CNC2CCC2)cc1 ZINC000044481718 344541823 /nfs/dbraw/zinc/54/18/23/344541823.db2.gz WFKMWRKLBUGRJR-UHFFFAOYSA-N 0 3 206.245 2.237 20 5 BEBDHN Cc1ccc(N2CCCN(C)CC2)c([N+](=O)[O-])c1 ZINC000080531116 345281754 /nfs/dbraw/zinc/28/17/54/345281754.db2.gz PYLFNVNZIQWYEI-UHFFFAOYSA-N 0 3 249.314 2.045 20 5 BEBDHN CN(C)C1(CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000591370624 347654630 /nfs/dbraw/zinc/65/46/30/347654630.db2.gz MBVDBVPZIJAYQQ-UHFFFAOYSA-N 0 3 241.316 2.162 20 5 BEBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595810021 348350072 /nfs/dbraw/zinc/35/00/72/348350072.db2.gz VRVYGQNRICPYIY-VXGBXAGGSA-N 0 3 232.283 2.437 20 5 BEBDHN C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2)CCCN1C ZINC000343569854 350976742 /nfs/dbraw/zinc/97/67/42/350976742.db2.gz YTPRUKHHKREOLF-GWCFXTLKSA-N 0 3 249.314 2.489 20 5 BEBDHN CCN1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000035014088 351380771 /nfs/dbraw/zinc/38/07/71/351380771.db2.gz HZXYHVFHLHLUCJ-UHFFFAOYSA-N 0 3 249.314 2.491 20 5 BEBDHN Cc1c(CN2CCCC2)cccc1[N+](=O)[O-] ZINC000051125774 357956918 /nfs/dbraw/zinc/95/69/18/357956918.db2.gz BURXKDOXGDUTPH-UHFFFAOYSA-N 0 3 220.272 2.499 20 5 BEBDHN C[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000090795061 360089043 /nfs/dbraw/zinc/08/90/43/360089043.db2.gz GWHFYDWMNAZFDJ-QWRGUYRKSA-N 0 3 249.314 2.489 20 5 BEBDHN CC(C)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000061019415 368557726 /nfs/dbraw/zinc/55/77/26/368557726.db2.gz VAIWGCGDRWUNBI-UHFFFAOYSA-N 0 3 249.314 2.125 20 5 BEBDHN C[C@H](CN(C)CC[N+](=O)[O-])C1CCCCC1 ZINC001644109505 1172526373 /nfs/dbraw/zinc/52/63/73/1172526373.db2.gz RJESSJLPYQERHN-LLVKDONJSA-N 0 3 228.336 2.411 20 5 BEBDHN C[C@H](F)CCNCc1csc([N+](=O)[O-])c1 ZINC000339496273 383992271 /nfs/dbraw/zinc/99/22/71/383992271.db2.gz QNDCUZAXDKVQPM-ZETCQYMHSA-N 0 3 232.280 2.494 20 5 BEBDHN C[C@H](N[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000112759304 383948181 /nfs/dbraw/zinc/94/81/81/383948181.db2.gz ZXXKVXIRBLJJBL-GXSJLCMTSA-N 0 3 236.271 2.034 20 5 BEBDHN O=[N+]([O-])c1cccc(CN[C@@H]2C[C@H]2C(F)F)c1 ZINC000342245831 385876282 /nfs/dbraw/zinc/87/62/82/385876282.db2.gz ZJIFQWSHISICOB-NXEZZACHSA-N 0 3 242.225 2.338 20 5 BEBDHN C[C@H](NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000035136405 386426176 /nfs/dbraw/zinc/42/61/76/386426176.db2.gz XFBPXVYMOKPJEB-VIFPVBQESA-N 0 3 220.272 2.483 20 5 BEBDHN C[C@H](O)[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000348314969 388435429 /nfs/dbraw/zinc/43/54/29/388435429.db2.gz BNZJVLFTQMACJT-GUBZILKMSA-N 0 3 238.287 2.015 20 5 BEBDHN C[C@H](CCO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122896727 388582036 /nfs/dbraw/zinc/58/20/36/388582036.db2.gz PZFJXPYCVXTCSQ-ZJUUUORDSA-N 0 3 238.287 2.016 20 5 BEBDHN CN(CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000065533919 388677378 /nfs/dbraw/zinc/67/73/78/388677378.db2.gz IXKRMXRWGRLSPP-UHFFFAOYSA-N 0 3 236.271 2.068 20 5 BEBDHN CC(C)CCN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332700519 388796646 /nfs/dbraw/zinc/79/66/46/388796646.db2.gz VHPNDVLSLOFXPV-UHFFFAOYSA-N 0 3 249.314 2.394 20 5 BEBDHN O=[N+]([O-])c1ccc(CNCC2=CCCOC2)cc1 ZINC000126618388 388831307 /nfs/dbraw/zinc/83/13/07/388831307.db2.gz YYUWKPJKJMNODF-UHFFFAOYSA-N 0 3 248.282 2.031 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)NC[C@@H]2C)c1 ZINC000094663370 132238955 /nfs/dbraw/zinc/23/89/55/132238955.db2.gz NUQQWHFRSANZIK-MNOVXSKESA-N 0 3 249.314 2.090 20 5 BEBDHN CC(C)N(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000070944130 409903820 /nfs/dbraw/zinc/90/38/20/409903820.db2.gz ZBNHDLWVSZNPMR-UHFFFAOYSA-N 0 3 208.261 2.435 20 5 BEBDHN CC(C)CNCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278613689 167009811 /nfs/dbraw/zinc/00/98/11/167009811.db2.gz GRUFBYFFPWTOTA-UHFFFAOYSA-N 0 3 248.286 2.217 20 5 BEBDHN CC[C@H](O)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124408835 171576732 /nfs/dbraw/zinc/57/67/32/171576732.db2.gz LITRYCCUMIVBSC-SKDRFNHKSA-N 0 3 238.287 2.016 20 5 BEBDHN CN1CCC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000044537700 173040662 /nfs/dbraw/zinc/04/06/62/173040662.db2.gz SDAHFXLWKQEYET-LLVKDONJSA-N 0 3 249.314 2.349 20 5 BEBDHN CN1CCC[C@H]1CNc1ccccc1[N+](=O)[O-] ZINC000221258951 173056614 /nfs/dbraw/zinc/05/66/14/173056614.db2.gz BEGNYVDNJLIDOJ-JTQLQIEISA-N 0 3 235.287 2.101 20 5 BEBDHN COc1ccc([N+](=O)[O-])cc1CNCC(C)C ZINC000036722094 175201117 /nfs/dbraw/zinc/20/11/17/175201117.db2.gz MFKBLYHNYGKKTR-UHFFFAOYSA-N 0 3 238.287 2.349 20 5 BEBDHN O=[N+]([O-])c1ccc(CN[C@H]2C=CCC2)cc1 ZINC000829346740 582856762 /nfs/dbraw/zinc/85/67/62/582856762.db2.gz CECYJOSPQZBWBI-NSHDSACASA-N 0 3 218.256 2.403 20 5 BEBDHN CCN1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000286315854 535748173 /nfs/dbraw/zinc/74/81/73/535748173.db2.gz KLZUZHFWJDWXBQ-NSHDSACASA-N 0 3 249.314 2.125 20 5 BEBDHN CC(COC(=O)C[C@@H]1CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813106244 582581578 /nfs/dbraw/zinc/58/15/78/582581578.db2.gz BFJDZXRXUGUSMG-OPRDCNLKSA-N 0 3 229.276 2.021 20 5 BEBDHN CCCC[C@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813111750 582588912 /nfs/dbraw/zinc/58/89/12/582588912.db2.gz WOPNYHWJSUCCQO-IUCAKERBSA-N 0 3 217.265 2.021 20 5 BEBDHN O=[N+]([O-])CCNCCc1ccc2ccccc2c1 ZINC000899869409 584244800 /nfs/dbraw/zinc/24/48/00/584244800.db2.gz FKUVJORGPMSDHM-UHFFFAOYSA-N 0 3 244.294 2.249 20 5 BEBDHN CC(C)CCCCC(=O)OCC(C)[N+](=O)[O-] ZINC000838964418 585082540 /nfs/dbraw/zinc/08/25/40/585082540.db2.gz JDVNFRYDCRXALY-JTQLQIEISA-N 0 3 231.292 2.411 20 5 BEBDHN CC(COC(=O)[C@@H](C)c1ccsc1)[N+](=O)[O-] ZINC000813102627 586592198 /nfs/dbraw/zinc/59/21/98/586592198.db2.gz UCCLKQHVZGFPFX-YUMQZZPRSA-N 0 3 243.284 2.060 20 5 BEBDHN CC(COC(=O)C1CCC(C)(C)CC1)[N+](=O)[O-] ZINC000813108065 586592820 /nfs/dbraw/zinc/59/28/20/586592820.db2.gz UUFYUAYPPRNRNU-SECBINFHSA-N 0 3 243.303 2.411 20 5 BEBDHN CCC[C@](C)(CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813107133 586592994 /nfs/dbraw/zinc/59/29/94/586592994.db2.gz KEKAWHLYNBQWMJ-KOLCDFICSA-N 0 3 231.292 2.411 20 5 BEBDHN CCc1ccsc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813109526 586593009 /nfs/dbraw/zinc/59/30/09/586593009.db2.gz KSRGTWBBEQEOER-SSDOTTSWSA-N 0 3 243.284 2.133 20 5 BEBDHN CCc1ccccc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110490 586593575 /nfs/dbraw/zinc/59/35/75/586593575.db2.gz BRZGTABKDDIYMQ-VIFPVBQESA-N 0 3 237.255 2.071 20 5 BEBDHN CC(COC(=O)[C@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813111034 586593637 /nfs/dbraw/zinc/59/36/37/586593637.db2.gz ATWOASMYDCPDAZ-BBBLOLIVSA-N 0 3 229.276 2.021 20 5 BEBDHN C/C(=C/C(=O)OCC(C)[N+](=O)[O-])c1ccccc1 ZINC000813112740 586593894 /nfs/dbraw/zinc/59/38/94/586593894.db2.gz KGQQQVISPOITBL-IEHMKBBKSA-N 0 3 249.266 2.298 20 5 BEBDHN CC(COC(=O)[C@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000821167841 587100117 /nfs/dbraw/zinc/10/01/17/587100117.db2.gz YZQVPEODVCCSQK-BBBLOLIVSA-N 0 3 229.276 2.021 20 5 BEBDHN CC[C@@H](CC(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000835453866 587802954 /nfs/dbraw/zinc/80/29/54/587802954.db2.gz HNOWCUKBRIEUOI-UWVGGRQHSA-N 0 3 231.292 2.267 20 5 BEBDHN CC(COC(=O)C(C)(C)C1CCC1)[N+](=O)[O-] ZINC000835456955 587803287 /nfs/dbraw/zinc/80/32/87/587803287.db2.gz VBXMLLFJQQVXSY-QMMMGPOBSA-N 0 3 229.276 2.021 20 5 BEBDHN CC1=C(C)C[C@@H](C(=O)OCC(C)[N+](=O)[O-])CC1 ZINC000842801973 588065040 /nfs/dbraw/zinc/06/50/40/588065040.db2.gz OEJFELQLGCEVLV-QWRGUYRKSA-N 0 3 241.287 2.331 20 5 BEBDHN CC(=O)O[C@@H](c1ccccc1F)C(C)[N+](=O)[O-] ZINC000845872514 588249476 /nfs/dbraw/zinc/24/94/76/588249476.db2.gz ISNNYTLHRUNGST-WRWORJQWSA-N 0 3 241.218 2.095 20 5 BEBDHN CC(COC(=O)[C@H]1CCCC2(CC2)C1)[N+](=O)[O-] ZINC000851036550 588585710 /nfs/dbraw/zinc/58/57/10/588585710.db2.gz KGFGTRFKAWODLD-ZJUUUORDSA-N 0 3 241.287 2.165 20 5 BEBDHN Cc1ccccc1[C@H]1C[C@H](NCC[N+](=O)[O-])C1 ZINC000905242984 637703006 /nfs/dbraw/zinc/70/30/06/637703006.db2.gz GZALFWYIEYTVDZ-HAQNSBGRSA-N 0 3 234.299 2.107 20 5 BEBDHN C[C@H]1CN(CC[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000929713907 646266298 /nfs/dbraw/zinc/26/62/98/646266298.db2.gz HXOJKVHHRHUMLZ-GXTWGEPZSA-N 0 3 248.326 2.389 20 5 BEBDHN C[C@@H]1CN(CC[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000929713910 646266749 /nfs/dbraw/zinc/26/67/49/646266749.db2.gz HXOJKVHHRHUMLZ-OCCSQVGLSA-N 0 3 248.326 2.389 20 5 BEBDHN C[C@H]1[C@@H](c2ccccc2)CCN1CC[N+](=O)[O-] ZINC000929811633 646332701 /nfs/dbraw/zinc/33/27/01/646332701.db2.gz BZCJMWFANPCFAN-AAEUAGOBSA-N 0 3 234.299 2.141 20 5 BEBDHN O=[N+]([O-])c1ncccc1CN1CCC2(CC2)CC1 ZINC000886091795 712394214 /nfs/dbraw/zinc/39/42/14/712394214.db2.gz HFIMKVGQGJTUJN-UHFFFAOYSA-N 0 3 247.298 2.366 20 5 BEBDHN CN(c1cc(N)ccn1)c1ccccc1[N+](=O)[O-] ZINC001206157848 968096990 /nfs/dbraw/zinc/09/69/90/968096990.db2.gz GEPPRSNTJHIUMI-UHFFFAOYSA-N 0 3 244.254 2.340 20 5 BEBDHN CC1(C)CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596074 969742862 /nfs/dbraw/zinc/74/28/62/969742862.db2.gz BPKJDCIUZXIKQJ-CYBMUJFWSA-N 0 3 246.310 2.404 20 5 BEBDHN CN1CCC(Oc2ccccc2[N+](=O)[O-])CC1 ZINC001227482681 975466304 /nfs/dbraw/zinc/46/63/04/975466304.db2.gz KSVLOPGKFZBKPV-UHFFFAOYSA-N 0 3 236.271 2.068 20 5 BEBDHN CCCN(CCc1cccs1)CC[N+](=O)[O-] ZINC001334075624 976281601 /nfs/dbraw/zinc/28/16/01/976281601.db2.gz GFMGUSYZYKQYCF-UHFFFAOYSA-N 0 3 242.344 2.279 20 5 BEBDHN CC(COC(=O)[C@H]1CCC=CCCC1)[N+](=O)[O-] ZINC001348532992 981384728 /nfs/dbraw/zinc/38/47/28/981384728.db2.gz HFQQCMLSNDAYJG-QWRGUYRKSA-N 0 3 241.287 2.331 20 5 BEBDHN CC(COC(=O)C12CCC(CC1)CC2)[N+](=O)[O-] ZINC001515229065 989003433 /nfs/dbraw/zinc/00/34/33/989003433.db2.gz GEVZBQYLCPWZEY-BMQDGWLCSA-N 0 3 241.287 2.165 20 5 BEBDHN Cc1ccc([C@H]2CCN(CC[N+](=O)[O-])C2)cc1 ZINC001119810167 989411770 /nfs/dbraw/zinc/41/17/70/989411770.db2.gz KJPJPGFFDRGXEV-ZDUSSCGKSA-N 0 3 234.299 2.061 20 5 BEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CN3CCC2CC3)cc1 ZINC000021507153 1170166472 /nfs/dbraw/zinc/16/64/72/1170166472.db2.gz KEKAKWCALVYDJJ-CYBMUJFWSA-N 0 3 247.298 2.101 20 5 BEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CCSC1 ZINC000050015512 398332281 /nfs/dbraw/zinc/33/22/81/398332281.db2.gz NJSQSAYKQVJSSA-SNVBAGLBSA-N 0 3 238.312 2.190 20 5 BEBDHN O=[N+]([O-])c1ccc(NCCN2CCCCC2)cc1 ZINC000049575289 343603371 /nfs/dbraw/zinc/60/33/71/343603371.db2.gz UJHNFVXZIMVTHN-UHFFFAOYSA-N 0 3 249.314 2.493 20 5 BEBDHN O=[N+]([O-])c1ccc(N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000044417208 345056249 /nfs/dbraw/zinc/05/62/49/345056249.db2.gz XJUODRYPTRWSCP-LLVKDONJSA-N 0 3 247.298 2.243 20 5 BEBDHN Cc1cccc(NCCN2CCCC2)c1[N+](=O)[O-] ZINC000218841771 179144900 /nfs/dbraw/zinc/14/49/00/179144900.db2.gz FQUSBPKLFBJVHU-UHFFFAOYSA-N 0 3 249.314 2.411 20 5 BEBDHN CCN1CCCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000264670372 347285109 /nfs/dbraw/zinc/28/51/09/347285109.db2.gz UDJJFXPFXDIIRK-UHFFFAOYSA-N 0 3 249.314 2.127 20 5 BEBDHN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC1 ZINC000595009673 348159236 /nfs/dbraw/zinc/15/92/36/348159236.db2.gz ZJWLACHDCACHJO-MRVPVSSYSA-N 0 3 236.271 2.416 20 5 BEBDHN Cc1cc(NC[C@H](C)N(C)C)c([N+](=O)[O-])s1 ZINC000596075259 348438766 /nfs/dbraw/zinc/43/87/66/348438766.db2.gz KLOGKUGUZYHABG-ZETCQYMHSA-N 0 3 243.332 2.327 20 5 BEBDHN C[C@H]1[C@@H](Nc2ccccc2[N+](=O)[O-])CCCN1C ZINC000343454563 350970915 /nfs/dbraw/zinc/97/09/15/350970915.db2.gz IOIIAXKYKKVRJN-QWRGUYRKSA-N 0 3 249.314 2.489 20 5 BEBDHN O=[N+]([O-])c1ccccc1CNCC1CC1 ZINC000020037511 358223116 /nfs/dbraw/zinc/22/31/16/358223116.db2.gz YZMULGOAZDPYJI-UHFFFAOYSA-N 0 3 206.245 2.094 20 5 BEBDHN C[C@@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])CCN1C ZINC000090795058 360089254 /nfs/dbraw/zinc/08/92/54/360089254.db2.gz GWHFYDWMNAZFDJ-GHMZBOCLSA-N 0 3 249.314 2.489 20 5 BEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2CCSC2)cc1 ZINC000037668265 364461414 /nfs/dbraw/zinc/46/14/14/364461414.db2.gz KHICAKIMOFQTMI-SNVBAGLBSA-N 0 3 238.312 2.190 20 5 BEBDHN COCC[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000050015650 383889436 /nfs/dbraw/zinc/88/94/36/383889436.db2.gz FSPJNXPNZSZPAY-JTQLQIEISA-N 0 3 238.287 2.109 20 5 BEBDHN CS[C@H](C)CNCc1cccc([N+](=O)[O-])c1 ZINC000128006316 384081903 /nfs/dbraw/zinc/08/19/03/384081903.db2.gz WYBXSJREBNWEPN-SECBINFHSA-N 0 3 240.328 2.436 20 5 BEBDHN C[C@H](CCO)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000098005652 384455906 /nfs/dbraw/zinc/45/59/06/384455906.db2.gz MZPQHGRQDJKGOM-ZJUUUORDSA-N 0 3 238.287 2.016 20 5 BEBDHN CC[C@@H](COC)NCc1ccccc1[N+](=O)[O-] ZINC000079713394 384511818 /nfs/dbraw/zinc/51/18/18/384511818.db2.gz BXJCCDSXDHQOAR-NSHDSACASA-N 0 3 238.287 2.109 20 5 BEBDHN C[C@@H]1C[C@@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000052272241 385715294 /nfs/dbraw/zinc/71/52/94/385715294.db2.gz XTHBXAHCYVEIQS-KCJUWKMLSA-N 0 3 206.245 2.093 20 5 BEBDHN Cc1cc([N+](=O)[O-])ccc1CNc1nccn1C ZINC000414305602 386473324 /nfs/dbraw/zinc/47/33/24/386473324.db2.gz QCLWMZNDIGTSGI-UHFFFAOYSA-N 0 3 246.270 2.249 20 5 BEBDHN C[C@@H](NCC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000085983477 386695411 /nfs/dbraw/zinc/69/54/11/386695411.db2.gz PVCVJONDNOHIJM-VHSXEESVSA-N 0 3 238.287 2.016 20 5 BEBDHN CN(C)C[C@@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000268107586 386853171 /nfs/dbraw/zinc/85/31/71/386853171.db2.gz DJCOMFGGPORUMN-NSHDSACASA-N 0 3 249.314 2.125 20 5 BEBDHN CO[C@H](C)[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000163248319 388373711 /nfs/dbraw/zinc/37/37/11/388373711.db2.gz MBBFYFZPWXSQOM-VHSXEESVSA-N 0 3 238.287 2.108 20 5 BEBDHN CN1CC=C(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000271864596 388409760 /nfs/dbraw/zinc/40/97/60/388409760.db2.gz QTZCPXUCRCWAPR-UHFFFAOYSA-N 0 3 247.298 2.269 20 5 BEBDHN C[C@@H](CCO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000122896495 388581799 /nfs/dbraw/zinc/58/17/99/388581799.db2.gz PZFJXPYCVXTCSQ-UWVGGRQHSA-N 0 3 238.287 2.016 20 5 BEBDHN C[C@H](CF)N[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329510 388748186 /nfs/dbraw/zinc/74/81/86/388748186.db2.gz IHJLONUJOXFSPP-NXEZZACHSA-N 0 3 240.278 2.473 20 5 BEBDHN COc1ccc(CN[C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424185146 388694599 /nfs/dbraw/zinc/69/45/99/388694599.db2.gz OJEAAQOFRCBIDS-GFCCVEGCSA-N 0 3 248.282 2.246 20 5 BEBDHN C[C@@H](NCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000193276850 388842165 /nfs/dbraw/zinc/84/21/65/388842165.db2.gz OWFIASHOLMXJOZ-SNVBAGLBSA-N 0 3 238.287 2.018 20 5 BEBDHN C[C@@H](NCCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000193281556 388843072 /nfs/dbraw/zinc/84/30/72/388843072.db2.gz KILZKEZQABAKEC-SNVBAGLBSA-N 0 3 238.287 2.018 20 5 BEBDHN Cc1cccc(N2CCNC(C)(C)C2)c1[N+](=O)[O-] ZINC000235927186 132428000 /nfs/dbraw/zinc/42/80/00/132428000.db2.gz KKSHZLXYEKNFES-UHFFFAOYSA-N 0 3 249.314 