smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cccnc1N[C@H]1CC12CCC2 ZINC000721230260 712899612 /nfs/dbraw/zinc/89/96/12/712899612.db2.gz KILGZAAQJHAOHF-VIFPVBQESA-N 0 0 219.244 2.344 20 5 BEBDRN CC1(C)C[C@@]1(C)CNc1ncc([N+](=O)[O-])cn1 ZINC000702325864 712046890 /nfs/dbraw/zinc/04/68/90/712046890.db2.gz RZTWTARFZPGZNB-NSHDSACASA-N 0 0 236.275 2.233 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC[C@H]3C[C@H]32)cc1F ZINC000706764560 712154836 /nfs/dbraw/zinc/15/48/36/712154836.db2.gz KSAYFNNOQXSNIR-JOYOIKCWSA-N 0 0 236.246 2.328 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC[C@H]3C[C@H]32)c(F)c1 ZINC000707002791 712163391 /nfs/dbraw/zinc/16/33/91/712163391.db2.gz RSHNSCRYRNMJRH-QPUJVOFHSA-N 0 0 236.246 2.328 20 5 BEBDRN C[C@@H]1COC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000710837743 712257984 /nfs/dbraw/zinc/25/79/84/712257984.db2.gz PWZVCGSLVQZAFY-KCJUWKMLSA-N 0 0 222.244 2.042 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2C[C@@H]3CCCC[C@H]23)nc1 ZINC000712440372 712429907 /nfs/dbraw/zinc/42/99/07/712429907.db2.gz AZBMXTJNSJEIIQ-INTQDDNPSA-N 0 0 248.286 2.375 20 5 BEBDRN CCN1CC[C@@H]1CNc1ccsc1[N+](=O)[O-] ZINC000712592856 712435543 /nfs/dbraw/zinc/43/55/43/712435543.db2.gz AMUQQYKYGLTSSE-MRVPVSSYSA-N 0 0 241.316 2.162 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCCCC2CC2)nc1 ZINC000716395931 712558104 /nfs/dbraw/zinc/55/81/04/712558104.db2.gz AGQIOWLYFADFAK-UHFFFAOYSA-N 0 0 236.275 2.377 20 5 BEBDRN CC(C)[C@@H](C)CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000825997893 712592313 /nfs/dbraw/zinc/59/23/13/712592313.db2.gz SMRXJDINSAJMOS-JTQLQIEISA-N 0 0 244.335 2.230 20 5 BEBDRN COC(C)(C)[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000720138390 712827804 /nfs/dbraw/zinc/82/78/04/712827804.db2.gz IMFXKDIFALIFSI-MRVPVSSYSA-N 0 0 239.275 2.215 20 5 BEBDRN Cc1cc(NC[C@H]2C[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000720894767 712876513 /nfs/dbraw/zinc/87/65/13/712876513.db2.gz YKOZZIIUROYEPT-HOMQSWHASA-N 0 0 236.271 2.086 20 5 BEBDRN CCCNc1cccc(OC)c1[N+](=O)[O-] ZINC000087840817 961762931 /nfs/dbraw/zinc/76/29/31/961762931.db2.gz MYYNGTZJFONGPQ-UHFFFAOYSA-N 0 0 210.233 2.425 20 5 BEBDRN CCO[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001204944528 962120995 /nfs/dbraw/zinc/12/09/95/962120995.db2.gz AYRZHUOYGSIMLN-LLVKDONJSA-N 0 0 207.229 2.099 20 5 BEBDRN CC(C)[C@@H](C)Oc1cnccc1[N+](=O)[O-] ZINC001228879652 963902078 /nfs/dbraw/zinc/90/20/78/963902078.db2.gz JBSCDNWNYSLSIR-MRVPVSSYSA-N 0 0 210.233 2.413 20 5 BEBDRN CC(=O)COc1cc(Cl)c([N+](=O)[O-])cc1F ZINC001166775825 966402039 /nfs/dbraw/zinc/40/20/39/966402039.db2.gz LGMKHWIBDARIEE-UHFFFAOYSA-N 0 0 247.609 2.355 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cncnc2)cc1 ZINC000039186453 1165750186 /nfs/dbraw/zinc/75/01/86/1165750186.db2.gz TZDUIVMTDMCJPB-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN Nc1cc(C2CC2)nn1-c1cccc([N+](=O)[O-])c1 ZINC000213019291 1166152240 /nfs/dbraw/zinc/15/22/40/1166152240.db2.gz ZKCJHJWTVPJUPC-UHFFFAOYSA-N 0 0 244.254 2.240 20 5 BEBDRN Nc1cc(C2CC2)nn1-c1ccccc1[N+](=O)[O-] ZINC000213019215 1166152245 /nfs/dbraw/zinc/15/22/45/1166152245.db2.gz QZDZBPPMYGQNBP-UHFFFAOYSA-N 0 0 244.254 2.240 20 5 BEBDRN CC1(Nc2cc([N+](=O)[O-])ccn2)CCC1 ZINC000228887981 1166234021 /nfs/dbraw/zinc/23/40/21/1166234021.db2.gz YSPAAMBSADIKLP-UHFFFAOYSA-N 0 0 207.233 2.344 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC=C(Cl)Cl)nc1 ZINC000407152327 1166907645 /nfs/dbraw/zinc/90/76/45/1166907645.db2.gz PYBHSHGLDAEVKK-UHFFFAOYSA-N 0 0 248.069 2.143 20 5 BEBDRN CC[C@@H](C)Nc1cnc([N+](=O)[O-])c(OC)c1 ZINC001168000557 1167135303 /nfs/dbraw/zinc/13/53/03/1167135303.db2.gz QHTJTSOFGRWMCW-SSDOTTSWSA-N 0 0 225.248 2.209 20 5 BEBDRN O=C1CC(Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228257444 976021080 /nfs/dbraw/zinc/02/10/80/976021080.db2.gz IPVMHCOVUZZYIY-UHFFFAOYSA-N 0 0 241.630 2.359 20 5 BEBDRN Cc1nccc([N+](=O)[O-])c1O[C@H]1C=CCC1 ZINC001234901816 978928015 /nfs/dbraw/zinc/92/80/15/978928015.db2.gz SBEMVQZOYWVDLY-VIFPVBQESA-N 0 0 220.228 2.396 20 5 BEBDRN O=[N+]([O-])c1sccc1OCCC1(O)CCC1 ZINC001189369877 980776105 /nfs/dbraw/zinc/77/61/05/980776105.db2.gz ICTDUGOHPSWWJT-UHFFFAOYSA-N 0 0 243.284 2.340 20 5 BEBDRN Cc1cnn(Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000871733967 1168912238 /nfs/dbraw/zinc/91/22/38/1168912238.db2.gz UZOVMLMWIIGNLX-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN C[C@H](CO)CO[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001205963511 983911118 /nfs/dbraw/zinc/91/11/18/983911118.db2.gz NFOJDNQEMFBYNS-ZJUUUORDSA-N 0 0 239.271 2.301 20 5 BEBDRN CO[C@H](C)COc1c(F)c(F)ccc1[N+](=O)[O-] ZINC001225958862 974744072 /nfs/dbraw/zinc/74/40/72/974744072.db2.gz GYLLTLPYLSTGMZ-ZCFIWIBFSA-N 0 0 247.197 2.287 20 5 BEBDRN C[C@@H]1C[C@@H]1c1nnc(-c2cccc([N+](=O)[O-])n2)o1 ZINC001256718018 1169288087 /nfs/dbraw/zinc/28/80/87/1169288087.db2.gz OAWWEOGLJSPDJE-RQJHMYQMSA-N 0 0 246.226 2.163 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001123234788 1169336076 /nfs/dbraw/zinc/33/60/76/1169336076.db2.gz CICWVMGEYZJDRD-GARJFASQSA-N 0 0 241.287 2.023 20 5 BEBDRN Cc1cnc(COC2CC2)c(C)c1[N+](=O)[O-] ZINC001224186026 973479831 /nfs/dbraw/zinc/47/98/31/973479831.db2.gz WOIVWCRHWJAXRB-UHFFFAOYSA-N 0 0 222.244 2.286 20 5 BEBDRN Cc1cc(OC[C@@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000402313294 970782364 /nfs/dbraw/zinc/78/23/64/970782364.db2.gz QBDJNHPGFRSWHJ-GFCCVEGCSA-N 0 0 237.255 2.053 20 5 BEBDRN N#CNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001157822036 970827593 /nfs/dbraw/zinc/82/75/93/970827593.db2.gz DNNLOVDYYDUCBX-UHFFFAOYSA-N 0 0 214.184 2.036 20 5 BEBDRN C[C@H]1C[C@@H]1c1nnc(-c2cc([N+](=O)[O-])ccn2)o1 ZINC001256616812 970882250 /nfs/dbraw/zinc/88/22/50/970882250.db2.gz JLCGZCAHQKIFRH-XPUUQOCRSA-N 0 0 246.226 2.163 20 5 BEBDRN C[C@@H]1C[C@@H]1c1nnc(-c2ncccc2[N+](=O)[O-])o1 ZINC001256716947 970934895 /nfs/dbraw/zinc/93/48/95/970934895.db2.gz FMZFIXRWQYYTKF-RQJHMYQMSA-N 0 0 246.226 2.163 20 5 BEBDRN CCC(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001130758657 971061792 /nfs/dbraw/zinc/06/17/92/971061792.db2.gz IRHYVCNKEPCFLR-UHFFFAOYSA-N 0 0 245.238 2.492 20 5 BEBDRN C[C@H](O[C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC001217899157 971505208 /nfs/dbraw/zinc/50/52/08/971505208.db2.gz ADAIUYBPJHNQCK-UWJYBYFXSA-N 0 0 237.255 2.196 20 5 BEBDRN Cc1ccc(C)c([N+](=O)[O-])c1OC1CC(O)C1 ZINC001218259398 971652799 /nfs/dbraw/zinc/65/27/99/971652799.db2.gz ZNJBZOMZRNPEMM-UHFFFAOYSA-N 0 0 237.255 2.114 20 5 BEBDRN O=[N+]([O-])c1c(Cl)cccc1OC1CC(O)C1 ZINC001218258498 971661061 /nfs/dbraw/zinc/66/10/61/971661061.db2.gz HOSJCMMSHQJRJG-UHFFFAOYSA-N 0 0 243.646 2.150 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2C[C@H](O)C2)c(Cl)c1 ZINC001218360777 971738449 /nfs/dbraw/zinc/73/84/49/971738449.db2.gz SCLKWDNWVVVBJC-ZKCHVHJHSA-N 0 0 243.646 2.150 20 5 BEBDRN Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1C[C@H](O)C1 ZINC001218362573 971745820 /nfs/dbraw/zinc/74/58/20/971745820.db2.gz ORXDLEAAHDZVGV-MGCOHNPYSA-N 0 0 237.255 2.114 20 5 BEBDRN CC(=O)[C@@H](C)Oc1ccc(F)c([N+](=O)[O-])c1 ZINC001225381470 974457298 /nfs/dbraw/zinc/45/72/98/974457298.db2.gz FWEQOGNHKHLNPP-SSDOTTSWSA-N 0 0 227.191 2.090 20 5 BEBDRN Cc1cc(O[C@H]2C[C@@H](O)C2)cc([N+](=O)[O-])c1C ZINC001218421692 971794108 /nfs/dbraw/zinc/79/41/08/971794108.db2.gz AIUKVLWFZYUJKB-JGZJWPJOSA-N 0 0 237.255 2.114 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC[C@H]1C[C@H](O)C1 ZINC001218425969 971802696 /nfs/dbraw/zinc/80/26/96/971802696.db2.gz MOBZLVFBPLUYPK-HOMQSWHASA-N 0 0 237.255 2.053 20 5 BEBDRN Cc1ccc(OC[C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC001218426623 971805750 /nfs/dbraw/zinc/80/57/50/971805750.db2.gz XUSDWQTXYIPMJD-MGCOHNPYSA-N 0 0 237.255 2.053 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2CC(F)(F)C2)nc1 ZINC001225630598 974606854 /nfs/dbraw/zinc/60/68/54/974606854.db2.gz DOOQBVNITZJLKC-UHFFFAOYSA-N 0 0 230.170 2.166 20 5 BEBDRN COc1ncc(Nc2cccc([N+](=O)[O-])c2)cn1 ZINC001204415706 956903607 /nfs/dbraw/zinc/90/36/07/956903607.db2.gz MPBUTOJPIAODSV-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1cccc(C)c1 ZINC001345693793 957327369 /nfs/dbraw/zinc/32/73/69/957327369.db2.gz KKKIKZSCTNIMTG-LLVKDONJSA-N 0 0 237.255 2.207 20 5 BEBDRN COc1ncc(Nc2ccccn2)cc1[N+](=O)[O-] ZINC001210135847 957646993 /nfs/dbraw/zinc/64/69/93/957646993.db2.gz ZVJVUXDZEBZBAQ-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2ncccn2)c1F ZINC001210378718 957735287 /nfs/dbraw/zinc/73/52/87/957735287.db2.gz NWELHXZUYBKESU-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=C1CC(Nc2cc([N+](=O)[O-])cc3cc[nH]c32)C1 ZINC001167340891 957798436 /nfs/dbraw/zinc/79/84/36/957798436.db2.gz LFVFKSLCVLXNLS-UHFFFAOYSA-N 0 0 245.238 2.220 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2cnns2)ccc1F ZINC001211191400 958056918 /nfs/dbraw/zinc/05/69/18/958056918.db2.gz VFPBWIXNRBKMSK-UHFFFAOYSA-N 0 0 240.219 2.329 20 5 BEBDRN Cc1nnc([C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC001326998422 972359744 /nfs/dbraw/zinc/35/97/44/972359744.db2.gz ANNJRGNWBWDRCR-SSDOTTSWSA-N 0 0 233.227 2.438 20 5 BEBDRN CC(C)Cc1nnc(CCC(C)(C)[N+](=O)[O-])o1 ZINC001327028402 972371459 /nfs/dbraw/zinc/37/14/59/972371459.db2.gz SBVRXOZIBHJBCW-UHFFFAOYSA-N 0 0 241.291 2.256 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C[C@H](C)C1CC1 ZINC001349805197 958834164 /nfs/dbraw/zinc/83/41/64/958834164.db2.gz GEEMIHRLHGFBCR-WPRPVWTQSA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@H](C)C1CC1 ZINC001349805196 958836157 /nfs/dbraw/zinc/83/61/57/958836157.db2.gz GEEMIHRLHGFBCR-WCBMZHEXSA-N 0 0 229.276 2.021 20 5 BEBDRN CC(=O)CNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001167630132 959133786 /nfs/dbraw/zinc/13/37/86/959133786.db2.gz DXVRXWIZXFRUBC-UHFFFAOYSA-N 0 0 245.238 2.144 20 5 BEBDRN C[C@@H](O[C@H]1C[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC001217899738 959731567 /nfs/dbraw/zinc/73/15/67/959731567.db2.gz LQHOWOKKARLZJX-GGZOMVNGSA-N 0 0 237.255 2.196 20 5 BEBDRN C[C@@H](O[C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC001217917557 959758216 /nfs/dbraw/zinc/75/82/16/959758216.db2.gz ADAIUYBPJHNQCK-FXAINCCUSA-N 0 0 237.255 2.196 20 5 BEBDRN C[C@H](OCc1ncon1)c1ccccc1[N+](=O)[O-] ZINC001222895193 960837732 /nfs/dbraw/zinc/83/77/32/960837732.db2.gz KPGQQNZDIXEYRE-QMMMGPOBSA-N 0 0 249.226 2.256 20 5 BEBDRN N=CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001167863985 961332465 /nfs/dbraw/zinc/33/24/65/961332465.db2.gz KDAFQMTUSGMQPX-UHFFFAOYSA-N 0 0 216.200 2.162 20 5 BEBDRN Cn1ccc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000082267062 961633279 /nfs/dbraw/zinc/63/32/79/961633279.db2.gz LMZKYMJKETWRPJ-UHFFFAOYSA-N 0 0 218.216 2.072 20 5 BEBDRN CC[C@@H](C)Oc1cc(C)c([N+](=O)[O-])cn1 ZINC001225662828 962577343 /nfs/dbraw/zinc/57/73/43/962577343.db2.gz OEOZUWYWBQEKMT-MRVPVSSYSA-N 0 0 210.233 2.476 20 5 BEBDRN C[C@H]1COC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000688023029 962793688 /nfs/dbraw/zinc/79/36/88/962793688.db2.gz GVHHLBONFFYFAM-OIBJUYFYSA-N 0 0 240.234 2.181 20 5 BEBDRN C[C@H](Oc1ccnn1C)c1ccccc1[N+](=O)[O-] ZINC001226399062 963182683 /nfs/dbraw/zinc/18/26/83/963182683.db2.gz WGDVMYYAEIJFIH-VIFPVBQESA-N 0 0 247.254 2.468 20 5 BEBDRN CC[C@H](C)Nc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001167998088 963202539 /nfs/dbraw/zinc/20/25/39/963202539.db2.gz AIWBFROGNFHWKT-QMMMGPOBSA-N 0 0 234.259 2.453 20 5 BEBDRN C[C@@H]1CN(c2cccc([N+](=O)[O-])n2)C2(CC2)C1 ZINC001156412759 963337278 /nfs/dbraw/zinc/33/72/78/963337278.db2.gz VDITVPRXWGMZQM-VIFPVBQESA-N 0 0 233.271 2.369 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(N2C[C@H](C)CC23CC3)n1 ZINC001156412660 963340737 /nfs/dbraw/zinc/34/07/37/963340737.db2.gz SFMNQCZJAPYNRZ-MRVPVSSYSA-N 0 0 248.286 2.072 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(N2C[C@@H](C)CC23CC3)n1 ZINC001156412661 963342186 /nfs/dbraw/zinc/34/21/86/963342186.db2.gz SFMNQCZJAPYNRZ-QMMMGPOBSA-N 0 0 248.286 2.072 20 5 BEBDRN CC(=O)CNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001156778785 963461089 /nfs/dbraw/zinc/46/10/89/963461089.db2.gz OSIIUIYBASRWOC-UHFFFAOYSA-N 0 0 245.238 2.144 20 5 BEBDRN CCCN(C)c1cc(Cl)ncc1[N+](=O)[O-] ZINC001156874760 963476864 /nfs/dbraw/zinc/47/68/64/963476864.db2.gz VIKYARBWLYOQFA-UHFFFAOYSA-N 0 0 229.667 2.489 20 5 BEBDRN N=CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC001157079220 963524776 /nfs/dbraw/zinc/52/47/76/963524776.db2.gz VKXDKENWZIQKNT-UHFFFAOYSA-N 0 0 216.200 2.162 20 5 BEBDRN O=[N+]([O-])c1ccc2[nH]c(OC3CC3)nc2c1 ZINC001227744308 963558383 /nfs/dbraw/zinc/55/83/83/963558383.db2.gz GDFGUNHRVZMYGT-UHFFFAOYSA-N 0 0 219.200 2.012 20 5 BEBDRN CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001157363020 963585776 /nfs/dbraw/zinc/58/57/76/963585776.db2.gz NQRSAEKUUISISW-UHFFFAOYSA-N 0 0 232.243 2.360 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1cccc(Cl)n1)C1CC1 ZINC001227928045 963628449 /nfs/dbraw/zinc/62/84/49/963628449.db2.gz ROOKVMVTBSWHHR-MRVPVSSYSA-N 0 0 242.662 2.169 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCCc2cc[nH]n2)c1 ZINC000714541228 964052095 /nfs/dbraw/zinc/05/20/95/964052095.db2.gz UEJNSAXBGFYYFA-UHFFFAOYSA-N 0 0 246.270 2.281 20 5 BEBDRN C/C=C\C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001159513380 964120359 /nfs/dbraw/zinc/12/03/59/964120359.db2.gz RMGSXILYKNNOCQ-ARJAWSKDSA-N 0 0 220.228 2.418 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1N1CC[C@H](F)C1 ZINC000689900060 964313821 /nfs/dbraw/zinc/31/38/21/964313821.db2.gz HDCIOERVCQLUEH-ZETCQYMHSA-N 0 0 228.198 2.282 20 5 BEBDRN C=C/C=C/CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001160696190 964396552 /nfs/dbraw/zinc/39/65/52/964396552.db2.gz IFJBLZJPILGGLF-ONEGZZNKSA-N 0 0 247.254 2.248 20 5 BEBDRN C=C/C=C\CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001160696189 964396829 /nfs/dbraw/zinc/39/68/29/964396829.db2.gz IFJBLZJPILGGLF-ARJAWSKDSA-N 0 0 247.254 2.248 20 5 BEBDRN CC(C)(C)CO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001204886480 964470124 /nfs/dbraw/zinc/47/01/24/964470124.db2.gz JRILRGPWXNEVOR-VIFPVBQESA-N 0 0 201.266 2.104 20 5 BEBDRN CCC1(Nc2ncc([N+](=O)[O-])c(C)n2)CCC1 ZINC001161561678 964640983 /nfs/dbraw/zinc/64/09/83/964640983.db2.gz REEXMFRDABAVOD-UHFFFAOYSA-N 0 0 236.275 2.438 20 5 BEBDRN COc1cnc(NCC(C)(C)C)cc1[N+](=O)[O-] ZINC001161635022 964653242 /nfs/dbraw/zinc/65/32/42/964653242.db2.gz UAFJMRYDSJNKNQ-UHFFFAOYSA-N 0 0 239.275 2.456 20 5 BEBDRN CC(C)CNc1cccc2ncc([N+](=O)[O-])n21 ZINC001161653070 964667396 /nfs/dbraw/zinc/66/73/96/964667396.db2.gz QPONPAFXGVNFSL-UHFFFAOYSA-N 0 0 234.259 2.310 20 5 BEBDRN CC(C)(C)OC(=O)c1ccc(N)cc1[N+](=O)[O-] ZINC001161698558 964684187 /nfs/dbraw/zinc/68/41/87/964684187.db2.gz QHLNSAYERZUICX-UHFFFAOYSA-N 0 0 238.243 2.132 20 5 BEBDRN Nc1cc(N[C@@H]2CC=CCC2)ncc1[N+](=O)[O-] ZINC001161752774 964735698 /nfs/dbraw/zinc/73/56/98/964735698.db2.gz SMZJGXNNCCTDGU-MRVPVSSYSA-N 0 0 234.259 2.093 20 5 BEBDRN O=[N+]([O-])c1sccc1Oc1cccc[n+]1[O-] ZINC001161935862 964824108 /nfs/dbraw/zinc/82/41/08/964824108.db2.gz KTQJCOHJFMRZIR-UHFFFAOYSA-N 0 0 238.224 2.082 20 5 BEBDRN O=[N+]([O-])c1cc2cc[nH]c2c(NCC2COC2)c1 ZINC001161948998 964833575 /nfs/dbraw/zinc/83/35/75/964833575.db2.gz DBUJUBXRWSMLPG-UHFFFAOYSA-N 0 0 247.254 2.134 20 5 BEBDRN CC(C)(C)C(=N)Nc1ccc([N+](=O)[O-])cn1 ZINC001162656200 965092810 /nfs/dbraw/zinc/09/28/10/965092810.db2.gz RJTUYAVJKHXAAM-UHFFFAOYSA-N 0 0 222.248 2.425 20 5 BEBDRN Cc1nc(N[C@@H](C)c2ccno2)ccc1[N+](=O)[O-] ZINC001163207427 965298873 /nfs/dbraw/zinc/29/88/73/965298873.db2.gz MTHFKHHHZIGTDQ-QMMMGPOBSA-N 0 0 248.242 2.459 20 5 BEBDRN C=C=CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001163397342 965392614 /nfs/dbraw/zinc/39/26/14/965392614.db2.gz NALXVBKOTQTZKA-UHFFFAOYSA-N 0 0 230.227 2.224 20 5 BEBDRN CC[C@@H](F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001120820851 965419544 /nfs/dbraw/zinc/41/95/44/965419544.db2.gz AAMDVYVZHWVSLR-SSDOTTSWSA-N 0 0 244.197 2.421 20 5 BEBDRN CN(C)c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001163573096 965458257 /nfs/dbraw/zinc/45/82/57/965458257.db2.gz XZZVLRZOUAXURH-UHFFFAOYSA-N 0 0 244.254 2.118 20 5 BEBDRN CCN(C)c1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001163582636 965461993 /nfs/dbraw/zinc/46/19/93/965461993.db2.gz DBNVOBKMYWOIKS-UHFFFAOYSA-N 0 0 229.667 2.408 20 5 BEBDRN CCCN(CC)c1ncc(F)cc1[N+](=O)[O-] ZINC001163601993 965475259 /nfs/dbraw/zinc/47/52/59/965475259.db2.gz LZILPIKAGMAXTE-UHFFFAOYSA-N 0 0 227.239 2.365 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cc(N2CCCCO2)n1 ZINC001163927976 965640708 /nfs/dbraw/zinc/64/07/08/965640708.db2.gz YSGHHEAEGPGHKT-UHFFFAOYSA-N 0 0 243.650 2.175 20 5 BEBDRN O=C(COc1cccc([N+](=O)[O-])c1)c1ccoc1 ZINC001164579197 965922979 /nfs/dbraw/zinc/92/29/79/965922979.db2.gz MPXGTIFKIXXVJB-UHFFFAOYSA-N 0 0 247.206 2.450 20 5 BEBDRN CCc1ncc(COc2cccnc2[N+](=O)[O-])o1 ZINC000915871698 966115108 /nfs/dbraw/zinc/11/51/08/966115108.db2.gz SWDCQHVNLRFPIN-UHFFFAOYSA-N 0 0 249.226 2.119 20 5 BEBDRN O=[N+]([O-])c1ccc(COc2cncnc2)c(F)c1 ZINC001166939354 966459411 /nfs/dbraw/zinc/45/94/11/966459411.db2.gz YTAXNUCJLIJQLI-UHFFFAOYSA-N 0 0 249.201 2.103 20 5 BEBDRN Cc1noc(Nc2ccc([N+](=O)[O-])nc2)c1C ZINC001203561480 966688606 /nfs/dbraw/zinc/68/86/06/966688606.db2.gz XZYYKJNLVALDPA-UHFFFAOYSA-N 0 0 234.215 2.338 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cnccc2F)cn1 ZINC001203569899 966693748 /nfs/dbraw/zinc/69/37/48/966693748.db2.gz NJBYURLLXPPHCJ-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])nc1)c1cccc(N)c1 ZINC001203581361 966694202 /nfs/dbraw/zinc/69/42/02/966694202.db2.gz ZHNZKQWJRJCTIS-UHFFFAOYSA-N 0 0 244.254 2.340 20 5 BEBDRN Cc1c[nH]c(=O)c(Nc2ccc([N+](=O)[O-])nc2)c1 ZINC001203566840 966696150 /nfs/dbraw/zinc/69/61/50/966696150.db2.gz RQDVNMPIWDQBOH-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN COc1cccnc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203566819 966696756 /nfs/dbraw/zinc/69/67/56/966696756.db2.gz RECBPOYAXWXDQT-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN COc1ccc(Nc2cccc([N+](=O)[O-])c2)nn1 ZINC001204407313 966990375 /nfs/dbraw/zinc/99/03/75/966990375.db2.gz NSXYITIVUVZBAA-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN Cc1cncc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC001204408187 966992799 /nfs/dbraw/zinc/99/27/99/966992799.db2.gz WOQUFWKZOSLAHI-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2cncc(O)c2)c1 ZINC001204414935 966997948 /nfs/dbraw/zinc/99/79/48/966997948.db2.gz FIHYYBJPJOCDIQ-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN N#CNc1cc2cccnc2c([N+](=O)[O-])c1 ZINC001168631277 967141790 /nfs/dbraw/zinc/14/17/90/967141790.db2.gz PAZLSNDOCJLCPK-UHFFFAOYSA-N 0 0 214.184 2.036 20 5 BEBDRN CN(C)c1ccc(NCC(F)F)c([N+](=O)[O-])c1 ZINC001161815896 967658431 /nfs/dbraw/zinc/65/84/31/967658431.db2.gz ROPRGCWZFYGQBR-UHFFFAOYSA-N 0 0 245.229 2.338 20 5 BEBDRN Cc1cnc(NCc2cccn2C)cc1[N+](=O)[O-] ZINC001162711280 967893374 /nfs/dbraw/zinc/89/33/74/967893374.db2.gz FIGJVEKLLVHELE-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN C[C@H](OCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC001206052531 968020873 /nfs/dbraw/zinc/02/08/73/968020873.db2.gz NOEIXCRRIQMSRA-VIFPVBQESA-N 0 0 239.271 2.443 20 5 BEBDRN Cc1nccc(Nc2ccccc2[N+](=O)[O-])n1 ZINC001206140065 968082727 /nfs/dbraw/zinc/08/27/27/968082727.db2.gz HURJQBLTFJVAEV-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN O=[N+]([O-])c1ccccc1Nc1cccnc1CO ZINC001206150318 968088134 /nfs/dbraw/zinc/08/81/34/968088134.db2.gz NITXFLHESKWAES-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN O=[N+]([O-])c1ccccc1Nc1cnoc1 ZINC001206144357 968088648 /nfs/dbraw/zinc/08/86/48/968088648.db2.gz IOJHOMXLHXXUOF-UHFFFAOYSA-N 0 0 205.173 2.326 20 5 BEBDRN Cc1cncnc1Nc1ccccc1[N+](=O)[O-] ZINC001206158294 968099866 /nfs/dbraw/zinc/09/98/66/968099866.db2.gz VLQCAIGMZNEJPJ-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN C[C@H](Oc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC001231182596 968540721 /nfs/dbraw/zinc/54/07/21/968540721.db2.gz NKUIHJFTVUDDIJ-VIFPVBQESA-N 0 0 247.254 2.468 20 5 BEBDRN C[C@H]1COC[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000829434694 968833322 /nfs/dbraw/zinc/83/33/22/968833322.db2.gz YVJARFGNXBYUOR-OIBJUYFYSA-N 0 0 240.234 2.181 20 5 BEBDRN CCc1ccc(-c2nnc(CC[N+](=O)[O-])o2)cc1 ZINC001252946423 969044952 /nfs/dbraw/zinc/04/49/52/969044952.db2.gz GEBUIVBTIRMYPS-UHFFFAOYSA-N 0 0 247.254 2.118 20 5 BEBDRN COc1ncc(Nc2ccco2)cc1[N+](=O)[O-] ZINC001210136060 969809939 /nfs/dbraw/zinc/80/99/39/969809939.db2.gz FWNSAWNAIQFNPD-UHFFFAOYSA-N 0 0 235.199 2.335 20 5 BEBDRN CCc1nnc(CCc2ccccc2[N+](=O)[O-])o1 ZINC001255056670 969867320 /nfs/dbraw/zinc/86/73/20/969867320.db2.gz JQASIRWCVSRAFR-UHFFFAOYSA-N 0 0 247.254 2.325 20 5 BEBDRN Cn1cnc(Nc2cccc([N+](=O)[O-])c2F)c1 ZINC001210378289 969880708 /nfs/dbraw/zinc/88/07/08/969880708.db2.gz FCJODUUIRCHCBG-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN Cc1nccc(Nc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC001210393251 969881911 /nfs/dbraw/zinc/88/19/11/969881911.db2.gz WMCOZXOMPJIUFG-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1conc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210392096 969882557 /nfs/dbraw/zinc/88/25/57/969882557.db2.gz AYQBRUZLUKULNW-UHFFFAOYSA-N 0 0 235.199 2.340 20 5 BEBDRN Nc1cccnc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210393788 969883268 /nfs/dbraw/zinc/88/32/68/969883268.db2.gz ZERVBJHWDRIEBQ-UHFFFAOYSA-N 0 0 246.226 2.021 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Nc1ccncn1 ZINC001210443740 969889344 /nfs/dbraw/zinc/88/93/44/969889344.db2.gz MHTQWTQUIGWXSU-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Nc1ccnnc1 ZINC001210444883 969889409 /nfs/dbraw/zinc/88/94/09/969889409.db2.gz MPDFGBUOMJYPRR-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN CCc1nnc(Cc2cc([N+](=O)[O-])ccc2C)o1 ZINC001255095836 969930913 /nfs/dbraw/zinc/93/09/13/969930913.db2.gz AIXOWWQHEAKZDS-UHFFFAOYSA-N 0 0 247.254 2.439 20 5 BEBDRN O=[N+]([O-])c1cccc(-c2nnc(C3CCC3)o2)n1 ZINC001255226295 970009064 /nfs/dbraw/zinc/00/90/64/970009064.db2.gz SRAWMUVVLXERMD-UHFFFAOYSA-N 0 0 246.226 2.307 20 5 BEBDRN O=c1cc[nH]cc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210955031 970089257 /nfs/dbraw/zinc/08/92/57/970089257.db2.gz CCWUDDWFZZOBPO-UHFFFAOYSA-N 0 0 249.201 2.166 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2ncco2)ccc1F ZINC001211189571 970169861 /nfs/dbraw/zinc/16/98/61/970169861.db2.gz YOACBNXFWHEMKZ-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN Cc1ccc([N-]c2nnco2)cc1[N+](=O)[O-] ZINC001213660265 970369880 /nfs/dbraw/zinc/36/98/80/970369880.db2.gz ZMPCREVCUOIJLB-UHFFFAOYSA-N 0 0 220.188 2.030 20 5 BEBDRN Cc1ccc(Nc2ccncn2)cc1[N+](=O)[O-] ZINC001213659803 970371398 /nfs/dbraw/zinc/37/13/98/970371398.db2.gz AOFMWYYOVFHRHX-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C(C)C ZINC000302272546 970427331 /nfs/dbraw/zinc/42/73/31/970427331.db2.gz AOMHHKSHAVLNGU-LLVKDONJSA-N 0 0 239.271 2.299 20 5 BEBDRN O=[N+]([O-])c1ccc(COC[C@@H]2CCCO2)cc1 