2.091 20 5 BEBDHN O=[N+]([O-])c1cnc2c(c1)CN(CCC1CC1)CC2 ZINC000347785321 136009857 /nfs/dbraw/zinc/00/98/57/136009857.db2.gz CLVAAGOWWWMGBS-UHFFFAOYSA-N 0 3 247.298 2.148 20 5 BEBDHN C[C@@H]1C[C@@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000136402922 397734731 /nfs/dbraw/zinc/73/47/31/397734731.db2.gz AUQIAOGYJKKUBM-MWLCHTKSSA-N 0 3 220.272 2.340 20 5 BEBDHN CC[C@H](CO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020196127 171453999 /nfs/dbraw/zinc/45/39/99/171453999.db2.gz VQNBKJNGZYFVNN-MWLCHTKSSA-N 0 3 238.287 2.016 20 5 BEBDHN COc1ccc(CNC(C)C)cc1[N+](=O)[O-] ZINC000021518875 175105597 /nfs/dbraw/zinc/10/55/97/175105597.db2.gz GXSRNRYCWDQEMY-UHFFFAOYSA-N 0 3 224.260 2.101 20 5 BEBDHN C[C@H]1CC[C@H]1NCc1ccccc1[N+](=O)[O-] ZINC000309331557 177207634 /nfs/dbraw/zinc/20/76/34/177207634.db2.gz SLYMTFVZDCWPEP-GXSJLCMTSA-N 0 3 220.272 2.483 20 5 BEBDHN Cc1cc(NCC2(N(C)C)CC2)ccc1[N+](=O)[O-] ZINC000397987106 262941785 /nfs/dbraw/zinc/94/17/85/262941785.db2.gz VFJMFLAUAONYLO-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN CO[C@H](C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182428312 518118167 /nfs/dbraw/zinc/11/81/67/518118167.db2.gz BNCARZSGVCFWNJ-ZJUUUORDSA-N 0 3 238.287 2.280 20 5 BEBDHN C/C(=C\C(=O)OCC(C)[N+](=O)[O-])C(C)(C)C ZINC000813104584 582580667 /nfs/dbraw/zinc/58/06/67/582580667.db2.gz PBCBGCAVKBSQDS-BNICOGTQSA-N 0 3 229.276 2.187 20 5 BEBDHN C/C(=C\C(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813104619 582580774 /nfs/dbraw/zinc/58/07/74/582580774.db2.gz FKPYAWCOOQZOSF-ORZBULNSSA-N 0 3 229.276 2.187 20 5 BEBDHN CCCCS[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106238 582581542 /nfs/dbraw/zinc/58/15/42/582581542.db2.gz BEYPOTIPZOGRID-IUCAKERBSA-N 0 3 249.332 2.117 20 5 BEBDHN CC(C)c1occc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107108 582581612 /nfs/dbraw/zinc/58/16/12/582581612.db2.gz JUNPGEQOOCGWOM-QMMMGPOBSA-N 0 3 241.243 2.225 20 5 BEBDHN CC(C)c1occc1C(=O)OCC(C)[N+](=O)[O-] ZINC000813107107 582581697 /nfs/dbraw/zinc/58/16/97/582581697.db2.gz JUNPGEQOOCGWOM-MRVPVSSYSA-N 0 3 241.243 2.225 20 5 BEBDHN CC(COC(=O)[C@H]1CCCC(C)(C)C1)[N+](=O)[O-] ZINC000813115375 582591986 /nfs/dbraw/zinc/59/19/86/582591986.db2.gz QIABZMZBALVLNZ-UWVGGRQHSA-N 0 3 243.303 2.411 20 5 BEBDHN CC[C@@H]1CCC[C@@]1(C)C(=O)OCC(C)[N+](=O)[O-] ZINC000893048766 583037954 /nfs/dbraw/zinc/03/79/54/583037954.db2.gz YCVGJCXONVMFCD-HOSYDEDBSA-N 0 3 243.303 2.411 20 5 BEBDHN CCCCCC[C@@H](C)NCC[N+](=O)[O-] ZINC000899858827 584242612 /nfs/dbraw/zinc/24/26/12/584242612.db2.gz CKFHSVCSRQYSFS-SNVBAGLBSA-N 0 3 202.298 2.212 20 5 BEBDHN COc1cc([C@H](C)NC2CC2)cc([N+](=O)[O-])c1 ZINC000903056426 584722441 /nfs/dbraw/zinc/72/24/41/584722441.db2.gz URGNJDHUXRFERR-QMMMGPOBSA-N 0 3 236.271 2.416 20 5 BEBDHN CC(COC(=O)C1CC(C(C)(C)C)C1)[N+](=O)[O-] ZINC000838964330 585082482 /nfs/dbraw/zinc/08/24/82/585082482.db2.gz HQCLMBVIQNMONW-XNWIYYODSA-N 0 3 243.303 2.267 20 5 BEBDHN C[C@H]1CCCN1CCNc1ccccc1[N+](=O)[O-] ZINC000742427323 585126108 /nfs/dbraw/zinc/12/61/08/585126108.db2.gz HPYLCRZEDICJFZ-NSHDSACASA-N 0 3 249.314 2.491 20 5 BEBDHN O=[N+]([O-])c1ccc(CN2CC[C@H]3C[C@H]32)cc1 ZINC000761093626 585408456 /nfs/dbraw/zinc/40/84/56/585408456.db2.gz OKAYMNBJIVQEBR-CMPLNLGQSA-N 0 3 218.256 2.189 20 5 BEBDHN CN(CCCF)Cc1ccc([N+](=O)[O-])cc1 ZINC000766863740 585508779 /nfs/dbraw/zinc/50/87/79/585508779.db2.gz FELHEIFXTTXHNU-UHFFFAOYSA-N 0 3 226.251 2.386 20 5 BEBDHN O=[N+]([O-])CCN1CCC[C@@]2(CC=CCC2)C1 ZINC000791051361 585972639 /nfs/dbraw/zinc/97/26/39/585972639.db2.gz BKTDKQHCZMILMX-LBPRGKRZSA-N 0 3 224.304 2.085 20 5 BEBDHN Cc1ccccc1[C@H]1C[C@@H](C)N(CC[N+](=O)[O-])C1 ZINC000791054151 585973187 /nfs/dbraw/zinc/97/31/87/585973187.db2.gz XZPMCYOGZQNPIN-OLZOCXBDSA-N 0 3 248.326 2.450 20 5 BEBDHN Cc1scc(C(=O)OCC(C)[N+](=O)[O-])c1C ZINC000813099884 586591675 /nfs/dbraw/zinc/59/16/75/586591675.db2.gz GAYUHRJYJNILNK-LURJTMIESA-N 0 3 243.284 2.187 20 5 BEBDHN CC(COC(=O)C[C@H]1CCC[C@H]1C)[N+](=O)[O-] ZINC000813103563 586592526 /nfs/dbraw/zinc/59/25/26/586592526.db2.gz QLSCIIDBZVIOCV-KXUCPTDWSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)c1ccccc1Cl)[N+](=O)[O-] ZINC000813106943 586592792 /nfs/dbraw/zinc/59/27/92/586592792.db2.gz IEXWFVPGDXIOEX-SSDOTTSWSA-N 0 3 243.646 2.162 20 5 BEBDHN CC(COC(=O)c1csc(Cl)c1)[N+](=O)[O-] ZINC000813109343 586593247 /nfs/dbraw/zinc/59/32/47/586593247.db2.gz ITTAUZCUADCUMH-RXMQYKEDSA-N 0 3 249.675 2.224 20 5 BEBDHN CC(COC(=O)C1=CCCCCC1)[N+](=O)[O-] ZINC000813114045 586594111 /nfs/dbraw/zinc/59/41/11/586594111.db2.gz YAPAQVJSEDOGBB-VIFPVBQESA-N 0 3 227.260 2.085 20 5 BEBDHN CC(COC(=O)c1cccc(Cl)c1)[N+](=O)[O-] ZINC000813114577 586594145 /nfs/dbraw/zinc/59/41/45/586594145.db2.gz DBWAIJLKRKOCPI-SSDOTTSWSA-N 0 3 243.646 2.162 20 5 BEBDHN CC(COC(=O)C1(C2CCC2)CCC1)[N+](=O)[O-] ZINC000835455054 587803091 /nfs/dbraw/zinc/80/30/91/587803091.db2.gz MDLUGBSHVIGXIX-SECBINFHSA-N 0 3 241.287 2.165 20 5 BEBDHN CC(COC(=O)[C@@H]1C[C@H]1C1CCCC1)[N+](=O)[O-] ZINC000845577040 588233935 /nfs/dbraw/zinc/23/39/35/588233935.db2.gz QZEHHZNCJXAMLY-DVVUODLYSA-N 0 3 241.287 2.021 20 5 BEBDHN Cc1cccc([N+](=O)[O-])c1N1CCNC(C)(C)C1 ZINC000212763438 591427676 /nfs/dbraw/zinc/42/76/76/591427676.db2.gz CVWVKWIXVOBFRZ-UHFFFAOYSA-N 0 3 249.314 2.091 20 5 BEBDHN CC[C@@H](CO)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526260 631729523 /nfs/dbraw/zinc/72/95/23/631729523.db2.gz WZOJXYBOOKAPFR-UWVGGRQHSA-N 0 3 238.287 2.016 20 5 BEBDHN Cc1ccccc1C(C)(C)CNCC[N+](=O)[O-] ZINC000905086535 637584642 /nfs/dbraw/zinc/58/46/42/637584642.db2.gz DHVFKLKHKKOMEP-UHFFFAOYSA-N 0 3 236.315 2.139 20 5 BEBDHN O=[N+]([O-])CCN[C@@H](c1ccccc1)C1CC1 ZINC000930238216 639645126 /nfs/dbraw/zinc/64/51/26/639645126.db2.gz CPCVDCUXYCKBJU-LBPRGKRZSA-N 0 3 220.272 2.004 20 5 BEBDHN C[C@@H]1[C@H](c2ccccc2)CCN1CC[N+](=O)[O-] ZINC000929811634 646332717 /nfs/dbraw/zinc/33/27/17/646332717.db2.gz BZCJMWFANPCFAN-DGCLKSJQSA-N 0 3 234.299 2.141 20 5 BEBDHN CC(C)C[C@@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929836599 646352923 /nfs/dbraw/zinc/35/29/23/646352923.db2.gz VIHZEXKUFIEWNT-NSHDSACASA-N 0 3 214.309 2.021 20 5 BEBDHN C[C@]1(NCC[N+](=O)[O-])CCCc2ccccc21 ZINC000929970924 646383255 /nfs/dbraw/zinc/38/32/55/646383255.db2.gz JMQGMUFONPUCJM-ZDUSSCGKSA-N 0 3 234.299 2.104 20 5 BEBDHN CCN1CCN(c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000754079495 712406185 /nfs/dbraw/zinc/40/61/85/712406185.db2.gz JDSDMGDCEMFGTJ-LLVKDONJSA-N 0 3 249.314 2.125 20 5 BEBDHN CCN1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1 ZINC000712595128 712436375 /nfs/dbraw/zinc/43/63/75/712436375.db2.gz PCXOBUIPAKDCQU-LBPRGKRZSA-N 0 3 235.287 2.101 20 5 BEBDHN Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN(C)[C@H]1C ZINC000719622504 712817447 /nfs/dbraw/zinc/81/74/47/712817447.db2.gz FTJQZEHSAYWDRS-QWRGUYRKSA-N 0 3 249.314 2.408 20 5 BEBDHN C[C@@H](N[C@@H](C)[C@H](C)O)c1ccccc1[N+](=O)[O-] ZINC001329649241 973870578 /nfs/dbraw/zinc/87/05/78/973870578.db2.gz ZNXMGBIGQXQKRX-AEJSXWLSSA-N 0 3 238.287 2.015 20 5 BEBDHN CC(COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)[N+](=O)[O-] ZINC001346122955 980760383 /nfs/dbraw/zinc/76/03/83/980760383.db2.gz HDPJSCNXHMICDB-XWLWVQCSSA-N 0 3 241.287 2.021 20 5 BEBDHN CCC1(CC)CCN(CC[N+](=O)[O-])CC1 ZINC001354635634 983337688 /nfs/dbraw/zinc/33/76/88/983337688.db2.gz QMHPWHZFQFUADX-UHFFFAOYSA-N 0 3 214.309 2.165 20 5 BEBDHN CC(COC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)[N+](=O)[O-] ZINC001122950442 990468213 /nfs/dbraw/zinc/46/82/13/990468213.db2.gz JRDXCLJQFKKCEV-XWLWVQCSSA-N 0 3 241.287 2.021 20 5 BEBDHN O=[N+]([O-])c1ccc(N2CCc3cnccc32)cn1 ZINC001306984514 995280631 /nfs/dbraw/zinc/28/06/31/995280631.db2.gz IEDFVTFMLGHKBV-UHFFFAOYSA-N 0 3 242.238 2.079 20 5 BEBDHN Cc1cc(NCCN(C)C)c(F)cc1[N+](=O)[O-] ZINC000290890881 178160017 /nfs/dbraw/zinc/16/00/17/178160017.db2.gz CXJQOQLVVRPSFK-UHFFFAOYSA-N 0 3 241.266 2.016 20 5 BEBDHN Cc1cc(NC[C@H]2CCCN2C)ccc1[N+](=O)[O-] ZINC000221254637 178170305 /nfs/dbraw/zinc/17/03/05/178170305.db2.gz NEHSJNRQNTUSPN-GFCCVEGCSA-N 0 3 249.314 2.409 20 5 BEBDHN O=[N+]([O-])c1cccc(CN2C[C@@H]3C[C@@H]3C2)c1 ZINC000600184362 342697721 /nfs/dbraw/zinc/69/77/21/342697721.db2.gz HIMZNENGPHHEHZ-PHIMTYICSA-N 0 3 218.256 2.047 20 5 BEBDHN CN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN(C)C1 ZINC000091484514 345594988 /nfs/dbraw/zinc/59/49/88/345594988.db2.gz SEHYWMHJMBEUOP-CYBMUJFWSA-N 0 3 249.314 2.125 20 5 BEBDHN CN(C)CCSc1ccc([N+](=O)[O-])cc1F ZINC000149409506 345716404 /nfs/dbraw/zinc/71/64/04/345716404.db2.gz IOMUOWMTEXSXAK-UHFFFAOYSA-N 0 3 244.291 2.388 20 5 BEBDHN Cc1cccc(NCCN(C)C2CC2)c1[N+](=O)[O-] ZINC000218842105 179145222 /nfs/dbraw/zinc/14/52/22/179145222.db2.gz MQYUDUKPGVVVID-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN O=[N+]([O-])c1ccc(CN[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000594983663 348164681 /nfs/dbraw/zinc/16/46/81/348164681.db2.gz AGQAVEFYKGQTRC-ITGUQSILSA-N 0 3 232.283 2.483 20 5 BEBDHN CSCCNCc1ccc([N+](=O)[O-])cc1F ZINC000309271830 350248507 /nfs/dbraw/zinc/24/85/07/350248507.db2.gz DNUXWZXLTJXNES-UHFFFAOYSA-N 0 3 244.291 2.187 20 5 BEBDHN CC(C)CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332674675 371361708 /nfs/dbraw/zinc/36/17/08/371361708.db2.gz JWWHWAJVBNPSGG-UHFFFAOYSA-N 0 3 235.287 2.004 20 5 BEBDHN COC[C@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000350097038 371555481 /nfs/dbraw/zinc/55/54/81/371555481.db2.gz LARFELRSDVYKNM-JTQLQIEISA-N 0 3 238.287 2.028 20 5 BEBDHN O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC=CO1 ZINC000050269723 383988455 /nfs/dbraw/zinc/98/84/55/383988455.db2.gz QPOHVTLCKKXCHL-LBPRGKRZSA-N 0 3 248.282 2.377 20 5 BEBDHN CS[C@@H](C)CNCc1ccccc1[N+](=O)[O-] ZINC000128000133 384073013 /nfs/dbraw/zinc/07/30/13/384073013.db2.gz BZZYBSYEMOJVEC-VIFPVBQESA-N 0 3 240.328 2.436 20 5 BEBDHN O=[N+]([O-])c1ccc(CNC2CCC2)c(F)c1 ZINC000336683534 384251221 /nfs/dbraw/zinc/25/12/21/384251221.db2.gz ZAYGFYLICVVYBC-UHFFFAOYSA-N 0 3 224.235 2.376 20 5 BEBDHN C[C@@H]1C[C@H]1NCc1csc([N+](=O)[O-])c1 ZINC000052274892 385714415 /nfs/dbraw/zinc/71/44/15/385714415.db2.gz QTNSGVYJZXCDOS-HTRCEHHLSA-N 0 3 212.274 2.154 20 5 BEBDHN Cc1cccc(NCC2(N(C)C)CC2)c1[N+](=O)[O-] ZINC000397996476 385729381 /nfs/dbraw/zinc/72/93/81/385729381.db2.gz ZZYNDVOBDQCPQO-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN CO[C@@H](C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182428294 385862549 /nfs/dbraw/zinc/86/25/49/385862549.db2.gz BNCARZSGVCFWNJ-UWVGGRQHSA-N 0 3 238.287 2.280 20 5 BEBDHN C[C@@H](NCC[C@H](C)O)c1ccccc1[N+](=O)[O-] ZINC000085980780 386695528 /nfs/dbraw/zinc/69/55/28/386695528.db2.gz GFADSHQUCMRXDU-VHSXEESVSA-N 0 3 238.287 2.016 20 5 BEBDHN C[C@H](O)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000085984293 386696919 /nfs/dbraw/zinc/69/69/19/386696919.db2.gz WOSBGXSEVOKQGP-UWVGGRQHSA-N 0 3 238.287 2.016 20 5 BEBDHN C[C@H](O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000085983473 386697173 /nfs/dbraw/zinc/69/71/73/386697173.db2.gz PVCVJONDNOHIJM-UWVGGRQHSA-N 0 3 238.287 2.016 20 5 BEBDHN CC[C@@H](NC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000035601426 387373956 /nfs/dbraw/zinc/37/39/56/387373956.db2.gz YJMQFGOWDXPWOH-JOYOIKCWSA-N 0 3 238.287 2.016 20 5 BEBDHN CO[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1C ZINC000191139431 387348312 /nfs/dbraw/zinc/34/83/12/387348312.db2.gz LDBWWXPCURHJMY-JTQLQIEISA-N 0 3 238.287 2.028 20 5 BEBDHN CC[C@H](CO)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177150 388191325 /nfs/dbraw/zinc/19/13/25/388191325.db2.gz BWOPKIMENZYADG-GXSJLCMTSA-N 0 3 238.287 2.016 20 5 BEBDHN CO[C@@H](C)[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000163248549 388374117 /nfs/dbraw/zinc/37/41/17/388374117.db2.gz MBBFYFZPWXSQOM-UWVGGRQHSA-N 0 3 238.287 2.108 20 5 BEBDHN CO[C@H](C)CN[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000227986189 388375348 /nfs/dbraw/zinc/37/53/48/388375348.db2.gz OLFNUDSMCRXGOJ-ZJUUUORDSA-N 0 3 238.287 2.280 20 5 BEBDHN CSC[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000076769593 388443767 /nfs/dbraw/zinc/44/37/67/388443767.db2.gz VXXUBROSCVZMSU-VIFPVBQESA-N 0 3 240.328 2.436 20 5 BEBDHN O=[N+]([O-])c1ccccc1CNC[C@H]1CC12CC2 ZINC000418099629 388675488 /nfs/dbraw/zinc/67/54/88/388675488.db2.gz QCVVIWWNOAYIGA-LLVKDONJSA-N 0 3 232.283 2.485 20 5 BEBDHN O=[N+]([O-])c1cccc(CCNCC2(F)CC2)c1 ZINC000525990707 388683528 /nfs/dbraw/zinc/68/35/28/388683528.db2.gz BOTZCPLVMNPAMN-UHFFFAOYSA-N 0 3 238.262 2.229 20 5 BEBDHN CO[C@H](C)CN(C)Cc1cccc([N+](=O)[O-])c1 ZINC000272820854 388741244 /nfs/dbraw/zinc/74/12/44/388741244.db2.gz PCAXCRJBIOWGDM-SNVBAGLBSA-N 0 3 238.287 2.062 20 5 BEBDHN O=[N+]([O-])c1cccc(CN[C@H]2CC23CC3)c1 ZINC000424183509 388694820 /nfs/dbraw/zinc/69/48/20/388694820.db2.gz JGVZJSUBVOMRSC-NSHDSACASA-N 0 3 218.256 2.237 20 5 BEBDHN O=[N+]([O-])c1ccccc1CN[C@@H]1CC12CC2 ZINC000424187731 388695323 /nfs/dbraw/zinc/69/53/23/388695323.db2.gz WIQJAZCWPATJKK-LLVKDONJSA-N 0 3 218.256 2.237 20 5 BEBDHN CC[C@H](COC)NCc1ccccc1[N+](=O)[O-] ZINC000079713397 388697871 /nfs/dbraw/zinc/69/78/71/388697871.db2.gz BXJCCDSXDHQOAR-LLVKDONJSA-N 0 3 238.287 2.109 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)NC[C@H]2C)c1 ZINC000251016868 132232442 /nfs/dbraw/zinc/23/24/42/132232442.db2.gz NUQQWHFRSANZIK-GHMZBOCLSA-N 0 3 249.314 2.090 20 5 BEBDHN C[C@H]1C[C@H]1CNCc1ccccc1[N+](=O)[O-] ZINC000136403051 397734374 /nfs/dbraw/zinc/73/43/74/397734374.db2.gz AUQIAOGYJKKUBM-ONGXEEELSA-N 0 3 220.272 2.340 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCN2C)c1 ZINC000228763602 411186607 /nfs/dbraw/zinc/18/66/07/411186607.db2.gz QWIQGJLKHPKWTD-NSHDSACASA-N 0 3 249.314 2.409 20 5 BEBDHN C[C@@H]1C[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000136336624 176397122 /nfs/dbraw/zinc/39/71/22/176397122.db2.gz SEEAPPSVHOWGPC-VXNVDRBHSA-N 0 3 226.301 2.402 20 5 BEBDHN C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000293525757 177254698 /nfs/dbraw/zinc/25/46/98/177254698.db2.gz WLPWHAUABDDJLV-QWRGUYRKSA-N 0 3 234.299 2.478 20 5 BEBDHN C[C@H]1C[C@@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000136336669 177345819 /nfs/dbraw/zinc/34/58/19/177345819.db2.gz SEEAPPSVHOWGPC-IONNQARKSA-N 0 3 226.301 2.402 20 5 BEBDHN CCC(C)(C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813109247 586593301 /nfs/dbraw/zinc/59/33/01/586593301.db2.gz QFHRJBOCLJTDMI-MRVPVSSYSA-N 0 3 217.265 2.021 20 5 BEBDHN CN(CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000047914912 323076287 /nfs/dbraw/zinc/07/62/87/323076287.db2.gz AONOEMSFEPRFJD-UHFFFAOYSA-N 0 3 236.271 2.068 20 5 BEBDHN CCN(CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051589467 323190258 /nfs/dbraw/zinc/19/02/58/323190258.db2.gz LHKRRMSMQLXBTB-UHFFFAOYSA-N 0 3 238.287 2.445 20 5 BEBDHN CC[C@H](CC(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813108271 582586344 /nfs/dbraw/zinc/58/63/44/582586344.db2.gz