ZINC001222791423 972698084 /nfs/dbraw/zinc/69/80/84/972698084.db2.gz QTIWRKPPRLBLBW-LBPRGKRZSA-N 0 0 237.255 2.290 20 5 BEBDRN CO[C@H](C)COCc1ccc(C)c([N+](=O)[O-])c1 ZINC001223223229 972891778 /nfs/dbraw/zinc/89/17/78/972891778.db2.gz BPBVJLVSACUVJN-SNVBAGLBSA-N 0 0 239.271 2.455 20 5 BEBDRN Cc1c(COC2CC(=O)C2)cccc1[N+](=O)[O-] ZINC001223330516 972958439 /nfs/dbraw/zinc/95/84/39/972958439.db2.gz SIVIDDCNBPDNJK-UHFFFAOYSA-N 0 0 235.239 2.151 20 5 BEBDRN Cc1c(CO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC001223330782 972959559 /nfs/dbraw/zinc/95/95/59/972959559.db2.gz BDUUOAPHJOIJMX-LLVKDONJSA-N 0 0 237.255 2.209 20 5 BEBDRN C[C@H](OCc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC001224110031 973451387 /nfs/dbraw/zinc/45/13/87/973451387.db2.gz ZEXBPVHKODGUBG-QMMMGPOBSA-N 0 0 222.244 2.305 20 5 BEBDRN CO[C@H](C)COCCc1ccc([N+](=O)[O-])cc1 ZINC001224331252 973557088 /nfs/dbraw/zinc/55/70/88/973557088.db2.gz NQUQRPAFMZNOBO-SNVBAGLBSA-N 0 0 239.271 2.189 20 5 BEBDRN Cc1nc(N[C@H](C)C2CCC2)ncc1[N+](=O)[O-] ZINC001330589747 974340310 /nfs/dbraw/zinc/34/03/10/974340310.db2.gz HHTLHPCOCJPFAX-SSDOTTSWSA-N 0 0 236.275 2.294 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[C@H](C)C1 ZINC001330860268 974505945 /nfs/dbraw/zinc/50/59/45/974505945.db2.gz FAVHGIAMIXJHAE-WCBMZHEXSA-N 0 0 235.287 2.321 20 5 BEBDRN CC(=O)c1ccccc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001225573323 974560494 /nfs/dbraw/zinc/56/04/94/974560494.db2.gz BAYXAXRRDOAMSM-ZDUSSCGKSA-N 0 0 249.266 2.323 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2C=CCCC2)nc1 ZINC001225629847 974604708 /nfs/dbraw/zinc/60/47/08/974604708.db2.gz CBMIXEPPWNEUJD-SNVBAGLBSA-N 0 0 220.228 2.477 20 5 BEBDRN Cc1cccc(OC2CCOCC2)c1[N+](=O)[O-] ZINC001225632690 974609093 /nfs/dbraw/zinc/60/90/93/974609093.db2.gz NLSJSWGLGSAUCI-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN C[C@@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])C1CCC1 ZINC001225665505 974634509 /nfs/dbraw/zinc/63/45/09/974634509.db2.gz BCQLRCSEKHSCPD-SSDOTTSWSA-N 0 0 238.243 2.263 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(F)cc1OC[C@H]1CCO1 ZINC001225780380 974680381 /nfs/dbraw/zinc/68/03/81/974680381.db2.gz ZUNHMUXZEUSLDF-ZCFIWIBFSA-N 0 0 245.181 2.041 20 5 BEBDRN O=[N+]([O-])c1cccc(OC[C@@H]2CCCO2)c1F ZINC001225794109 974684635 /nfs/dbraw/zinc/68/46/35/974684635.db2.gz ILTJRJZLMNDBTB-QMMMGPOBSA-N 0 0 241.218 2.292 20 5 BEBDRN CC(C)Oc1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC001225886542 974717904 /nfs/dbraw/zinc/71/79/04/974717904.db2.gz ATYHVEXTGBXKGM-UHFFFAOYSA-N 0 0 244.178 2.429 20 5 BEBDRN CCOC[C@H](C)Oc1nccc(C)c1[N+](=O)[O-] ZINC001226118462 974799091 /nfs/dbraw/zinc/79/90/91/974799091.db2.gz LCPPIWRMFQIEGN-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN CCO[C@@H](C)COc1nccc(C)c1[N+](=O)[O-] ZINC001226117982 974800173 /nfs/dbraw/zinc/80/01/73/974800173.db2.gz HEDFIRZCRSTRQF-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1ccc2c(c1)CCO2)C1CC1 ZINC001226363733 974869120 /nfs/dbraw/zinc/86/91/20/974869120.db2.gz WLQUJKFPWFSVBE-ZDUSSCGKSA-N 0 0 249.266 2.056 20 5 BEBDRN CC(C)[C@H](C)Oc1ccc([N+](=O)[O-])nc1 ZINC001226710812 975042439 /nfs/dbraw/zinc/04/24/39/975042439.db2.gz VSCQCADZWIMIND-QMMMGPOBSA-N 0 0 210.233 2.413 20 5 BEBDRN O=[N+]([O-])c1cnc(O[C@@H]2CC3CCC2CC3)nc1 ZINC001226733332 975051156 /nfs/dbraw/zinc/05/11/56/975051156.db2.gz MQXUDCKUOHEZMC-NWGYLPEXSA-N 0 0 249.270 2.342 20 5 BEBDRN O=[N+]([O-])c1cnc(O[C@@H]2CCCC[C@H]2F)nc1 ZINC001226734216 975052119 /nfs/dbraw/zinc/05/21/19/975052119.db2.gz VXWNTXYDIGUPPT-RKDXNWHRSA-N 0 0 241.222 2.044 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(O[C@@H]2CCOC2)c(F)c1 ZINC001226744372 975053978 /nfs/dbraw/zinc/05/39/78/975053978.db2.gz NZIMIAATBSJVQP-SSDOTTSWSA-N 0 0 245.181 2.041 20 5 BEBDRN CC[C@H](COC)Oc1ncc([N+](=O)[O-])cc1C ZINC001226761075 975061506 /nfs/dbraw/zinc/06/15/06/975061506.db2.gz FMPJXIZNFJQAFZ-SNVBAGLBSA-N 0 0 240.259 2.102 20 5 BEBDRN CO[C@@H](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001226763134 975063243 /nfs/dbraw/zinc/06/32/43/975063243.db2.gz KAKSREVXWZNKQC-VIFPVBQESA-N 0 0 225.244 2.399 20 5 BEBDRN CC[C@H](COC)Oc1cccc([N+](=O)[O-])c1 ZINC001226763224 975063414 /nfs/dbraw/zinc/06/34/14/975063414.db2.gz MMWTWMIAJWWGNJ-SNVBAGLBSA-N 0 0 225.244 2.399 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@H]2CCO2)c(Cl)c1 ZINC001226762345 975063942 /nfs/dbraw/zinc/06/39/42/975063942.db2.gz QXAHXWZSWLXDHW-MRVPVSSYSA-N 0 0 243.646 2.416 20 5 BEBDRN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(F)C1 ZINC001173230638 975077988 /nfs/dbraw/zinc/07/79/88/975077988.db2.gz ZGKZXHJQHRRLBZ-SECBINFHSA-N 0 0 238.262 2.180 20 5 BEBDRN CO[C@H](C)COc1cc(Cl)c([N+](=O)[O-])cn1 ZINC001226916662 975152358 /nfs/dbraw/zinc/15/23/58/975152358.db2.gz DNOZNPRAVMBSBK-ZCFIWIBFSA-N 0 0 246.650 2.057 20 5 BEBDRN Cc1ccc(OC2CC3(COC3)C2)cc1[N+](=O)[O-] ZINC001226951162 975180460 /nfs/dbraw/zinc/18/04/60/975180460.db2.gz UOYNYZQPZOBXRO-UHFFFAOYSA-N 0 0 249.266 2.461 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC1CC2(COC2)C1 ZINC001226993998 975212434 /nfs/dbraw/zinc/21/24/34/975212434.db2.gz BHLQNTSNDCQLJZ-UHFFFAOYSA-N 0 0 249.266 2.461 20 5 BEBDRN O=[N+]([O-])c1cccc2oc(OC3CC3)nc21 ZINC001227238182 975322177 /nfs/dbraw/zinc/32/21/77/975322177.db2.gz LOWWJXOWXPJRTP-UHFFFAOYSA-N 0 0 220.184 2.277 20 5 BEBDRN O=C1CCCC[C@@H]1Oc1ccccc1[N+](=O)[O-] ZINC001227484179 975467399 /nfs/dbraw/zinc/46/73/99/975467399.db2.gz KPEWYTVXGDPYMI-LBPRGKRZSA-N 0 0 235.239 2.485 20 5 BEBDRN CC(C)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001227519710 975503111 /nfs/dbraw/zinc/50/31/11/975503111.db2.gz CPEATNVBUSQWRR-UHFFFAOYSA-N 0 0 236.271 2.066 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2CCn3ccnc32)cc1 ZINC001227521888 975504220 /nfs/dbraw/zinc/50/42/20/975504220.db2.gz XSEQRHVBYOPKCF-LLVKDONJSA-N 0 0 245.238 2.315 20 5 BEBDRN CCOC[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC001227523926 975506652 /nfs/dbraw/zinc/50/66/52/975506652.db2.gz TXTBDGRLCLFNLT-SECBINFHSA-N 0 0 225.244 2.399 20 5 BEBDRN CC[C@@H](COC)Oc1ccc([N+](=O)[O-])cc1 ZINC001227523990 975510191 /nfs/dbraw/zinc/51/01/91/975510191.db2.gz VJVBYAJOWOILIE-JTQLQIEISA-N 0 0 225.244 2.399 20 5 BEBDRN CC[C@H](COC)Oc1ccc([N+](=O)[O-])cc1 ZINC001227523991 975513028 /nfs/dbraw/zinc/51/30/28/975513028.db2.gz VJVBYAJOWOILIE-SNVBAGLBSA-N 0 0 225.244 2.399 20 5 BEBDRN CCCOC[C@H](C)Oc1cncc([N+](=O)[O-])c1 ZINC001227986716 975834679 /nfs/dbraw/zinc/83/46/79/975834679.db2.gz BXNYPXBLWVJNBB-VIFPVBQESA-N 0 0 240.259 2.184 20 5 BEBDRN CCCC[C@H](C)Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228140663 975938660 /nfs/dbraw/zinc/93/86/60/975938660.db2.gz LYGJUWHYHSPOGN-ZETCQYMHSA-N 0 0 241.247 2.048 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCC[C@H](F)C1 ZINC001333764626 976066321 /nfs/dbraw/zinc/06/63/21/976066321.db2.gz MPSAKQMXPUEEQE-JGVFFNPUSA-N 0 0 242.254 2.021 20 5 BEBDRN C[C@@H](Oc1ncncc1[N+](=O)[O-])C1CCCC1 ZINC001228653733 976407957 /nfs/dbraw/zinc/40/79/57/976407957.db2.gz AYNFUHPEUASHDU-MRVPVSSYSA-N 0 0 237.259 2.342 20 5 BEBDRN CC(C)Oc1ccc([N+](=O)[O-])c(Cl)n1 ZINC001228935188 976589302 /nfs/dbraw/zinc/58/93/02/976589302.db2.gz BKZHYJDKAMIDAM-UHFFFAOYSA-N 0 0 216.624 2.430 20 5 BEBDRN O=c1cc[nH]cc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174478375 976801428 /nfs/dbraw/zinc/80/14/28/976801428.db2.gz WYWZNGXUZTVDBU-UHFFFAOYSA-N 0 0 231.211 2.027 20 5 BEBDRN Nc1ccc(NCCCC(F)F)nc1[N+](=O)[O-] ZINC001335540006 977129083 /nfs/dbraw/zinc/12/90/83/977129083.db2.gz KEPKPCVPKUMQEH-UHFFFAOYSA-N 0 0 246.217 2.029 20 5 BEBDRN O=[N+]([O-])c1cccc2ncnc(OC3CCC3)c21 ZINC001231052869 977448128 /nfs/dbraw/zinc/44/81/28/977448128.db2.gz GAJQAQBQZVCPMQ-UHFFFAOYSA-N 0 0 245.238 2.469 20 5 BEBDRN CC(C)Oc1ncnc2cccc([N+](=O)[O-])c21 ZINC001231053107 977449545 /nfs/dbraw/zinc/44/95/45/977449545.db2.gz IKTPLFUFAVGHLA-UHFFFAOYSA-N 0 0 233.227 2.325 20 5 BEBDRN CCCCCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001336438311 977688499 /nfs/dbraw/zinc/68/84/99/977688499.db2.gz LADHDMQLQFEUBR-UHFFFAOYSA-N 0 0 224.264 2.174 20 5 BEBDRN Cn1ccc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)n1 ZINC001175900319 977811688 /nfs/dbraw/zinc/81/16/88/977811688.db2.gz OQNZMXIURBLGNZ-RMKNXTFCSA-N 0 0 244.254 2.411 20 5 BEBDRN Cc1cc(N)n(-c2ccc(/C=C/[N+](=O)[O-])cc2)n1 ZINC001175899830 977812003 /nfs/dbraw/zinc/81/20/03/977812003.db2.gz AOJPHTQPTZVPBY-VOTSOKGWSA-N 0 0 244.254 2.010 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(Nc2ccnnc2)cc1 ZINC001175899642 977812167 /nfs/dbraw/zinc/81/21/67/977812167.db2.gz ZQYFRHATNYEPPR-SOFGYWHQSA-N 0 0 242.238 2.468 20 5 BEBDRN CC[C@@H](F)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001338024797 978590785 /nfs/dbraw/zinc/59/07/85/978590785.db2.gz RIONOVIZAKSEPK-SECBINFHSA-N 0 0 245.181 2.387 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCC2CSC2)s1 ZINC001338082439 978608887 /nfs/dbraw/zinc/60/88/87/978608887.db2.gz LDVPXROZPPBXAV-UHFFFAOYSA-N 0 0 245.329 2.216 20 5 BEBDRN O=[N+]([O-])c1c(F)cc(OC[C@H]2CCO2)cc1F ZINC001233750594 978686897 /nfs/dbraw/zinc/68/68/97/978686897.db2.gz MQKGXXMXFDHRIG-ZCFIWIBFSA-N 0 0 245.181 2.041 20 5 BEBDRN O=[N+]([O-])c1c(F)cc(OC2CC2)cc1F ZINC001233755368 978691797 /nfs/dbraw/zinc/69/17/97/978691797.db2.gz YZPWUNWCLKWUJC-UHFFFAOYSA-N 0 0 215.155 2.414 20 5 BEBDRN Cc1cc(NC(=O)[C@@H]2C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001339248475 978824935 /nfs/dbraw/zinc/82/49/35/978824935.db2.gz JWDBTLGNUWLYCW-GZMMTYOYSA-N 0 0 234.255 2.498 20 5 BEBDRN CC[C@H](Nc1cc(N)c([N+](=O)[O-])cn1)C1CC1 ZINC001339774809 978910273 /nfs/dbraw/zinc/91/02/73/978910273.db2.gz UOMASPNWNRYRQO-VIFPVBQESA-N 0 0 236.275 2.173 20 5 BEBDRN Cc1nccc([N+](=O)[O-])c1OC1CC(F)(F)C1 ZINC001234902121 978927084 /nfs/dbraw/zinc/92/70/84/978927084.db2.gz WIMZFROESDIKOM-UHFFFAOYSA-N 0 0 244.197 2.475 20 5 BEBDRN COc1ccncc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203566029 979817937 /nfs/dbraw/zinc/81/79/37/979817937.db2.gz BBUNNPXJVSLZGU-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN O=C(CCF)OCCc1ccc([N+](=O)[O-])cc1 ZINC001343401138 980095712 /nfs/dbraw/zinc/09/57/12/980095712.db2.gz BUNWKPGKGDHQRC-UHFFFAOYSA-N 0 0 241.218 2.040 20 5 BEBDRN Cc1ccc(Oc2cc[nH]c(=O)c2[N+](=O)[O-])cn1 ZINC001185034669 980166419 /nfs/dbraw/zinc/16/64/19/980166419.db2.gz BDQCWZVSTVYVBX-UHFFFAOYSA-N 0 0 247.210 2.191 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)/C=C1/CC[C@@H](C)C1 ZINC001344401776 980387654 /nfs/dbraw/zinc/38/76/54/980387654.db2.gz FHDVFDRJHQLLEF-XMZCBSEDSA-N 0 0 241.287 2.331 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C(C)(C)C1CCC1 ZINC001344403447 980387952 /nfs/dbraw/zinc/38/79/52/980387952.db2.gz OPDJOIROVJVVFK-JTQLQIEISA-N 0 0 243.303 2.411 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(N[C@H]2CCC[C@H](F)C2)n1 ZINC001186821757 980446853 /nfs/dbraw/zinc/44/68/53/980446853.db2.gz MLVRCZHMVGELNC-YUMQZZPRSA-N 0 0 242.254 2.021 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC1(C)C ZINC001345689396 980670802 /nfs/dbraw/zinc/67/08/02/980670802.db2.gz GWLQWNUBXDKINX-IUCAKERBSA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C12CCC(CC1)C2 ZINC001345690697 980671225 /nfs/dbraw/zinc/67/12/25/980671225.db2.gz ZTPPWNVJZJXDOX-YZRBJQDESA-N 0 0 241.287 2.165 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001345694864 980674289 /nfs/dbraw/zinc/67/42/89/980674289.db2.gz PPPCFFNFFORJHG-GMTAPVOTSA-N 0 0 243.303 2.267 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001346195583 980778930 /nfs/dbraw/zinc/77/89/30/980778930.db2.gz ANVPXROBCSLPHF-ZNSHCXBVSA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C)C(C)(C)C ZINC001346196674 980782327 /nfs/dbraw/zinc/78/23/27/980782327.db2.gz HORGYUGBVADJNZ-IUCAKERBSA-N 0 0 231.292 2.267 20 5 BEBDRN O=[N+]([O-])c1cnn(CC/C=C\c2ccccc2)n1 ZINC001189946212 980837704 /nfs/dbraw/zinc/83/77/04/980837704.db2.gz JWVZODDBCOSSLZ-YWEYNIOJSA-N 0 0 244.254 2.290 20 5 BEBDRN C=C/C=C/CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001583687704 981832382 /nfs/dbraw/zinc/83/23/82/981832382.db2.gz KSGAWFXJEUFADH-ONEGZZNKSA-N 0 0 246.266 2.457 20 5 BEBDRN CO[C@@H](C)COc1cc([N+](=O)[O-])c(F)cc1F ZINC001350124977 981880116 /nfs/dbraw/zinc/88/01/16/981880116.db2.gz BCTIFBZENPHXKC-LURJTMIESA-N 0 0 247.197 2.287 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NCC1CC=CC1 ZINC001351353056 982292333 /nfs/dbraw/zinc/29/23/33/982292333.db2.gz OKMWELDLMLXZBG-UHFFFAOYSA-N 0 0 233.271 2.098 20 5 BEBDRN C[C@@H](OC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC001205786293 982486222 /nfs/dbraw/zinc/48/62/22/982486222.db2.gz MPLBAKGSTFPTMJ-DTWKUNHWSA-N 0 0 225.244 2.053 20 5 BEBDRN C[C@@H](O)CO[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001205786295 982487277 /nfs/dbraw/zinc/48/72/77/982487277.db2.gz MPLBAKGSTFPTMJ-RKDXNWHRSA-N 0 0 225.244 2.053 20 5 BEBDRN Cc1noc(C[NH2+][C@@H](C)C2(C)CC2)c1[N+](=O)[O-] ZINC001198407183 982707521 /nfs/dbraw/zinc/70/75/21/982707521.db2.gz RWUBUKGCDMIOCF-QMMMGPOBSA-N 0 0 239.275 2.169 20 5 BEBDRN O=[N+]([O-])c1cc(O)cc(Nc2ccon2)c1 ZINC001199800958 983020396 /nfs/dbraw/zinc/02/03/96/983020396.db2.gz LDXIGHUALYHASQ-UHFFFAOYSA-N 0 0 221.172 2.032 20 5 BEBDRN Cc1cnc(Nc2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC001199801713 983022138 /nfs/dbraw/zinc/02/21/38/983022138.db2.gz HPPWCCAMFHVONB-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN CCC[C@H](C)N(C)c1cc(N)c([N+](=O)[O-])cn1 ZINC001354069552 983135342 /nfs/dbraw/zinc/13/53/42/983135342.db2.gz FPMYFUNBQWGBOO-QMMMGPOBSA-N 0 0 238.291 2.197 20 5 BEBDRN Nc1cc(NCCCC2CC2)ncc1[N+](=O)[O-] ZINC001354109732 983158065 /nfs/dbraw/zinc/15/80/65/983158065.db2.gz KCRFLGNMHYATTH-UHFFFAOYSA-N 0 0 236.275 2.174 20 5 BEBDRN Cc1ccc(OC(=O)[C@@H]2C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001356155697 983585231 /nfs/dbraw/zinc/58/52/31/983585231.db2.gz ATYQDMPEYZIIIO-SFYZADRCSA-N 0 0 239.202 2.167 20 5 BEBDRN Cc1nnc(Cc2cc(F)ccc2[N+](=O)[O-])o1 ZINC001253401789 984154763 /nfs/dbraw/zinc/15/47/63/984154763.db2.gz CWZOTEQAXIAZPM-UHFFFAOYSA-N 0 0 237.190 2.016 20 5 BEBDRN Cc1nnc(-c2cc([N+](=O)[O-])c(C)s2)o1 ZINC001253448345 984173658 /nfs/dbraw/zinc/17/36/58/984173658.db2.gz FIBDYPNRDPCUMY-UHFFFAOYSA-N 0 0 225.229 2.323 20 5 BEBDRN C=C/C=C\CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC001441609309 984482021 /nfs/dbraw/zinc/48/20/21/984482021.db2.gz XWQAKYMSWPSRJM-ARJAWSKDSA-N 0 0 246.266 2.343 20 5 BEBDRN C[C@@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000688025513 985499263 /nfs/dbraw/zinc/49/92/63/985499263.db2.gz PKBNZRATWBKLPK-RDDDGLTNSA-N 0 0 240.234 2.181 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2nnc(C3CC3)o2)o1 ZINC001254048202 986468589 /nfs/dbraw/zinc/46/85/89/986468589.db2.gz HXYUDHYOBSKFCB-UHFFFAOYSA-N 0 0 221.172 2.115 20 5 BEBDRN O=C(OCCF)Oc1ccc(F)cc1[N+](=O)[O-] ZINC001462982940 986525792 /nfs/dbraw/zinc/52/57/92/986525792.db2.gz OYUJKPSBIIBUJE-UHFFFAOYSA-N 0 0 247.153 2.219 20 5 BEBDRN CC(C)Cc1nnc(-c2cc([N+](=O)[O-])ccn2)o1 ZINC001256413124 987218558 /nfs/dbraw/zinc/21/85/58/987218558.db2.gz SOYPABJBJAORGS-UHFFFAOYSA-N 0 0 248.242 2.238 20 5 BEBDRN C[C@@H]1C[C@H]1c1nnc(-c2ccnc([N+](=O)[O-])c2)o1 ZINC001256719044 987278805 /nfs/dbraw/zinc/27/88/05/987278805.db2.gz SRKLTGNFFLVNOT-HTRCEHHLSA-N 0 0 246.226 2.163 20 5 BEBDRN CN(Cc1cn[nH]c1)c1ccsc1[N+](=O)[O-] ZINC001472873158 987294686 /nfs/dbraw/zinc/29/46/86/987294686.db2.gz PAJGFVQHHFPTBP-UHFFFAOYSA-N 0 0 238.272 2.016 20 5 BEBDRN CC1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC001116094292 987445487 /nfs/dbraw/zinc/44/54/87/987445487.db2.gz MSKSLJMUHUEBRS-UHFFFAOYSA-N 0 0 238.218 2.016 20 5 BEBDRN CC(C)c1nnc(-c2ccc(N)c([N+](=O)[O-])c2)o1 ZINC001117162139 987792386 /nfs/dbraw/zinc/79/23/86/987792386.db2.gz ZODWIJVOQDKYOD-UHFFFAOYSA-N 0 0 248.242 2.350 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CCC[C@@H]1C ZINC001117258663 987813654 /nfs/dbraw/zinc/81/36/54/987813654.db2.gz ODFDBNNJUKFPSK-VIFPVBQESA-N 0 0 221.260 2.287 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NCCC(C)(F)F ZINC001117757602 987893018 /nfs/dbraw/zinc/89/30/18/987893018.db2.gz YTYSLRGFLMTFFS-UHFFFAOYSA-N 0 0 245.229 2.177 20 5 BEBDRN Cc1nc(NC[C@@H](C)C2CC2)ncc1[N+](=O)[O-] ZINC001117794330 987920485 /nfs/dbraw/zinc/92/04/85/987920485.db2.gz HOOSFGRPJWFOJK-SSDOTTSWSA-N 0 0 236.275 2.151 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1CCC[C@@H](F)C1 ZINC001118124755 988019579 /nfs/dbraw/zinc/01/95/79/988019579.db2.gz JCIHWUNIQQAHBP-RKDXNWHRSA-N 0 0 239.250 2.104 20 5 BEBDRN COCc1nnc(-c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC001322611601 988342752 /nfs/dbraw/zinc/34/27/52/988342752.db2.gz RCCCEIKSMUCAIT-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1(C)CC1 ZINC001322989315 988421743 /nfs/dbraw/zinc/42/17/43/988421743.db2.gz TUZMNZXWKZXSHF-UHFFFAOYSA-N 0 0 234.255 2.186 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001118854808 988652807 /nfs/dbraw/zinc/65/28/07/988652807.db2.gz SSNNEMGAOBMWHA-GMTAPVOTSA-N 0 0 247.298 2.321 20 5 BEBDRN CC[C@H](F)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001515640588 989087222 /nfs/dbraw/zinc/08/72/22/989087222.db2.gz KZMNHWZQIMUGPL-JTQLQIEISA-N 0 0 240.234 2.306 20 5 BEBDRN C[C@@H](C(=O)NC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001325115975 989087914 /nfs/dbraw/zinc/08/79/14/989087914.db2.gz BNELLOZUJPFVCJ-SECBINFHSA-N 0 0 248.282 2.367 20 5 BEBDRN Cc1cc(Nc2cc([N+](=O)[O-])cnc2C)nn1C ZINC001248746302 989139404 /nfs/dbraw/zinc/13/94/04/989139404.db2.gz KPZKREIBJOVMOJ-UHFFFAOYSA-N 0 0 247.258 2.084 20 5 BEBDRN C[C@H](O)C(C)(C)CNc1ccsc1[N+](=O)[O-] ZINC001516126170 989140114 /nfs/dbraw/zinc/14/01/14/989140114.db2.gz JZGSPOHTQUZVIU-ZETCQYMHSA-N 0 0 244.316 2.475 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1ccc(=O)[nH]c1 ZINC001248746620 989141439 /nfs/dbraw/zinc/14/14/39/989141439.db2.gz MSDQZRQZOULZDI-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1sccc1F ZINC001517178834 989207937 /nfs/dbraw/zinc/20/79/37/989207937.db2.gz IWFYJSSFPSYYKS-ZCFIWIBFSA-N 0 0 247.247 2.099 20 5 BEBDRN CCn1cnc(Nc2cc([N+](=O)[O-])cnc2C)c1 ZINC001249544558 989306328 /nfs/dbraw/zinc/30/63/28/989306328.db2.gz JVFULIYJNQUNJE-UHFFFAOYSA-N 0 0 247.258 2.258 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1ccno1 ZINC001249544833 989308263 /nfs/dbraw/zinc/30/82/63/989308263.db2.gz UMBOQMPPNXDGRD-UHFFFAOYSA-N 0 0 220.188 2.030 20 5 BEBDRN Cc1nc(N[C@@H]2C[C@@H]3CCC[C@@H]23)ncc1[N+](=O)[O-] ZINC001119984557 989543541 /nfs/dbraw/zinc/54/35/41/989543541.db2.gz WHCCIMCQKLXZAL-IVZWLZJFSA-N 0 0 248.286 2.294 20 5 BEBDRN CCCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001120706026 989839265 /nfs/dbraw/zinc/83/92/65/989839265.db2.gz PLPDOKRTIOHQRZ-UHFFFAOYSA-N 0 0 237.259 2.224 20 5 BEBDRN CC[C@H](F)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001120822064 989904143 /nfs/dbraw/zinc/90/41/43/989904143.db2.gz NIQPZTLBSWFBNS-ZETCQYMHSA-N 0 0 244.197 2.421 20 5 BEBDRN CN(CC(C)(C)C)c1cc(N)c([N+](=O)[O-])cn1 ZINC001120895181 989949307 /nfs/dbraw/zinc/94/93/07/989949307.db2.gz AXNFLUKYSHGQAY-UHFFFAOYSA-N 0 0 238.291 2.054 20 5 BEBDRN CCCC[C@H](C)C(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001526648318 990165566 /nfs/dbraw/zinc/16/55/66/990165566.db2.gz FFPOTQVREVMFAX-UWVGGRQHSA-N 0 0 231.292 2.411 20 5 BEBDRN Cc1cc(NC(=O)C(F)F)cc([N+](=O)[O-])c1 ZINC001537894285 990518716 /nfs/dbraw/zinc/51/87/16/990518716.db2.gz ZVZBHNPESSBJGN-UHFFFAOYSA-N 0 0 230.170 2.107 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1c(C)coc1C ZINC001123355603 990557320 /nfs/dbraw/zinc/55/73/20/990557320.db2.gz UBOBGOQMKHHYKS-VIFPVBQESA-N 0 0 241.243 2.109 20 5 BEBDRN CCC/C(C)=C/C(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001123355763 990557763 /nfs/dbraw/zinc/55/77/63/990557763.db2.gz VNPXFBOWCDSOEJ-PCYYEKQGSA-N 0 0 229.276 2.331 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[C@@H]1CC ZINC001123355256 990559047 /nfs/dbraw/zinc/55/90/47/990559047.db2.gz NWOBOEGOSZGDQK-HBNTYKKESA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1conc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001124403749 990784471 /nfs/dbraw/zinc/78/44/71/990784471.db2.gz NQRBDNBYUZSTAQ-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN O=[N+]([O-])c1cccc(OCc2nncs2)c1 ZINC001559327685 991073159 /nfs/dbraw/zinc/07/31/59/991073159.db2.gz QDJBSVLTLITVPH-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN O=[N+]([O-])c1ccnn1CC=C(Cl)Cl ZINC001559361037 991080560 /nfs/dbraw/zinc/08/05/60/991080560.db2.gz LIBJHRLDRZVDGP-UHFFFAOYSA-N 0 0 222.031 2.110 20 5 BEBDRN COC(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC001309256801 991262719 /nfs/dbraw/zinc/26/27/19/991262719.db2.gz HQNDVQTWHQJMCH-UHFFFAOYSA-N 0 0 231.591 2.393 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1(C)CC1 ZINC001318684464 991697481 /nfs/dbraw/zinc/69/74/81/991697481.db2.gz ZNFKHKZUMLRWID-UHFFFAOYSA-N 0 0 234.255 2.186 20 5 BEBDRN O=C(CC1CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001318738971 991709486 /nfs/dbraw/zinc/70/94/86/991709486.db2.gz AGPHUJPGPMYBRT-UHFFFAOYSA-N 0 0 246.266 2.237 20 5 BEBDRN O=C(c1ccccc1[N+](=O)[O-])N1CC2(CCC2)C1 ZINC001566350851 991840744 /nfs/dbraw/zinc/84/07/44/991840744.db2.gz QYYLXBQQTJCTBW-UHFFFAOYSA-N 0 0 246.266 2.221 20 5 BEBDRN COc1cc(-c2nnc(C)o2)cc([N+](=O)[O-])c1C ZINC001261431217 992301623 /nfs/dbraw/zinc/30/16/23/992301623.db2.gz SCFGLVNLVTYIIJ-UHFFFAOYSA-N 0 0 249.226 2.270 20 5 BEBDRN O=C(OC1CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001263470671 993327339 /nfs/dbraw/zinc/32/73/39/993327339.db2.gz IVBCGDJTDDJELW-NWDGAFQWSA-N 0 0 247.250 2.404 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C=C1CCCC1 ZINC001263624328 993430354 /nfs/dbraw/zinc/43/03/54/993430354.db2.gz RKZIKVDHSCHCJI-SNVBAGLBSA-N 0 0 227.260 2.085 20 5 BEBDRN O=C(NC/C=C\Cl)c1ccc([N+](=O)[O-])cc1 ZINC001289553574 994501707 /nfs/dbraw/zinc/50/17/07/994501707.db2.gz GCGMCYCWEMZHFM-BHQIHCQQSA-N 0 0 240.646 2.077 20 5 BEBDRN Nc1cc(N[C@@H]2CCCC23CC3)ncc1[N+](=O)[O-] ZINC001337934925 995226433 /nfs/dbraw/zinc/22/64/33/995226433.db2.gz DUCPUPZEJTZMNB-SNVBAGLBSA-N 0 0 248.286 2.317 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(Oc2cccc(F)c2)n1 ZINC001306916142 995270986 /nfs/dbraw/zinc/27/09/86/995270986.db2.gz ZHLXXIKPNFKBTC-UHFFFAOYSA-N 0 0 237.190 2.260 20 5 BEBDRN CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001611735672 1170444929 /nfs/dbraw/zinc/44/49/29/1170444929.db2.gz GUEIMDYEIGNJJU-UHFFFAOYSA-N 0 0 203.201 2.185 20 5 BEBDRN O=[N+]([O-])c1cnc(NCc2ccoc2)c(F)c1 ZINC001611880176 1170446805 /nfs/dbraw/zinc/44/68/05/1170446805.db2.gz VVZFHFOVNYENMC-UHFFFAOYSA-N 0 0 237.190 2.334 20 5 BEBDRN O=C(OCCF)Oc1cc(F)ccc1[N+](=O)[O-] ZINC001621592633 1170861834 /nfs/dbraw/zinc/86/18/34/1170861834.db2.gz DPXXFGDSFUXDEM-UHFFFAOYSA-N 0 0 247.153 2.219 20 5 BEBDRN CC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000037976315 1171000084 /nfs/dbraw/zinc/00/00/84/1171000084.db2.gz KFBMNIARUPPSHU-VIFPVBQESA-N 0 0 223.228 2.260 20 5 BEBDRN CC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1F ZINC000038082138 1171017093 /nfs/dbraw/zinc/01/70/93/1171017093.db2.gz SNRSSDJSANJTON-SSDOTTSWSA-N 0 0 