XBWWUVJWXWEGPW-VHSXEESVSA-N 0 3 231.292 2.267 20 5 BEBDHN CCN1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000286315850 535748060 /nfs/dbraw/zinc/74/80/60/535748060.db2.gz KLZUZHFWJDWXBQ-LLVKDONJSA-N 0 3 249.314 2.125 20 5 BEBDHN CCC1(C(=O)OCC(C)[N+](=O)[O-])CCCC1 ZINC000813107442 582585263 /nfs/dbraw/zinc/58/52/63/582585263.db2.gz NLBYYGVMRUBMLY-SECBINFHSA-N 0 3 229.276 2.165 20 5 BEBDHN CC[C@@H]1CCCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110731 582588387 /nfs/dbraw/zinc/58/83/87/582588387.db2.gz IHKVBMLUOWTVCJ-AXFHLTTASA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)[C@@H](C)C1CCCC1)[N+](=O)[O-] ZINC000813112466 582589311 /nfs/dbraw/zinc/58/93/11/582589311.db2.gz QHEBXTBRYYHPRW-IUCAKERBSA-N 0 3 229.276 2.021 20 5 BEBDHN CCC[C@H]1CN(c2ccccc2[N+](=O)[O-])CCN1 ZINC000895059007 583576027 /nfs/dbraw/zinc/57/60/27/583576027.db2.gz QFXZHJIXNINKNZ-NSHDSACASA-N 0 3 249.314 2.173 20 5 BEBDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@H]2C[C@H]21 ZINC000761090832 585408058 /nfs/dbraw/zinc/40/80/58/585408058.db2.gz IBUBCGKRPGZNFK-CMPLNLGQSA-N 0 3 248.282 2.068 20 5 BEBDHN C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])cc2)CCN1C ZINC000774536803 585661034 /nfs/dbraw/zinc/66/10/34/585661034.db2.gz MPLOWHRSQOOCON-MNOVXSKESA-N 0 3 249.314 2.124 20 5 BEBDHN Cc1ccccc1[C@H]1CCCN1CC[N+](=O)[O-] ZINC000791051939 585972894 /nfs/dbraw/zinc/97/28/94/585972894.db2.gz INUVYXYSSAJHLM-CYBMUJFWSA-N 0 3 234.299 2.409 20 5 BEBDHN CC(COC(=O)C[C@@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813101537 586591863 /nfs/dbraw/zinc/59/18/63/586591863.db2.gz CZRQFZXJQLXRQA-GMTAPVOTSA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)[C@@H]1CCCCC1(C)C)[N+](=O)[O-] ZINC000813110690 586593449 /nfs/dbraw/zinc/59/34/49/586593449.db2.gz HOELKJFRLXYYQY-UWVGGRQHSA-N 0 3 243.303 2.411 20 5 BEBDHN CCC(C)(CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813114715 586593956 /nfs/dbraw/zinc/59/39/56/586593956.db2.gz GEOOHUMZXWAXQW-QMMMGPOBSA-N 0 3 217.265 2.021 20 5 BEBDHN CC(COC(=O)[C@H]1CC2CCC1CC2)[N+](=O)[O-] ZINC000816090879 586707302 /nfs/dbraw/zinc/70/73/02/586707302.db2.gz BBGIVHFCHGNODZ-SFXRXQKFSA-N 0 3 241.287 2.021 20 5 BEBDHN CC[C@@H]1CCC[C@@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000835453834 587802911 /nfs/dbraw/zinc/80/29/11/587802911.db2.gz HEWDZBUMJFEREX-BBBLOLIVSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)[C@H]1C[C@@H]1C1CCCC1)[N+](=O)[O-] ZINC000845577042 588233932 /nfs/dbraw/zinc/23/39/32/588233932.db2.gz QZEHHZNCJXAMLY-IEBDPFPHSA-N 0 3 241.287 2.021 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(C)c1CNC1CC1 ZINC000873007174 589978969 /nfs/dbraw/zinc/97/89/69/589978969.db2.gz WWBMGOYHQKMADM-UHFFFAOYSA-N 0 3 220.272 2.464 20 5 BEBDHN CC[C@H](CO)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526261 590118700 /nfs/dbraw/zinc/11/87/00/590118700.db2.gz WZOJXYBOOKAPFR-VHSXEESVSA-N 0 3 238.287 2.016 20 5 BEBDHN CC[C@@H](CO)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526262 590118828 /nfs/dbraw/zinc/11/88/28/590118828.db2.gz WZOJXYBOOKAPFR-ZJUUUORDSA-N 0 3 238.287 2.016 20 5 BEBDHN CC1(C)CC[C@H]1NCc1cccnc1[N+](=O)[O-] ZINC000886229508 592180999 /nfs/dbraw/zinc/18/09/99/592180999.db2.gz QMGWOVJYUPNDCR-SNVBAGLBSA-N 0 3 235.287 2.268 20 5 BEBDHN C[C@@H]1[C@H](C)CN(Cc2cccnc2[N+](=O)[O-])[C@H]1C ZINC000886249098 592184948 /nfs/dbraw/zinc/18/49/48/592184948.db2.gz CPNULRMKQKUDFC-MXWKQRLJSA-N 0 3 249.314 2.466 20 5 BEBDHN CC[C@@H](NCc1cccnc1[N+](=O)[O-])C1CC1 ZINC000886280417 592198006 /nfs/dbraw/zinc/19/80/06/592198006.db2.gz DQUWHKPCXAUKJK-LLVKDONJSA-N 0 3 235.287 2.268 20 5 BEBDHN O=[N+]([O-])CCN1CCC[C@H](C2CCC2)CC1 ZINC000931506686 640238457 /nfs/dbraw/zinc/23/84/57/640238457.db2.gz AFOYOXQJZMUSRK-LBPRGKRZSA-N 0 3 226.320 2.165 20 5 BEBDHN CC[C@@H]1CN(C)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000814938860 644946818 /nfs/dbraw/zinc/94/68/18/644946818.db2.gz WYKXOKVVPSJFAZ-LLVKDONJSA-N 0 3 249.314 2.125 20 5 BEBDHN C[C@H]1C[C@H](c2ccccc2)CN1CC[N+](=O)[O-] ZINC000929653456 646223466 /nfs/dbraw/zinc/22/34/66/646223466.db2.gz BXSZJBYLAMOBFE-AAEUAGOBSA-N 0 3 234.299 2.141 20 5 BEBDHN O=[N+]([O-])c1cccc(CN[C@H]2C=CCC2)c1 ZINC000700543674 711996636 /nfs/dbraw/zinc/99/66/36/711996636.db2.gz NSIYIADYPOUBHQ-NSHDSACASA-N 0 3 218.256 2.403 20 5 BEBDHN Cc1ccc([N+](=O)[O-])cc1Nc1nccn1C ZINC001211283461 970218378 /nfs/dbraw/zinc/21/83/78/970218378.db2.gz AOWQJYSGROOWSE-UHFFFAOYSA-N 0 3 232.243 2.380 20 5 BEBDHN CC(COC(=O)C1(C)CCC(C)CC1)[N+](=O)[O-] ZINC001348532616 981383392 /nfs/dbraw/zinc/38/33/92/981383392.db2.gz FYRIBDIZLYOWMO-YZRBJQDESA-N 0 3 243.303 2.411 20 5 BEBDHN CC(C)N(CCc1ccccc1)CC[N+](=O)[O-] ZINC001351103549 982206791 /nfs/dbraw/zinc/20/67/91/982206791.db2.gz SHONPBLVCXOFAJ-UHFFFAOYSA-N 0 3 236.315 2.216 20 5 BEBDHN Cc1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000600187409 342697731 /nfs/dbraw/zinc/69/77/31/342697731.db2.gz YARJLWQTICSTNK-TXEJJXNPSA-N 0 3 232.283 2.355 20 5 BEBDHN CSCCNCc1csc([N+](=O)[O-])c1 ZINC000070185002 345456965 /nfs/dbraw/zinc/45/69/65/345456965.db2.gz WGFWALWQGCTEDC-UHFFFAOYSA-N 0 3 232.330 2.109 20 5 BEBDHN C[C@@H]1C[C@@H]1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599354432 349164710 /nfs/dbraw/zinc/16/47/10/349164710.db2.gz VPVXOSWSMLFGAV-NXEZZACHSA-N 0 3 247.298 2.004 20 5 BEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000153006044 363017158 /nfs/dbraw/zinc/01/71/58/363017158.db2.gz PGMIUWPXSIXETI-UPJWGTAASA-N 0 3 248.282 2.004 20 5 BEBDHN CC[C@@H](O)CN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000164200533 352567317 /nfs/dbraw/zinc/56/73/17/352567317.db2.gz DNMXOIOXJDLMNI-NXEZZACHSA-N 0 3 238.287 2.016 20 5 BEBDHN CCC[C@H]1CNCCN1c1ccccc1[N+](=O)[O-] ZINC000420240453 192184495 /nfs/dbraw/zinc/18/44/95/192184495.db2.gz URBJLIRTTKYSHH-NSHDSACASA-N 0 3 249.314 2.173 20 5 BEBDHN CN(C[C@@H]1CCCN1C)c1ccccc1[N+](=O)[O-] ZINC000420635274 192253003 /nfs/dbraw/zinc/25/30/03/192253003.db2.gz LYPNWAMLYMIFRF-NSHDSACASA-N 0 3 249.314 2.125 20 5 BEBDHN CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000089212506 357138333 /nfs/dbraw/zinc/13/83/33/357138333.db2.gz BLZUUPAHIQRLBC-UHFFFAOYSA-N 0 3 236.271 2.068 20 5 BEBDHN CC[C@@H](N[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000035602182 358002425 /nfs/dbraw/zinc/00/24/25/358002425.db2.gz YMZYDDOIMRWRPL-BXKDBHETSA-N 0 3 238.287 2.016 20 5 BEBDHN COC[C@@H](C)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000193898480 367225174 /nfs/dbraw/zinc/22/51/74/367225174.db2.gz HJLJGJUPRNGRSH-SNVBAGLBSA-N 0 3 238.287 2.062 20 5 BEBDHN Cn1ccc(CNCc2ccc([N+](=O)[O-])cc2)c1 ZINC000091008485 368953617 /nfs/dbraw/zinc/95/36/17/368953617.db2.gz QCOLMDVPFWAVIU-UHFFFAOYSA-N 0 3 245.282 2.223 20 5 BEBDHN CCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602504501 371815708 /nfs/dbraw/zinc/81/57/08/371815708.db2.gz RXAVTDCVTLDRJT-UHFFFAOYSA-N 0 3 235.243 2.236 20 5 BEBDHN C[C@@H](CF)NCCc1ccc([N+](=O)[O-])cc1 ZINC000602664272 371828118 /nfs/dbraw/zinc/82/81/18/371828118.db2.gz YPPAOHSWBSVMEV-VIFPVBQESA-N 0 3 226.251 2.085 20 5 BEBDHN CC[C@@H](O)CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163922553 372079167 /nfs/dbraw/zinc/07/91/67/372079167.db2.gz NQLKSZNGIZUAAF-BXKDBHETSA-N 0 3 238.287 2.016 20 5 BEBDHN CCCNCc1cc([N+](=O)[O-])ccc1OCC ZINC000035414724 169267216 /nfs/dbraw/zinc/26/72/16/169267216.db2.gz DXHGXQYOHXTPDH-UHFFFAOYSA-N 0 3 238.287 2.493 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CN(C)C)c1 ZINC000126383968 383924279 /nfs/dbraw/zinc/92/42/79/383924279.db2.gz CHXOKXIRIQWRFY-JTQLQIEISA-N 0 3 237.303 2.265 20 5 BEBDHN C[C@H](F)CCNCc1cccc([N+](=O)[O-])c1 ZINC000339482649 383988675 /nfs/dbraw/zinc/98/86/75/383988675.db2.gz IBXIRPRZZSZHRL-VIFPVBQESA-N 0 3 226.251 2.433 20 5 BEBDHN CN(C)CCSc1cccc([N+](=O)[O-])c1 ZINC000337914731 384043187 /nfs/dbraw/zinc/04/31/87/384043187.db2.gz NTCOSESIEQSLMX-UHFFFAOYSA-N 0 3 226.301 2.249 20 5 BEBDHN Cc1cccc([N+](=O)[O-])c1NCC1(N(C)C)CC1 ZINC000397913197 385729199 /nfs/dbraw/zinc/72/91/99/385729199.db2.gz BQNLAYBSHLXYPZ-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN O=[N+]([O-])c1ccc(CN[C@H]2C[C@H]2C(F)F)cc1 ZINC000342213441 385873322 /nfs/dbraw/zinc/87/33/22/385873322.db2.gz NZYQVMTYISWJHO-ZJUUUORDSA-N 0 3 242.225 2.338 20 5 BEBDHN Cc1ccc(NC[C@@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000229326236 386166109 /nfs/dbraw/zinc/16/61/09/386166109.db2.gz AQPSHTCMECAIDL-NSHDSACASA-N 0 3 249.314 2.409 20 5 BEBDHN Cc1ccc(NC[C@H]2CCCN2C)c([N+](=O)[O-])c1 ZINC000229326248 386167393 /nfs/dbraw/zinc/16/73/93/386167393.db2.gz AQPSHTCMECAIDL-LLVKDONJSA-N 0 3 249.314 2.409 20 5 BEBDHN CS[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000122216116 388368157 /nfs/dbraw/zinc/36/81/57/388368157.db2.gz NDGUADDBWFLAPS-VIFPVBQESA-N 0 3 240.328 2.436 20 5 BEBDHN O=[N+]([O-])c1ccccc1CN[C@H]1CC12CC2 ZINC000424187733 388694924 /nfs/dbraw/zinc/69/49/24/388694924.db2.gz WIQJAZCWPATJKK-NSHDSACASA-N 0 3 218.256 2.237 20 5 BEBDHN CSC[C@H](C)NCc1csc([N+](=O)[O-])c1 ZINC000124977067 388764192 /nfs/dbraw/zinc/76/41/92/388764192.db2.gz CHQJXUMRTQBGRD-ZETCQYMHSA-N 0 3 246.357 2.497 20 5 BEBDHN C[C@@H](CN(C)C)Nc1ccc([N+](=O)[O-])cc1F ZINC000169011943 134248788 /nfs/dbraw/zinc/24/87/88/134248788.db2.gz IXUYKKGIMZXPJL-QMMMGPOBSA-N 0 3 241.266 2.096 20 5 BEBDHN CC(C)OCCNCc1cccc([N+](=O)[O-])c1 ZINC000052926275 167241518 /nfs/dbraw/zinc/24/15/18/167241518.db2.gz LXCCNJBEJKRJSF-UHFFFAOYSA-N 0 3 238.287 2.109 20 5 BEBDHN CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000035414713 170125630 /nfs/dbraw/zinc/12/56/30/170125630.db2.gz DJWAFHSDJONAMT-UHFFFAOYSA-N 0 3 246.213 2.306 20 5 BEBDHN C[C@@H](CSc1ncccc1[N+](=O)[O-])N(C)C ZINC000358876056 175764973 /nfs/dbraw/zinc/76/49/73/175764973.db2.gz BMSQVYLBQKCMNB-QMMMGPOBSA-N 0 3 241.316 2.032 20 5 BEBDHN C[C@@H]1C[C@H]1NCc1cccc([N+](=O)[O-])c1 ZINC000052272246 176446194 /nfs/dbraw/zinc/44/61/94/176446194.db2.gz XTHBXAHCYVEIQS-LDYMZIIASA-N 0 3 206.245 2.093 20 5 BEBDHN C[C@H]1CCN(C)CCN1c1ccccc1[N+](=O)[O-] ZINC000354086774 177157356 /nfs/dbraw/zinc/15/73/56/177157356.db2.gz TZZMUAGACGOVDO-NSHDSACASA-N 0 3 249.314 2.125 20 5 BEBDHN C[C@@H]1[C@@H](C)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000293525759 177254725 /nfs/dbraw/zinc/25/47/25/177254725.db2.gz WLPWHAUABDDJLV-WDEREUQCSA-N 0 3 234.299 2.478 20 5 BEBDHN C[C@H]1C[C@H]1CNCc1csc([N+](=O)[O-])c1 ZINC000136336737 177382226 /nfs/dbraw/zinc/38/22/26/177382226.db2.gz SEEAPPSVHOWGPC-CBAPKCEASA-N 0 3 226.301 2.402 20 5 BEBDHN CC(COC(=O)CCC(C)(C)C)[N+](=O)[O-] ZINC000813114166 586594068 /nfs/dbraw/zinc/59/40/68/586594068.db2.gz ZKAFKVPOKQVMCM-QMMMGPOBSA-N 0 3 217.265 2.021 20 5 BEBDHN COc1ccc(CN(C)C2CC2)cc1[N+](=O)[O-] ZINC000047914416 323072029 /nfs/dbraw/zinc/07/20/29/323072029.db2.gz XAZRDVSKMIBPDQ-UHFFFAOYSA-N 0 3 236.271 2.198 20 5 BEBDHN O=[N+]([O-])c1cccc(CNCC2=CCOCC2)c1 ZINC000397761795 323091837 /nfs/dbraw/zinc/09/18/37/323091837.db2.gz KZIMDRTXZJCENR-UHFFFAOYSA-N 0 3 248.282 2.031 20 5 BEBDHN COC(C)(C)CNCc1cccc([N+](=O)[O-])c1 ZINC000135231330 325401181 /nfs/dbraw/zinc/40/11/81/325401181.db2.gz SKINGGLWYNEFGL-UHFFFAOYSA-N 0 3 238.287 2.109 20 5 BEBDHN CCC1(C(=O)OCC(C)[N+](=O)[O-])CCCC1 ZINC000813107444 582585307 /nfs/dbraw/zinc/58/53/07/582585307.db2.gz NLBYYGVMRUBMLY-VIFPVBQESA-N 0 3 229.276 2.165 20 5 BEBDHN CC(COC(=O)[C@H](C)C1CCCC1)[N+](=O)[O-] ZINC000813112465 582589623 /nfs/dbraw/zinc/58/96/23/582589623.db2.gz QHEBXTBRYYHPRW-DTWKUNHWSA-N 0 3 229.276 2.021 20 5 BEBDHN C/C=C/CN[C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858538312 588963493 /nfs/dbraw/zinc/96/34/93/588963493.db2.gz TVVCQRCILLEMOI-CDAZIORVSA-N 0 3 235.287 2.404 20 5 BEBDHN C/C=C/CN[C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858538313 588963579 /nfs/dbraw/zinc/96/35/79/588963579.db2.gz TVVCQRCILLEMOI-NWALNABHSA-N 0 3 235.287 2.404 20 5 BEBDHN O=[N+]([O-])c1ccc(CN2CC[C@@H]3C[C@@H]32)cc1 ZINC000761093630 585408544 /nfs/dbraw/zinc/40/85/44/585408544.db2.gz OKAYMNBJIVQEBR-PWSUYJOCSA-N 0 3 218.256 2.189 20 5 BEBDHN O=[N+]([O-])CCN1CCCC[C@@H]1Cc1ccccc1 ZINC000787720736 585914560 /nfs/dbraw/zinc/91/45/60/585914560.db2.gz ZWFGAHBZCSPHGM-CQSZACIVSA-N 0 3 248.326 2.360 20 5 BEBDHN CC(C)(C)[C@@H]1CCCN(CC[N+](=O)[O-])CC1 ZINC000791052110 585972687 /nfs/dbraw/zinc/97/26/87/585972687.db2.gz LKVQYAPHGLOCON-LLVKDONJSA-N 0 3 228.336 2.411 20 5 BEBDHN CC(C)C[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102148 586591929 /nfs/dbraw/zinc/59/19/29/586591929.db2.gz OGMCVVKGZVBXSC-ZJUUUORDSA-N 0 3 231.292 2.267 20 5 BEBDHN CC(COC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)[N+](=O)[O-] ZINC000813106299 586592713 /nfs/dbraw/zinc/59/27/13/586592713.db2.gz ADCUAJOKDHPFGJ-ZRUFSTJUSA-N 0 3 243.303 2.267 20 5 BEBDHN CC(COC(=O)[C@H](C)CC1CCCC1)[N+](=O)[O-] ZINC000813107694 586592747 /nfs/dbraw/zinc/59/27/47/586592747.db2.gz ULSIZBNEBOMKOZ-NXEZZACHSA-N 0 3 243.303 2.411 20 5 BEBDHN CCc1ccc(C(=O)OCC(C)[N+](=O)[O-])cc1 ZINC000813106726 586592880 /nfs/dbraw/zinc/59/28/80/586592880.db2.gz GIDBQAGGOYTUJR-SECBINFHSA-N 0 3 237.255 2.071 20 5 BEBDHN CC(COC(=O)c1ccccc1Cl)[N+](=O)[O-] ZINC000813106944 586592882 /nfs/dbraw/zinc/59/28/82/586592882.db2.gz IEXWFVPGDXIOEX-ZETCQYMHSA-N 0 3 243.646 2.162 20 5 BEBDHN CCC[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112340 586593525 /nfs/dbraw/zinc/59/35/25/586593525.db2.gz FRYDRWRVLQOSAW-BDAKNGLRSA-N 0 3 217.265 2.021 20 5 BEBDHN CCc1ccc(C(=O)OCC(C)[N+](=O)[O-])s1 ZINC000813110402 586593551 /nfs/dbraw/zinc/59/35/51/586593551.db2.gz ZUOQBAONWQHXSV-SSDOTTSWSA-N 0 3 243.284 2.133 20 5 BEBDHN CC(C(=O)OCC(C)[N+](=O)[O-])=C1CCCC1 ZINC000813111591 586593621 /nfs/dbraw/zinc/59/36/21/586593621.db2.gz VJXKHZYEMUAFBQ-MRVPVSSYSA-N 0 3 227.260 2.085 20 5 BEBDHN CC(COC(=O)[C@H]1CCCC1(C)C)[N+](=O)[O-] ZINC000813113814 586594010 /nfs/dbraw/zinc/59/40/10/586594010.db2.gz JKSMTCFRYIAMHC-DTWKUNHWSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)c1cc(Cl)cs1)[N+](=O)[O-] ZINC000813113965 586594085 /nfs/dbraw/zinc/59/40/85/586594085.db2.gz XCAPOHJCYVAUHX-YFKPBYRVSA-N 0 3 249.675 2.224 20 5 BEBDHN CC(COC(=O)C(C)(C)C(C)(C)C)[N+](=O)[O-] ZINC000816091474 586707488 /nfs/dbraw/zinc/70/74/88/586707488.db2.gz YLTBHLWLWUZAOI-QMMMGPOBSA-N 0 3 231.292 2.267 20 5 BEBDHN CC[C@@H]1CCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000835453836 587802884 /nfs/dbraw/zinc/80/28/84/587802884.db2.gz HEWDZBUMJFEREX-IVZWLZJFSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)C(C)(C)C1CCC1)[N+](=O)[O-] ZINC000835456953 587803205 /nfs/dbraw/zinc/80/32/05/587803205.db2.gz VBXMLLFJQQVXSY-MRVPVSSYSA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)c1coc(C(F)F)c1)[N+](=O)[O-] ZINC000860777671 589119593 /nfs/dbraw/zinc/11/95/93/589119593.db2.gz SKYWHTNTGDASGL-YFKPBYRVSA-N 0 3 249.169 2.039 20 5 BEBDHN O=[N+]([O-])c1ncccc1CN1CCC[C@@H]1C1CC1 ZINC000885985717 592122218 /nfs/dbraw/zinc/12/22/18/592122218.db2.gz OTMDEZABSUUFJB-GFCCVEGCSA-N 0 3 247.298 2.364 20 5 BEBDHN