227.191 2.090 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(Nc2ccccc2)n1 ZINC001649207518 1171126975 /nfs/dbraw/zinc/12/69/75/1171126975.db2.gz MDDXOFGYFBORRM-UHFFFAOYSA-N 0 0 218.216 2.072 20 5 BEBDRN Cc1cc(COc2ccccc2[N+](=O)[O-])no1 ZINC000302594338 178050997 /nfs/dbraw/zinc/05/09/97/178050997.db2.gz CJLQKAATWBVDGZ-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN Cc1cc(N(C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000106489490 178100717 /nfs/dbraw/zinc/10/07/17/178100717.db2.gz QAZROIABBRTDLP-LLVKDONJSA-N 0 0 236.271 2.128 20 5 BEBDRN CCC1CN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000335421389 398202865 /nfs/dbraw/zinc/20/28/65/398202865.db2.gz MYZNDQLKOJTERC-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN CCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055465127 398203180 /nfs/dbraw/zinc/20/31/80/398203180.db2.gz JATBHIASZQCHKI-MRVPVSSYSA-N 0 0 222.244 2.182 20 5 BEBDRN Cc1cc(NC(=O)C2CC2)ccc1[N+](=O)[O-] ZINC000075282737 178125108 /nfs/dbraw/zinc/12/51/08/178125108.db2.gz ZNTHESPLMUKWRQ-UHFFFAOYSA-N 0 0 220.228 2.252 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H]2C)c1 ZINC000266039539 398208891 /nfs/dbraw/zinc/20/88/91/398208891.db2.gz GIZSWUCDJYFYTI-ZJUUUORDSA-N 0 0 248.282 2.289 20 5 BEBDRN COC[C@@H](C)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000086454038 398209093 /nfs/dbraw/zinc/20/90/93/398209093.db2.gz COAAYGCTSUBPNF-SSDOTTSWSA-N 0 0 229.207 2.148 20 5 BEBDRN Cc1cc(NCC(C)(C)O)ccc1[N+](=O)[O-] ZINC000082686961 178155938 /nfs/dbraw/zinc/15/59/38/178155938.db2.gz ROAQCZFTYQIHOO-UHFFFAOYSA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cc(NCC2CC2)ncc1[N+](=O)[O-] ZINC000081275198 178158265 /nfs/dbraw/zinc/15/82/65/178158265.db2.gz VAZNAJWQHWIEKO-UHFFFAOYSA-N 0 0 207.233 2.120 20 5 BEBDRN Cc1cc(NCC[C@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000292534784 178163398 /nfs/dbraw/zinc/16/33/98/178163398.db2.gz HXLFOMJTKFYPHH-QMMMGPOBSA-N 0 0 242.250 2.225 20 5 BEBDRN Cc1cc(NC[C@H](O)C(C)C)ccc1[N+](=O)[O-] ZINC000092656722 178168625 /nfs/dbraw/zinc/16/86/25/178168625.db2.gz GHUGSNMLPIYBLG-LBPRGKRZSA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1cc(Oc2cccnc2)ncc1[N+](=O)[O-] ZINC000301439054 178215448 /nfs/dbraw/zinc/21/54/48/178215448.db2.gz UNBSWTDPYZVLQL-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN Cc1cc(Oc2cccc[n+]2[O-])ccc1[N+](=O)[O-] ZINC000301095801 178216191 /nfs/dbraw/zinc/21/61/91/178216191.db2.gz NKQNFZCOTNXYOI-UHFFFAOYSA-N 0 0 246.222 2.329 20 5 BEBDRN Cc1cc(SC[C@@H](C)CO)ncc1[N+](=O)[O-] ZINC000081275341 178218340 /nfs/dbraw/zinc/21/83/40/178218340.db2.gz URXIFURIKDFEQY-ZETCQYMHSA-N 0 0 242.300 2.019 20 5 BEBDRN CC(C)=CC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266067364 187332666 /nfs/dbraw/zinc/33/26/66/187332666.db2.gz SBKCAKDTPNQZDM-UHFFFAOYSA-N 0 0 248.282 2.220 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[C@@H]1C ZINC000299577305 178270667 /nfs/dbraw/zinc/27/06/67/178270667.db2.gz DBWCXAVJKSFWGB-WCBMZHEXSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1CN(C)CCF ZINC000293625849 178271000 /nfs/dbraw/zinc/27/10/00/178271000.db2.gz KZTLIEFMSMIIRH-UHFFFAOYSA-N 0 0 226.251 2.305 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OC[C@H]1CCCO1 ZINC000178988949 178272325 /nfs/dbraw/zinc/27/23/25/178272325.db2.gz QMRQSHVHSNYUSE-LLVKDONJSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@@H](C)CO ZINC000158677696 178272375 /nfs/dbraw/zinc/27/23/75/178272375.db2.gz KSIVWTUEPOWALX-VHSXEESVSA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCCCCO ZINC000201294474 178272680 /nfs/dbraw/zinc/27/26/80/178272680.db2.gz TWQRGCYCTUKXRA-UHFFFAOYSA-N 0 0 224.260 2.088 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCC1(C)COC1 ZINC000223245989 178273199 /nfs/dbraw/zinc/27/31/99/178273199.db2.gz HMFKLUVEGPFHJZ-UHFFFAOYSA-N 0 0 236.271 2.352 20 5 BEBDRN CCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421456312 192340777 /nfs/dbraw/zinc/34/07/77/192340777.db2.gz QXWCDLLLZVDTCW-UHFFFAOYSA-N 0 0 236.271 2.351 20 5 BEBDRN CCC(CC)N(CC)c1ncc([N+](=O)[O-])cn1 ZINC000288867076 168371679 /nfs/dbraw/zinc/37/16/79/168371679.db2.gz KZYVCBRAGZZPRM-UHFFFAOYSA-N 0 0 238.291 2.400 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CO[C@H](C)C1 ZINC000402101064 349605600 /nfs/dbraw/zinc/60/56/00/349605600.db2.gz OZWLNDGLIRAQMV-ZJUUUORDSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@H]1CO[C@H](C)C1 ZINC000402101060 349605540 /nfs/dbraw/zinc/60/55/40/349605540.db2.gz OZWLNDGLIRAQMV-NXEZZACHSA-N 0 0 236.271 2.493 20 5 BEBDRN C[C@@H](CO)CCCNc1sccc1[N+](=O)[O-] ZINC000309589100 342716767 /nfs/dbraw/zinc/71/67/67/342716767.db2.gz UCOGGBMBEGCNAV-MRVPVSSYSA-N 0 0 244.316 2.477 20 5 BEBDRN Cc1c(CNc2cccnn2)cccc1[N+](=O)[O-] ZINC000231869090 342741082 /nfs/dbraw/zinc/74/10/82/342741082.db2.gz LFTANGFBXMNFJW-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cc(C)n(Cc2ccccc2[N+](=O)[O-])n1 ZINC000005958122 342772075 /nfs/dbraw/zinc/77/20/75/342772075.db2.gz PFVHPPGHSUOVNC-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN Cc1nn(Cc2ccc(C)nc2C)cc1[N+](=O)[O-] ZINC000185410465 398303304 /nfs/dbraw/zinc/30/33/04/398303304.db2.gz FOSLZHXDMRFYRJ-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN COC(=O)[C@H](C)Sc1cccc([N+](=O)[O-])c1 ZINC000313439437 398310451 /nfs/dbraw/zinc/31/04/51/398310451.db2.gz BWXAWIISJSIHFP-ZETCQYMHSA-N 0 0 241.268 2.248 20 5 BEBDRN CCN(CCOC)c1ccc([N+](=O)[O-])s1 ZINC000608778990 342898938 /nfs/dbraw/zinc/89/89/38/342898938.db2.gz MAJFOPRGTSLLNR-UHFFFAOYSA-N 0 0 230.289 2.129 20 5 BEBDRN Cc1cc(N[C@H](C)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000228133942 398322706 /nfs/dbraw/zinc/32/27/06/398322706.db2.gz TYNLLDHQLVRBHE-NXEZZACHSA-N 0 0 238.287 2.475 20 5 BEBDRN CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000351515457 136246464 /nfs/dbraw/zinc/24/64/64/136246464.db2.gz SRMXYUXPPASOTR-UHFFFAOYSA-N 0 0 236.271 2.009 20 5 BEBDRN Cc1cnc(COc2cccc([N+](=O)[O-])c2)o1 ZINC000133238631 398324014 /nfs/dbraw/zinc/32/40/14/398324014.db2.gz YBXCIEXCTKDYNY-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN C[C@H](CCO)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000133347273 398324632 /nfs/dbraw/zinc/32/46/32/398324632.db2.gz LFGUIFQSRLAGFO-SSDOTTSWSA-N 0 0 244.678 2.431 20 5 BEBDRN C[C@H]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000230696340 346881811 /nfs/dbraw/zinc/88/18/11/346881811.db2.gz NMDZBNAVSBSSKD-DTWKUNHWSA-N 0 0 236.275 2.233 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CC=CCC1 ZINC000611509922 398334166 /nfs/dbraw/zinc/33/41/66/398334166.db2.gz KIMWESDDGYCRGR-UHFFFAOYSA-N 0 0 239.662 2.410 20 5 BEBDRN C[C@H]1OCC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000147485853 398344803 /nfs/dbraw/zinc/34/48/03/398344803.db2.gz XQGGJNIIPLBJNQ-VXNVDRBHSA-N 0 0 240.234 2.323 20 5 BEBDRN CC(=O)c1ccc(Nc2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000301083085 187205966 /nfs/dbraw/zinc/20/59/66/187205966.db2.gz LNWXNISPPAGPSJ-UHFFFAOYSA-N 0 0 246.226 2.264 20 5 BEBDRN CC(C)(C)OCCNc1ccc([N+](=O)[O-])cn1 ZINC000308528924 259340017 /nfs/dbraw/zinc/34/00/17/259340017.db2.gz MLZDSYGFINZDPO-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN O=[N+]([O-])c1cnn(C[C@H]2CCC(F)(F)C2)c1 ZINC000335909710 136262228 /nfs/dbraw/zinc/26/22/28/136262228.db2.gz REWMGSNHGILSBW-ZETCQYMHSA-N 0 0 231.202 2.227 20 5 BEBDRN C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)[C@H]1C ZINC000249456421 362069013 /nfs/dbraw/zinc/06/90/13/362069013.db2.gz YCNACNGNWKIFAF-BQBZGAKWSA-N 0 0 227.289 2.286 20 5 BEBDRN C[C@H]1C[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000043146125 187231971 /nfs/dbraw/zinc/23/19/71/187231971.db2.gz CLUZGQLRJCMQQR-DTWKUNHWSA-N 0 0 249.270 2.372 20 5 BEBDRN C[C@@H](O)C[C@@H](C)CNc1ccsc1[N+](=O)[O-] ZINC000309920052 343093791 /nfs/dbraw/zinc/09/37/91/343093791.db2.gz RMTSIZVXYXXQMC-HTQZYQBOSA-N 0 0 244.316 2.475 20 5 BEBDRN Cc1nnc(COc2cc(C)ccc2[N+](=O)[O-])o1 ZINC000029444145 343140177 /nfs/dbraw/zinc/14/01/77/343140177.db2.gz XKUKSEVZEAACHL-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CC(C)(O)COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000288534404 187241327 /nfs/dbraw/zinc/24/13/27/187241327.db2.gz XCAZHNLKVKZEPN-UHFFFAOYSA-N 0 0 245.662 2.398 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@@H]1C ZINC000335807746 344029455 /nfs/dbraw/zinc/02/94/55/344029455.db2.gz AAQWEGGZPLXEIB-QPUJVOFHSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H]1C ZINC000335807842 344029493 /nfs/dbraw/zinc/02/94/93/344029493.db2.gz LZERZMBNMQXJHP-JOYOIKCWSA-N 0 0 248.282 2.432 20 5 BEBDRN CC(C)(O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000037695035 187259872 /nfs/dbraw/zinc/25/98/72/187259872.db2.gz ASCJFVBBMHUDAE-UHFFFAOYSA-N 0 0 245.662 2.398 20 5 BEBDRN Cc1ccn([C@@H]2C=CCCC2)c(=O)c1[N+](=O)[O-] ZINC000335689281 136324040 /nfs/dbraw/zinc/32/40/40/136324040.db2.gz LDSYMPIDVNZBOL-SNVBAGLBSA-N 0 0 234.255 2.346 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCCOC2)s1 ZINC000308927053 346941114 /nfs/dbraw/zinc/94/11/14/346941114.db2.gz KZLKCHHOTONEEX-SSDOTTSWSA-N 0 0 228.273 2.247 20 5 BEBDRN CCCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000048807254 343588268 /nfs/dbraw/zinc/58/82/68/343588268.db2.gz RUBOCRVCSOSLRD-UHFFFAOYSA-N 0 0 222.244 2.011 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCc1cccc(O)c1 ZINC000083373401 343588636 /nfs/dbraw/zinc/58/86/36/343588636.db2.gz CIOGXGQZJXGJLV-UHFFFAOYSA-N 0 0 245.238 2.308 20 5 BEBDRN CC(C)CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000049379764 343596910 /nfs/dbraw/zinc/59/69/10/343596910.db2.gz VJASWVYSAIDPNH-UHFFFAOYSA-N 0 0 236.271 2.257 20 5 BEBDRN CCCCCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000048429237 343581051 /nfs/dbraw/zinc/58/10/51/343581051.db2.gz LAWIQAKNZICBTH-UHFFFAOYSA-N 0 0 240.259 2.498 20 5 BEBDRN O=[N+]([O-])c1cc(C(F)F)ccc1NCCCO ZINC000379753242 343617145 /nfs/dbraw/zinc/61/71/45/343617145.db2.gz BLMYXOZFGXTUPQ-UHFFFAOYSA-N 0 0 246.213 2.327 20 5 BEBDRN Cc1c(C(=O)N(C)CC2CC2)cccc1[N+](=O)[O-] ZINC000047904920 343633849 /nfs/dbraw/zinc/63/38/49/343633849.db2.gz IVYVMLVGBNNLOV-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN C/C=C(\C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000291103073 187348409 /nfs/dbraw/zinc/34/84/09/187348409.db2.gz RPPRYDNIWCVHQZ-VMPITWQZSA-N 0 0 239.275 2.481 20 5 BEBDRN CC(C)(CCC(=O)Nc1ccccc1)[N+](=O)[O-] ZINC000294157741 187350443 /nfs/dbraw/zinc/35/04/43/187350443.db2.gz AVZPMYRNNSUZBS-UHFFFAOYSA-N 0 0 236.271 2.461 20 5 BEBDRN CS[C@H](C)CNc1cccnc1[N+](=O)[O-] ZINC000159241011 349870007 /nfs/dbraw/zinc/87/00/07/349870007.db2.gz PTBIJNGEMGFMQY-SSDOTTSWSA-N 0 0 227.289 2.153 20 5 BEBDRN O=[N+]([O-])c1cccc(S[C@@H]2CCOC2)c1 ZINC000334215562 343839363 /nfs/dbraw/zinc/83/93/63/343839363.db2.gz QZLYFLOLXAZWSS-SNVBAGLBSA-N 0 0 225.269 2.476 20 5 BEBDRN CC(C)=CCn1nc(C)c([N+](=O)[O-])c1C ZINC000298658170 187352458 /nfs/dbraw/zinc/35/24/58/187352458.db2.gz BOQMGFOJJQLAEJ-UHFFFAOYSA-N 0 0 209.249 2.374 20 5 BEBDRN CC1(C)C[C@@H]1Nc1cccnc1[N+](=O)[O-] ZINC000156959432 343879256 /nfs/dbraw/zinc/87/92/56/343879256.db2.gz XIVUEGXUSOQPON-QMMMGPOBSA-N 0 0 207.233 2.200 20 5 BEBDRN CC1(C)C[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000298923483 187353349 /nfs/dbraw/zinc/35/33/49/187353349.db2.gz CENHSKNOHZAMOO-NSHDSACASA-N 0 0 248.282 2.052 20 5 BEBDRN CCc1cnc(CNc2ccc([N+](=O)[O-])nc2)o1 ZINC000234265117 343932571 /nfs/dbraw/zinc/93/25/71/343932571.db2.gz UDNFQCMDPZFUKB-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN Cc1cc(C(=O)N[C@@H]2CC23CC3)cc([N+](=O)[O-])c1 ZINC000335140185 343953238 /nfs/dbraw/zinc/95/32/38/343953238.db2.gz ARNWUWMIUYWQQH-LLVKDONJSA-N 0 0 246.266 2.186 20 5 BEBDRN CC/C=C\CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000395064431 344058290 /nfs/dbraw/zinc/05/82/90/344058290.db2.gz PXQYOYSESJGNQR-PLNGDYQASA-N 0 0 221.260 2.098 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1C1CC(C)(C)C1 ZINC000601075964 344136767 /nfs/dbraw/zinc/13/67/67/344136767.db2.gz IPWYGTXSGCBNLX-UHFFFAOYSA-N 0 0 209.249 2.461 20 5 BEBDRN C[C@H]1CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000610928820 344185813 /nfs/dbraw/zinc/18/58/13/344185813.db2.gz PNFQLMVTUWETPO-LURJTMIESA-N 0 0 227.651 2.242 20 5 BEBDRN C[C@H](O)CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000310248376 344273084 /nfs/dbraw/zinc/27/30/84/344273084.db2.gz NLQVAAZNJBKCCP-LURJTMIESA-N 0 0 246.213 2.325 20 5 BEBDRN CC(C)C1CN(c2cccnc2[N+](=O)[O-])C1 ZINC000611078674 344242529 /nfs/dbraw/zinc/24/25/29/344242529.db2.gz ANVQQAFXZVLMNM-UHFFFAOYSA-N 0 0 221.260 2.082 20 5 BEBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[C@@H]1C ZINC000611227958 344355822 /nfs/dbraw/zinc/35/58/22/344355822.db2.gz IKJSYNWRXVIHEB-UWVGGRQHSA-N 0 0 235.287 2.472 20 5 BEBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@H]1C ZINC000611227959 344377247 /nfs/dbraw/zinc/37/72/47/344377247.db2.gz IKJSYNWRXVIHEB-VHSXEESVSA-N 0 0 235.287 2.472 20 5 BEBDRN CCn1nccc1/C=C\c1ccc([N+](=O)[O-])cn1 ZINC000338093256 344397508 /nfs/dbraw/zinc/39/75/08/344397508.db2.gz LFNDFGCKPJDDSG-HYXAFXHYSA-N 0 0 244.254 2.377 20 5 BEBDRN C[C@H](CCO)Sc1ccc([N+](=O)[O-])cc1 ZINC000085143470 344503606 /nfs/dbraw/zinc/50/36/06/344503606.db2.gz KBVAPPWGAUZHIM-MRVPVSSYSA-N 0 0 227.285 2.458 20 5 BEBDRN Cc1ccnc(S[C@H](C)CCO)c1[N+](=O)[O-] ZINC000085143683 344503668 /nfs/dbraw/zinc/50/36/68/344503668.db2.gz YGHQXGNTGDGDME-MRVPVSSYSA-N 0 0 242.300 2.161 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1CCSCC1 ZINC000611289944 344450970 /nfs/dbraw/zinc/45/09/70/344450970.db2.gz DDLPGDNLAMIUFL-UHFFFAOYSA-N 0 0 230.314 2.210 20 5 BEBDRN COC[C@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000037401047 344506792 /nfs/dbraw/zinc/50/67/92/344506792.db2.gz RGAQSPRVTXRDJP-VIFPVBQESA-N 0 0 224.260 2.350 20 5 BEBDRN C[C@H](C(=O)N1CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000603266808 344472822 /nfs/dbraw/zinc/47/28/22/344472822.db2.gz NJMHICQRNSXGFE-ZJUUUORDSA-N 0 0 248.282 2.319 20 5 BEBDRN Cc1cc(CNc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000611370655 344489784 /nfs/dbraw/zinc/48/97/84/344489784.db2.gz GGMVDORHTBCWCA-UHFFFAOYSA-N 0 0 232.243 2.238 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C2CC2)cn1 ZINC000381536812 344518127 /nfs/dbraw/zinc/51/81/27/344518127.db2.gz FYSCPUQQQUQEHT-VHSXEESVSA-N 0 0 219.244 2.200 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000601156062 344561800 /nfs/dbraw/zinc/56/18/00/344561800.db2.gz KVAVJTPSDBOUQY-DIYOJNKTSA-N 0 0 237.234 2.339 20 5 BEBDRN CC1(C)CN(c2ncc([N+](=O)[O-])cn2)[C@H]1C1CC1 ZINC000290711749 347055676 /nfs/dbraw/zinc/05/56/76/347055676.db2.gz OLYAOOUWMWYUTM-JTQLQIEISA-N 0 0 248.286 2.010 20 5 BEBDRN CN(CCF)c1ncc([N+](=O)[O-])cc1Cl ZINC000601170653 344611278 /nfs/dbraw/zinc/61/12/78/344611278.db2.gz SOCDMYHPWVNRDL-UHFFFAOYSA-N 0 0 233.630 2.049 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NCCC1CC1 ZINC000288781083 344659465 /nfs/dbraw/zinc/65/94/65/344659465.db2.gz FEDAVUGMAOGGIH-UHFFFAOYSA-N 0 0 238.291 2.332 20 5 BEBDRN CC1(C)[C@H](O)C[C@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000309443491 347063390 /nfs/dbraw/zinc/06/33/90/347063390.db2.gz KRKYWWPSHOOQJQ-RNFRBKRXSA-N 0 0 242.300 2.228 20 5 BEBDRN CCc1cc(=NCc2ccc([N+](=O)[O-])cc2)[nH]o1 ZINC000611480314 344745185 /nfs/dbraw/zinc/74/51/85/344745185.db2.gz NGQGXPBCASGLQK-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN C[C@H]1CCN(c2cccnc2[N+](=O)[O-])C[C@H]1F ZINC000611494107 344745285 /nfs/dbraw/zinc/74/52/85/344745285.db2.gz CVGZGXZGLFNXNH-DTWKUNHWSA-N 0 0 239.250 2.174 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC=CCC2)c1 ZINC000611517918 344747787 /nfs/dbraw/zinc/74/77/87/344747787.db2.gz VRDXIHOSRWMLSZ-UHFFFAOYSA-N 0 0 246.266 2.305 20 5 BEBDRN Cc1cccc(C(=O)N2CC=CCC2)c1[N+](=O)[O-] ZINC000611513242 344747902 /nfs/dbraw/zinc/74/79/02/344747902.db2.gz TXZNJKGIDGYIGG-UHFFFAOYSA-N 0 0 246.266 2.305 20 5 BEBDRN O=[N+]([O-])c1cccc(CN2CC=CCC2)c1 ZINC000611517294 344749511 /nfs/dbraw/zinc/74/95/11/344749511.db2.gz OOTBFLLEVNIXBQ-UHFFFAOYSA-N 0 0 218.256 2.357 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCC[C@@H](O)C(F)F ZINC000601223910 344710668 /nfs/dbraw/zinc/71/06/68/344710668.db2.gz SHLUQDFDZOCASP-SECBINFHSA-N 0 0 246.213 2.023 20 5 BEBDRN CC(C)[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1 ZINC000075050877 344763483 /nfs/dbraw/zinc/76/34/83/344763483.db2.gz FHUUSLUUFWNFEZ-LBPRGKRZSA-N 0 0 238.287 2.414 20 5 BEBDRN CCN(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000075440903 344771561 /nfs/dbraw/zinc/77/15/61/344771561.db2.gz GDUJACPKPDJKBD-BQYQJAHWSA-N 0 0 234.255 2.086 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC=CCC2)n1 ZINC000611617710 344776165 /nfs/dbraw/zinc/77/61/65/344776165.db2.gz YCDVRQJQETZVRG-UHFFFAOYSA-N 0 0 233.271 2.373 20 5 BEBDRN C[N@@H+]1CC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000309475147 347070710 /nfs/dbraw/zinc/07/07/10/347070710.db2.gz RPWITYFKXUHXCM-MRVPVSSYSA-N 0 0 241.316 2.020 20 5 BEBDRN Cc1cc(N(C)C(C)C)ncc1[N+](=O)[O-] ZINC000074739511 344754576 /nfs/dbraw/zinc/75/45/76/344754576.db2.gz KMUQCINCNWJNDD-UHFFFAOYSA-N 0 0 209.249 2.143 20 5 BEBDRN Nc1nc(Sc2ccccc2)ncc1[N+](=O)[O-] ZINC000076266913 344803096 /nfs/dbraw/zinc/80/30/96/344803096.db2.gz XHRIUEGNGWVPBR-UHFFFAOYSA-N 0 0 248.267 2.118 20 5 BEBDRN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000408465570 344827692 /nfs/dbraw/zinc/82/76/92/344827692.db2.gz HMYVABMYUHBLQP-YUMQZZPRSA-N 0 0 239.250 2.221 20 5 BEBDRN CC1(C)CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078561928 344882878 /nfs/dbraw/zinc/88/28/78/344882878.db2.gz JZPMIDOMGYIPTM-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN Cc1cnc(N(C)C2CCC2)c([N+](=O)[O-])c1 ZINC000078669792 344896867 /nfs/dbraw/zinc/89/68/67/344896867.db2.gz JGPPAJVVANBFIG-UHFFFAOYSA-N 0 0 221.260 2.287 20 5 BEBDRN CC[C@@H]1C[C@@H](C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000612785721 344924113 /nfs/dbraw/zinc/92/41/13/344924113.db2.gz IKEYXPYFCUADCW-RKDXNWHRSA-N 0 0 236.275 2.010 20 5 BEBDRN O=C(/C=C/C1CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000079777669 345035141 /nfs/dbraw/zinc/03/51/41/345035141.db2.gz SQSHZNDNLKTCTO-VOTSOKGWSA-N 0 0 246.266 2.177 20 5 BEBDRN Cc1ccc(OCc2ccnn2C)cc1[N+](=O)[O-] ZINC000091588726 178816633 /nfs/dbraw/zinc/81/66/33/178816633.db2.gz DUEYIAOXZNKODL-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)c[n+]1[O-] ZINC000302222720 178821223 /nfs/dbraw/zinc/82/12/23/178821223.db2.gz OTNCLHJXFLWUKQ-UHFFFAOYSA-N 0 0 246.222 2.329 20 5 BEBDRN Cc1ccc([C@@H](C)NC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000177833478 178834573 /nfs/dbraw/zinc/83/45/73/178834573.db2.gz LOLCUXLGKXZXIO-SECBINFHSA-N 0 0 248.282 2.490 20 5 BEBDRN C[C@@H]1C[C@H](C)CN1c1ncc([N+](=O)[O-])cc1F ZINC000408469676 345324126 /nfs/dbraw/zinc/32/41/26/345324126.db2.gz PPYCOLLRWNVQGI-JGVFFNPUSA-N 0 0 239.250 2.364 20 5 BEBDRN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000408464527 345312536 /nfs/dbraw/zinc/31/25/36/345312536.db2.gz FEPHESWSBOICIW-HTQZYQBOSA-N 0 0 239.250 2.364 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC12CC2 ZINC000425275666 192087687 /nfs/dbraw/zinc/08/76/87/192087687.db2.gz UCMLWCZQOZQBNY-MRVPVSSYSA-N 0 0 236.275 2.084 20 5 BEBDRN COCC[C@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000088508536 345542055 /nfs/dbraw/zinc/54/20/55/345542055.db2.gz QHFFOHJKZWJLSV-ZETCQYMHSA-N 0 0 227.264 2.006 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C=C[C@H](CO)C2)c1 ZINC000088727020 345544313 /nfs/dbraw/zinc/54/43/13/345544313.db2.gz DYXVBZWXNNSRMD-WDEREUQCSA-N 0 0 248.282 2.252 20 5 BEBDRN CCn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000088344609 345549997 /nfs/dbraw/zinc/54/99/97/345549997.db2.gz VLYAXVNSCZXHEI-UHFFFAOYSA-N 0 0 205.217 2.273 20 5 BEBDRN CCOCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC000092963185 345650058 /nfs/dbraw/zinc/65/00/58/345650058.db2.gz ZLYJEIRCNGVULP-UHFFFAOYSA-N 0 0 238.287 2.376 20 5 BEBDRN O=C(CC(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000149193303 345715146 /nfs/dbraw/zinc/71/51/46/345715146.db2.gz KEYMZUFQVHTCIO-UHFFFAOYSA-N 0 0 248.160 2.486 20 5 BEBDRN Cc1cc(NCCC(C)(C)O)ccc1[N+](=O)[O-] ZINC000165856755 345721030 /nfs/dbraw/zinc/72/10/30/345721030.db2.gz OSZJIGOBNLTMFB-UHFFFAOYSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC2)c1 ZINC000173026801 178927644 /nfs/dbraw/zinc/92/76/44/178927644.db2.gz ADDYKVPWGRRBOX-UHFFFAOYSA-N 0 0 234.255 2.043 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)C(C)C)c1 ZINC000122887607 178929343 /nfs/dbraw/zinc/92/93/43/178929343.db2.gz LCRMVMDURCVANT-GFCCVEGCSA-N 0 0 238.287 2.332 20 5 BEBDRN C[C@@]1(O)C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000418989894 192091749 /nfs/dbraw/zinc/09/17/49/192091749.db2.gz CERQKVOKMZGMTO-DGFRNANFSA-N 0 0 240.234 2.059 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC[C@H]1CC12CC2 ZINC000418992210 192091795 /nfs/dbraw/zinc/09/17/95/192091795.db2.gz NVYWHDVXCVXSCA-MRVPVSSYSA-N 0 0 219.244 2.202 20 5 BEBDRN C[C@H](CNc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000136190986 345956908 /nfs/dbraw/zinc/95/69/08/345956908.db2.gz HAZRLUDSBNHZPG-MRVPVSSYSA-N 0 0 221.260 2.448 20 5 BEBDRN CC[C@@]1(O)CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000614532004 346189496 /nfs/dbraw/zinc/18/94/96/346189496.db2.gz XYIBDIMFISMLTQ-SNVBAGLBSA-N 0 0 242.300 2.008 20 5 BEBDRN CC[C@]1(O)CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000614532003 346189503 /nfs/dbraw/zinc/18/95/03/346189503.db2.gz XYIBDIMFISMLTQ-JTQLQIEISA-N 0 0 242.300 2.008 20 5 BEBDRN C[C@H](C[C@H](C)O)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000167407127 346244718 /nfs/dbraw/zinc/24/47/18/346244718.db2.gz LLEURDHEHSZQKC-SFYZADRCSA-N 0 0 242.250 2.305 20 5 BEBDRN Cc1cccc(C(=O)N[C@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000299093152 179023581 /nfs/dbraw/zinc/02/35/81/179023581.db2.gz USMHVSXSGCBITM-JTQLQIEISA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1cccc(C(=O)NC[C@@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000032388259 179018515 /nfs/dbraw/zinc/01/85/15/179018515.db2.gz SUTRHMJZJFLGGA-ZJUUUORDSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1cccc(C)c1Cn1ncc([N+](=O)[O-])c1N ZINC000127558332 179039411 /nfs/dbraw/zinc/03/94/11/179039411.db2.gz IWICPSAEISNDEZ-UHFFFAOYSA-N 0 0 246.270 2.039 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC(C)(C)C1 ZINC000162652321 346533556 /nfs/dbraw/zinc/53/35/56/346533556.db2.gz SRYUWXXAYGSPNI-MRVPVSSYSA-N 0 0 238.291 2.319 20 5 BEBDRN CN(c1sccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000588066063 346631018 /nfs/dbraw/zinc/63/10/18/346631018.db2.gz HYDBYKAVUQQGJH-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN Cc1cccc(NC[C@@H](O)C2CC2)c1[N+](=O)[O-] ZINC000218849658 179147433 /nfs/dbraw/zinc/14/74/33/179147433.db2.gz FQRCOUNEUXEHBS-LLVKDONJSA-N 0 0 236.271 2.086 20 5 BEBDRN O=[N+]([O-])c1cc(CN2CC(C3CC3)C2)cs1 ZINC000589736700 346734326 /nfs/dbraw/zinc/73/43/26/346734326.db2.gz BZLBSQAWHQMPSR-UHFFFAOYSA-N 0 0 238.312 2.498 20 5 BEBDRN Cc1ccc(F)cc1Cn1nccc1[N+](=O)[O-] ZINC000188191834 346794873 /nfs/dbraw/zinc/79/48/73/346794873.db2.gz JOOYSLRYYFUNLK-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[C@@H]1C ZINC000294217552 179206892 /nfs/dbraw/zinc/20/68/92/179206892.db2.gz RFUUFHAEBJSHPJ-ZJUUUORDSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC(C)C1 ZINC000277873982 179207072 /nfs/dbraw/zinc/20/70/72/179207072.db2.gz BZQZMAOZPBOHOK-UHFFFAOYSA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000309497756 229582235 /nfs/dbraw/zinc/58/22/35/229582235.db2.gz KRSUMGIEKIHOJU-DIYOJNKTSA-N 0 0 219.244 2.200 20 5 BEBDRN CC(C)(Nc1ccc([N+](=O)[O-])nc1)C(F)F ZINC000590701228 347489608 /nfs/dbraw/zinc/48/96/08/347489608.db2.gz QAHCBYPCNYRXGJ-UHFFFAOYSA-N 0 0 231.202 2.445 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCCC1(CO)CC1 ZINC000590724442 347495290 /nfs/dbraw/zinc/49/52/90/347495290.db2.gz WJNVVGXGPJIWAH-UHFFFAOYSA-N 0 0 242.300 2.231 20 5 BEBDRN CC1(C)COC[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000590726888 347496504 /nfs/dbraw/zinc/49/65/04/347496504.db2.gz FJMJMBWSCUCWNF-ZETCQYMHSA-N 0 0 242.300 2.493 20 5 BEBDRN C[C@H](CCO)CCNc1sccc1[N+](=O)[O-] ZINC000590706072 347497959 /nfs/dbraw/zinc/49/79/59/347497959.db2.gz JBRQWQZKEPGSSK-QMMMGPOBSA-N 0 0 244.316 2.477 20 5 BEBDRN CCOC1(C)CN(c2ccsc2[N+](=O)[O-])C1 ZINC000590706128 347498078 /nfs/dbraw/zinc/49/80/78/347498078.db2.gz FRGRTUPTEVVZHH-UHFFFAOYSA-N 0 0 242.300 2.272 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H](F)C1 ZINC000590707852 347498097 /nfs/dbraw/zinc/49/80/97/347498097.db2.gz AYHKHCRFUQABMR-ZETCQYMHSA-N 0 0 245.641 2.191 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCCC[C@H]2F)nc1 ZINC000591195509 347629403 /nfs/dbraw/zinc/62/94/03/347629403.db2.gz YYSJUUIFJMSCDI-RKDXNWHRSA-N 0 0 240.238 2.077 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@@H](C3CCC3)C2)nc1 ZINC000591204301 347630412 /nfs/dbraw/zinc/63/04/12/347630412.db2.gz QFMNRBULPVTBNP-SNVBAGLBSA-N 0 0 248.286 2.011 20 5 BEBDRN C[C@@H]1[C@H](C)CN(c2ccncc2[N+](=O)[O-])[C@H]1C ZINC000591369056 347654841 /nfs/dbraw/zinc/65/48/41/347654841.db2.gz QFFPIVYWBXDNCF-BBBLOLIVSA-N 0 0 235.287 2.471 20 5 BEBDRN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1C ZINC000592826902 347819504 /nfs/dbraw/zinc/81/95/04/347819504.db2.gz DTNNENQZKBCWKM-IONNQARKSA-N 0 0 249.270 2.231 20 5 BEBDRN Cc1c[nH]nc1COCc1ccc([N+](=O)[O-])cc1 ZINC000593237703 347873767 /nfs/dbraw/zinc/87/37/67/347873767.db2.gz QXVRTVUJCXGRBE-UHFFFAOYSA-N 0 0 247.254 2.343 20 5 BEBDRN Cc1ccccc1Oc1ncc([N+](=O)[O-])cn1 ZINC000302036807 179314202 /nfs/dbraw/zinc/31/42/02/179314202.db2.gz VBAJCBVXXRAWFA-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN CO[C@@H](C)CNc1ccsc1[N+](=O)[O-] ZINC000308597798 347890737 /nfs/dbraw/zinc/89/07/37/347890737.db2.gz NFZYKSVHCSFFRP-LURJTMIESA-N 0 0 216.262 2.103 20 5 BEBDRN Cc1cc(N(C)[C@H](C)CCO)ccc1[N+](=O)[O-] ZINC000593517028 347903302 /nfs/dbraw/zinc/90/33/02/347903302.db2.gz BYYRCYGIMUGCMH-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NCC[C@H](C)O ZINC000594702315 348102673 /nfs/dbraw/zinc/10/26/73/348102673.db2.gz FFRZQVSZFNDLMV-VIFPVBQESA-N 0 0 238.287 2.394 20 5 BEBDRN CCc1ccc([N+](=O)[O-])cc1NCC[C@@H](C)O ZINC000594704481 348103601 /nfs/dbraw/zinc/10/36/01/348103601.db2.gz JJHYGOSDCDQMGQ-SECBINFHSA-N 0 0 238.287 2.340 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000594881953 348119779 /nfs/dbraw/zinc/11/97/79/348119779.db2.gz LZOVYIAKONWQGW-MXWKQRLJSA-N 0 0 248.282 2.193 20 5 BEBDRN O=[N+]([O-])c1cnn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000594889046 348122398 /nfs/dbraw/zinc/12/23/98/348122398.db2.gz HVMTXZCRLKUAPO-BBBLOLIVSA-N 0 0 221.260 2.228 20 5 BEBDRN CC(C)=CCCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000594891665 348125920 /nfs/dbraw/zinc/12/59/20/348125920.db2.gz MOVSMFBNHJACPV-UHFFFAOYSA-N 0 0 236.271 2.421 20 5 BEBDRN CC(C)=CCCn1cccc([N+](=O)[O-])c1=O ZINC000594892295 348126529 /nfs/dbraw/zinc/12/65/29/348126529.db2.gz YEETYSBGJSRJAK-UHFFFAOYSA-N 0 0 222.244 2.113 20 5 BEBDRN C[C@H](O)CSCc1ccc(F)cc1[N+](=O)[O-] ZINC000594903510 348133966 /nfs/dbraw/zinc/13/39/66/348133966.db2.gz FMCNXBHTGYARQN-ZETCQYMHSA-N 0 0 245.275 2.348 20 5 BEBDRN CCN(Cc1onc(C)c1[N+](=O)[O-])CC1CC1 ZINC000595313448 348223911 /nfs/dbraw/zinc/22/39/11/348223911.db2.gz RRLMZUJFIAEZPW-UHFFFAOYSA-N 0 0 239.275 2.123 20 5 BEBDRN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595807795 348349061 /nfs/dbraw/zinc/34/90/61/348349061.db2.gz AORAGGZSLBGASI-UWVGGRQHSA-N 0 0 248.282 2.142 20 5 BEBDRN CC(C)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596051503 348433472 /nfs/dbraw/zinc/43/34/72/348433472.db2.gz SOEVIHNDJZRTAJ-UHFFFAOYSA-N 0 0 225.248 2.153 20 5 BEBDRN Cc1cc(N2CCO[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596065585 348436284 /nfs/dbraw/zinc/43/62/84/348436284.db2.gz SZQNIOAPBCGDEC-SSDOTTSWSA-N 0 0 242.300 2.190 20 5 BEBDRN CN(CC(C)(C)C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596103840 348440333 /nfs/dbraw/zinc/44/03/33/348440333.db2.gz HKILQSMKBIFLCC-UHFFFAOYSA-N 0 0 239.275 2.178 20 5 BEBDRN CC1(C)CCCC[C@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000596020985 348423722 /nfs/dbraw/zinc/42/37/22/348423722.db2.gz KQSMFRNSZUYEKW-VIFPVBQESA-N 0 0 238.291 2.403 20 5 BEBDRN C[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596088214 348443775 /nfs/dbraw/zinc/44/37/75/348443775.db2.gz MRSKBTPKYCMBSJ-SSDOTTSWSA-N 0 0 237.259 2.153 20 5 BEBDRN C[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CC1 ZINC000596088215 348443814 /nfs/dbraw/zinc/44/38/14/348443814.db2.gz MRSKBTPKYCMBSJ-ZETCQYMHSA-N 0 0 237.259 2.153 20 5 BEBDRN Cc1ccnc(S[C@H](C)[C@@H](C)O)c1[N+](=O)[O-] ZINC000078582419 179465135 /nfs/dbraw/zinc/46/51/35/179465135.db2.gz XPOHNMSBDBUOBI-HTQZYQBOSA-N 0 0 242.300 2.160 20 5 BEBDRN Cc1cc(NC[C@H](O)C(C)C)c([N+](=O)[O-])s1 ZINC000596135767 348447842 /nfs/dbraw/zinc/44/78/42/348447842.db2.gz LREQRMKZKBXTBA-VIFPVBQESA-N 0 0 244.316 2.394 20 5 BEBDRN Cc1cc(N[C@@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000596171617 348461149 /nfs/dbraw/zinc/46/11/49/348461149.db2.gz HMVVIZBAFQIORD-SSDOTTSWSA-N 0 0 228.273 2.166 20 5 BEBDRN Cc1cc(NCCCCO)c([N+](=O)[O-])s1 ZINC000596214525 348467519 /nfs/dbraw/zinc/46/75/19/348467519.db2.gz UERAYZOVQQGTKX-UHFFFAOYSA-N 0 0 230.289 2.149 20 5 BEBDRN Cc1cc(N2CC(C)C2)c([N+](=O)[O-])s1 ZINC000596219189 348469409 /nfs/dbraw/zinc/46/94/09/348469409.db2.gz PSURWQLXYQYXIQ-UHFFFAOYSA-N 0 0 212.274 2.421 20 5 BEBDRN CC1=C(C)CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596219856 348469756 /nfs/dbraw/zinc/46/97/56/348469756.db2.gz XTICXNUMKBWPJH-UHFFFAOYSA-N 0 0 249.270 2.242 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]1C(F)F ZINC000596248403 348472618 /nfs/dbraw/zinc/47/26/18/348472618.db2.gz MSUHWDLIVQWKDQ-MRVPVSSYSA-N 0 0 243.213 2.142 20 5 BEBDRN Cc1cnc(N2C[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000596251538 348474153 /nfs/dbraw/zinc/47/41/53/348474153.db2.gz XJEXVFDSWKYWMY-BDAKNGLRSA-N 0 0 221.260 2.143 20 5 BEBDRN CC/C=C/CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596253397 348474888 /nfs/dbraw/zinc/47/48/88/348474888.db2.gz SEKBAHHNUXCQBV-ONEGZZNKSA-N 0 0 249.270 2.072 20 5 BEBDRN Cc1ocnc1CNc1nccc(C)c1[N+](=O)[O-] ZINC000270570317 179452655 /nfs/dbraw/zinc/45/26/55/179452655.db2.gz ORFGUUWHKKLPAD-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC[C@@H](C)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000596416122 348540488 /nfs/dbraw/zinc/54/04/88/348540488.db2.gz PQIJSGMZTXHKPA-MRVPVSSYSA-N 0 0 240.307 2.485 20 5 BEBDRN CC[C@@H](C)CCNc1c([N+](=O)[O-])ncn1C ZINC000596417356 348541105 /nfs/dbraw/zinc/54/11/05/348541105.db2.gz YBWKXUIOOWYCFL-MRVPVSSYSA-N 0 0 226.280 2.176 20 5 BEBDRN CC(C)=CCCn1cc(C)c([N+](=O)[O-])n1 ZINC000596277552 348495043 /nfs/dbraw/zinc/49/50/43/348495043.db2.gz HOTPMCSYWBFQCP-UHFFFAOYSA-N 0 0 209.249 2.456 20 5 BEBDRN CO[C@@]1(C)C[C@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000596539401 348582400 /nfs/dbraw/zinc/58/24/00/348582400.db2.gz KFOJOCDKCAEDOI-KOLCDFICSA-N 0 0 240.234 2.323 20 5 BEBDRN CO[C@@]1(C)C[C@H]1Nc1ccsc1[N+](=O)[O-] ZINC000596539405 348582541 /nfs/dbraw/zinc/58/25/41/348582541.db2.gz KKUNVACJNOQLOX-APPZFPTMSA-N 0 0 228.273 2.246 20 5 BEBDRN Cc1ccc(NCCOCCF)c([N+](=O)[O-])c1 ZINC000596571069 348591290 /nfs/dbraw/zinc/59/12/90/348591290.db2.gz YMLNGHIDDPFBAB-UHFFFAOYSA-N 0 0 242.250 2.301 20 5 BEBDRN C[C@@]12COC[C@H]1CN(c1ccccc1[N+](=O)[O-])C2 ZINC000596483478 348558005 /nfs/dbraw/zinc/55/80/05/348558005.db2.gz PBNLSEDPAOVRLY-ZWNOBZJWSA-N 0 0 248.282 2.068 20 5 BEBDRN C[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])CO1 ZINC000401895957 348609068 /nfs/dbraw/zinc/60/90/68/348609068.db2.gz XAXSKDDYHMBUJZ-DTWKUNHWSA-N 0 0 222.244 2.184 20 5 BEBDRN Cc1cc(N2CCC3(COC3)C2)ccc1[N+](=O)[O-] ZINC000596531591 348568962 /nfs/dbraw/zinc/56/89/62/348568962.db2.gz VBJVHXXSYMBIPL-UHFFFAOYSA-N 0 0 248.282 2.130 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1N1CC[C@H]2C[C@H]2C1 ZINC000596508821 348572006 /nfs/dbraw/zinc/57/20/06/348572006.db2.gz FZDDGSSTSSIMAM-UWVGGRQHSA-N 0 0 248.282 2.450 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2C[C@H](O)C23CCC3)cc1 ZINC000596512176 348573434 /nfs/dbraw/zinc/57/34/34/348573434.db2.gz RJGYFELJCSNRCT-RYUDHWBXSA-N 0 0 248.282 2.310 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@H]1C[C@H](O)C12CCC2 ZINC000596514685 348575333 /nfs/dbraw/zinc/57/53/33/348575333.db2.gz XZBCVCAIYYSQGT-RYUDHWBXSA-N 0 0 248.282 2.310 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@H]1C[C@@H](O)C12CCC2 ZINC000596514684 348575436 /nfs/dbraw/zinc/57/54/36/348575436.db2.gz XZBCVCAIYYSQGT-NWDGAFQWSA-N 0 0 248.282 2.310 20 5 BEBDRN Cc1cnc(COc2ccccc2[N+](=O)[O-])o1 ZINC000357982664 179616129 /nfs/dbraw/zinc/61/61/29/179616129.db2.gz HELQYYCBUUHCHC-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN CC(C)OCCNc1ccc([N+](=O)[O-])s1 ZINC000308834830 348771282 /nfs/dbraw/zinc/77/12/82/348771282.db2.gz HQZAMSIGHADPQZ-UHFFFAOYSA-N 0 0 230.289 2.493 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CO[C@H](C)C1 ZINC000401940151 348780101 /nfs/dbraw/zinc/78/01/01/348780101.db2.gz OJJBCZDWXXRJEA-ZJUUUORDSA-N 0 0 236.271 2.493 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CC23CC3)c(F)c1 ZINC000425270374 490194762 /nfs/dbraw/zinc/19/47/62/490194762.db2.gz FZAAKCMUCDYTQR-MRVPVSSYSA-N 0 0 223.207 2.093 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000063446924 348858595 /nfs/dbraw/zinc/85/85/95/348858595.db2.gz ZAXSXUPUZZBUSU-POYBYMJQSA-N 0 0 238.218 2.328 20 5 BEBDRN Cc1nn(Cc2ccnc(C)c2)c(C)c1[N+](=O)[O-] ZINC000598707648 349023639 /nfs/dbraw/zinc/02/36/39/349023639.db2.gz YOSUIDHKIFITKV-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN C[C@H](CCO)CNc1ccsc1[N+](=O)[O-] ZINC000308887197 349025407 /nfs/dbraw/zinc/02/54/07/349025407.db2.gz WFRWQBSGFNWDNN-SSDOTTSWSA-N 0 0 230.289 2.087 20 5 BEBDRN CCCC[C@@H](C)N(C)c1c([N+](=O)[O-])ncn1C ZINC000290886677 349028222 /nfs/dbraw/zinc/02/82/22/349028222.db2.gz SUDGCSKQSFDXFE-SECBINFHSA-N 0 0 240.307 2.343 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC(F)(F)F)c(F)c1 ZINC000599028714 349079451 /nfs/dbraw/zinc/07/94/51/349079451.db2.gz VZOPLLIRWNOFDI-UHFFFAOYSA-N 0 0 239.128 2.103 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC3(C2)CCCO3)c1 ZINC000599144389 349104844 /nfs/dbraw/zinc/10/48/44/349104844.db2.gz FMZAKPDPPCYJGI-UHFFFAOYSA-N 0 0 248.282 2.272 20 5 BEBDRN Cc1cc(N2CC3(C2)CCCO3)ccc1[N+](=O)[O-] ZINC000599145691 349105106 /nfs/dbraw/zinc/10/51/06/349105106.db2.gz ZDZLAPXIVDXQIT-UHFFFAOYSA-N 0 0 248.282 2.272 20 5 BEBDRN CCC(F)(F)CNc1c([N+](=O)[O-])c(C)nn1C ZINC000599149803 349106043 /nfs/dbraw/zinc/10/60/43/349106043.db2.gz QNANQFNBHINLGQ-UHFFFAOYSA-N 0 0 248.233 2.094 20 5 BEBDRN Cc1cccc(N[C@@H]2CO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000402017924 349147217 /nfs/dbraw/zinc/14/72/17/349147217.db2.gz DJMVCLSAXZNUCI-UWVGGRQHSA-N 0 0 236.271 2.493 20 5 BEBDRN CO[C@H]1C[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000599205988 349118680 /nfs/dbraw/zinc/11/86/80/349118680.db2.gz KOXZKKJWGHVYQV-OCAPTIKFSA-N 0 0 242.300 2.493 20 5 BEBDRN CC(C)[C@@H](O)CNc1ccsc1[N+](=O)[O-] ZINC000308929434 349125401 /nfs/dbraw/zinc/12/54/01/349125401.db2.gz DXSWLMIUWXMKJW-QMMMGPOBSA-N 0 0 230.289 2.085 20 5 BEBDRN C[C@@H]1C[C@H]1Nc1c(Cl)cncc1[N+](=O)[O-] ZINC000308968798 349259534 /nfs/dbraw/zinc/25/95/34/349259534.db2.gz OBQMVSNBZPSZSB-IYSWYEEDSA-N 0 0 227.651 2.464 20 5 BEBDRN CC(C)(F)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000601689007 349324055 /nfs/dbraw/zinc/32/40/55/349324055.db2.gz QNYGFAHWWZJLDA-UHFFFAOYSA-N 0 0 240.234 2.073 20 5 BEBDRN CCn1ccc(NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000305922184 350105278 /nfs/dbraw/zinc/10/52/78/350105278.db2.gz AABWEGGKCVXBEE-UHFFFAOYSA-N 0 0 246.270 2.423 20 5 BEBDRN C[C@@H]1C[C@@H](Nc2ccsc2[N+](=O)[O-])CO1 ZINC000402279204 350107629 /nfs/dbraw/zinc/10/76/29/350107629.db2.gz FSQQPGRFZHJUFL-RNFRBKRXSA-N 0 0 228.273 2.246 20 5 BEBDRN Cc1nc(NCC2(C)CCC2)ncc1[N+](=O)[O-] ZINC000297349531 180015541 /nfs/dbraw/zinc/01/55/41/180015541.db2.gz BIKCXECVZSNDCO-UHFFFAOYSA-N 0 0 236.275 2.295 20 5 BEBDRN Cc1nc(NC2CCC2)ccc1[N+](=O)[O-] ZINC000161549703 180016546 /nfs/dbraw/zinc/01/65/46/180016546.db2.gz GXVYWKRRLNUPLO-UHFFFAOYSA-N 0 0 207.233 2.263 20 5 BEBDRN Cc1nc(NCCC2(C)CC2)ncc1[N+](=O)[O-] ZINC000296865062 180017880 /nfs/dbraw/zinc/01/78/80/180017880.db2.gz VQAQWAMPWNGAJK-UHFFFAOYSA-N 0 0 236.275 2.295 20 5 BEBDRN Cc1nc(N[C@H]2CCC2(C)C)ncc1[N+](=O)[O-] ZINC000295640724 180024941 /nfs/dbraw/zinc/02/49/41/180024941.db2.gz DOKVJYUFGAAUHK-VIFPVBQESA-N 0 0 236.275 2.294 20 5 BEBDRN Cc1cccc(C(=O)N2CC[C@@H]2C)c1[N+](=O)[O-] ZINC000604397742 350123207 /nfs/dbraw/zinc/12/32/07/350123207.db2.gz GLNYUWKYCHCZFI-VIFPVBQESA-N 0 0 234.255 2.138 20 5 BEBDRN Cc1ncn(Cc2ccccc2[N+](=O)[O-])c1C ZINC000106440595 180289750 /nfs/dbraw/zinc/28/97/50/180289750.db2.gz QPHPMOXZGOSGMP-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN Cc1nn(C)c(N[C@@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000133337915 180360566 /nfs/dbraw/zinc/36/05/66/180360566.db2.gz FXRKFVQPUGFRNT-VXNVDRBHSA-N 0 0 238.291 2.237 20 5 BEBDRN Cc1nn(C)c(N[C@H]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000133337742 180360602 /nfs/dbraw/zinc/36/06/02/180360602.db2.gz FXRKFVQPUGFRNT-CBAPKCEASA-N 0 0 238.291 2.237 20 5 BEBDRN Cc1nn([C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000294360383 180393522 /nfs/dbraw/zinc/39/35/22/180393522.db2.gz ZYVBWVINKSXVPG-SECBINFHSA-N 0 0 232.243 2.104 20 5 BEBDRN Cc1cc(NCC(F)(F)F)ncc1[N+](=O)[O-] ZINC000086002057 350852708 /nfs/dbraw/zinc/85/27/08/350852708.db2.gz GZQINEKRXYCTMD-UHFFFAOYSA-N 0 0 235.165 2.272 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H]1C(F)F ZINC000343847090 351000027 /nfs/dbraw/zinc/00/00/27/351000027.db2.gz IRKRUAIEBLMGQE-HTQZYQBOSA-N 0 0 243.213 2.364 20 5 BEBDRN COc1ccc(OCC(F)F)c([N+](=O)[O-])c1 ZINC000159626607 350955840 /nfs/dbraw/zinc/95/58/40/350955840.db2.gz BADWBDZSMNTKNB-UHFFFAOYSA-N 0 0 233.170 2.247 20 5 BEBDRN CCN(c1ccc([N+](=O)[O-])nc1)C(C)C ZINC000344416400 351125454 /nfs/dbraw/zinc/12/54/54/351125454.db2.gz IWHIDEGIEGTVDJ-UHFFFAOYSA-N 0 0 209.249 2.225 20 5 BEBDRN CCc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000355691188 351400809 /nfs/dbraw/zinc/40/08/09/351400809.db2.gz SILYJKQARJAPRT-UHFFFAOYSA-N 0 0 233.227 2.131 20 5 BEBDRN CC[C@H](Nc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000386693626 363027726 /nfs/dbraw/zinc/02/77/26/363027726.db2.gz KYMFCQSEXKXSMR-IUCAKERBSA-N 0 0 224.260 2.166 20 5 BEBDRN CC[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000386687951 363028027 /nfs/dbraw/zinc/02/80/27/363028027.db2.gz JUOODMOZLJLUPU-KWQFWETISA-N 0 0 224.260 2.166 20 5 BEBDRN CC1(Nc2ccc([N+](=O)[O-])nc2)CCC1 ZINC000228890124 351468822 /nfs/dbraw/zinc/46/88/22/351468822.db2.gz YBCUQUVJHLSLDF-UHFFFAOYSA-N 0 0 207.233 2.344 20 5 BEBDRN CC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000177985468 366075197 /nfs/dbraw/zinc/07/51/97/366075197.db2.gz FIMAYOILCUDGDL-UHFFFAOYSA-N 0 0 234.255 2.011 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1CC2CCC1CC2 ZINC000336794709 187568374 /nfs/dbraw/zinc/56/83/74/187568374.db2.gz FBTQFEHIMHOEHY-RTYFJBAXSA-N 0 0 247.298 2.402 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057835324 352177123 /nfs/dbraw/zinc/17/71/23/352177123.db2.gz MMTCYUHMKGQVCI-LDYMZIIASA-N 0 0 246.266 2.140 20 5 BEBDRN CC(C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411143363 191163664 /nfs/dbraw/zinc/16/36/64/191163664.db2.gz YSYLJIDLBMLQKI-NWDGAFQWSA-N 0 0 248.282 2.223 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2CC(F)(F)C2)cn1 ZINC000383210554 352548092 /nfs/dbraw/zinc/54/80/92/352548092.db2.gz PTCIHMLZPAUEFM-UHFFFAOYSA-N 0 0 243.213 2.447 20 5 BEBDRN CC(C)[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000020305721 188005670 /nfs/dbraw/zinc/00/56/70/188005670.db2.gz KGNRQSKBFPSMFC-QMMMGPOBSA-N 0 0 209.249 2.446 20 5 BEBDRN CC(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000045501932 353122833 /nfs/dbraw/zinc/12/28/33/353122833.db2.gz FZVSQIPLBNVNEU-UHFFFAOYSA-N 0 0 240.259 2.306 20 5 BEBDRN C/C=C(\C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000267597683 188023328 /nfs/dbraw/zinc/02/33/28/188023328.db2.gz SCEGSCQXLLALQF-YCRREMRBSA-N 0 0 234.255 2.177 20 5 BEBDRN C[C@@H](O)CCOc1ccc([N+](=O)[O-])cc1Cl ZINC000134046428 353157713 /nfs/dbraw/zinc/15/77/13/353157713.db2.gz OBOLSMBGRNEMBH-SSDOTTSWSA-N 0 0 245.662 2.398 20 5 BEBDRN COCCCNc1ccc([N+](=O)[O-])s1 ZINC000048999384 353162802 /nfs/dbraw/zinc/16/28/02/353162802.db2.gz HRTUFAWSFPIUIA-UHFFFAOYSA-N 0 0 216.262 2.105 20 5 BEBDRN CC(C)(CF)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000354423286 188235414 /nfs/dbraw/zinc/23/54/14/188235414.db2.gz XDKNUGOTSHLZCP-UHFFFAOYSA-N 0 0 240.234 2.073 20 5 BEBDRN CC(C)=CCCNc1ncc([N+](=O)[O-])cn1 ZINC000276802315 188266346 /nfs/dbraw/zinc/26/63/46/188266346.db2.gz QZOSYKIYOSLUOU-UHFFFAOYSA-N 0 0 222.248 2.153 20 5 BEBDRN C/C=C\C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000035326916 188278312 /nfs/dbraw/zinc/27/83/12/188278312.db2.gz NCMIKVHVDWZWIE-ARJAWSKDSA-N 0 0 220.228 2.418 20 5 BEBDRN O=Cc1ccc([N+](=O)[O-])c(OCCCF)c1 ZINC000088025414 188301472 /nfs/dbraw/zinc/30/14/72/188301472.db2.gz RQPVKAHYDGPVKB-UHFFFAOYSA-N 0 0 227.191 2.146 20 5 BEBDRN COc1ccc(CNc2ccon2)cc1[N+](=O)[O-] ZINC000083379933 188317213 /nfs/dbraw/zinc/31/72/13/188317213.db2.gz BHGOZWRLCCIKKC-UHFFFAOYSA-N 0 0 249.226 2.204 20 5 BEBDRN CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129707020 188331525 /nfs/dbraw/zinc/33/15/25/188331525.db2.gz ZAIZOSVUQFBRLV-UHFFFAOYSA-N 0 0 234.255 2.106 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC(C3CCC3)C2)s1 ZINC000343294486 353378137 /nfs/dbraw/zinc/37/81/37/353378137.db2.gz WSQRSBUAYQQBEM-UHFFFAOYSA-N 0 0 239.300 2.288 20 5 BEBDRN CC(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000253490482 188369802 /nfs/dbraw/zinc/36/98/02/188369802.db2.gz IVPAAWONINRQEF-UHFFFAOYSA-N 0 0 242.662 2.227 20 5 BEBDRN CC(C)Cc1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000265043004 188371494 /nfs/dbraw/zinc/37/14/94/188371494.db2.gz RCAQGTSUUDIKHN-UHFFFAOYSA-N 0 0 236.231 2.171 20 5 BEBDRN CC(C)[C@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000273670415 188377897 /nfs/dbraw/zinc/37/78/97/188377897.db2.gz XNBJZSHBILHBOU-SNVBAGLBSA-N 0 0 236.275 2.010 20 5 BEBDRN CC(C)=CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000276641558 188380669 /nfs/dbraw/zinc/38/06/69/188380669.db2.gz QVQJJTVZNZJPJQ-UHFFFAOYSA-N 0 0 237.259 2.009 20 5 BEBDRN CC(C)=CCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000284320924 188385509 /nfs/dbraw/zinc/38/55/09/188385509.db2.gz TXDOVIDBDASRJQ-UHFFFAOYSA-N 0 0 242.662 2.376 20 5 BEBDRN CC(C)c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000577907057 366100916 /nfs/dbraw/zinc/10/09/16/366100916.db2.gz INJUZYAEZFVQKD-UHFFFAOYSA-N 0 0 236.231 2.107 20 5 BEBDRN CCCN(C(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000171487167 535243037 /nfs/dbraw/zinc/24/30/37/535243037.db2.gz OFOLPVAXVHJCOM-UHFFFAOYSA-N 0 0 238.243 2.202 20 5 BEBDRN C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000335922610 134014702 /nfs/dbraw/zinc/01/47/02/134014702.db2.gz ZAVUEJSJNWDHJY-ZETCQYMHSA-N 0 0 240.284 2.138 20 5 BEBDRN O=[N+]([O-])c1ncccc1OCc1cncs1 ZINC001640641770 1172180489 /nfs/dbraw/zinc/18/04/89/1172180489.db2.gz NOZSRLAHOVGXCJ-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN CC1(C)CCC[C@@H](n2nccc2[N+](=O)[O-])C1=O ZINC000412996235 191332789 /nfs/dbraw/zinc/33/27/89/191332789.db2.gz UEGVZZUKWJJKEC-MRVPVSSYSA-N 0 0 237.259 2.112 20 5 BEBDRN CC1(C)CCC[C@H](n2cnc([N+](=O)[O-])c2)C1=O ZINC000412985457 191330221 /nfs/dbraw/zinc/33/02/21/191330221.db2.gz FTMDMFBROKJVFG-QMMMGPOBSA-N 0 0 237.259 2.112 20 5 BEBDRN Cc1c(C(=O)NC[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000032394077 355223432 /nfs/dbraw/zinc/22/34/32/355223432.db2.gz WXPYBOIUYSTFRE-SCZZXKLOSA-N 0 0 248.282 2.289 20 5 BEBDRN CC1(CNc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413170035 191359650 /nfs/dbraw/zinc/35/96/50/191359650.db2.gz LJIADZHXHNWRRE-UHFFFAOYSA-N 0 0 225.223 2.341 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CCSC2)c(F)c1 ZINC000413168664 191360092 /nfs/dbraw/zinc/36/00/92/191360092.db2.gz MYRUZHZAOJNERD-LURJTMIESA-N 0 0 243.263 2.046 20 5 BEBDRN COCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413023764 191343967 /nfs/dbraw/zinc/34/39/67/191343967.db2.gz KJKLXDYANWFAMJ-UHFFFAOYSA-N 0 0 247.254 2.201 20 5 BEBDRN COCC[C@@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000413486682 191387351 /nfs/dbraw/zinc/38/73/51/191387351.db2.gz YJICLNBPNSLTIM-SECBINFHSA-N 0 0 239.275 2.074 20 5 BEBDRN C[C@@H]1CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413295859 191369246 /nfs/dbraw/zinc/36/92/46/191369246.db2.gz PVTBWLXTDBFDNZ-MUWHJKNJSA-N 0 0 225.223 2.339 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1OCCCF ZINC000349945961 355533497 /nfs/dbraw/zinc/53/34/97/355533497.db2.gz JNJAKCVYCBOQNC-UHFFFAOYSA-N 0 0 234.614 2.382 20 5 BEBDRN O=[N+]([O-])c1ncccc1OCc1nccs1 ZINC000162664416 202025806 /nfs/dbraw/zinc/02/58/06/202025806.db2.gz SMLWPNOBGDBSLS-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN CCc1noc(-c2cccc([N+](=O)[O-])c2OC)n1 ZINC000345684066 355868376 /nfs/dbraw/zinc/86/83/76/355868376.db2.gz CZQSPXPXDOFHOR-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(N2CCCC2)c1 ZINC000034420914 355889247 /nfs/dbraw/zinc/88/92/47/355889247.db2.gz FFSRQFCMAMEMOV-UHFFFAOYSA-N 0 0 222.244 2.204 20 5 BEBDRN Cc1nn(C)c(NCCC(C)(C)C)c1[N+](=O)[O-] ZINC000049227566 356385490 /nfs/dbraw/zinc/38/54/90/356385490.db2.gz GUNHTPYVQZNXEQ-UHFFFAOYSA-N 0 0 240.307 2.485 20 5 BEBDRN C[C@H]1CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000336143364 134101252 /nfs/dbraw/zinc/10/12/52/134101252.db2.gz QLVRBQLQHMGWCA-KWQFWETISA-N 0 0 234.255 2.123 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1N1CC=CCC1)CCN2 ZINC000618159493 356425855 /nfs/dbraw/zinc/42/58/55/356425855.db2.gz MSTOBJAEDWBACR-UHFFFAOYSA-N 0 0 245.282 2.329 20 5 BEBDRN Cc1nc(N[C@H](C)CC2CC2)ncc1[N+](=O)[O-] ZINC000450328363 