O=[N+]([O-])c1ncccc1CN[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000886243456 592184802 /nfs/dbraw/zinc/18/48/02/592184802.db2.gz ZJWVZSIQNAJIHQ-ADEWGFFLSA-N 0 3 247.298 2.268 20 5 BEBDHN O=[N+]([O-])c1ncccc1CNC1(C2CCC2)CC1 ZINC000886268005 592190701 /nfs/dbraw/zinc/19/07/01/592190701.db2.gz ZOCLINVOMIKDBK-UHFFFAOYSA-N 0 3 247.298 2.412 20 5 BEBDHN C[C@@H]1CCc2ccccc2[C@H]1NCC[N+](=O)[O-] ZINC000905190510 637671204 /nfs/dbraw/zinc/67/12/04/637671204.db2.gz KZYAKRKHDZECCI-MFKMUULPSA-N 0 3 234.299 2.176 20 5 BEBDHN Cc1cc(CCNCC[N+](=O)[O-])ccc1Cl ZINC000905263746 637717421 /nfs/dbraw/zinc/71/74/21/637717421.db2.gz PIXXHSDGCYAOMH-UHFFFAOYSA-N 0 3 242.706 2.057 20 5 BEBDHN CCOC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000044689964 640449492 /nfs/dbraw/zinc/44/94/92/640449492.db2.gz GIGQARQBSSYPTN-SNVBAGLBSA-N 0 3 238.287 2.109 20 5 BEBDHN CCOC[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000044689981 640450612 /nfs/dbraw/zinc/45/06/12/640450612.db2.gz LNOXOEXIRPBRMS-JTQLQIEISA-N 0 3 238.287 2.109 20 5 BEBDHN C[C@@H]1CCN(CC[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000929260198 646042236 /nfs/dbraw/zinc/04/22/36/646042236.db2.gz VIZKDHIOWGMACQ-GRYCIOLGSA-N 0 3 226.320 2.164 20 5 BEBDHN Cc1ccccc1[C@H]1CCN(CC[N+](=O)[O-])C1 ZINC000929458733 646126028 /nfs/dbraw/zinc/12/60/28/646126028.db2.gz QVZHSEMOBDDTRI-LBPRGKRZSA-N 0 3 234.299 2.061 20 5 BEBDHN CC(C)C[C@H]1CCCN(CC[N+](=O)[O-])C1 ZINC000929836597 646353110 /nfs/dbraw/zinc/35/31/10/646353110.db2.gz VIHZEXKUFIEWNT-LLVKDONJSA-N 0 3 214.309 2.021 20 5 BEBDHN Cc1cccc([N+](=O)[O-])c1N[C@H]1CCN(C)[C@@H]1C ZINC000719622503 712817338 /nfs/dbraw/zinc/81/73/38/712817338.db2.gz FTJQZEHSAYWDRS-MNOVXSKESA-N 0 3 249.314 2.408 20 5 BEBDHN N=CNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001167869232 961367160 /nfs/dbraw/zinc/36/71/60/961367160.db2.gz UFLLOHCVANPMAC-UHFFFAOYSA-N 0 3 216.200 2.162 20 5 BEBDHN COc1ccc(CN[C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000698298220 965193669 /nfs/dbraw/zinc/19/36/69/965193669.db2.gz FHZGNRPPTCTRAO-LLVKDONJSA-N 0 3 248.282 2.412 20 5 BEBDHN CC1(C)CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254596075 969745698 /nfs/dbraw/zinc/74/56/98/969745698.db2.gz BPKJDCIUZXIKQJ-ZDUSSCGKSA-N 0 3 246.310 2.404 20 5 BEBDHN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCC1 ZINC001173224388 975073370 /nfs/dbraw/zinc/07/33/70/975073370.db2.gz FHSBRXXCIZMODG-SNVBAGLBSA-N 0 3 220.272 2.232 20 5 BEBDHN CC(COC(=O)C1(C)CCC(C)CC1)[N+](=O)[O-] ZINC001348532615 981382634 /nfs/dbraw/zinc/38/26/34/981382634.db2.gz FYRIBDIZLYOWMO-SQLBVSGCSA-N 0 3 243.303 2.411 20 5 BEBDHN Cc1ncc(Nc2cc([N+](=O)[O-])cnc2C)n1C ZINC001249546040 989307834 /nfs/dbraw/zinc/30/78/34/989307834.db2.gz ZXFDJJSYXQJFSO-UHFFFAOYSA-N 0 3 247.258 2.084 20 5 BEBDHN CC(COC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)[N+](=O)[O-] ZINC001122950440 990468048 /nfs/dbraw/zinc/46/80/48/990468048.db2.gz JRDXCLJQFKKCEV-MMWGEVLESA-N 0 3 241.287 2.021 20 5 BEBDHN Cc1ccc([C@H]2C[C@H](C)N(CC[N+](=O)[O-])C2)cc1 ZINC001262277777 992833140 /nfs/dbraw/zinc/83/31/40/992833140.db2.gz OGJOJTIAJIGJAA-JSGCOSHPSA-N 0 3 248.326 2.450 20 5 BEBDHN C[C@@H](O)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000085983475 398173569 /nfs/dbraw/zinc/17/35/69/398173569.db2.gz PVCVJONDNOHIJM-ZJUUUORDSA-N 0 3 238.287 2.016 20 5 BEBDHN Cc1cccc(N[C@H](C)CN(C)C)c1[N+](=O)[O-] ZINC000235451374 344918455 /nfs/dbraw/zinc/91/84/55/344918455.db2.gz JBECHNVIXRGZPQ-SNVBAGLBSA-N 0 3 237.303 2.265 20 5 BEBDHN O=[N+]([O-])c1ccc(N[C@H]2CCN(C3CC3)C2)cc1 ZINC000044417211 345056058 /nfs/dbraw/zinc/05/60/58/345056058.db2.gz XJUODRYPTRWSCP-NSHDSACASA-N 0 3 247.298 2.243 20 5 BEBDHN O=[N+]([O-])c1ccccc1N[C@@H]1CCN(C2CC2)C1 ZINC000044411799 345058841 /nfs/dbraw/zinc/05/88/41/345058841.db2.gz PBLLOKOARCYSPG-SNVBAGLBSA-N 0 3 247.298 2.243 20 5 BEBDHN CSCCNCc1ccc(C)c([N+](=O)[O-])c1 ZINC000070184165 345454857 /nfs/dbraw/zinc/45/48/57/345454857.db2.gz HTCDTHRHIMFQSI-UHFFFAOYSA-N 0 3 240.328 2.356 20 5 BEBDHN Cc1cccc([N+](=O)[O-])c1NCCN(C)C1CC1 ZINC000096482938 179206776 /nfs/dbraw/zinc/20/67/76/179206776.db2.gz AWTXUJPXACKPFO-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN C/C=C\CNCc1cccc([N+](=O)[O-])c1 ZINC000308773087 348551615 /nfs/dbraw/zinc/55/16/15/348551615.db2.gz WFNGZCRSJNECGL-IHWYPQMZSA-N 0 3 206.245 2.261 20 5 BEBDHN C[C@@H]1C[C@H]1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000599354435 349164848 /nfs/dbraw/zinc/16/48/48/349164848.db2.gz VPVXOSWSMLFGAV-ZJUUUORDSA-N 0 3 247.298 2.004 20 5 BEBDHN CN1CCC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000044537702 352654397 /nfs/dbraw/zinc/65/43/97/352654397.db2.gz SDAHFXLWKQEYET-NSHDSACASA-N 0 3 249.314 2.349 20 5 BEBDHN CC[C@H](NCCOC)c1cccc([N+](=O)[O-])c1 ZINC000036721062 361388349 /nfs/dbraw/zinc/38/83/49/361388349.db2.gz PPCDQASJDKGNOY-LBPRGKRZSA-N 0 3 238.287 2.282 20 5 BEBDHN C[C@H](N[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000131202623 371568800 /nfs/dbraw/zinc/56/88/00/371568800.db2.gz VMEFVUIKAUQXFK-ONGXEEELSA-N 0 3 236.271 2.034 20 5 BEBDHN CC(C)(F)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000602727396 371834538 /nfs/dbraw/zinc/83/45/38/371834538.db2.gz QGRYDMNYLRDGGF-UHFFFAOYSA-N 0 3 240.278 2.475 20 5 BEBDHN Cc1ccc([N+](=O)[O-])c(N[C@H](C)CN(C)C)c1 ZINC000126384227 383926547 /nfs/dbraw/zinc/92/65/47/383926547.db2.gz CHXOKXIRIQWRFY-SNVBAGLBSA-N 0 3 237.303 2.265 20 5 BEBDHN CN(C)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000039042608 384168574 /nfs/dbraw/zinc/16/85/74/384168574.db2.gz LDVDBIXYFBCDGC-UHFFFAOYSA-N 0 3 243.694 2.222 20 5 BEBDHN COC(C)(C)CNCc1ccc([N+](=O)[O-])cc1 ZINC000135230042 384187896 /nfs/dbraw/zinc/18/78/96/384187896.db2.gz JECRSVXYYHYCGM-UHFFFAOYSA-N 0 3 238.287 2.109 20 5 BEBDHN C[C@H](CCO)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000098005654 384456347 /nfs/dbraw/zinc/45/63/47/384456347.db2.gz MZPQHGRQDJKGOM-NXEZZACHSA-N 0 3 238.287 2.016 20 5 BEBDHN O=[N+]([O-])c1cc(CNCCCCF)cs1 ZINC000336665112 384752895 /nfs/dbraw/zinc/75/28/95/384752895.db2.gz DBQDVAAOCBRCDK-UHFFFAOYSA-N 0 3 232.280 2.496 20 5 BEBDHN CS[C@H](C)CNCc1csc([N+](=O)[O-])c1 ZINC000128149627 385253082 /nfs/dbraw/zinc/25/30/82/385253082.db2.gz WNYYQNSZQOJANB-SSDOTTSWSA-N 0 3 246.357 2.497 20 5 BEBDHN Cc1cc([N+](=O)[O-])ccc1NCC1(N(C)C)CC1 ZINC000397985333 385731301 /nfs/dbraw/zinc/73/13/01/385731301.db2.gz UFIFLBXHDDUKKR-UHFFFAOYSA-N 0 3 249.314 2.409 20 5 BEBDHN O=[N+]([O-])c1ccc(CN[C@@H]2C[C@@H]2C(F)F)cc1 ZINC000342213439 385874516 /nfs/dbraw/zinc/87/45/16/385874516.db2.gz NZYQVMTYISWJHO-VHSXEESVSA-N 0 3 242.225 2.338 20 5 BEBDHN O=[N+]([O-])c1cccc(CN[C@H]2C[C@H]2C(F)F)c1 ZINC000342245842 385876266 /nfs/dbraw/zinc/87/62/66/385876266.db2.gz ZJIFQWSHISICOB-ZJUUUORDSA-N 0 3 242.225 2.338 20 5 BEBDHN C[C@@H](O)CCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000085983479 386696799 /nfs/dbraw/zinc/69/67/99/386696799.db2.gz PVCVJONDNOHIJM-NXEZZACHSA-N 0 3 238.287 2.016 20 5 BEBDHN C[C@@H](O)CCN[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000085980782 386697308 /nfs/dbraw/zinc/69/73/08/386697308.db2.gz GFADSHQUCMRXDU-NXEZZACHSA-N 0 3 238.287 2.016 20 5 BEBDHN CCOC[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000044689968 386727611 /nfs/dbraw/zinc/72/76/11/386727611.db2.gz GIGQARQBSSYPTN-JTQLQIEISA-N 0 3 238.287 2.109 20 5 BEBDHN Cc1cccc([N+](=O)[O-])c1N[C@H](C)CN(C)C ZINC000168960881 387374766 /nfs/dbraw/zinc/37/47/66/387374766.db2.gz