202130326 /nfs/dbraw/zinc/13/03/26/202130326.db2.gz HJIJVTUEZCDHLA-SSDOTTSWSA-N 0 0 236.275 2.294 20 5 BEBDRN CCCn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000162979772 202126181 /nfs/dbraw/zinc/12/61/81/202126181.db2.gz OACJMZSPACUNAO-UHFFFAOYSA-N 0 0 232.243 2.263 20 5 BEBDRN CC[C@@H](Nc1ncccc1[N+](=O)[O-])C(F)F ZINC000450557155 202197194 /nfs/dbraw/zinc/19/71/94/202197194.db2.gz CNIAANFZEGVJPX-ZCFIWIBFSA-N 0 0 231.202 2.445 20 5 BEBDRN Cc1nc(NC(CF)CF)ccc1[N+](=O)[O-] ZINC000450589192 202205608 /nfs/dbraw/zinc/20/56/08/202205608.db2.gz KUGOHFLYSJZRPR-UHFFFAOYSA-N 0 0 231.202 2.018 20 5 BEBDRN O=[N+]([O-])c1ccccc1/C=C/CN1CC(F)C1 ZINC000346327730 357020922 /nfs/dbraw/zinc/02/09/22/357020922.db2.gz LTAJSHGJXYESRU-HWKANZROSA-N 0 0 236.246 2.262 20 5 BEBDRN CCc1cc(CNc2cccnc2[N+](=O)[O-])on1 ZINC000610160224 357263444 /nfs/dbraw/zinc/26/34/44/357263444.db2.gz BHLISSJLZFEEQA-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN C[C@H](Nc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000189682086 357656935 /nfs/dbraw/zinc/65/69/35/357656935.db2.gz ASMLTQPXXAIXNE-YFKPBYRVSA-N 0 0 213.262 2.262 20 5 BEBDRN CC1(C)CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000618984018 357997611 /nfs/dbraw/zinc/99/76/11/357997611.db2.gz PPHITDHETKBGPH-UHFFFAOYSA-N 0 0 241.678 2.489 20 5 BEBDRN CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000618972403 357996642 /nfs/dbraw/zinc/99/66/42/357996642.db2.gz ZKVRKPFSYLMMKD-UHFFFAOYSA-N 0 0 249.270 2.469 20 5 BEBDRN CC[C@H](C)[C@@H](C)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001641159748 1172231326 /nfs/dbraw/zinc/23/13/26/1172231326.db2.gz FAHUHGAVUYOAQZ-NKWVEPMBSA-N 0 0 242.235 2.307 20 5 BEBDRN CN(CC1CC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000055521294 363594988 /nfs/dbraw/zinc/59/49/88/363594988.db2.gz LZEHTPUYZGXUDX-UHFFFAOYSA-N 0 0 240.284 2.138 20 5 BEBDRN CC1=CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000584707637 358163015 /nfs/dbraw/zinc/16/30/15/358163015.db2.gz GZNDNDFOKCPRLL-UHFFFAOYSA-N 0 0 237.234 2.285 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2noc(C3(F)CC3)n2)o1 ZINC000351372792 358188943 /nfs/dbraw/zinc/18/89/43/358188943.db2.gz GMCAGUYRJRGGHU-UHFFFAOYSA-N 0 0 239.162 2.196 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@H]2C2CC2)s1 ZINC000450645641 202223377 /nfs/dbraw/zinc/22/33/77/202223377.db2.gz PMDCTUAFMDTJAQ-ZETCQYMHSA-N 0 0 225.273 2.040 20 5 BEBDRN CC[C@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000055798110 363600924 /nfs/dbraw/zinc/60/09/24/363600924.db2.gz QWXQJLJYRAVOLF-VIFPVBQESA-N 0 0 236.271 2.257 20 5 BEBDRN CN(CCC1CC1)c1cccnc1[N+](=O)[O-] ZINC000610958153 358340705 /nfs/dbraw/zinc/34/07/05/358340705.db2.gz BMHCYOMQEFODEO-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN O=[N+]([O-])c1ccccc1CNCc1nccs1 ZINC000048659934 358646869 /nfs/dbraw/zinc/64/68/69/358646869.db2.gz VVJWQGCPFAXYCD-UHFFFAOYSA-N 0 0 249.295 2.341 20 5 BEBDRN Cc1cnc(Oc2cccc([N+](=O)[O-])c2)nc1 ZINC000611142799 358884530 /nfs/dbraw/zinc/88/45/30/358884530.db2.gz ZTHDMZMOQOFMHF-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN O=[N+]([O-])c1ncn(CCC2=CCCCC2)n1 ZINC000450808881 202273074 /nfs/dbraw/zinc/27/30/74/202273074.db2.gz JQISTBCQIITIJG-UHFFFAOYSA-N 0 0 222.248 2.077 20 5 BEBDRN CCc1ncc(CNc2ccc([N+](=O)[O-])nc2)o1 ZINC000450845091 202285894 /nfs/dbraw/zinc/28/58/94/202285894.db2.gz JQWFJGKYDVPNTC-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CCOC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000169205143 359775255 /nfs/dbraw/zinc/77/52/55/359775255.db2.gz XJUOEPZNEMWTHD-MRVPVSSYSA-N 0 0 223.228 2.261 20 5 BEBDRN Cc1cc(NC[C@@H]2C[C@H]2C2CC2)ncc1[N+](=O)[O-] ZINC000450922915 202309509 /nfs/dbraw/zinc/30/95/09/202309509.db2.gz BBQMIONRKRAEMO-QWRGUYRKSA-N 0 0 247.298 2.178 20 5 BEBDRN Cc1nn(COC2CCCC2)cc1[N+](=O)[O-] ZINC000450954015 202319141 /nfs/dbraw/zinc/31/91/41/202319141.db2.gz AHEBRCZERVAUSZ-UHFFFAOYSA-N 0 0 225.248 2.016 20 5 BEBDRN Cc1nn(CCC(C)(F)F)cc1[N+](=O)[O-] ZINC000450960653 202321951 /nfs/dbraw/zinc/32/19/51/202321951.db2.gz PBJWWMMGHSRLBT-UHFFFAOYSA-N 0 0 219.191 2.145 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1CSC1CCC1 ZINC000450986849 202326733 /nfs/dbraw/zinc/32/67/33/202326733.db2.gz RVRJFBZCPUIKMM-UHFFFAOYSA-N 0 0 227.289 2.114 20 5 BEBDRN C[C@@H](CO)SCc1ccc(F)cc1[N+](=O)[O-] ZINC000578523666 366590255 /nfs/dbraw/zinc/59/02/55/366590255.db2.gz KLZBEAQBMPOSJR-ZETCQYMHSA-N 0 0 245.275 2.348 20 5 BEBDRN C[C@@H]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cn2)C1 ZINC000428661665 201032196 /nfs/dbraw/zinc/03/21/96/201032196.db2.gz UWYZFKCWZIRDNL-BDAKNGLRSA-N 0 0 236.275 2.010 20 5 BEBDRN Cc1nn(Cc2cnccc2C)c(C)c1[N+](=O)[O-] ZINC000433393194 201183654 /nfs/dbraw/zinc/18/36/54/201183654.db2.gz BTKJLZMNQZBKAJ-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN Cc1ccc(NC[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000037059846 361611737 /nfs/dbraw/zinc/61/17/37/361611737.db2.gz ZZNDXFOODCNKHF-JTQLQIEISA-N 0 0 236.271 2.352 20 5 BEBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CCC1CC1 ZINC000437625685 201362491 /nfs/dbraw/zinc/36/24/91/201362491.db2.gz PQOMFPSRYIRLBB-UHFFFAOYSA-N 0 0 248.238 2.303 20 5 BEBDRN Cc1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000037401096 363998075 /nfs/dbraw/zinc/99/80/75/363998075.db2.gz QXCYVHJJJCWVBA-JTQLQIEISA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1oncc1COc1ncc(C)cc1[N+](=O)[O-] ZINC000181767150 366846637 /nfs/dbraw/zinc/84/66/37/366846637.db2.gz OQQPWHVUJWSMGM-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN NC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000181790206 366849140 /nfs/dbraw/zinc/84/91/40/366849140.db2.gz MQBWXMBWKMRSPX-UHFFFAOYSA-N 0 0 249.148 2.104 20 5 BEBDRN Cc1nn(Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000181816855 366850595 /nfs/dbraw/zinc/85/05/95/366850595.db2.gz KHZKUSUXYSRQJY-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCC(C)(C)O)c1 ZINC000037696445 364525390 /nfs/dbraw/zinc/52/53/90/364525390.db2.gz HEIYXJXUQJFFMM-UHFFFAOYSA-N 0 0 225.244 2.053 20 5 BEBDRN CC[C@H](O)COc1cc([N+](=O)[O-])ccc1C ZINC000037696650 364525731 /nfs/dbraw/zinc/52/57/31/364525731.db2.gz SCDHDJLWKOGEBY-JTQLQIEISA-N 0 0 225.244 2.053 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCCC1CC(O)C1 ZINC000432870456 192968182 /nfs/dbraw/zinc/96/81/82/192968182.db2.gz CUKFXGFKYRQHMC-UHFFFAOYSA-N 0 0 236.271 2.168 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1NC[C@H](C)OC ZINC000573624490 364877825 /nfs/dbraw/zinc/87/78/25/364877825.db2.gz MTMOYLFDBZIVKO-QMMMGPOBSA-N 0 0 240.259 2.050 20 5 BEBDRN CC(=O)c1nccn1Cc1ccccc1[N+](=O)[O-] ZINC000439187961 201437386 /nfs/dbraw/zinc/43/73/86/201437386.db2.gz IZDUWHSONGXAQA-UHFFFAOYSA-N 0 0 245.238 2.042 20 5 BEBDRN CC(C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000580870279 367191779 /nfs/dbraw/zinc/19/17/79/367191779.db2.gz WTFHQROFBLCURC-VIFPVBQESA-N 0 0 236.271 2.223 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(Nc2c[nH]cn2)n1 ZINC000581026062 367241455 /nfs/dbraw/zinc/24/14/55/367241455.db2.gz PWERVLWBXDXDLT-UHFFFAOYSA-N 0 0 233.231 2.073 20 5 BEBDRN CCO[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000581230097 367301209 /nfs/dbraw/zinc/30/12/09/367301209.db2.gz MDRQUMDRNLNZER-ZYHUDNBSSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1ccc(NCc2ccncn2)c([N+](=O)[O-])c1 ZINC000054789270 367364789 /nfs/dbraw/zinc/36/47/89/367364789.db2.gz CKVWKAPZVRKNJR-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC1(C)CCCN1c1ncccc1[N+](=O)[O-] ZINC000581522411 367539897 /nfs/dbraw/zinc/53/98/97/367539897.db2.gz FNYSIDXUQTVOLD-UHFFFAOYSA-N 0 0 221.260 2.369 20 5 BEBDRN O=C(Nc1ccncc1)c1ccc([N+](=O)[O-])s1 ZINC000017585067 367957143 /nfs/dbraw/zinc/95/71/43/367957143.db2.gz GTQXTDCVDCDDEA-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN O=C(NCC1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000033053995 368261826 /nfs/dbraw/zinc/26/18/26/368261826.db2.gz XIIAQWXDOQEZGV-UHFFFAOYSA-N 0 0 238.243 2.108 20 5 BEBDRN O=C(c1csc([N+](=O)[O-])c1)N1CCCCC1 ZINC000042565006 368312682 /nfs/dbraw/zinc/31/26/82/368312682.db2.gz ZDSQURWFCPSFKR-UHFFFAOYSA-N 0 0 240.284 2.282 20 5 BEBDRN CSCC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000063447060 368584135 /nfs/dbraw/zinc/58/41/35/368584135.db2.gz UNDAAMQVBDEQFM-UHFFFAOYSA-N 0 0 244.247 2.035 20 5 BEBDRN CC(C)CN(C)c1ncccc1[N+](=O)[O-] ZINC000065945653 368635123 /nfs/dbraw/zinc/63/51/23/368635123.db2.gz HVVWZWMRMKZWAO-UHFFFAOYSA-N 0 0 209.249 2.082 20 5 BEBDRN COCCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC000066372229 368645754 /nfs/dbraw/zinc/64/57/54/368645754.db2.gz VPJMQWQZRBOUHV-UHFFFAOYSA-N 0 0 224.260 2.068 20 5 BEBDRN CC[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H]1C ZINC001642596460 1172375186 /nfs/dbraw/zinc/37/51/86/1172375186.db2.gz KUGFDPMMGIGAPY-RKDXNWHRSA-N 0 0 236.275 2.010 20 5 BEBDRN CC[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000387891932 369387886 /nfs/dbraw/zinc/38/78/86/369387886.db2.gz YNOISESTIXHRMM-BDAKNGLRSA-N 0 0 221.260 2.448 20 5 BEBDRN CCN(c1ncc([N+](=O)[O-])cn1)C1CCCC1 ZINC000273647753 369397308 /nfs/dbraw/zinc/39/73/08/369397308.db2.gz TYXZXGPECZHGNT-UHFFFAOYSA-N 0 0 236.275 2.154 20 5 BEBDRN COCCCOc1cccc([N+](=O)[O-])c1 ZINC000117924095 370984372 /nfs/dbraw/zinc/98/43/72/370984372.db2.gz NMCYSPLLARNSEJ-UHFFFAOYSA-N 0 0 211.217 2.010 20 5 BEBDRN CCc1noc(CNc2cccc([N+](=O)[O-])c2)n1 ZINC000073626327 369642279 /nfs/dbraw/zinc/64/22/79/369642279.db2.gz VQXHIFOHXPJHFY-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CCC[C@@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000309798448 370261740 /nfs/dbraw/zinc/26/17/40/370261740.db2.gz VYFPCBFBSRGGIY-SSDOTTSWSA-N 0 0 224.264 2.173 20 5 BEBDRN CC(C)[C@@H](C)CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000310203574 370321615 /nfs/dbraw/zinc/32/16/15/370321615.db2.gz CHPOMRDHNZMMAF-QMMMGPOBSA-N 0 0 238.291 2.276 20 5 BEBDRN C/C=C/C[C@H](CO)Nc1ccc([N+](=O)[O-])s1 ZINC000309975012 370283438 /nfs/dbraw/zinc/28/34/38/370283438.db2.gz SBEQAASCLNDDFW-UFUPEUMYSA-N 0 0 242.300 2.395 20 5 BEBDRN CCOCCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000349852634 370573306 /nfs/dbraw/zinc/57/33/06/370573306.db2.gz FIAMWDVPBCCHNP-UHFFFAOYSA-N 0 0 246.650 2.059 20 5 BEBDRN CCc1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000349867993 370606021 /nfs/dbraw/zinc/60/60/21/370606021.db2.gz ZSSBGHDEGILKEV-UHFFFAOYSA-N 0 0 237.190 2.346 20 5 BEBDRN C[C@@H]1C[C@@H](C)N1c1ncc([N+](=O)[O-])s1 ZINC000619698139 370583741 /nfs/dbraw/zinc/58/37/41/370583741.db2.gz IGNNQKAGIMCCGG-PHDIDXHHSA-N 0 0 213.262 2.038 20 5 BEBDRN CC(C)(O)CCOc1ccc(F)cc1[N+](=O)[O-] ZINC000092800843 371122524 /nfs/dbraw/zinc/12/25/24/371122524.db2.gz SJAPJNPBOVVDCV-UHFFFAOYSA-N 0 0 243.234 2.274 20 5 BEBDRN COCc1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000351150058 371611698 /nfs/dbraw/zinc/61/16/98/371611698.db2.gz SHEUNXZHOOCBBE-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN C/C=C\CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000600488888 371672735 /nfs/dbraw/zinc/67/27/35/371672735.db2.gz CHNZFLFHYUTKAC-ARJAWSKDSA-N 0 0 240.284 2.271 20 5 BEBDRN CC1(C)CC(Cn2cc([N+](=O)[O-])cn2)C1 ZINC000600515920 371678338 /nfs/dbraw/zinc/67/83/38/371678338.db2.gz KHKUQIQMBZKEDM-UHFFFAOYSA-N 0 0 209.249 2.228 20 5 BEBDRN C[C@H]1C[C@H]1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000600535545 371681651 /nfs/dbraw/zinc/68/16/51/371681651.db2.gz JBDWQDJKNSBPNK-BQBZGAKWSA-N 0 0 242.662 2.066 20 5 BEBDRN O=[N+]([O-])c1ccnn1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000600520854 371679719 /nfs/dbraw/zinc/67/97/19/371679719.db2.gz SJQQWTRCZGFCFF-IVZWLZJFSA-N 0 0 219.244 2.004 20 5 BEBDRN C[C@@H]1C[C@@H]1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000600535548 371681768 /nfs/dbraw/zinc/68/17/68/371681768.db2.gz JBDWQDJKNSBPNK-RNFRBKRXSA-N 0 0 242.662 2.066 20 5 BEBDRN COC(=O)CCSc1ccsc1[N+](=O)[O-] ZINC000600986584 371717297 /nfs/dbraw/zinc/71/72/97/371717297.db2.gz IZCGQHXSRHFTQM-UHFFFAOYSA-N 0 0 247.297 2.312 20 5 BEBDRN C[C@H]1OCC[C@@H]1COc1ccccc1[N+](=O)[O-] ZINC000601068890 371724316 /nfs/dbraw/zinc/72/43/16/371724316.db2.gz GXXPGNMLAXTMOP-NXEZZACHSA-N 0 0 237.255 2.399 20 5 BEBDRN C[C@H]1OCC[C@@H]1COc1cccc([N+](=O)[O-])c1 ZINC000601069400 371724432 /nfs/dbraw/zinc/72/44/32/371724432.db2.gz IEFFDYDWUYTLRU-NXEZZACHSA-N 0 0 237.255 2.399 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NCc1cccs1 ZINC000029165331 371724695 /nfs/dbraw/zinc/72/46/95/371724695.db2.gz KHRJSGNQLRXHLO-UHFFFAOYSA-N 0 0 238.272 2.002 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N1CCC[C@H](F)C1 ZINC000601160228 371732477 /nfs/dbraw/zinc/73/24/77/371732477.db2.gz SHHIAIUUUKFHKN-ZETCQYMHSA-N 0 0 243.213 2.067 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H]2C(F)(F)F)nc1 ZINC000601190111 371735267 /nfs/dbraw/zinc/73/52/67/371735267.db2.gz ZUHHJSQATKWVRX-ZETCQYMHSA-N 0 0 247.176 2.131 20 5 BEBDRN CC(C)(F)CNc1ccc([N+](=O)[O-])nc1 ZINC000601206315 371736751 /nfs/dbraw/zinc/73/67/51/371736751.db2.gz VGSSBIDQGDVGFZ-UHFFFAOYSA-N 0 0 213.212 2.150 20 5 BEBDRN Cc1cnc(OC[C@@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000600538285 371682023 /nfs/dbraw/zinc/68/20/23/371682023.db2.gz UPQCSUSYAZSRRG-BDAKNGLRSA-N 0 0 222.244 2.333 20 5 BEBDRN C[C@@H]1C[C@H]1COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000600534307 371683215 /nfs/dbraw/zinc/68/32/15/371683215.db2.gz VDZDCDKMMPRTAJ-SCZZXKLOSA-N 0 0 237.255 2.122 20 5 BEBDRN C[C@H]1C[C@H]1CSCCn1cc([N+](=O)[O-])cn1 ZINC000600644397 371692034 /nfs/dbraw/zinc/69/20/34/371692034.db2.gz GYQLDWFQXSWYOC-IUCAKERBSA-N 0 0 241.316 2.181 20 5 BEBDRN Cc1nn(Cc2cccc([N+](=O)[O-])c2)c(C)c1N ZINC000602421477 371802987 /nfs/dbraw/zinc/80/29/87/371802987.db2.gz LBWKIIILPAQOQJ-UHFFFAOYSA-N 0 0 246.270 2.039 20 5 BEBDRN Cc1cc(N(C)Cc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000603012151 371862936 /nfs/dbraw/zinc/86/29/36/371862936.db2.gz DQDGLEXURXKRLJ-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN CCC(F)(F)Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000603333044 371886291 /nfs/dbraw/zinc/88/62/91/371886291.db2.gz MPIGTPMYJDQWIH-UHFFFAOYSA-N 0 0 246.213 2.110 20 5 BEBDRN CCC(F)(F)Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000603333026 371886431 /nfs/dbraw/zinc/88/64/31/371886431.db2.gz MFOSDPAZRQLVEV-UHFFFAOYSA-N 0 0 246.213 2.110 20 5 BEBDRN Cn1cc(CSC2CCC2)c([N+](=O)[O-])n1 ZINC000603336620 371886510 /nfs/dbraw/zinc/88/65/10/371886510.db2.gz RHIAFCWJAZOGBG-UHFFFAOYSA-N 0 0 227.289 2.114 20 5 BEBDRN C[C@H](SCCO)c1ccccc1[N+](=O)[O-] ZINC000603314387 371883134 /nfs/dbraw/zinc/88/31/34/371883134.db2.gz ZEODLFODBLIUPG-QMMMGPOBSA-N 0 0 227.285 2.381 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC=CC1 ZINC000602756002 371838340 /nfs/dbraw/zinc/83/83/40/371838340.db2.gz IRBDSQOTGOQNOE-UHFFFAOYSA-N 0 0 247.254 2.307 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Oc1cnccn1 ZINC000603863647 371936052 /nfs/dbraw/zinc/93/60/52/371936052.db2.gz REBJZMPVLCNIHR-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN CC(C)CCN(C)c1cccnc1[N+](=O)[O-] ZINC000603871913 371937629 /nfs/dbraw/zinc/93/76/29/371937629.db2.gz PKVUNJLVYKRVSM-UHFFFAOYSA-N 0 0 223.276 2.472 20 5 BEBDRN CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1 ZINC001642917460 1172418680 /nfs/dbraw/zinc/41/86/80/1172418680.db2.gz ZSQLYADXXSFGPM-UHFFFAOYSA-N 0 0 246.625 2.023 20 5 BEBDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)C(F)F ZINC000603423641 371893945 /nfs/dbraw/zinc/89/39/45/371893945.db2.gz GWGPYHUEDHYTAU-SCSAIBSYSA-N 0 0 235.165 2.194 20 5 BEBDRN Cc1nc(COc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000030517792 371931602 /nfs/dbraw/zinc/93/16/02/371931602.db2.gz SCFHYGQACMTKPV-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CCCCN(C)c1cccnc1[N+](=O)[O-] ZINC000603836744 371932977 /nfs/dbraw/zinc/93/29/77/371932977.db2.gz RVOIHWGKXLKWKP-UHFFFAOYSA-N 0 0 209.249 2.226 20 5 BEBDRN C[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000603836992 371933112 /nfs/dbraw/zinc/93/31/12/371933112.db2.gz JHFBSPOCCSWTRG-SECBINFHSA-N 0 0 221.260 2.226 20 5 BEBDRN Cc1cc(C(=O)N2CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000604397744 371974541 /nfs/dbraw/zinc/97/45/41/371974541.db2.gz GNVBZNWPZVOGAE-VIFPVBQESA-N 0 0 234.255 2.138 20 5 BEBDRN CCCCSCc1c([N+](=O)[O-])ncn1C ZINC000357008527 372143866 /nfs/dbraw/zinc/14/38/66/372143866.db2.gz ARIVCJQZARCDHS-UHFFFAOYSA-N 0 0 229.305 2.362 20 5 BEBDRN Cc1ccnc(N[C@H](C)c2ncc[nH]2)c1[N+](=O)[O-] ZINC000139849252 372206153 /nfs/dbraw/zinc/20/61/53/372206153.db2.gz UVBHKESYEINANO-MRVPVSSYSA-N 0 0 247.258 2.194 20 5 BEBDRN O=C(COc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000278239229 182001532 /nfs/dbraw/zinc/00/15/32/182001532.db2.gz KRJOBBPQNKIKOZ-UHFFFAOYSA-N 0 0 235.239 2.343 20 5 BEBDRN C[C@@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000068045574 372913176 /nfs/dbraw/zinc/91/31/76/372913176.db2.gz NOLNMULQVNGMPB-SECBINFHSA-N 0 0 221.260 2.369 20 5 BEBDRN CC(C)(C)CNc1ncccc1[N+](=O)[O-] ZINC000040494113 373333207 /nfs/dbraw/zinc/33/32/07/373333207.db2.gz UZMDZLJBIQFLKJ-UHFFFAOYSA-N 0 0 209.249 2.448 20 5 BEBDRN O=C(NC1CCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000268157907 182106943 /nfs/dbraw/zinc/10/69/43/182106943.db2.gz OMDIIACXYYSNFA-UHFFFAOYSA-N 0 0 238.218 2.016 20 5 BEBDRN O=C(NC1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000002645308 182110730 /nfs/dbraw/zinc/11/07/30/182110730.db2.gz UCYIAWGGDNXFTP-UHFFFAOYSA-N 0 0 240.284 2.329 20 5 BEBDRN O=C(NCCC1=CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000270015505 182151091 /nfs/dbraw/zinc/15/10/91/182151091.db2.gz NYDYSPIGYUAWGA-UHFFFAOYSA-N 0 0 249.270 2.153 20 5 BEBDRN C[C@@H](Cn1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000042106036 374248688 /nfs/dbraw/zinc/24/86/88/374248688.db2.gz OUNYHMUBJBXMCZ-JTQLQIEISA-N 0 0 246.270 2.292 20 5 BEBDRN O=C(NCc1ccoc1)c1ccccc1[N+](=O)[O-] ZINC000045784094 182267212 /nfs/dbraw/zinc/26/72/12/182267212.db2.gz QKFCHUGKRIZBRC-UHFFFAOYSA-N 0 0 246.222 2.118 20 5 BEBDRN O=[N+]([O-])c1cnn(CCSCCC2CC2)c1 ZINC000437943012 206072606 /nfs/dbraw/zinc/07/26/06/206072606.db2.gz PXUBBSMAMVLQCO-UHFFFAOYSA-N 0 0 241.316 2.325 20 5 BEBDRN O=C(Nc1cccc(F)c1)c1ccc([N+](=O)[O-])[nH]1 ZINC000336343564 182369853 /nfs/dbraw/zinc/36/98/53/182369853.db2.gz WRMVLNVETMOTAM-UHFFFAOYSA-N 0 0 249.201 2.314 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1C2CCC1CC2 ZINC000090623824 182664739 /nfs/dbraw/zinc/66/47/39/182664739.db2.gz OLBNDIWDLFQEPP-UHFFFAOYSA-N 0 0 246.266 2.362 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1OCCCO ZINC000035650153 182923194 /nfs/dbraw/zinc/92/31/94/182923194.db2.gz SPALOAYIDBENJA-UHFFFAOYSA-N 0 0 231.635 2.009 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(N2CCCC2)c(F)c1 ZINC000090557829 182923663 /nfs/dbraw/zinc/92/36/63/182923663.db2.gz ORLRWVXHYLIGOF-UHFFFAOYSA-N 0 0 228.198 2.473 20 5 BEBDRN O=[N+]([O-])c1cc(OCCCO)ccc1Cl ZINC000288301616 182924921 /nfs/dbraw/zinc/92/49/21/182924921.db2.gz BXOSQNHTJUMIHY-UHFFFAOYSA-N 0 0 231.635 2.009 20 5 BEBDRN O=[N+]([O-])c1cccc(CNCC(F)(F)F)c1 ZINC000020070248 182943613 /nfs/dbraw/zinc/94/36/13/182943613.db2.gz YTFCQYRAWJHLBG-UHFFFAOYSA-N 0 0 234.177 2.247 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1N[C@@H]1CCCOC1 ZINC000145819665 182946025 /nfs/dbraw/zinc/94/60/25/182946025.db2.gz BTQLXSXUXTXGQE-MRVPVSSYSA-N 0 0 240.234 2.325 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CC[C@H](C2CC2)C1 ZINC000374323863 182952167 /nfs/dbraw/zinc/95/21/67/182952167.db2.gz JYEKHFKKQFTRQL-JTQLQIEISA-N 0 0 233.271 2.226 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2O)cc1 ZINC000052006163 182937139 /nfs/dbraw/zinc/93/71/39/182937139.db2.gz IMYWFOMOCWPKJN-NWDGAFQWSA-N 0 0 236.271 2.310 20 5 BEBDRN O=[N+]([O-])c1ccsc1Oc1cccc[n+]1[O-] ZINC000302011107 182955838 /nfs/dbraw/zinc/95/58/38/182955838.db2.gz YMLKXPKXDVWIMU-UHFFFAOYSA-N 0 0 238.224 2.082 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CCC[C@@H]2F)s1 ZINC000338838913 182958789 /nfs/dbraw/zinc/95/87/89/182958789.db2.gz AXSRRIZAVQQGJU-WDSKDSINSA-N 0 0 231.252 2.354 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCCOCC2)s1 ZINC000192522357 182959356 /nfs/dbraw/zinc/95/93/56/182959356.db2.gz ZAVLFODPVUTLCO-SSDOTTSWSA-N 0 0 243.288 2.032 20 5 BEBDRN CCCN(C)c1ccc(N)cc1[N+](=O)[O-] ZINC000286011334 169088826 /nfs/dbraw/zinc/08/88/26/169088826.db2.gz AGWMGXQJSNVVKK-UHFFFAOYSA-N 0 0 209.249 2.023 20 5 BEBDRN CCCN(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278437560 169089911 /nfs/dbraw/zinc/08/99/11/169089911.db2.gz KCIRZTHPQAMIJS-UHFFFAOYSA-N 0 0 234.259 2.317 20 5 BEBDRN CCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000086968894 169218227 /nfs/dbraw/zinc/21/82/27/169218227.db2.gz JCNLKIIYPVHYJB-UHFFFAOYSA-N 0 0 236.271 2.054 20 5 BEBDRN CCC[C@@H](CNc1ncccc1[N+](=O)[O-])OC ZINC000293676809 169385388 /nfs/dbraw/zinc/38/53/88/169385388.db2.gz MXBUCPUGDGMFLW-VIFPVBQESA-N 0 0 239.275 2.217 20 5 BEBDRN O=[N+]([O-])c1nccn1CCc1ccccc1 ZINC001644166151 1172531588 /nfs/dbraw/zinc/53/15/88/1172531588.db2.gz VYRADUGVKMKYKR-UHFFFAOYSA-N 0 0 217.228 2.034 20 5 BEBDRN CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000298206293 169639317 /nfs/dbraw/zinc/63/93/17/169639317.db2.gz NFZUODCTWYTMRG-UHFFFAOYSA-N 0 0 248.282 2.148 20 5 BEBDRN CC1(C)C[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000226389179 134365361 /nfs/dbraw/zinc/36/53/61/134365361.db2.gz GRUGTQXTMPURCS-MRVPVSSYSA-N 0 0 221.260 2.448 20 5 BEBDRN Cc1ccnc(NCC[C@H](C)F)c1[N+](=O)[O-] ZINC000338752280 383825310 /nfs/dbraw/zinc/82/53/10/383825310.db2.gz FTVAKXOJPHHDFC-QMMMGPOBSA-N 0 0 227.239 2.458 20 5 BEBDRN CC[NH+](CC)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338898538 383850871 /nfs/dbraw/zinc/85/08/71/383850871.db2.gz VHGIAPBWXCNYFR-UHFFFAOYSA-N 0 0 224.260 2.142 20 5 BEBDRN Nc1ccc(N[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000288201262 383829374 /nfs/dbraw/zinc/82/93/74/383829374.db2.gz CPDMOHLIQHOYJT-QMMMGPOBSA-N 0 0 239.300 2.094 20 5 BEBDRN Nc1ccc(N[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000288201257 383831127 /nfs/dbraw/zinc/83/11/27/383831127.db2.gz CPDMOHLIQHOYJT-MRVPVSSYSA-N 0 0 239.300 2.094 20 5 BEBDRN C[C@@H](CO)[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000287312407 383927849 /nfs/dbraw/zinc/92/78/49/383927849.db2.gz NHKAKJZIWDFXRN-YUMQZZPRSA-N 0 0 242.250 2.163 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1N1CC2(CC2)C1 ZINC000334793756 383952355 /nfs/dbraw/zinc/95/23/55/383952355.db2.gz SIRXWWBYCOUJGS-UHFFFAOYSA-N 0 0 222.219 2.334 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000309510813 384117039 /nfs/dbraw/zinc/11/70/39/384117039.db2.gz PFCFMQWFEWQKSU-AKZRSSKFSA-N 0 0 219.244 2.200 20 5 BEBDRN Cc1cnc([C@@H](C)n2cc(C)c([N+](=O)[O-])n2)o1 ZINC000337945153 384128121 /nfs/dbraw/zinc/12/81/21/384128121.db2.gz VVTWCFZIORMPKP-MRVPVSSYSA-N 0 0 236.231 2.005 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H]2C)c1 ZINC000336231846 384174181 /nfs/dbraw/zinc/17/41/81/384174181.db2.gz BSAZBLCCCPPGGF-ONGXEEELSA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])c1cc(CN2CC[C@@H](F)C2)cs1 ZINC000336222696 384163112 /nfs/dbraw/zinc/16/31/12/384163112.db2.gz CKCWVGHPYKFCKF-MRVPVSSYSA-N 0 0 230.264 2.200 20 5 BEBDRN CON(CC(C)(C)C)c1ncc([N+](=O)[O-])s1 ZINC000286547962 384178274 /nfs/dbraw/zinc/17/82/74/384178274.db2.gz ZWTVPQYARWPVIZ-UHFFFAOYSA-N 0 0 245.304 2.465 20 5 BEBDRN Cc1cnc(COc2ccccc2[N+](=O)[O-])nc1 ZINC000361089032 384189085 /nfs/dbraw/zinc/18/90/85/384189085.db2.gz UBFPZIVCSFJWKK-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H](F)C2)nc1 ZINC000336660015 384244278 /nfs/dbraw/zinc/24/42/78/384244278.db2.gz BADYFNTWZKVNPZ-JGVFFNPUSA-N 0 0 225.223 2.292 20 5 BEBDRN O=[N+]([O-])c1cnn(-c2nc3c(cccc3F)o2)c1 ZINC000362572298 384269589 /nfs/dbraw/zinc/26/95/89/384269589.db2.gz GRBBAXCQNFWPIM-UHFFFAOYSA-N 0 0 248.173 2.061 20 5 BEBDRN O=[N+]([O-])c1cn(CCCOc2ccccc2)cn1 ZINC000073999656 384271308 /nfs/dbraw/zinc/27/13/08/384271308.db2.gz FEUYXDVDCQUESS-UHFFFAOYSA-N 0 0 247.254 2.260 20 5 BEBDRN Cc1c(CNC(=O)C2=CCC2)cccc1[N+](=O)[O-] ZINC000362537792 384242033 /nfs/dbraw/zinc/24/20/33/384242033.db2.gz NDBVNCWSHAERGT-UHFFFAOYSA-N 0 0 246.266 2.240 20 5 BEBDRN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000335463577 384287930 /nfs/dbraw/zinc/28/79/30/384287930.db2.gz WTOXTVUDJIVMKB-JGPRNRPPSA-N 0 0 246.266 2.123 20 5 BEBDRN CCC[C@@H](O)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000134546446 384349374 /nfs/dbraw/zinc/34/93/74/384349374.db2.gz HLEYNCMOSJBVRN-SECBINFHSA-N 0 0 242.250 2.307 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(S[C@@H](C)CO)n1 ZINC000359080409 384374683 /nfs/dbraw/zinc/37/46/83/384374683.db2.gz FPNJIAQIAQGWQI-QMMMGPOBSA-N 0 0 242.300 2.080 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(OCc2ncccn2)c1 ZINC000358515361 384324497 /nfs/dbraw/zinc/32/44/97/384324497.db2.gz NBYVPNLZZBKRCK-UHFFFAOYSA-N 0 0 249.201 2.103 20 5 BEBDRN O=[N+]([O-])c1cccc(CNC2(C(F)F)CC2)c1 ZINC000337271237 384392235 /nfs/dbraw/zinc/39/22/35/384392235.db2.gz BLSVWYSEYIYHRH-UHFFFAOYSA-N 0 0 242.225 2.482 20 5 BEBDRN Cc1cc(NCCC2(C)CC2)ncc1[N+](=O)[O-] ZINC000359842469 384448631 /nfs/dbraw/zinc/44/86/31/384448631.db2.gz LGKPUIRQTUNBOD-UHFFFAOYSA-N 0 0 235.287 2.322 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCOC2)c(Cl)c1 ZINC000070966102 384483188 /nfs/dbraw/zinc/48/31/88/384483188.db2.gz LGNHMYSPVZLRLE-SSDOTTSWSA-N 0 0 242.662 2.449 20 5 BEBDRN Cc1ccc(N[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000070966523 384483196 /nfs/dbraw/zinc/48/31/96/384483196.db2.gz PREBGFAEOBVWTB-VIFPVBQESA-N 0 0 222.244 2.104 20 5 BEBDRN C[C@@H]([NH2+][C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000098005653 384458117 /nfs/dbraw/zinc/45/81/17/384458117.db2.gz MZPQHGRQDJKGOM-VHSXEESVSA-N 0 0 238.287 2.016 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@H]1CCCOC1 ZINC000071014317 384501855 /nfs/dbraw/zinc/50/18/55/384501855.db2.gz PCVMAKPCEBOGBM-VIFPVBQESA-N 0 0 222.244 2.186 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1Nc1c[nH]cn1 ZINC000514854030 384513151 /nfs/dbraw/zinc/51/31/51/384513151.db2.gz GGOPSLJWKZGCMX-UHFFFAOYSA-N 0 0 222.179 2.201 20 5 BEBDRN C[C@@H](C1CC1)N(C)c1ncccc1[N+](=O)[O-] ZINC000514981547 384586764 /nfs/dbraw/zinc/58/67/64/384586764.db2.gz VTXBSIWHOCSLGA-QMMMGPOBSA-N 0 0 221.260 2.225 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCCCCO)c1 ZINC000235757423 384671910 /nfs/dbraw/zinc/67/19/10/384671910.db2.gz XOCRCUNSUDUBPP-UHFFFAOYSA-N 0 0 224.260 2.088 20 5 BEBDRN CCC1(C)CN(c2ncc([N+](=O)[O-])s2)C1 ZINC000515191778 384690419 /nfs/dbraw/zinc/69/04/19/384690419.db2.gz LFBJVTCWXOOMEF-UHFFFAOYSA-N 0 0 227.289 2.288 20 5 BEBDRN C[C@@H](O)C[C@H](C)CNc1ccc([N+](=O)[O-])s1 ZINC000309912286 384704960 /nfs/dbraw/zinc/70/49/60/384704960.db2.gz NJWGFFUROYNPMV-JGVFFNPUSA-N 0 0 244.316 2.475 20 5 BEBDRN CC1(F)CC(Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000450584267 384827778 /nfs/dbraw/zinc/82/77/78/384827778.db2.gz WUDQZRFTUXAORB-UHFFFAOYSA-N 0 0 225.223 2.292 20 5 BEBDRN O=[N+]([O-])c1cnn(-c2nc3cc(F)ccc3o2)c1 ZINC000176835131 384792837 /nfs/dbraw/zinc/79/28/37/384792837.db2.gz DJDBBHVSWKDFQW-UHFFFAOYSA-N 0 0 248.173 2.061 20 5 BEBDRN CC(C)N(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255710989 384957844 /nfs/dbraw/zinc/95/78/44/384957844.db2.gz DJHSEKBTXPJTBQ-FPLPWBNLSA-N 0 0 248.282 2.475 20 5 BEBDRN O=C(CCC1CC1)NCc1ccccc1[N+](=O)[O-] ZINC000265224392 384909806 /nfs/dbraw/zinc/90/98/06/384909806.db2.gz TWIYAOMZQUODHT-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN Cc1cc(=O)n([C@@H]2C=CCCC2)cc1[N+](=O)[O-] ZINC000177796188 384911826 /nfs/dbraw/zinc/91/18/26/384911826.db2.gz OSLVINUSDTTWBC-SNVBAGLBSA-N 0 0 234.255 2.346 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCC2CC2)nc1 ZINC000083895491 384917703 /nfs/dbraw/zinc/91/77/03/384917703.db2.gz KNWONRZUIBZCFI-UHFFFAOYSA-N 0 0 207.233 2.202 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCCC1CC1 ZINC000083911152 384924645 /nfs/dbraw/zinc/92/46/45/384924645.db2.gz WBIDONPZCXOWSE-UHFFFAOYSA-N 0 0 207.233 2.202 20 5 BEBDRN O=Cc1cc([N+](=O)[O-])ccc1OCCCF ZINC000088025405 384966673 /nfs/dbraw/zinc/96/66/73/384966673.db2.gz ARZZZYIWZZPTKD-UHFFFAOYSA-N 0 0 227.191 2.146 20 5 BEBDRN O=[N+]([O-])c1ccnn1CC1CCCCC1 ZINC000150904726 385015577 /nfs/dbraw/zinc/01/55/77/385015577.db2.gz UHBWIVPPLPUWRJ-UHFFFAOYSA-N 0 0 209.249 2.372 20 5 BEBDRN C[C@@H](CCO)CNc1ccccc1[N+](=O)[O-] ZINC000085132209 385032270 /nfs/dbraw/zinc/03/22/70/385032270.db2.gz MRUZBMLKYHIGFP-VIFPVBQESA-N 0 0 224.260 2.025 20 5 BEBDRN Cc1c(CNC(=O)C2CCC2)cccc1[N+](=O)[O-] ZINC000360529057 385037003 /nfs/dbraw/zinc/03/70/03/385037003.db2.gz OLBPIQYREZHUMX-UHFFFAOYSA-N 0 0 248.282 2.320 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1CNc1ncccn1 ZINC000187923787 385119408 /nfs/dbraw/zinc/11/94/08/385119408.db2.gz SXALSAQMFFBASD-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN O=C(CC1CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000263784212 385142488 /nfs/dbraw/zinc/14/24/88/385142488.db2.gz OOMMKVBWRPDZFW-UHFFFAOYSA-N 0 0 238.218 2.473 20 5 BEBDRN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000177067259 385174342 /nfs/dbraw/zinc/17/43/42/385174342.db2.gz YWZCKNGVUNLNTD-ZJUUUORDSA-N 0 0 248.282 2.465 20 5 BEBDRN CO[C@H](C)CCNc1ccccc1[N+](=O)[O-] ZINC000263922671 385178059 /nfs/dbraw/zinc/17/80/59/385178059.db2.gz UXGAEXHKGJCLDM-SECBINFHSA-N 0 0 224.260 2.432 20 5 BEBDRN Cc1ccc(N[C@H]2C=C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000338285674 385228607 /nfs/dbraw/zinc/22/86/07/385228607.db2.gz UXTZWZUAWJELQA-QWRGUYRKSA-N 0 0 248.282 2.252 20 5 BEBDRN Cc1sc(C(=O)N[C@H](C)CF)cc1[N+](=O)[O-] ZINC000287961416 385257177 /nfs/dbraw/zinc/25/71/77/385257177.db2.gz DLBCIEBNXKNYFM-RXMQYKEDSA-N 0 0 246.263 2.053 20 5 BEBDRN O=[N+]([O-])c1cccc(CSc2c[nH]nn2)c1 ZINC000177375738 385234772 /nfs/dbraw/zinc/23/47/72/385234772.db2.gz QHRJZWYZZRTNDH-UHFFFAOYSA-N 0 0 236.256 2.005 20 5 BEBDRN C[C@H](Cn1cnc([N+](=O)[O-])n1)C1CCCCC1 ZINC000338546190 385255045 /nfs/dbraw/zinc/25/50/45/385255045.db2.gz KRQXKBMNBYFOBX-SECBINFHSA-N 0 0 238.291 2.403 20 5 BEBDRN Cc1cnc(NCC[C@H](C)F)c([N+](=O)[O-])c1 ZINC000338756092 385278451 /nfs/dbraw/zinc/27/84/51/385278451.db2.gz QLCZPTGIVONJOG-QMMMGPOBSA-N 0 0 227.239 2.458 20 5 BEBDRN CS[C@H](C)CNc1ncc([N+](=O)[O-])s1 ZINC000189689860 385280986 /nfs/dbraw/zinc/28/09/86/385280986.db2.gz DNTQKQMFOVWAQL-RXMQYKEDSA-N 0 0 233.318 2.215 20 5 BEBDRN Cc1ccc(OC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000178991160 385294703 /nfs/dbraw/zinc/29/47/03/385294703.db2.gz YVMOJKFEJNJJQK-LLVKDONJSA-N 0 0 237.255 2.461 20 5 BEBDRN CO[C@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000290776340 385449242 /nfs/dbraw/zinc/44/92/42/385449242.db2.gz VWHGCYDEYHNVRR-VXNVDRBHSA-N 0 0 239.275 2.134 20 5 BEBDRN C[C@@H]1CCCC[C@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000564345779 385537759 /nfs/dbraw/zinc/53/77/59/385537759.db2.gz DNNQNJQXNOXTJW-BDAKNGLRSA-N 0 0 224.264 2.013 20 5 BEBDRN CCc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1 ZINC000172158909 385554261 /nfs/dbraw/zinc/55/42/61/385554261.db2.gz TZMQLVFWOOFGIN-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@@H]1CCCC[C@H]1O ZINC000052005900 385597907 /nfs/dbraw/zinc/59/79/07/385597907.db2.gz BECJPMWUWIJZJF-ZYHUDNBSSA-N 0 0 236.271 2.310 20 5 BEBDRN Cc1cc(N[C@H]2CO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000401948144 385588143 /nfs/dbraw/zinc/58/81/43/385588143.db2.gz SJCIDQZJDJRDLO-GXSJLCMTSA-N 0 0 236.271 2.493 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H](F)C2)cn1 ZINC000309491481 385622856 /nfs/dbraw/zinc/62/28/56/385622856.db2.gz ITGQOFSPJAONTK-HTQZYQBOSA-N 0 0 225.223 2.292 20 5 BEBDRN CC[C@H]1CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000292187220 385613094 /nfs/dbraw/zinc/61/30/94/385613094.db2.gz FWTSQHZDRAUBEI-VIFPVBQESA-N 0 0 221.260 2.287 20 5 BEBDRN CSCOc1c(F)cccc1[N+](=O)[O-] ZINC000292737636 385716889 /nfs/dbraw/zinc/71/68/89/385716889.db2.gz UMHOFSBOOFTXBW-UHFFFAOYSA-N 0 0 217.221 2.433 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@H]1CCCSC1 ZINC000129203985 385739810 /nfs/dbraw/zinc/73/98/10/385739810.db2.gz OYHPFVAXOBKPAH-QMMMGPOBSA-N 0 0 239.300 2.297 20 5 BEBDRN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)CS1 ZINC000397826940 385719638 /nfs/dbraw/zinc/71/96/38/385719638.db2.gz BIBGIJLTRPKKSU-IONNQARKSA-N 0 0 239.300 2.296 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCC1CC(F)(F)C1 ZINC000291916067 385811875 /nfs/dbraw/zinc/81/18/75/385811875.db2.gz REGGTPARAKSEHE-UHFFFAOYSA-N 0 0 243.213 2.447 20 5 BEBDRN CC[C@](C)(CNc1ncccc1[N+](=O)[O-])OC ZINC000322515262 385814445 /nfs/dbraw/zinc/81/44/45/385814445.db2.gz BIFPKIAXCSGUHF-LLVKDONJSA-N 0 0 239.275 2.217 20 5 BEBDRN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccon1 ZINC000341933006 385839611 /nfs/dbraw/zinc/83/96/11/385839611.db2.gz UIRYSGMEGJJXPQ-SSDOTTSWSA-N 0 0 234.215 2.151 20 5 BEBDRN CCC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000291126633 385839943 /nfs/dbraw/zinc/83/99/43/385839943.db2.gz VQRWRCPCXMYFLG-UHFFFAOYSA-N 0 0 248.282 2.467 20 5 BEBDRN CC[C@H](O)COc1c(C)cccc1[N+](=O)[O-] ZINC000128657411 385866819 /nfs/dbraw/zinc/86/68/19/385866819.db2.gz QZJXHIQXUXXQBA-VIFPVBQESA-N 0 0 225.244 2.053 20 5 BEBDRN Cc1cc(NC(=O)[C@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000182408326 385867190 /nfs/dbraw/zinc/86/71/90/385867190.db2.gz CYJCWBFLFOZVBW-XVKPBYJWSA-N 0 0 234.255 2.498 20 5 BEBDRN CC(C)[C@@]1(C)C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000397201527 385940921 /nfs/dbraw/zinc/94/09/21/385940921.db2.gz WGUPLLKVGZWWSQ-GXSJLCMTSA-N 0 0 236.275 2.231 20 5 BEBDRN C[C@H](NC(=O)C1=CCC1)c1ccccc1[N+](=O)[O-] ZINC000355974871 385943977 /nfs/dbraw/zinc/94/39/77/385943977.db2.gz SYIQPFOVKCJZFS-VIFPVBQESA-N 0 0 246.266 2.492 20 5 BEBDRN CN(C[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000267239751 386202325 /nfs/dbraw/zinc/20/23/25/386202325.db2.gz GUEAXLUXJQDGIH-JTQLQIEISA-N 0 0 236.271 2.068 20 5 BEBDRN CCC[C@@H](O)CNc1cccc(C)c1[N+](=O)[O-] ZINC000218853808 386281547 /nfs/dbraw/zinc/28/15/47/386281547.db2.gz XWBGHFPGNKYJOH-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN CO[C@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000265005991 386294293 /nfs/dbraw/zinc/29/42/93/386294293.db2.gz OPUOLSRKFVPVAB-SSDOTTSWSA-N 0 0 249.226 2.352 20 5 BEBDRN CCCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000518289182 386300093 /nfs/dbraw/zinc/30/00/93/386300093.db2.gz UZBVYDMTUUQCSV-VIFPVBQESA-N 0 0 236.271 2.225 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@H]2C)c1 ZINC000294037213 386322081 /nfs/dbraw/zinc/32/20/81/386322081.db2.gz JZAOZNDZTWTUHG-NXEZZACHSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1c(C(=O)N2C[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000294174000 386452949 /nfs/dbraw/zinc/45/29/49/386452949.db2.gz PRVYUBQDKZAOQT-PSASIEDQSA-N 0 0 248.282 2.384 20 5 BEBDRN CC/C=C/CCn1cc([N+](=O)[O-])c(C)n1 ZINC000184444211 386522018 /nfs/dbraw/zinc/52/20/18/386522018.db2.gz JKTNBOBCBYQTLG-SNAWJCMRSA-N 0 0 209.249 2.456 20 5 BEBDRN Cc1c(C(=O)N2C[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000294174003 386453587 /nfs/dbraw/zinc/45/35/87/386453587.db2.gz PRVYUBQDKZAOQT-SCZZXKLOSA-N 0 0 248.282 2.384 20 5 BEBDRN CO[C@H](C)COc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000519619191 386593945 /nfs/dbraw/zinc/59/39/45/386593945.db2.gz UKMQRBNXQMBPCF-SSDOTTSWSA-N 0 0 240.259 2.020 20 5 BEBDRN CC(C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229551795 386546064 /nfs/dbraw/zinc/54/60/64/386546064.db2.gz HPWOUMUFISGZMU-UHFFFAOYSA-N 0 0 241.222 2.264 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(O[C@H](C)[C@H](C)O)c1 ZINC000087138985 386671281 /nfs/dbraw/zinc/67/12/81/386671281.db2.gz PPRVELFVTCQGNO-DTWKUNHWSA-N 0 0 225.244 2.051 20 5 BEBDRN C[C@@H](F)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000356647465 386707300 /nfs/dbraw/zinc/70/73/00/386707300.db2.gz FYGFRYRHYGVQOW-ZCFIWIBFSA-N 0 0 246.263 2.134 20 5 BEBDRN C[C@H](F)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000356647461 386708477 /nfs/dbraw/zinc/70/84/77/386708477.db2.gz FYGFRYRHYGVQOW-LURJTMIESA-N 0 0 246.263 2.134 20 5 BEBDRN CC/C=C/CCn1cc([N+](=O)[O-])cc(C)c1=O ZINC000186340479 386708864 /nfs/dbraw/zinc/70/88/64/386708864.db2.gz RMXNYMIMIPPJEF-SNAWJCMRSA-N 0 0 236.271 2.421 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(OCCF)c1 ZINC000340705922 386746657 /nfs/dbraw/zinc/74/66/57/386746657.db2.gz QEHILWCKMUHHFS-UHFFFAOYSA-N 0 0 203.144 2.082 20 5 BEBDRN CCC1(CNc2ccccc2[N+](=O)[O-])COC1 ZINC000450845845 386756623 /nfs/dbraw/zinc/75/66/23/386756623.db2.gz OAEUPUSMJLJKIT-UHFFFAOYSA-N 0 0 236.271 2.433 20 5 BEBDRN CCOc1cc(OCCF)ccc1[N+](=O)[O-] ZINC000340702950 386744487 /nfs/dbraw/zinc/74/44/87/386744487.db2.gz DYBRWNCVQDJMDB-UHFFFAOYSA-N 0 0 229.207 2.342 20 5 BEBDRN Cc1cnc(NCCOC(C)C)c([N+](=O)[O-])c1 ZINC000168653650 386779965 /nfs/dbraw/zinc/77/99/65/386779965.db2.gz GCRFIVMBHWEXJD-UHFFFAOYSA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)[C@H]2CCOC2)c1 ZINC000268063892 386825857 /nfs/dbraw/zinc/82/58/57/386825857.db2.gz ZRNBRWOAAYFLPY-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN COCCOc1ccc([N+](=O)[O-])c2ncccc12 ZINC000184977493 386841950 /nfs/dbraw/zinc/84/19/50/386841950.db2.gz MDUPNRSLWAPMEB-UHFFFAOYSA-N 0 0 248.238 2.168 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)C)c1 ZINC000088147534 386844580 /nfs/dbraw/zinc/84/45/80/386844580.db2.gz YDUBNXDDGROSSG-UHFFFAOYSA-N 0 0 236.271 2.289 20 5 BEBDRN C[C@H](CO)CSc1sccc1[N+](=O)[O-] ZINC000302017993 386895330 /nfs/dbraw/zinc/89/53/30/386895330.db2.gz MLSQINOZSKJQBR-ZCFIWIBFSA-N 0 0 233.314 2.377 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2C)c1 ZINC000266184701 386864650 /nfs/dbraw/zinc/86/46/50/386864650.db2.gz ZFMBJHQXPVXJBY-PSASIEDQSA-N 0 0 234.255 2.041 20 5 BEBDRN CO[C@@H](C)COc1c(F)cccc1[N+](=O)[O-] ZINC000185028304 386927142 /nfs/dbraw/zinc/92/71/42/386927142.db2.gz VEOCWMKEKVRMCI-ZETCQYMHSA-N 0 0 229.207 2.148 20 5 BEBDRN CC1(C)C[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000352307170 387059795 /nfs/dbraw/zinc/05/97/95/387059795.db2.gz YYWUHMDPIRICSL-JTQLQIEISA-N 0 0 248.282 2.371 20 5 BEBDRN CO[C@H](C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000268512164 387021377 /nfs/dbraw/zinc/02/13/77/387021377.db2.gz SEICBEMIRFWPDC-MRVPVSSYSA-N 0 0 239.275 2.135 20 5 BEBDRN CCCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357324342 387029879 /nfs/dbraw/zinc/02/98/79/387029879.db2.gz PZBIWAYZSTWKIK-UHFFFAOYSA-N 0 0 246.270 2.172 20 5 BEBDRN CCOCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129763481 387096248 /nfs/dbraw/zinc/09/62/48/387096248.db2.gz DJVYQTSCKNHHDR-UHFFFAOYSA-N 0 0 245.666 2.092 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCc1ncccc1F ZINC000127534279 387107675 /nfs/dbraw/zinc/10/76/75/387107675.db2.gz BUAKSIOXHDBGOI-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1C[C@@H](O)C1 ZINC000295360501 387113702 /nfs/dbraw/zinc/11/37/02/387113702.db2.gz ONICYXSUGXAUTB-OCAPTIKFSA-N 0 0 242.662 2.183 20 5 BEBDRN CCC1(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000295380507 387129668 /nfs/dbraw/zinc/12/96/68/387129668.db2.gz DSSZPQNBZDFWAD-UHFFFAOYSA-N 0 0 240.284 2.329 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@@H]2O)cc1 ZINC000089167291 387183249 /nfs/dbraw/zinc/18/32/49/387183249.db2.gz DLECITLHNYKLIE-CABZTGNLSA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCc1ncccc1O ZINC000359901124 387186441 /nfs/dbraw/zinc/18/64/41/387186441.db2.gz OFAJLWYYCHDBIA-UHFFFAOYSA-N 0 0 245.238 2.308 20 5 BEBDRN Cc1cc(C(=O)N2CCCC2)cc([N+](=O)[O-])c1 ZINC000121813951 387268264 /nfs/dbraw/zinc/26/82/64/387268264.db2.gz DOUXRBLSNWAMFG-UHFFFAOYSA-N 0 0 234.255 2.139 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@@H](F)[C@@H](F)C2)c(F)c1 ZINC000294906884 387337420 /nfs/dbraw/zinc/33/74/20/387337420.db2.gz FIFUJDBJRUNOCB-DTORHVGOSA-N 0 0 246.188 2.230 20 5 BEBDRN CO[C@H](C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000268780643 387386458 /nfs/dbraw/zinc/38/64/58/387386458.db2.gz CEVNPBJIDDFYOP-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN C[C@H](NCc1cocn1)c1ccccc1[N+](=O)[O-] ZINC000346861600 387480337 /nfs/dbraw/zinc/48/03/37/387480337.db2.gz APBSJTINIXTQSS-VIFPVBQESA-N 0 0 247.254 2.434 20 5 BEBDRN C[C@@H](NCc1cocn1)c1ccccc1[N+](=O)[O-] ZINC000346861597 387480415 /nfs/dbraw/zinc/48/04/15/387480415.db2.gz APBSJTINIXTQSS-SECBINFHSA-N 0 0 247.254 2.434 20 5 BEBDRN Cc1nc(CNc2cc(C)ccc2[N+](=O)[O-])no1 ZINC000088723473 387653821 /nfs/dbraw/zinc/65/38/21/387653821.db2.gz BJOORCMSXIKKCZ-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1cnc(N2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000267685405 387727710 /nfs/dbraw/zinc/72/77/10/387727710.db2.gz PWZQFEYNHBFJLR-VIFPVBQESA-N 0 0 221.260 2.287 20 5 BEBDRN CCN(CC(C)C)c1ccc([N+](=O)[O-])cn1 ZINC000192807111 387886581 /nfs/dbraw/zinc/88/65/81/387886581.db2.gz OWPTUOAHYMTZFD-UHFFFAOYSA-N 0 0 223.276 2.472 20 5 BEBDRN CCOCCNc1ccc([N+](=O)[O-])cc1F ZINC000036230000 387887357 /nfs/dbraw/zinc/88/73/57/387887357.db2.gz NTFOOHZWBDHRBZ-UHFFFAOYSA-N 0 0 228.223 2.182 20 5 BEBDRN CCOCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000036230006 387887592 /nfs/dbraw/zinc/88/75/92/387887592.db2.gz KQMVGPFBYGOOAZ-UHFFFAOYSA-N 0 0 224.260 2.352 20 5 BEBDRN Cc1ccc(N[C@H](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000228128186 387931571 /nfs/dbraw/zinc/93/15/71/387931571.db2.gz DSYRDXAPHJFABW-ZJUUUORDSA-N 0 0 238.287 2.475 20 5 BEBDRN CC[C@@H](C)CN(C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000296963881 387955034 /nfs/dbraw/zinc/95/50/34/387955034.db2.gz CUUUASGZVMYCRL-MRVPVSSYSA-N 0 0 238.291 2.176 20 5 BEBDRN C[C@@H]1OCC[C@]1(C)Nc1ncc([N+](=O)[O-])s1 ZINC000300379082 387993658 /nfs/dbraw/zinc/99/36/58/387993658.db2.gz SITJEPSOCFNINQ-RCOVLWMOSA-N 0 0 243.288 2.031 20 5 BEBDRN CCCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000042565885 388098232 /nfs/dbraw/zinc/09/82/32/388098232.db2.gz HNXYNLMSYKDEAT-UHFFFAOYSA-N 0 0 228.273 2.186 20 5 BEBDRN CCN(CCSC)c1ccc([N+](=O)[O-])nc1 ZINC000591999710 388145167 /nfs/dbraw/zinc/14/51/67/388145167.db2.gz LDAMZCQRPVHUIU-UHFFFAOYSA-N 0 0 241.316 2.179 20 5 BEBDRN Cc1coc(Sc2ccc([N+](=O)[O-])cn2)n1 ZINC000302730745 388345292 /nfs/dbraw/zinc/34/52/92/388345292.db2.gz SFCYJJGAURFCRO-UHFFFAOYSA-N 0 0 237.240 2.437 20 5 BEBDRN Cc1nc(COc2ccc([N+](=O)[O-])cc2C)no1 ZINC000131527031 388347717 /nfs/dbraw/zinc/34/77/17/388347717.db2.gz BKQKYGALUGDZSK-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN Cc1cc(C(=O)N(C)CC2CC2)cc([N+](=O)[O-])c1 ZINC000122089777 388353918 /nfs/dbraw/zinc/35/39/18/388353918.db2.gz WIVBQJATKZTOFV-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN CCCCN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000057026402 388355220 /nfs/dbraw/zinc/35/52/20/388355220.db2.gz YCKYAMJEIBHVOI-UHFFFAOYSA-N 0 0 226.232 2.060 20 5 BEBDRN Cc1cnc(COc2cccc([N+](=O)[O-])c2)cn1 ZINC000352551642 388361602 /nfs/dbraw/zinc/36/16/02/388361602.db2.gz ZIKNGKYEIGAWJW-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN CC(C)(C)OCCCCn1nccc1[N+](=O)[O-] ZINC000352929668 388365971 /nfs/dbraw/zinc/36/59/71/388365971.db2.gz IOUQOWDSOBOEKU-UHFFFAOYSA-N 0 0 241.291 2.387 20 5 BEBDRN C[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227651185 388368283 /nfs/dbraw/zinc/36/82/83/388368283.db2.gz JFIOSODZZTVWFA-SVGQVSJJSA-N 0 0 227.651 2.464 20 5 BEBDRN O=c1c([N+](=O)[O-])cccn1CCCC1CCC1 ZINC000594887062 388369827 /nfs/dbraw/zinc/36/98/27/388369827.db2.gz FYGVBSQVGYBSPJ-UHFFFAOYSA-N 0 0 236.271 2.337 20 5 BEBDRN O=c1c([N+](=O)[O-])cccn1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000594888448 388370361 /nfs/dbraw/zinc/37/03/61/388370361.db2.gz YGWBUKQJUKITKH-OUAUKWLOSA-N 0 0 248.282 2.193 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCF ZINC000595055370 388376230 /nfs/dbraw/zinc/37/62/30/388376230.db2.gz XLYZPFONPVVHBN-QMMMGPOBSA-N 0 0 242.250 2.224 20 5 BEBDRN CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000058792632 388388350 /nfs/dbraw/zinc/38/83/50/388388350.db2.gz BSOZGDFVICYTCC-UHFFFAOYSA-N 0 0 228.273 2.185 20 5 BEBDRN COCc1nc(-c2cc([N+](=O)[O-])c[nH]2)cs1 ZINC000357658322 388393733 /nfs/dbraw/zinc/39/37/33/388393733.db2.gz YMTKUTDEEBZRHA-UHFFFAOYSA-N 0 0 239.256 2.193 20 5 BEBDRN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000172695576 388410358 /nfs/dbraw/zinc/41/03/58/388410358.db2.gz WSLFCKSDCNDQSL-VIFPVBQESA-N 0 0 248.282 2.052 20 5 BEBDRN Cc1nn(C)c(NCCC(C)(C)F)c1[N+](=O)[O-] ZINC000596467432 388415790 /nfs/dbraw/zinc/41/57/90/388415790.db2.gz AHEXWHBVFUHDOI-UHFFFAOYSA-N 0 0 244.270 2.187 20 5 BEBDRN CSCCOc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000516585214 256794535 /nfs/dbraw/zinc/79/45/35/256794535.db2.gz LBWVIQUUVIQYRR-UHFFFAOYSA-N 0 0 242.300 2.348 20 5 BEBDRN Cc1nn(CC2CCCC2)cc1[N+](=O)[O-] ZINC000181812433 388550161 /nfs/dbraw/zinc/55/01/61/388550161.db2.gz GINQWKLJIVDNJH-UHFFFAOYSA-N 0 0 209.249 2.290 20 5 BEBDRN Cc1nc(Sc2ncco2)ccc1[N+](=O)[O-] ZINC000444872065 388589818 /nfs/dbraw/zinc/58/98/18/388589818.db2.gz LYSOSMYBGZUPHC-UHFFFAOYSA-N 0 0 237.240 2.437 20 5 BEBDRN Cc1ccc(C(=O)N[C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000017804871 388591261 /nfs/dbraw/zinc/59/12/61/388591261.db2.gz PXLDRWOFCPQQRK-SECBINFHSA-N 0 0 248.282 2.432 20 5 BEBDRN CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000298286498 388579386 /nfs/dbraw/zinc/57/93/86/388579386.db2.gz DHKJHDUFYHZAQF-ZCFIWIBFSA-N 0 0 242.300 2.493 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H](CCO)C2CC2)cc1 ZINC000301345156 388579749 /nfs/dbraw/zinc/57/97/49/388579749.db2.gz JMFVECDGIQFULV-GFCCVEGCSA-N 0 0 236.271 2.168 20 5 BEBDRN COC[C@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000078963449 388686257 /nfs/dbraw/zinc/68/62/57/388686257.db2.gz UPSRHYUTMODCGJ-ZETCQYMHSA-N 0 0 228.273 2.117 20 5 BEBDRN O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CC12CC2 ZINC000418099631 388675150 /nfs/dbraw/zinc/67/51/50/388675150.db2.gz QCVVIWWNOAYIGA-NSHDSACASA-N 0 0 232.283 2.485 20 5 BEBDRN C[C@@H](CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000077987673 