ZGPAGFVUJHKWSX-SNVBAGLBSA-N 0 3 237.303 2.265 20 5 BEBDHN CO[C@H](C)CNCc1ccc([N+](=O)[O-])cc1C ZINC000191139417 387348353 /nfs/dbraw/zinc/34/83/53/387348353.db2.gz LDBWWXPCURHJMY-SNVBAGLBSA-N 0 3 238.287 2.028 20 5 BEBDHN CO[C@@H](C)[C@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000163251368 388373629 /nfs/dbraw/zinc/37/36/29/388373629.db2.gz WSCCFEFJXKNLBW-UWVGGRQHSA-N 0 3 238.287 2.108 20 5 BEBDHN CSC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1 ZINC000076769597 388444056 /nfs/dbraw/zinc/44/40/56/388444056.db2.gz VXXUBROSCVZMSU-SECBINFHSA-N 0 3 240.328 2.436 20 5 BEBDHN CO[C@@H](C)CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000272852585 388433481 /nfs/dbraw/zinc/43/34/81/388433481.db2.gz VVHNUVDJHBCRLQ-JTQLQIEISA-N 0 3 238.287 2.062 20 5 BEBDHN C[C@@H](O)[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000348314970 388435380 /nfs/dbraw/zinc/43/53/80/388435380.db2.gz BNZJVLFTQMACJT-KXUCPTDWSA-N 0 3 238.287 2.015 20 5 BEBDHN C[C@H](NCc1cnc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000054765050 388584658 /nfs/dbraw/zinc/58/46/58/388584658.db2.gz NMWFLACWFOKWGT-VIFPVBQESA-N 0 3 246.270 2.169 20 5 BEBDHN C[C@H](CF)N[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449329512 388748651 /nfs/dbraw/zinc/74/86/51/388748651.db2.gz IHJLONUJOXFSPP-VHSXEESVSA-N 0 3 240.278 2.473 20 5 BEBDHN Cc1ccc(CN2CCCC2)cc1[N+](=O)[O-] ZINC000127931668 388733881 /nfs/dbraw/zinc/73/38/81/388733881.db2.gz LXSSQSCSALWHGA-UHFFFAOYSA-N 0 3 220.272 2.499 20 5 BEBDHN CC[C@H](COC)NCc1cccc([N+](=O)[O-])c1 ZINC000079713494 135355173 /nfs/dbraw/zinc/35/51/73/135355173.db2.gz PTCHBGPXMNRING-LLVKDONJSA-N 0 3 238.287 2.109 20 5 BEBDHN COCC[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000050015651 174383942 /nfs/dbraw/zinc/38/39/42/174383942.db2.gz FSPJNXPNZSZPAY-SNVBAGLBSA-N 0 3 238.287 2.109 20 5 BEBDHN CC(COC(=O)c1ccsc1Cl)[N+](=O)[O-] ZINC000853127880 588721895 /nfs/dbraw/zinc/72/18/95/588721895.db2.gz WAYFDOBGRQPQIH-YFKPBYRVSA-N 0 3 249.675 2.224 20 5 BEBDHN C/C(=C\C(C)(C)C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813104616 582580891 /nfs/dbraw/zinc/58/08/91/582580891.db2.gz FKPYAWCOOQZOSF-BNICOGTQSA-N 0 3 229.276 2.187 20 5 BEBDHN CC(COC(=O)C[C@H]1CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813106245 582581566 /nfs/dbraw/zinc/58/15/66/582581566.db2.gz BFJDZXRXUGUSMG-UTLUCORTSA-N 0 3 229.276 2.021 20 5 BEBDHN CCCCS[C@@H](C)C(=O)OCC(C)[N+](=O)[O-] ZINC000813106236 582581721 /nfs/dbraw/zinc/58/17/21/582581721.db2.gz BEYPOTIPZOGRID-BDAKNGLRSA-N 0 3 249.332 2.117 20 5 BEBDHN CC[C@@H](CC(=O)OCC(C)[N+](=O)[O-])C(C)C ZINC000813108269 582586516 /nfs/dbraw/zinc/58/65/16/582586516.db2.gz XBWWUVJWXWEGPW-UWVGGRQHSA-N 0 3 231.292 2.267 20 5 BEBDHN CC[C@@H]1CCCC[C@H]1C(=O)OCC(C)[N+](=O)[O-] ZINC000813110733 582588511 /nfs/dbraw/zinc/58/85/11/582588511.db2.gz IHKVBMLUOWTVCJ-HBNTYKKESA-N 0 3 243.303 2.411 20 5 BEBDHN CC(COC(=O)[C@@H]1CCCC(C)(C)C1)[N+](=O)[O-] ZINC000813115374 582592133 /nfs/dbraw/zinc/59/21/33/582592133.db2.gz QIABZMZBALVLNZ-NXEZZACHSA-N 0 3 243.303 2.411 20 5 BEBDHN CC(C)[C@H](CNCC[N+](=O)[O-])c1ccccc1 ZINC000899872154 584244228 /nfs/dbraw/zinc/24/42/28/584244228.db2.gz YCDUKISXJRFQON-ZDUSSCGKSA-N 0 3 236.315 2.293 20 5 BEBDHN CC(C)(CCNCC[N+](=O)[O-])c1ccccc1 ZINC000899873597 584245529 /nfs/dbraw/zinc/24/55/29/584245529.db2.gz SURHUMBHDSHSJZ-UHFFFAOYSA-N 0 3 236.315 2.221 20 5 BEBDHN O=[N+]([O-])c1cccc(OCCN2CC[C@H]3C[C@H]32)c1 ZINC000761095423 585408646 /nfs/dbraw/zinc/40/86/46/585408646.db2.gz OYRKNLDTQWBZOS-GXFFZTMASA-N 0 3 248.282 2.068 20 5 BEBDHN CC[C@H](Cc1ccccc1)N(C)CC[N+](=O)[O-] ZINC000791051341 585972860 /nfs/dbraw/zinc/97/28/60/585972860.db2.gz BFGVFANRHBGJHU-CYBMUJFWSA-N 0 3 236.315 2.216 20 5 BEBDHN Cc1ccccc1[C@@H]1C[C@@H](C)N(CC[N+](=O)[O-])C1 ZINC000791054148 585973456 /nfs/dbraw/zinc/97/34/56/585973456.db2.gz XZPMCYOGZQNPIN-CHWSQXEVSA-N 0 3 248.326 2.450 20 5 BEBDHN CC(C)C[C@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813102146 586591905 /nfs/dbraw/zinc/59/19/05/586591905.db2.gz OGMCVVKGZVBXSC-UWVGGRQHSA-N 0 3 231.292 2.267 20 5 BEBDHN CCC(CC)(CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000813101791 586592107 /nfs/dbraw/zinc/59/21/07/586592107.db2.gz ITVNSMVRQYGJCJ-VIFPVBQESA-N 0 3 231.292 2.411 20 5 BEBDHN CC(COC(=O)CC1(C)CCCC1)[N+](=O)[O-] ZINC000813104884 586592528 /nfs/dbraw/zinc/59/25/28/586592528.db2.gz SOPBUDQNQKMMDP-VIFPVBQESA-N 0 3 229.276 2.165 20 5 BEBDHN CCC[C@@H](C)CC(=O)OCC(C)[N+](=O)[O-] ZINC000813112343 586593720 /nfs/dbraw/zinc/59/37/20/586593720.db2.gz FRYDRWRVLQOSAW-RKDXNWHRSA-N 0 3 217.265 2.021 20 5 BEBDHN CC(COC(=O)[C@@]1(C)CCC[C@H]1C)[N+](=O)[O-] ZINC000835455082 587802965 /nfs/dbraw/zinc/80/29/65/587802965.db2.gz MJSFZRBULZKESO-KKZNHRDASA-N 0 3 229.276 2.021 20 5 BEBDHN CC(COC(=O)C1=CCC(C)(C)CC1)[N+](=O)[O-] ZINC000835456166 587803254 /nfs/dbraw/zinc/80/32/54/587803254.db2.gz SCCWGZDDYLXLDF-SECBINFHSA-N 0 3 241.287 2.331 20 5 BEBDHN CC(COC(=O)[C@H]1CCCC2(CC2)C1)[N+](=O)[O-] ZINC000851036546 588585716 /nfs/dbraw/zinc/58/57/16/588585716.db2.gz KGFGTRFKAWODLD-UWVGGRQHSA-N 0 3 241.287 2.165 20 5 BEBDHN CCC[C@@H](CC)C(=O)OCC(C)[N+](=O)[O-] ZINC000873532868 590054753 /nfs/dbraw/zinc/05/47/53/590054753.db2.gz ORMZFLNLPQXFAC-DTWKUNHWSA-N 0 3 217.265 2.021 20 5 BEBDHN CC(C)[C@@H]1CCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886038279 592137791 /nfs/dbraw/zinc/13/77/91/592137791.db2.gz SLXPVVFBNYAFMU-LLVKDONJSA-N 0 3 249.314 2.468 20 5 BEBDHN CN(CCCF)CCc1ccc([N+](=O)[O-])cc1 ZINC000887138972 592453096 /nfs/dbraw/zinc/45/30/96/592453096.db2.gz UBYHQYFMRZGXHA-UHFFFAOYSA-N 0 3 240.278 2.429 20 5 BEBDHN Cc1ccc([C@@H]2CCN(CC[N+](=O)[O-])C2)c(C)c1 ZINC000930274598 639679680 /nfs/dbraw/zinc/67/96/80/639679680.db2.gz VSEBERUYWGBNCK-CYBMUJFWSA-N 0 3 248.326 2.369 20 5 BEBDHN C[C@@H]1C[C@@H](c2ccccc2)N(CC[N+](=O)[O-])C1 ZINC000930473736 639773597 /nfs/dbraw/zinc/77/35/97/639773597.db2.gz BJEPBBBEDNCFJF-YPMHNXCESA-N 0 3 234.299 2.346 20 5 BEBDHN CCOCCNCc1cccc([N+](=O)[O-])c1C ZINC000036229543 640422766 /nfs/dbraw/zinc/42/27/66/640422766.db2.gz IRFNTNATCHUNLZ-UHFFFAOYSA-N 0 3 238.287 2.029 20 5 BEBDHN O=[N+]([O-])c1ncccc1CN1CC[C@@H]2CCC[C@@H]21 ZINC000934335694 641126780 /nfs/dbraw/zinc/12/67/80/641126780.db2.gz HDWBJNWXXWTAOG-JQWIXIFHSA-N 0 3 247.298 2.364 20 5 BEBDHN O=[N+]([O-])CCN1CCC[C@@H](Cc2ccccc2)C1 ZINC000929588760 646187685 /nfs/dbraw/zinc/18/76/85/646187685.db2.gz YORZKJRIIDBBFW-AWEZNQCLSA-N 0 3 248.326 2.218 20 5 BEBDHN Cc1ccccc1C[C@@H]1CCCN1CC[N+](=O)[O-] ZINC000929647770 646218523 /nfs/dbraw/zinc/21/85/23/646218523.db2.gz BLENQWQXJNNTMD-AWEZNQCLSA-N 0 3 248.326 2.279 20 5 BEBDHN C[C@H]1C[C@@H](c2ccccc2)CN1CC[N+](=O)[O-] ZINC000929653458 646222689 /nfs/dbraw/zinc/22/26/89/646222689.db2.gz BXSZJBYLAMOBFE-WCQYABFASA-N 0 3 234.299 2.141 20 5 BEBDHN C[C@H]1[C@H](c2ccccc2)CCN1CC[N+](=O)[O-] ZINC000929811635 646331460 /nfs/dbraw/zinc/33/14/60/646331460.db2.gz BZCJMWFANPCFAN-WCQYABFASA-N 0 3 234.299 2.141 20 5 BEBDHN O=[N+]([O-])CCN[C@@H](c1ccccc1)C1CCC1 ZINC000929965953 646378284 /nfs/dbraw/zinc/37/82/84/646378284.db2.gz TWLAUMNMBXBGPE-ZDUSSCGKSA-N 0 3 234.299 2.394 20 5 BEBDHN O=[N+]([O-])CCN[C@H](c1ccccc1)C1CCC1 ZINC000929965952 646379789 /nfs/dbraw/zinc/37/97/89/646379789.db2.gz TWLAUMNMBXBGPE-CYBMUJFWSA-N 0 3 234.299 2.394 20 5 BEBDHN C[C@@]1(NCC[N+](=O)[O-])CCCc2ccccc21 ZINC000929970923 646382773 /nfs/dbraw/zinc/38/27/73/646382773.db2.gz JMQGMUFONPUCJM-CYBMUJFWSA-N 0 3 234.299 2.104 20 5 BEBDHN