388678224 /nfs/dbraw/zinc/67/82/24/388678224.db2.gz QRTKDQKZMHGALL-ZETCQYMHSA-N 0 0 244.678 2.431 20 5 BEBDRN CC[C@@H](O)[C@@H](CC)Nc1ncc([N+](=O)[O-])s1 ZINC000313167720 388681871 /nfs/dbraw/zinc/68/18/71/388681871.db2.gz UMPACTUDAIROHA-RNFRBKRXSA-N 0 0 245.304 2.013 20 5 BEBDRN C[C@H](CCO)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000078580531 388682806 /nfs/dbraw/zinc/68/28/06/388682806.db2.gz ATQYECBHEMKFAP-MRVPVSSYSA-N 0 0 242.250 2.164 20 5 BEBDRN CC[C@@H](O)CSc1cccc([N+](=O)[O-])c1 ZINC000313460590 388684018 /nfs/dbraw/zinc/68/40/18/388684018.db2.gz MVDDNJLSLHAJAH-SECBINFHSA-N 0 0 227.285 2.458 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCc2cc[nH]n2)c1 ZINC000094659484 388639856 /nfs/dbraw/zinc/63/98/56/388639856.db2.gz CTBWRCNDKCZJRX-UHFFFAOYSA-N 0 0 232.243 2.238 20 5 BEBDRN CN(CCC1CC1)c1ccc([N+](=O)[O-])nc1 ZINC000446869784 388734342 /nfs/dbraw/zinc/73/43/42/388734342.db2.gz CQXBJKKVWWRSOR-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN O=C(CC1CC1)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000447294421 388734872 /nfs/dbraw/zinc/73/48/72/388734872.db2.gz HQYYSCYQWUCIOB-UHFFFAOYSA-N 0 0 249.270 2.038 20 5 BEBDRN CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000277956269 388750777 /nfs/dbraw/zinc/75/07/77/388750777.db2.gz WJXPMUMPDOWHGB-UHFFFAOYSA-N 0 0 246.270 2.460 20 5 BEBDRN CCN(CCOC)Cc1csc([N+](=O)[O-])c1 ZINC000299134103 388699073 /nfs/dbraw/zinc/69/90/73/388699073.db2.gz OEMUHNPRXCAYGP-UHFFFAOYSA-N 0 0 244.316 2.125 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCc1ccon1 ZINC000115965694 388704129 /nfs/dbraw/zinc/70/41/29/388704129.db2.gz LOJUSYROTRQNNN-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN C[C@H](NCc1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000080581430 388711236 /nfs/dbraw/zinc/71/12/36/388711236.db2.gz AHPWWZZZYLPCFV-VIFPVBQESA-N 0 0 246.270 2.169 20 5 BEBDRN CCN(CCOC)c1ccc([N+](=O)[O-])c(C)c1 ZINC000299173751 388711859 /nfs/dbraw/zinc/71/18/59/388711859.db2.gz ZLFWRTGGPWMGFB-UHFFFAOYSA-N 0 0 238.287 2.376 20 5 BEBDRN Cc1nc(CNc2ccc(C)cc2[N+](=O)[O-])no1 ZINC000080641108 388712223 /nfs/dbraw/zinc/71/22/23/388712223.db2.gz IIUJPVHLRQWKBW-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CC[C@@H](C2CC2)C1 ZINC000374323864 388714321 /nfs/dbraw/zinc/71/43/21/388714321.db2.gz JYEKHFKKQFTRQL-SNVBAGLBSA-N 0 0 233.271 2.226 20 5 BEBDRN CC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000081272733 388718515 /nfs/dbraw/zinc/71/85/15/388718515.db2.gz JCYBIPWRHPSINA-UHFFFAOYSA-N 0 0 225.269 2.417 20 5 BEBDRN Cc1c(NC(=O)[C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000068968255 388719136 /nfs/dbraw/zinc/71/91/36/388719136.db2.gz QTKUFAQEGIAFBK-APPZFPTMSA-N 0 0 234.255 2.498 20 5 BEBDRN CSCCNc1ncc([N+](=O)[O-])cc1C ZINC000069012498 388720090 /nfs/dbraw/zinc/72/00/90/388720090.db2.gz IYRAIKOTTNJYIM-UHFFFAOYSA-N 0 0 227.289 2.073 20 5 BEBDRN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)on1 ZINC000012871230 388724227 /nfs/dbraw/zinc/72/42/27/388724227.db2.gz AZPFUMZIQAKLIL-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN CC[C@@H](CCO)Nc1sccc1[N+](=O)[O-] ZINC000301987490 388725201 /nfs/dbraw/zinc/72/52/01/388725201.db2.gz DJSNEAGMQZJVSI-ZETCQYMHSA-N 0 0 230.289 2.229 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NC1C(C)(C)C1(C)C ZINC000118596265 388730118 /nfs/dbraw/zinc/73/01/18/388730118.db2.gz ANIDBEAUBPSDDO-UHFFFAOYSA-N 0 0 238.291 2.175 20 5 BEBDRN Cc1cc(NC2(CCO)CC2)ccc1[N+](=O)[O-] ZINC000431498389 388731413 /nfs/dbraw/zinc/73/14/13/388731413.db2.gz VTAGVGVZAWYQQY-UHFFFAOYSA-N 0 0 236.271 2.230 20 5 BEBDRN CSCCN(C)c1ncc(C)cc1[N+](=O)[O-] ZINC000446837088 388733844 /nfs/dbraw/zinc/73/38/44/388733844.db2.gz VJAWVMFXNQHSEA-UHFFFAOYSA-N 0 0 241.316 2.097 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC[C@@H]2CCOC2)c1 ZINC000330795619 388761068 /nfs/dbraw/zinc/76/10/68/388761068.db2.gz DYLGWZDTHADEGN-SNVBAGLBSA-N 0 0 237.255 2.319 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000193225202 388813048 /nfs/dbraw/zinc/81/30/48/388813048.db2.gz KEECRHNMKONHSD-MWLCHTKSSA-N 0 0 248.282 2.209 20 5 BEBDRN CC1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000126179742 388821715 /nfs/dbraw/zinc/82/17/15/388821715.db2.gz SVHOKSDKDREFQD-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN CC(C)CCOc1cccnc1[N+](=O)[O-] ZINC000096550139 388823089 /nfs/dbraw/zinc/82/30/89/388823089.db2.gz JIIARTXFLZNYHG-UHFFFAOYSA-N 0 0 210.233 2.415 20 5 BEBDRN CC(C)(CCO)CNc1sccc1[N+](=O)[O-] ZINC000302001395 388836092 /nfs/dbraw/zinc/83/60/92/388836092.db2.gz JHGWWUQECGYMIX-UHFFFAOYSA-N 0 0 244.316 2.477 20 5 BEBDRN C[C@H](O)C[C@H](C)CNc1sccc1[N+](=O)[O-] ZINC000302045492 388837338 /nfs/dbraw/zinc/83/73/38/388837338.db2.gz XYFUNSBTDKIDLH-YUMQZZPRSA-N 0 0 244.316 2.475 20 5 BEBDRN CCSCCSc1ncc([N+](=O)[O-])cn1 ZINC000302235882 388841056 /nfs/dbraw/zinc/84/10/56/388841056.db2.gz VFVKKAQQEAAXLX-UHFFFAOYSA-N 0 0 245.329 2.230 20 5 BEBDRN C[C@@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000161832093 388842249 /nfs/dbraw/zinc/84/22/49/388842249.db2.gz KIPKFRNIBWLBNB-OCAPTIKFSA-N 0 0 238.243 2.201 20 5 BEBDRN CCN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000101735467 169685769 /nfs/dbraw/zinc/68/57/69/169685769.db2.gz HWLCUBWBMFNCKN-UHFFFAOYSA-N 0 0 237.259 2.387 20 5 BEBDRN C[C@H]1OCCN(c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000268822569 132193628 /nfs/dbraw/zinc/19/36/28/132193628.db2.gz PQFRUUULBNVGEI-NXEZZACHSA-N 0 0 236.271 2.208 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC=C(C)CC2)n1 ZINC000270064011 132195381 /nfs/dbraw/zinc/19/53/81/132195381.db2.gz PWOPZTUBNGAUCW-UHFFFAOYSA-N 0 0 233.271 2.455 20 5 BEBDRN Cc1ccnc(N2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000270051857 132195583 /nfs/dbraw/zinc/19/55/83/132195583.db2.gz CHQMSMQHTFCURA-UHFFFAOYSA-N 0 0 233.271 2.455 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H]3CCC[C@@H]32)nc1 ZINC000273607510 132202253 /nfs/dbraw/zinc/20/22/53/132202253.db2.gz KXHWNYOGJHXIDA-ONGXEEELSA-N 0 0 248.286 2.154 20 5 BEBDRN Nc1ccc(N2CCC=C(F)C2)c([N+](=O)[O-])c1 ZINC000286429095 132214748 /nfs/dbraw/zinc/21/47/48/132214748.db2.gz HXZVTRIICPJAKY-UHFFFAOYSA-N 0 0 237.234 2.241 20 5 BEBDRN C[C@]1(F)CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000294961233 132220037 /nfs/dbraw/zinc/22/00/37/132220037.db2.gz NLBKSTXQYDZYOG-NSHDSACASA-N 0 0 239.250 2.318 20 5 BEBDRN C[C@@H]1CO[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000298309158 132222242 /nfs/dbraw/zinc/22/22/42/132222242.db2.gz NZIXVSWAAQEMPO-ZJUUUORDSA-N 0 0 236.271 2.208 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCO[C@@H](C3CC3)C2)cc1 ZINC000375333440 132287789 /nfs/dbraw/zinc/28/77/89/132287789.db2.gz PRFMUUCAADQVDQ-CYBMUJFWSA-N 0 0 248.282 2.210 20 5 BEBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]1C1CC1 ZINC000334527954 133686779 /nfs/dbraw/zinc/68/67/79/133686779.db2.gz SOBLEULRQWJAFE-GFCCVEGCSA-N 0 0 246.266 2.219 20 5 BEBDRN CN(C(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000335410789 133858831 /nfs/dbraw/zinc/85/88/31/133858831.db2.gz WRCGUSSRZYUGCI-UHFFFAOYSA-N 0 0 236.271 2.465 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC12CC2 ZINC000335509669 133870909 /nfs/dbraw/zinc/87/09/09/133870909.db2.gz GEUSYXOOEDGQFL-SNVBAGLBSA-N 0 0 246.266 2.186 20 5 BEBDRN C[C@@H](O)C[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000167406908 133970170 /nfs/dbraw/zinc/97/01/70/133970170.db2.gz LLEURDHEHSZQKC-HTQZYQBOSA-N 0 0 242.250 2.305 20 5 BEBDRN C[C@H]1CC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000335947348 134020768 /nfs/dbraw/zinc/02/07/68/134020768.db2.gz XGKOPNXNFVQLCA-POYBYMJQSA-N 0 0 240.284 2.185 20 5 BEBDRN Cc1ccc(CN2CC(F)C2)cc1[N+](=O)[O-] ZINC000335996377 134042071 /nfs/dbraw/zinc/04/20/71/134042071.db2.gz ASMCKYRQXCVMHC-UHFFFAOYSA-N 0 0 224.235 2.057 20 5 BEBDRN C[C@@H]1C[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000336014513 134052652 /nfs/dbraw/zinc/05/26/52/134052652.db2.gz YRORWEMTHGBSQI-JGVFFNPUSA-N 0 0 238.243 2.058 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C1=CCC1 ZINC000336139320 134097306 /nfs/dbraw/zinc/09/73/06/134097306.db2.gz VYFOQIYAZSZZEA-UHFFFAOYSA-N 0 0 218.212 2.254 20 5 BEBDRN CC(C)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000172444586 134266105 /nfs/dbraw/zinc/26/61/05/134266105.db2.gz KVRNKJGUKKJURP-QMMMGPOBSA-N 0 0 240.259 2.210 20 5 BEBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000223238106 134337885 /nfs/dbraw/zinc/33/78/85/134337885.db2.gz IDDKKBOYFXQTCL-QMMMGPOBSA-N 0 0 232.243 2.491 20 5 BEBDRN Cc1cnc(N2CCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000408109582 134394126 /nfs/dbraw/zinc/39/41/26/134394126.db2.gz YKFVGWITJIAWNY-SECBINFHSA-N 0 0 239.250 2.237 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCc1ncccn1 ZINC000187892521 134474013 /nfs/dbraw/zinc/47/40/13/134474013.db2.gz YIJXJDNNKYZIFJ-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCc1cccnn1 ZINC000235749038 134809595 /nfs/dbraw/zinc/80/95/95/134809595.db2.gz HTMMSRBLGXUFEY-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc[nH]c1 ZINC000068227520 134892967 /nfs/dbraw/zinc/89/29/67/134892967.db2.gz ZJSWXTBWRUXOLN-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN C[NH+](C)CCSc1c(F)cccc1[N+](=O)[O-] ZINC000342555787 135288280 /nfs/dbraw/zinc/28/82/80/135288280.db2.gz WHACORCQRPUYEV-UHFFFAOYSA-N 0 0 244.291 2.388 20 5 BEBDRN Cc1cc(C(=O)N[C@H]2CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000334457257 135415195 /nfs/dbraw/zinc/41/51/95/135415195.db2.gz OYYCEFQIQFTOKT-KCJUWKMLSA-N 0 0 248.282 2.432 20 5 BEBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C1CCC1 ZINC000347953490 136019864 /nfs/dbraw/zinc/01/98/64/136019864.db2.gz JYMOJPUNEOHMHJ-UHFFFAOYSA-N 0 0 238.218 2.473 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]2C(F)F)nc1 ZINC000348217185 136046782 /nfs/dbraw/zinc/04/67/82/136046782.db2.gz JDWQOGWINTZMHF-NKWVEPMBSA-N 0 0 229.186 2.055 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@H]1C[C@@H]1C(F)F ZINC000348229344 136060122 /nfs/dbraw/zinc/06/01/22/136060122.db2.gz XJZOADJKNHVCHO-NTSWFWBYSA-N 0 0 229.186 2.055 20 5 BEBDRN CCC1CN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000335570853 136109140 /nfs/dbraw/zinc/10/91/40/136109140.db2.gz FVOPPUNPXHOIHF-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2(C(F)F)CC2)cn1 ZINC000359852843 397957410 /nfs/dbraw/zinc/95/74/10/397957410.db2.gz YWJHRGWYGGKZIK-UHFFFAOYSA-N 0 0 243.213 2.447 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCC2=CCCC2)nc1 ZINC000230874877 398065432 /nfs/dbraw/zinc/06/54/32/398065432.db2.gz GTLCJYWCIXCCNY-UHFFFAOYSA-N 0 0 234.259 2.297 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(N2CCc3ccccc32)n1 ZINC001651303462 1172941913 /nfs/dbraw/zinc/94/19/13/1172941913.db2.gz QTAHPKXJSZJLLP-UHFFFAOYSA-N 0 0 244.254 2.023 20 5 BEBDRN C[C@H](CO)Sc1ncc([N+](=O)[O-])cc1Cl ZINC000078676256 410050323 /nfs/dbraw/zinc/05/03/23/410050323.db2.gz BVBRHQCUZBISQC-RXMQYKEDSA-N 0 0 248.691 2.116 20 5 BEBDRN CC(C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000082563292 166702106 /nfs/dbraw/zinc/70/21/06/166702106.db2.gz JVESVEDVJAFRPO-UHFFFAOYSA-N 0 0 223.228 2.199 20 5 BEBDRN CC(C)CNc1cc(N)ccc1[N+](=O)[O-] ZINC000144834830 167017543 /nfs/dbraw/zinc/01/75/43/167017543.db2.gz JDQZMDCRWMANEF-UHFFFAOYSA-N 0 0 209.249 2.245 20 5 BEBDRN CC(C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000022159395 167148639 /nfs/dbraw/zinc/14/86/39/167148639.db2.gz UHCAHMRICXECJG-UHFFFAOYSA-N 0 0 226.261 2.124 20 5 BEBDRN CC(C)OC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000361092542 167173382 /nfs/dbraw/zinc/17/33/82/167173382.db2.gz KHPWLNKEQCUWKY-UHFFFAOYSA-N 0 0 241.247 2.007 20 5 BEBDRN Cc1cc(NCC(C)(C)O)c([N+](=O)[O-])s1 ZINC000596110854 411166501 /nfs/dbraw/zinc/16/65/01/411166501.db2.gz RMISMADFWKTIBG-UHFFFAOYSA-N 0 0 230.289 2.148 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000054547779 411322241 /nfs/dbraw/zinc/32/22/41/411322241.db2.gz HZWATFUPMZWNSQ-LDYMZIIASA-N 0 0 246.266 2.140 20 5 BEBDRN CCN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000112181472 169810588 /nfs/dbraw/zinc/81/05/88/169810588.db2.gz XCNLESWTIFDWDD-UHFFFAOYSA-N 0 0 238.243 2.060 20 5 BEBDRN CC1(C)[C@H](Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000129272448 168003332 /nfs/dbraw/zinc/00/33/32/168003332.db2.gz QQRMVEGYAZCQNH-MNOVXSKESA-N 0 0 236.271 2.166 20 5 BEBDRN CC1(C)[C@H](O)C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000129277347 168008446 /nfs/dbraw/zinc/00/84/46/168008446.db2.gz FMMQVQPAFRPCTD-GHMZBOCLSA-N 0 0 236.271 2.166 20 5 BEBDRN CCN(CC1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000264825797 169810941 /nfs/dbraw/zinc/81/09/41/169810941.db2.gz BSOOVFUAHNESSR-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN CC1(NC(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000125427823 168061990 /nfs/dbraw/zinc/06/19/90/168061990.db2.gz VAFSYKLDPOYVFG-UHFFFAOYSA-N 0 0 240.284 2.329 20 5 BEBDRN CC1=C[C@@H](C)CN(c2ncc([N+](=O)[O-])s2)C1 ZINC000336929990 168123945 /nfs/dbraw/zinc/12/39/45/168123945.db2.gz OTZJLXBIJOHZLN-SSDOTTSWSA-N 0 0 239.300 2.454 20 5 BEBDRN CCC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000050181648 168210439 /nfs/dbraw/zinc/21/04/39/168210439.db2.gz MKHGHQSMKMFRDA-UHFFFAOYSA-N 0 0 227.191 2.092 20 5 BEBDRN CCC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177858980 168236404 /nfs/dbraw/zinc/23/64/04/168236404.db2.gz KOSJGWGRMVKBOG-VIFPVBQESA-N 0 0 236.271 2.490 20 5 BEBDRN CCC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177858990 168238677 /nfs/dbraw/zinc/23/86/77/168238677.db2.gz KOSJGWGRMVKBOG-SECBINFHSA-N 0 0 236.271 2.490 20 5 BEBDRN CC[C@H]1CCN1c1ncc([N+](=O)[O-])s1 ZINC000292455023 411399471 /nfs/dbraw/zinc/39/94/71/411399471.db2.gz ZKHVFIVFPPUTTF-LURJTMIESA-N 0 0 213.262 2.040 20 5 BEBDRN CC1(C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000524813949 411399720 /nfs/dbraw/zinc/39/97/20/411399720.db2.gz JBBZSIOJWWURLM-UHFFFAOYSA-N 0 0 234.255 2.219 20 5 BEBDRN CCN(CCOC)c1ccccc1[N+](=O)[O-] ZINC000352694805 169867925 /nfs/dbraw/zinc/86/79/25/169867925.db2.gz ZSVXZJXEKSNGDD-UHFFFAOYSA-N 0 0 224.260 2.068 20 5 BEBDRN CCOCCN(C)c1c(C)cccc1[N+](=O)[O-] ZINC000133481513 170391818 /nfs/dbraw/zinc/39/18/18/170391818.db2.gz CQXAUWGSWBNIOR-UHFFFAOYSA-N 0 0 238.287 2.376 20 5 BEBDRN CC[C@@H](C)CN(C)c1ccncc1[N+](=O)[O-] ZINC000340588065 170699875 /nfs/dbraw/zinc/69/98/75/170699875.db2.gz PONLCVHNZWLNNB-SECBINFHSA-N 0 0 223.276 2.472 20 5 BEBDRN CC[C@@H](C)N(CCO)c1ccccc1[N+](=O)[O-] ZINC000288437574 170730861 /nfs/dbraw/zinc/73/08/61/170730861.db2.gz IICUAWRCOHCGAK-SNVBAGLBSA-N 0 0 238.287 2.192 20 5 BEBDRN CC[C@@H](C)[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000042557136 170775446 /nfs/dbraw/zinc/77/54/46/170775446.db2.gz MRXFCQSQWAYTTM-HTQZYQBOSA-N 0 0 240.307 2.483 20 5 BEBDRN CC[C@@H](C)[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000042556887 170792306 /nfs/dbraw/zinc/79/23/06/170792306.db2.gz WMCVVJKQZLLVHN-SFYZADRCSA-N 0 0 224.264 2.231 20 5 BEBDRN CC[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193473422 171014191 /nfs/dbraw/zinc/01/41/91/171014191.db2.gz QSPIWGAIPGQPQT-SECBINFHSA-N 0 0 235.287 2.413 20 5 BEBDRN CC[C@@H]1CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000297809449 171022150 /nfs/dbraw/zinc/02/21/50/171022150.db2.gz LLQXDEWSHYAFTE-SECBINFHSA-N 0 0 234.255 2.219 20 5 BEBDRN CC[C@@H]1CCN1c1ncc(C)cc1[N+](=O)[O-] ZINC000292187216 171026325 /nfs/dbraw/zinc/02/63/25/171026325.db2.gz FWTSQHZDRAUBEI-SECBINFHSA-N 0 0 221.260 2.287 20 5 BEBDRN CC[C@@H]1C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000227013457 171142355 /nfs/dbraw/zinc/14/23/55/171142355.db2.gz IXUKMZQNRWYSCF-HTQZYQBOSA-N 0 0 207.233 2.200 20 5 BEBDRN CC[C@@](C)(CO)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000083876399 171171172 /nfs/dbraw/zinc/17/11/72/171171172.db2.gz GCONBKDKQGCKKQ-LBPRGKRZSA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000175667993 171255894 /nfs/dbraw/zinc/25/58/94/171255894.db2.gz GWENFUUOCJRRLH-ZETCQYMHSA-N 0 0 237.259 2.283 20 5 BEBDRN CC[C@H](C)Cn1c(C)ccc([N+](=O)[O-])c1=O ZINC000276260900 171301017 /nfs/dbraw/zinc/30/10/17/171301017.db2.gz SJOXGJBQDGNTIY-QMMMGPOBSA-N 0 0 224.260 2.111 20 5 BEBDRN CC[C@H](C)N(C)c1ncccc1[N+](=O)[O-] ZINC000301625120 171309453 /nfs/dbraw/zinc/30/94/53/171309453.db2.gz POIRIWOPIXTJBW-QMMMGPOBSA-N 0 0 209.249 2.225 20 5 BEBDRN CC[C@H](C)[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000042556884 171367671 /nfs/dbraw/zinc/36/76/71/171367671.db2.gz WMCVVJKQZLLVHN-JGVFFNPUSA-N 0 0 224.264 2.231 20 5 BEBDRN CC[C@H]1CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000294143727 171634995 /nfs/dbraw/zinc/63/49/95/171634995.db2.gz UUGQFWBOZMGWLI-NSHDSACASA-N 0 0 248.282 2.148 20 5 BEBDRN CCc1nnc(CNc2ccccc2[N+](=O)[O-])o1 ZINC000341011768 172053254 /nfs/dbraw/zinc/05/32/54/172053254.db2.gz JPQVRKDAPHHYSU-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CCc1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000264600515 172072523 /nfs/dbraw/zinc/07/25/23/172072523.db2.gz HSNHVSKLXHOBIE-UHFFFAOYSA-N 0 0 225.229 2.269 20 5 BEBDRN CCc1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000264632654 172084792 /nfs/dbraw/zinc/08/47/92/172084792.db2.gz OOVQVVXOMUAOOI-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CCc1noc(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000269594042 172087119 /nfs/dbraw/zinc/08/71/19/172087119.db2.gz FQOFTXJMMWCEMD-UHFFFAOYSA-N 0 0 247.254 2.439 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N(C)CC(C)C ZINC000360910592 172136983 /nfs/dbraw/zinc/13/69/83/172136983.db2.gz VXUSYQLZRPACIT-UHFFFAOYSA-N 0 0 240.307 2.212 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC1(C)C ZINC000288143803 172137815 /nfs/dbraw/zinc/13/78/15/172137815.db2.gz NOTWPRWVXFBFEA-MRVPVSSYSA-N 0 0 238.291 2.330 20 5 BEBDRN CCn1cc(Nc2ccc([N+](=O)[O-])c(C)n2)cn1 ZINC000161525859 172187973 /nfs/dbraw/zinc/18/79/73/172187973.db2.gz NXXGTYZEYKDMOD-UHFFFAOYSA-N 0 0 247.258 2.258 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[C@@H]1C ZINC000336721965 172248873 /nfs/dbraw/zinc/24/88/73/172248873.db2.gz XSRXZKXVXFIHKA-IONNQARKSA-N 0 0 238.291 2.330 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[C@@H]1C ZINC000336721962 172249041 /nfs/dbraw/zinc/24/90/41/172249041.db2.gz XSRXZKXVXFIHKA-CBAPKCEASA-N 0 0 238.291 2.330 20 5 BEBDRN CN(C(=O)C1=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000334148772 172296487 /nfs/dbraw/zinc/29/64/87/172296487.db2.gz GOAJDLYZWQBRQP-UHFFFAOYSA-N 0 0 232.239 2.278 20 5 BEBDRN CN(CC1CC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000301253906 172653046 /nfs/dbraw/zinc/65/30/46/172653046.db2.gz CMTNKTNPJIQLJL-UHFFFAOYSA-N 0 0 241.678 2.489 20 5 BEBDRN COCCCN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000288557999 174220855 /nfs/dbraw/zinc/22/08/55/174220855.db2.gz TYRXAKFEQLXHBV-UHFFFAOYSA-N 0 0 242.250 2.207 20 5 BEBDRN COCCCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000096470294 174252207 /nfs/dbraw/zinc/25/22/07/174252207.db2.gz VTKHECQPSWGDCA-UHFFFAOYSA-N 0 0 240.259 2.052 20 5 BEBDRN COCCCSc1ncccc1[N+](=O)[O-] ZINC000120442173 174259702 /nfs/dbraw/zinc/25/97/02/174259702.db2.gz BQIFCYNXJAAAGO-UHFFFAOYSA-N 0 0 228.273 2.118 20 5 BEBDRN COCCOc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000283142834 174367582 /nfs/dbraw/zinc/36/75/82/174367582.db2.gz URTXVIPHTUOAIB-UHFFFAOYSA-N 0 0 249.625 2.413 20 5 BEBDRN COCCSc1ccc([N+](=O)[O-])cc1 ZINC000270255819 174376203 /nfs/dbraw/zinc/37/62/03/174376203.db2.gz WDYKCPZOXIZKKA-UHFFFAOYSA-N 0 0 213.258 2.333 20 5 BEBDRN COC[C@@H](Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126222619 174488801 /nfs/dbraw/zinc/48/88/01/174488801.db2.gz PNSUHWVYVNQFEF-LLVKDONJSA-N 0 0 236.271 2.432 20 5 BEBDRN COC[C@H](Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000126222418 174587869 /nfs/dbraw/zinc/58/78/69/174587869.db2.gz PNSUHWVYVNQFEF-NSHDSACASA-N 0 0 236.271 2.432 20 5 BEBDRN COc1cc(OCCCF)ccc1[N+](=O)[O-] ZINC000279987472 175012247 /nfs/dbraw/zinc/01/22/47/175012247.db2.gz QQAJANVVBUFCBU-UHFFFAOYSA-N 0 0 229.207 2.342 20 5 BEBDRN COc1cc(OC[C@@H](C)OC)ccc1[N+](=O)[O-] ZINC000280039513 175012398 /nfs/dbraw/zinc/01/23/98/175012398.db2.gz WURFPCKVUNTXEM-MRVPVSSYSA-N 0 0 241.243 2.017 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1OC[C@@H](C)OC ZINC000180979559 175018909 /nfs/dbraw/zinc/01/89/09/175018909.db2.gz MDEQGKCYJMDPBU-MRVPVSSYSA-N 0 0 241.243 2.017 20 5 BEBDRN COc1ccc(CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000133418820 175094302 /nfs/dbraw/zinc/09/43/02/175094302.db2.gz BDJKBLKINISVLM-UHFFFAOYSA-N 0 0 247.254 2.043 20 5 BEBDRN COc1ccc(OCC2CC2)c([N+](=O)[O-])c1 ZINC000268587209 175172018 /nfs/dbraw/zinc/17/20/18/175172018.db2.gz MCFLAYIKVCBFAG-UHFFFAOYSA-N 0 0 223.228 2.392 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1CSC ZINC000105632485 175201283 /nfs/dbraw/zinc/20/12/83/175201283.db2.gz AQDOAANXLPLOIH-UHFFFAOYSA-N 0 0 213.258 2.466 20 5 BEBDRN COc1cccc(Cn2cc(C)c([N+](=O)[O-])n2)c1 ZINC000281112437 175273788 /nfs/dbraw/zinc/27/37/88/175273788.db2.gz GMZYGCXGGFSJPH-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN COc1cccc(NC[C@@H](C)OC)c1[N+](=O)[O-] ZINC000224339839 175279473 /nfs/dbraw/zinc/27/94/73/175279473.db2.gz YKLUQDQILBKYDY-MRVPVSSYSA-N 0 0 240.259 2.050 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1OC1CC1 ZINC000095728542 175297460 /nfs/dbraw/zinc/29/74/60/175297460.db2.gz QJODPBKORDEYKQ-UHFFFAOYSA-N 0 0 209.201 2.145 20 5 BEBDRN CSCCOc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359055622 175501640 /nfs/dbraw/zinc/50/16/40/175501640.db2.gz NQDRLAVDWDIPLN-UHFFFAOYSA-N 0 0 242.300 2.348 20 5 BEBDRN CSCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000334778253 175533310 /nfs/dbraw/zinc/53/33/10/175533310.db2.gz LIBJYURJAFTQTP-UHFFFAOYSA-N 0 0 223.257 2.334 20 5 BEBDRN C[C@@H](CCCO)CNc1ccccc1[N+](=O)[O-] ZINC000294871012 175666756 /nfs/dbraw/zinc/66/67/56/175666756.db2.gz DDYJIRHDUSIZIJ-JTQLQIEISA-N 0 0 238.287 2.415 20 5 BEBDRN C[C@@H](CCO)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000133347068 175682720 /nfs/dbraw/zinc/68/27/20/175682720.db2.gz LFGUIFQSRLAGFO-ZETCQYMHSA-N 0 0 244.678 2.431 20 5 BEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000053297351 175931202 /nfs/dbraw/zinc/93/12/02/175931202.db2.gz ZEWIWVSLEIMUFN-SSDOTTSWSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000173154096 176107411 /nfs/dbraw/zinc/10/74/11/176107411.db2.gz QLRAUUHICQNNCQ-SSDOTTSWSA-N 0 0 240.284 2.281 20 5 BEBDRN C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000177115625 176163523 /nfs/dbraw/zinc/16/35/23/176163523.db2.gz HGHWUMJBWCBBBW-NXEZZACHSA-N 0 0 248.282 2.465 20 5 BEBDRN C[C@@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H]1C ZINC000281839645 176320687 /nfs/dbraw/zinc/32/06/87/176320687.db2.gz IULPNHYTXZBMBJ-RNFRBKRXSA-N 0 0 227.289 2.144 20 5 BEBDRN C[C@@H]1COCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000371097037 176333166 /nfs/dbraw/zinc/33/31/66/176333166.db2.gz ACEDNGZQHHBXDE-JTQLQIEISA-N 0 0 236.271 2.068 20 5 BEBDRN C[C@@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000124333231 176397944 /nfs/dbraw/zinc/39/79/44/176397944.db2.gz OEHFEMABHSXWCN-HTQZYQBOSA-N 0 0 207.233 2.058 20 5 BEBDRN C[C@@]1(Nc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000160001017 176540153 /nfs/dbraw/zinc/54/01/53/176540153.db2.gz HKZHJDLOGZLSOF-LLVKDONJSA-N 0 0 240.234 2.325 20 5 BEBDRN C[C@H](c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1)C1CC1 ZINC000273837441 177055420 /nfs/dbraw/zinc/05/54/20/177055420.db2.gz BIHOSUFPVRQVBT-LURJTMIESA-N 0 0 248.242 2.486 20 5 BEBDRN C[C@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000173122117 177106522 /nfs/dbraw/zinc/10/65/22/177106522.db2.gz ZHOVBXMCMDWXJL-JTQLQIEISA-N 0 0 248.282 2.148 20 5 BEBDRN C[C@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000060249415 177108330 /nfs/dbraw/zinc/10/83/30/177108330.db2.gz LDLSDDWCZMKILI-VIFPVBQESA-N 0 0 234.255 2.219 20 5 BEBDRN C[C@H]1CCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330446618 177111068 /nfs/dbraw/zinc/11/10/68/177111068.db2.gz DYNJMESOIBECMN-VIFPVBQESA-N 0 0 236.271 2.285 20 5 BEBDRN C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000299678318 177151359 /nfs/dbraw/zinc/15/13/59/177151359.db2.gz VLSLWHOZLZYZBT-VIFPVBQESA-N 0 0 249.270 2.469 20 5 BEBDRN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000299695557 177153591 /nfs/dbraw/zinc/15/35/91/177153591.db2.gz XPUWQXGWXQJZEZ-VIFPVBQESA-N 0 0 234.255 2.077 20 5 BEBDRN C[C@@H]1[C@@H](C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000177115705 177154486 /nfs/dbraw/zinc/15/44/86/177154486.db2.gz MEBPERYVMROCKV-VHSXEESVSA-N 0 0 248.282 2.465 20 5 BEBDRN C[C@@H]1[C@@H](C)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000267602136 177170922 /nfs/dbraw/zinc/17/09/22/177170922.db2.gz FOJFUEKQMPPZLF-DTWKUNHWSA-N 0 0 221.260 2.225 20 5 BEBDRN C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000294091388 177221609 /nfs/dbraw/zinc/22/16/09/177221609.db2.gz BSURXTCATUTRQJ-IUCAKERBSA-N 0 0 249.270 2.467 20 5 BEBDRN C[C@H]1COCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000277733965 177297016 /nfs/dbraw/zinc/29/70/16/177297016.db2.gz TXVAVHAYCCJAOR-JOYOIKCWSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)CCO1 ZINC000235716047 177372931 /nfs/dbraw/zinc/37/29/31/177372931.db2.gz PWLDGVFSCGVCPJ-NKWVEPMBSA-N 0 0 243.288 2.031 20 5 BEBDRN C[C@H]1C[C@H]1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000352472350 177378291 /nfs/dbraw/zinc/37/82/91/177378291.db2.gz CBMRLKXYZJAYGB-ONGXEEELSA-N 0 0 248.282 2.257 20 5 BEBDRN C[C@H]1C[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000136089101 177382325 /nfs/dbraw/zinc/38/23/25/177382325.db2.gz ZGCGDTIRLKAZGR-YUMQZZPRSA-N 0 0 207.233 2.058 20 5 BEBDRN Cc1c(C(=O)N2CC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000299732019 177563385 /nfs/dbraw/zinc/56/33/85/177563385.db2.gz ZHKKKNUCZKKMSL-VIFPVBQESA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1cc(COc2cccc([N+](=O)[O-])c2)ncn1 ZINC000488264336 225356946 /nfs/dbraw/zinc/35/69/46/225356946.db2.gz PBTKMAQTNIRQDB-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN Cc1ncc(COc2ccccc2[N+](=O)[O-])cn1 ZINC000505455429 226355468 /nfs/dbraw/zinc/35/54/68/226355468.db2.gz LMRSFMLCDJEBKX-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H](C2CC2)C2CCC2)nc1 ZINC000324802013 262795581 /nfs/dbraw/zinc/79/55/81/262795581.db2.gz PPCNLZUWHNGMCM-NSHDSACASA-N 0 0 248.286 2.375 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCC(F)F ZINC000075059984 487825685 /nfs/dbraw/zinc/82/56/85/487825685.db2.gz RFCXPHJJPCJYTG-UHFFFAOYSA-N 0 0 202.160 2.272 20 5 BEBDRN CC(C)(O)CCSc1ccc([N+](=O)[O-])nc1 ZINC000566482056 323001207 /nfs/dbraw/zinc/00/12/07/323001207.db2.gz LZYCTVKJUQRVBZ-UHFFFAOYSA-N 0 0 242.300 2.243 20 5 BEBDRN C[C@@H]1C[C@H]1c1noc(-c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000570094641 323049654 /nfs/dbraw/zinc/04/96/54/323049654.db2.gz JJRWOVZDILTOKL-IYSWYEEDSA-N 0 0 234.215 2.096 20 5 BEBDRN CCC(=O)CSc1ccc([N+](=O)[O-])cn1 ZINC000160154077 323061432 /nfs/dbraw/zinc/06/14/32/323061432.db2.gz QXOIBPGAJNXONM-UHFFFAOYSA-N 0 0 226.257 2.061 20 5 BEBDRN COC[C@@H](C)Sc1ccc([N+](=O)[O-])cn1 ZINC000160346689 323064963 /nfs/dbraw/zinc/06/49/63/323064963.db2.gz BPHZJEUDNQNKJA-SSDOTTSWSA-N 0 0 228.273 2.117 20 5 BEBDRN CC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628331 323110708 /nfs/dbraw/zinc/11/07/08/323110708.db2.gz ZWHIVWYLQNJULV-VIFPVBQESA-N 0 0 249.270 2.004 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCc1ccno1 ZINC000534399631 323118335 /nfs/dbraw/zinc/11/83/35/323118335.db2.gz RRXQOUHIPIWFIO-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](F)C2)cc1 ZINC000451190953 323142590 /nfs/dbraw/zinc/14/25/90/323142590.db2.gz QUJDLIWEBWXJLD-NSHDSACASA-N 0 0 238.262 2.181 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2ccoc2)nc1 ZINC000049000154 323156477 /nfs/dbraw/zinc/15/64/77/323156477.db2.gz LIZHHCOZSNXKTH-UHFFFAOYSA-N 0 0 219.200 2.195 20 5 BEBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000049379803 323160027 /nfs/dbraw/zinc/16/00/27/323160027.db2.gz DXBHUUULXQMZDJ-UHFFFAOYSA-N 0 0 246.222 2.118 20 5 BEBDRN Cc1nccn1Cc1cccc([N+](=O)[O-])c1 ZINC000070163313 323170046 /nfs/dbraw/zinc/17/00/46/323170046.db2.gz AVPZENMQMAQYID-UHFFFAOYSA-N 0 0 217.228 2.148 20 5 BEBDRN CC[C@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046147521 323859320 /nfs/dbraw/zinc/85/93/20/323859320.db2.gz MFNHSWREOAUYMC-VIFPVBQESA-N 0 0 236.271 2.257 20 5 BEBDRN Cc1ccnc(N2[C@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000530431844 324595287 /nfs/dbraw/zinc/59/52/87/324595287.db2.gz MFDLQMCANSFRNV-DTORHVGOSA-N 0 0 221.260 2.285 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCc1ccc(O)cc1 ZINC000131253627 325130536 /nfs/dbraw/zinc/13/05/36/325130536.db2.gz BNQCCEYYJDATIN-UHFFFAOYSA-N 0 0 245.238 2.308 20 5 BEBDRN C[C@H](N(C)c1ncc([N+](=O)[O-])cn1)C(C)(C)C ZINC000546899405 325317355 /nfs/dbraw/zinc/31/73/55/325317355.db2.gz QLKBDTDLMDDGHN-QMMMGPOBSA-N 0 0 238.291 2.256 20 5 BEBDRN C[C@H]1C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000547183156 325330508 /nfs/dbraw/zinc/33/05/08/325330508.db2.gz RTXPUPAQQBZWSW-XPUUQOCRSA-N 0 0 246.226 2.163 20 5 BEBDRN C[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000601124738 487967742 /nfs/dbraw/zinc/96/77/42/487967742.db2.gz JBHMPUSIEZIVNT-OCAPTIKFSA-N 0 0 239.250 2.221 20 5 BEBDRN O=C(N[C@@H]1C=CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000157895206 326299147 /nfs/dbraw/zinc/29/91/47/326299147.db2.gz VJDHEFWVXSWDSA-MRVPVSSYSA-N 0 0 236.227 2.026 20 5 BEBDRN O=C(N[C@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000157931299 326300737 /nfs/dbraw/zinc/30/07/37/326300737.db2.gz OQBSJPNVTVMZEP-NSHDSACASA-N 0 0 246.266 2.433 20 5 BEBDRN Cc1ccnc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000339304206 488018871 /nfs/dbraw/zinc/01/88/71/488018871.db2.gz IPCSJJIBJYUMLZ-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1N1CC[C@H]2C[C@H]21 ZINC000804688654 582526121 /nfs/dbraw/zinc/52/61/21/582526121.db2.gz PRZBWKXJWMOPFW-OIBJUYFYSA-N 0 0 222.219 2.333 20 5 BEBDRN C/C(=C/C(C)(C)C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813104620 582580765 /nfs/dbraw/zinc/58/07/65/582580765.db2.gz FKPYAWCOOQZOSF-XZLDQRQTSA-N 0 0 229.276 2.187 20 5 BEBDRN CCCCS[C@H](C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813106239 582581339 /nfs/dbraw/zinc/58/13/39/582581339.db2.gz BEYPOTIPZOGRID-RKDXNWHRSA-N 0 0 249.332 2.117 20 5 BEBDRN CCCCCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298864669 517553545 /nfs/dbraw/zinc/55/35/45/517553545.db2.gz LJEASYMLQQXCAN-UHFFFAOYSA-N 0 0 239.275 2.233 20 5 BEBDRN C=C=CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493672597 526913229 /nfs/dbraw/zinc/91/32/29/526913229.db2.gz HVSUUCFCQSFCGN-RMKNXTFCSA-N 0 0 244.250 2.065 20 5 BEBDRN CC1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000492758098 528271871 /nfs/dbraw/zinc/27/18/71/528271871.db2.gz DUITVSYXPSOIOS-DAXSKMNVSA-N 0 0 246.266 2.086 20 5 BEBDRN CC1(C)C[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000226234913 534920082 /nfs/dbraw/zinc/92/00/82/534920082.db2.gz JRCVZCHODGTQKS-QMMMGPOBSA-N 0 0 221.260 2.448 20 5 BEBDRN CCNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000186069934 535449397 /nfs/dbraw/zinc/44/93/97/535449397.db2.gz BORCCPYQTFQQSC-UHFFFAOYSA-N 0 0 240.284 2.066 20 5 BEBDRN CC[C@@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000344427607 535820792 /nfs/dbraw/zinc/82/07/92/535820792.db2.gz FYCGZPXSICDWED-SECBINFHSA-N 0 0 221.260 2.369 20 5 BEBDRN CN(CC1=CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000853837470 588765451 /nfs/dbraw/zinc/76/54/51/588765451.db2.gz WNRADVNAIXBTEJ-UHFFFAOYSA-N 0 0 248.282 2.378 20 5 BEBDRN O=C(OCC1CC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000111678149 588766354 /nfs/dbraw/zinc/76/63/54/588766354.db2.gz QTGJRXAKXRCNQV-UHFFFAOYSA-N 0 0 239.202 2.301 20 5 BEBDRN Nc1ccc(NC(=O)C2=CCCC2)cc1[N+](=O)[O-] ZINC000854497237 588789592 /nfs/dbraw/zinc/78/95/92/588789592.db2.gz LDCVCTKLGLNQPM-UHFFFAOYSA-N 0 0 247.254 2.226 20 5 BEBDRN CC[C@@H](C)N(CC)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000855145210 588824064 /nfs/dbraw/zinc/82/40/64/588824064.db2.gz KIUJDSPBCLPSAZ-SNVBAGLBSA-N 0 0 244.335 2.469 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(N2CC[C@@H]3C[C@@H]32)c(F)c1 ZINC000804689946 582527395 /nfs/dbraw/zinc/52/73/95/582527395.db2.gz VPCWSLJXFDCQGW-LDWIPMOCSA-N 0 0 240.209 2.472 20 5 BEBDRN C[C@@H]1CC[C@@H](CC(=O)OCCC[N+](=O)[O-])C1 ZINC000860917436 582553640 /nfs/dbraw/zinc/55/36/40/582553640.db2.gz LACXVEJZHPBXOO-NXEZZACHSA-N 0 0 229.276 2.023 20 5 BEBDRN C[C@@H]1CC[C@H](CC(=O)OCCC[N+](=O)[O-])C1 ZINC000860917443 582553866 /nfs/dbraw/zinc/55/38/66/582553866.db2.gz LACXVEJZHPBXOO-ZJUUUORDSA-N 0 0 229.276 2.023 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]3C[C@@H]32)n1 ZINC000804784661 582556719 /nfs/dbraw/zinc/55/67/19/582556719.db2.gz QSRWADVKKLFELK-KOLCDFICSA-N 0 0 233.271 2.287 20 5 BEBDRN CC[C@H](CC(=O)OC[C@@H](C)[N+](=O)[O-])C(C)C ZINC000813108267 582586456 /nfs/dbraw/zinc/58/64/56/582586456.db2.gz XBWWUVJWXWEGPW-NXEZZACHSA-N 0 0 231.292 2.267 20 5 BEBDRN CC[C@H]1CC[C@H](C(=O)OC[C@@H](C)[N+](=O)[O-])CC1 ZINC000813111895 582588977 /nfs/dbraw/zinc/58/89/77/582588977.db2.gz XQVXNVSVCZHKTD-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN NC(CC1CC1)=NOCc1cccc([N+](=O)[O-])c1 ZINC000742364558 582660574 /nfs/dbraw/zinc/66/05/74/582660574.db2.gz GFWILUQENTUUSD-UHFFFAOYSA-N 0 0 249.270 2.393 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NC[C@H]1CC=CCC1 ZINC000892035994 582768126 /nfs/dbraw/zinc/76/81/26/582768126.db2.gz OTXMNWWZPJRVLS-VIFPVBQESA-N 0 0 236.275 2.097 20 5 BEBDRN Cc1ccc(OC(=O)CCF)c([N+](=O)[O-])c1 ZINC000892528539 582906669 /nfs/dbraw/zinc/90/66/69/582906669.db2.gz LYRPZLDRPNJGKH-UHFFFAOYSA-N 0 0 227.191 2.168 20 5 BEBDRN CC(C)(COC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)[N+](=O)[O-] ZINC000851130042 582947336 /nfs/dbraw/zinc/94/73/36/582947336.db2.gz VBZYMQBLWYLEMY-AEJSXWLSSA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@@H]1CCC[C@]1(C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000893048765 583038045 /nfs/dbraw/zinc/03/80/45/583038045.db2.gz YCVGJCXONVMFCD-FOGDFJRCSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@@H]1CCC[C@@]1(C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000893077780 583043260 /nfs/dbraw/zinc/04/32/60/583043260.db2.gz VCLGXZVSSOEHNV-CKYFFXLPSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1c(CNC(=O)[C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000616489439 583086107 /nfs/dbraw/zinc/08/61/07/583086107.db2.gz XNCPGMKMEWVYPS-KCJUWKMLSA-N 0 0 248.282 2.175 20 5 BEBDRN C[C@@H]1CCC[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000893674503 583195271 /nfs/dbraw/zinc/19/52/71/583195271.db2.gz BBPKMCYOLJVNQY-BDAKNGLRSA-N 0 0 238.291 2.176 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@H]1CCCC[C@H]1C ZINC000814039669 583337672 /nfs/dbraw/zinc/33/76/72/583337672.db2.gz VISMNIQWMJETFJ-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)CC1(C)CCCC1 ZINC000814044512 583339479 /nfs/dbraw/zinc/33/94/79/583339479.db2.gz GQASLVRTDWRJQB-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN CCCc1occc1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814046880 583339582 /nfs/dbraw/zinc/33/95/82/583339582.db2.gz PTYFNWHPMFAWOH-QMMMGPOBSA-N 0 0 241.243 2.054 20 5 BEBDRN CCN(CC[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000791052135 583384565 /nfs/dbraw/zinc/38/45/65/583384565.db2.gz LWAASHDEVPZKPS-SNVBAGLBSA-N 0 0 238.287 2.052 20 5 BEBDRN CC[C@@H](C)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](C)CC ZINC000841171939 583389148 /nfs/dbraw/zinc/38/91/48/583389148.db2.gz BJPRMWKLUPKJAR-LMLFDSFASA-N 0 0 242.319 2.077 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000894281845 583409143 /nfs/dbraw/zinc/40/91/43/583409143.db2.gz UZSSAUGIHATRKJ-AYMMMOKOSA-N 0 0 249.270 2.209 20 5 BEBDRN CC/C=C/COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000727047376 583595272 /nfs/dbraw/zinc/59/52/72/583595272.db2.gz QJYWSSPIUSVCIE-SNAWJCMRSA-N 0 0 238.243 2.056 20 5 BEBDRN CC(C)(/C=C/Cl)Nc1ncc([N+](=O)[O-])cn1 ZINC000895916104 583746322 /nfs/dbraw/zinc/74/63/22/583746322.db2.gz VTPWATNAPCFMKT-ONEGZZNKSA-N 0 0 242.666 2.328 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCCC(=O)[C@@H]2C)c1 ZINC000896336511 583792575 /nfs/dbraw/zinc/79/25/75/583792575.db2.gz MXSMKJPAPCYMGD-JTQLQIEISA-N 0 0 248.282 2.461 20 5 BEBDRN C[C@@H]1C(=O)CCCN1c1ccccc1[N+](=O)[O-] ZINC000896337553 583792634 /nfs/dbraw/zinc/79/26/34/583792634.db2.gz SVYGZDZCQYLVFD-SECBINFHSA-N 0 0 234.255 2.153 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@H]1C[C@H](CO)C1 ZINC000896691288 583822210 /nfs/dbraw/zinc/82/22/10/583822210.db2.gz WCPAHRGCBVQAPN-MGCOHNPYSA-N 0 0 236.271 2.086 20 5 BEBDRN O=[N+]([O-])c1sccc1SC1COC1 ZINC000896963264 583864932 /nfs/dbraw/zinc/86/49/32/583864932.db2.gz YADLVJCOFWWIDD-UHFFFAOYSA-N 0 0 217.271 2.147 20 5 BEBDRN O=C(Oc1cccc([N+](=O)[O-])c1)C12CC(C1)C2 ZINC000858188421 588938342 /nfs/dbraw/zinc/93/83/42/588938342.db2.gz SIAUATKRHMVFIE-UHFFFAOYSA-N 0 0 233.223 2.300 20 5 BEBDRN CO[C@@H]1CC[C@@H]1N(C)c1ccsc1[N+](=O)[O-] ZINC000897142925 583884087 /nfs/dbraw/zinc/88/40/87/583884087.db2.gz VOMRXAPTOHMXOY-IONNQARKSA-N 0 0 242.300 2.270 20 5 BEBDRN CO[C@H]1CC[C@@H]1N(C)c1ccccc1[N+](=O)[O-] ZINC000897149276 583885143 /nfs/dbraw/zinc/88/51/43/583885143.db2.gz RRDQTEDTTYJEGE-RYUDHWBXSA-N 0 0 236.271 2.208 20 5 BEBDRN CO[C@H]1CC[C@@H]1N(C)c1ccc([N+](=O)[O-])s1 ZINC000897149482 583885210 /nfs/dbraw/zinc/88/52/10/583885210.db2.gz SXJZLEQSNRUCNQ-YUMQZZPRSA-N 0 0 242.300 2.270 20 5 BEBDRN CO[C@@H]1CC[C@@H]1N(C)c1sccc1[N+](=O)[O-] ZINC000897147748 583886074 /nfs/dbraw/zinc/88/60/74/583886074.db2.gz QJGURFURFYUYSO-IONNQARKSA-N 0 0 242.300 2.270 20 5 BEBDRN O=[N+]([O-])c1cnn(CCC(F)=C(F)F)c1 ZINC000863281081 583987735 /nfs/dbraw/zinc/98/77/35/583987735.db2.gz AABGCNKITQUEJY-UHFFFAOYSA-N 0 0 221.138 2.259 20 5 BEBDRN Cc1ccc(CCCn2ncc([N+](=O)[O-])n2)cc1 ZINC000863373873 583990243 /nfs/dbraw/zinc/99/02/43/583990243.db2.gz GHMPZLZIJDVBAS-UHFFFAOYSA-N 0 0 246.270 2.128 20 5 BEBDRN Cc1cc(OCC[N+](=O)[O-])ccc1Cl ZINC000899230090 584183074 /nfs/dbraw/zinc/18/30/74/584183074.db2.gz CQNHWQHPYUXBEC-UHFFFAOYSA-N 0 0 215.636 2.304 20 5 BEBDRN CCC(=O)c1ccc(F)cc1OCC[N+](=O)[O-] ZINC000899232166 584183414 /nfs/dbraw/zinc/18/34/14/584183414.db2.gz JXPQKQWBHIIUIL-UHFFFAOYSA-N 0 0 241.218 2.074 20 5 BEBDRN CC(=O)Nc1ccc(SCC[N+](=O)[O-])cc1 ZINC000899861138 584242457 /nfs/dbraw/zinc/24/24/57/584242457.db2.gz DVNJDOVMNFHNCE-UHFFFAOYSA-N 0 0 240.284 2.014 20 5 BEBDRN Cc1cccc2cc(OCC[N+](=O)[O-])cnc12 ZINC000899888668 584247097 /nfs/dbraw/zinc/24/70/97/584247097.db2.gz MGDQGZRAZYFFLZ-UHFFFAOYSA-N 0 0 232.239 2.199 20 5 BEBDRN Cc1ccc2[nH]c(SCC[N+](=O)[O-])nc2c1 ZINC000901377643 584435393 /nfs/dbraw/zinc/43/53/93/584435393.db2.gz QYHHROJDOLQPGE-UHFFFAOYSA-N 0 0 237.284 2.240 20 5 BEBDRN CCOCc1cc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000901399918 584436513 /nfs/dbraw/zinc/43/65/13/584436513.db2.gz ZXUSETFAKUWJBC-UHFFFAOYSA-N 0 0 238.199 2.379 20 5 BEBDRN O=[N+]([O-])CCSc1ncccc1Cl ZINC000901447041 584447048 /nfs/dbraw/zinc/44/70/48/584447048.db2.gz YPAJNNUPUQYTAD-UHFFFAOYSA-N 0 0 218.665 2.104 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1Cc1cc(C)cc(C)n1 ZINC000901477788 584448968 /nfs/dbraw/zinc/44/89/68/584448968.db2.gz RIZOKEYXIZNQRT-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN CO[C@H](C)Sc1ccc([N+](=O)[O-])cn1 ZINC000901520446 584457799 /nfs/dbraw/zinc/45/77/99/584457799.db2.gz RJMOPPUFOSCFDF-LURJTMIESA-N 0 0 214.246 2.074 20 5 BEBDRN O=[N+]([O-])c1ccc(CSC2COC2)cc1 ZINC000901644825 584474482 /nfs/dbraw/zinc/47/44/82/584474482.db2.gz VMFUMLWROBAWTM-UHFFFAOYSA-N 0 0 225.269 2.227 20 5 BEBDRN O=[N+]([O-])c1ccc(/C=C\SC2COC2)o1 ZINC000901645392 584474693 /nfs/dbraw/zinc/47/46/93/584474693.db2.gz VNYLEEUHSHBVII-ARJAWSKDSA-N 0 0 227.241 2.291 20 5 BEBDRN Cc1nonc1CNc1cccc([N+](=O)[O-])c1C ZINC000901931596 584505730 /nfs/dbraw/zinc/50/57/30/584505730.db2.gz WNZXHEREHXFWKP-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])c1ccccc1OC[C@H]1C[C@@]12CCOC2 ZINC000902115836 584527226 /nfs/dbraw/zinc/52/72/26/584527226.db2.gz DRORNAVQOYCZAZ-ZWNOBZJWSA-N 0 0 249.266 2.400 20 5 BEBDRN CC[C@@H]1C[C@H]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000902129361 584529639 /nfs/dbraw/zinc/52/96/39/584529639.db2.gz MVEJGCIRKSCLMW-ZJUUUORDSA-N 0 0 223.276 2.454 20 5 BEBDRN CC[C@@H]1C[C@H]1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000902323788 584560519 /nfs/dbraw/zinc/56/05/19/584560519.db2.gz HOYCGTYBCMCVQB-BDAKNGLRSA-N 0 0 209.249 2.146 20 5 BEBDRN COC[C@@H](C)SCc1cccnc1[N+](=O)[O-] ZINC000902335978 584564003 /nfs/dbraw/zinc/56/40/03/584564003.db2.gz FNXRJGNNVKCGCB-MRVPVSSYSA-N 0 0 242.300 2.258 20 5 BEBDRN COCCCOc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000902696528 584654302 /nfs/dbraw/zinc/65/43/02/584654302.db2.gz CMRZLEXVDDTBRU-UHFFFAOYSA-N 0 0 247.197 2.288 20 5 BEBDRN C[C@H](O)CCOc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000902697000 584654762 /nfs/dbraw/zinc/65/47/62/584654762.db2.gz OWJNOIUUAJBRNV-LURJTMIESA-N 0 0 247.197 2.023 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]2C[C@H]21 ZINC000761091953 584909729 /nfs/dbraw/zinc/90/97/29/584909729.db2.gz MGPATNVZNNFVJV-QPUJVOFHSA-N 0 0 236.246 2.328 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CC2CCC1CC2 ZINC000816097305 584977036 /nfs/dbraw/zinc/97/70/36/584977036.db2.gz ZARKNSSUXNHACJ-PMUOWJKOSA-N 0 0 241.287 2.021 20 5 BEBDRN Cc1sc(C(=O)OCCF)cc1[N+](=O)[O-] ZINC000739325283 585062999 /nfs/dbraw/zinc/06/29/99/585062999.db2.gz RHNJUPAHVHWKEF-UHFFFAOYSA-N 0 0 233.220 2.091 20 5 BEBDRN O=c1ccnc(C=Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000742220460 585123385 /nfs/dbraw/zinc/12/33/85/585123385.db2.gz NLBXKQKWHCXCGM-WAYWQWQTSA-N 0 0 243.222 2.261 20 5 BEBDRN O=C(OCCF)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000744489017 585151077 /nfs/dbraw/zinc/15/10/77/585151077.db2.gz FRWVYCLNLWBPBU-UHFFFAOYSA-N 0 0 247.609 2.375 20 5 BEBDRN Cc1cc2c(cc1[N+](=O)[O-])N(CCF)CC2 ZINC000754108264 585278591 /nfs/dbraw/zinc/27/85/91/585278591.db2.gz AZJNGDWCNSQEIO-UHFFFAOYSA-N 0 0 224.235 2.235 20 5 BEBDRN CCCC[C@H](CCC)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839698588 585335566 /nfs/dbraw/zinc/33/55/66/585335566.db2.gz QQTNLLKRXUNVBV-HBNTYKKESA-N 0 0 242.319 2.127 20 5 BEBDRN CCOCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000758362126 585354922 /nfs/dbraw/zinc/35/49/22/585354922.db2.gz OFHHESUMSCBESU-UHFFFAOYSA-N 0 0 211.217 2.276 20 5 BEBDRN O=C(OC1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000762074968 585425761 /nfs/dbraw/zinc/42/57/61/585425761.db2.gz KBJGQOJQXZIVOB-UHFFFAOYSA-N 0 0 236.227 2.089 20 5 BEBDRN CC(C)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000763545255 585450308 /nfs/dbraw/zinc/45/03/08/585450308.db2.gz VYJKUIBJYMDERV-MRVPVSSYSA-N 0 0 238.243 2.191 20 5 BEBDRN C[C@@H](C(=O)OC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000764073692 585459420 /nfs/dbraw/zinc/45/94/20/585459420.db2.gz AROBESOVYHYDRH-MRVPVSSYSA-N 0 0 235.239 2.404 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCCCF ZINC000767266000 585516137 /nfs/dbraw/zinc/51/61/37/585516137.db2.gz PDBMURAIJHBWSG-UHFFFAOYSA-N 0 0 241.218 2.420 20 5 BEBDRN O=C(OCCCF)c1cc(F)ccc1[N+](=O)[O-] ZINC000767305321 585516500 /nfs/dbraw/zinc/51/65/00/585516500.db2.gz MPQTURTUVDLSPR-UHFFFAOYSA-N 0 0 245.181 2.250 20 5 BEBDRN CC(C)COC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769049071 585548089 /nfs/dbraw/zinc/54/80/89/585548089.db2.gz VLEXLFDLBDAHTC-UHFFFAOYSA-N 0 0 239.227 2.113 20 5 BEBDRN CCCCOC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769045644 585548097 /nfs/dbraw/zinc/54/80/97/585548097.db2.gz CNDUJSGOVXACSK-UHFFFAOYSA-N 0 0 239.227 2.257 20 5 BEBDRN C/C=C/C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000773994923 585647679 /nfs/dbraw/zinc/64/76/79/585647679.db2.gz VGWAPIZUWVEOAH-ONEGZZNKSA-N 0 0 246.266 2.368 20 5 BEBDRN CN(Cc1ccon1)c1ccc([N+](=O)[O-])cc1 ZINC000774534260 585661068 /nfs/dbraw/zinc/66/10/68/585661068.db2.gz JUHGAXSFVRFCMG-UHFFFAOYSA-N 0 0 233.227 2.219 20 5 BEBDRN CCOCOc1cc(C)c([N+](=O)[O-])cc1F ZINC000775225364 585673715 /nfs/dbraw/zinc/67/37/15/585673715.db2.gz HBTYQFDKIQQGTJ-UHFFFAOYSA-N 0 0 229.207 2.415 20 5 BEBDRN C/C=C\C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000775259466 585674460 /nfs/dbraw/zinc/67/44/60/585674460.db2.gz UNFXPDVWFHYPHI-JVBZPZKUSA-N 0 0 234.255 2.348 20 5 BEBDRN C/C=C/C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000775259465 585674616 /nfs/dbraw/zinc/67/46/16/585674616.db2.gz UNFXPDVWFHYPHI-BSPAPZMXSA-N 0 0 234.255 2.348 20 5 BEBDRN O=[N+]([O-])c1cn(Cc2ccc(CF)cc2)cn1 ZINC000777534691 585714299 /nfs/dbraw/zinc/71/42/99/585714299.db2.gz BWZDQVHWDSUXIO-UHFFFAOYSA-N 0 0 235.218 2.309 20 5 BEBDRN O=C(O[C@@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000780552853 585780535 /nfs/dbraw/zinc/78/05/35/585780535.db2.gz RVRYFBWAIIEJRY-LLVKDONJSA-N 0 0 233.223 2.470 20 5 BEBDRN Cc1c(C(=O)OC2CC2)cccc1[N+](=O)[O-] ZINC000783199833 585830304 /nfs/dbraw/zinc/83/03/04/585830304.db2.gz WTNLIVDVJGPMDJ-UHFFFAOYSA-N 0 0 221.212 2.222 20 5 BEBDRN CCNC(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000783871224 585845297 /nfs/dbraw/zinc/84/52/97/585845297.db2.gz CIBICNOLVAGVJP-HJWRWDBZSA-N 0 0 234.255 2.134 20 5 BEBDRN CC(C)(F)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000785925217 585883603 /nfs/dbraw/zinc/88/36/03/585883603.db2.gz UVSBHNGTPFTWGQ-UHFFFAOYSA-N 0 0 241.218 2.500 20 5 BEBDRN COC(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000790464453 585965301 /nfs/dbraw/zinc/96/53/01/585965301.db2.gz WDZRVKPUIHPYNK-UHFFFAOYSA-N 0 0 211.173 2.048 20 5 BEBDRN CC[C@@H]1c2ccsc2CCN1CC[N+](=O)[O-] ZINC000791053699 585973204 /nfs/dbraw/zinc/97/32/04/585973204.db2.gz MOTMCMWROGVFMM-SNVBAGLBSA-N 0 0 240.328 2.334 20 5 BEBDRN C[C@@H]1C[C@@H](C)N1c1nc2ccccn2c1[N+](=O)[O-] ZINC000795193348 586071288 /nfs/dbraw/zinc/07/12/88/586071288.db2.gz JDFOESLFXVAOCY-RKDXNWHRSA-N 0 0 246.270 2.230 20 5 BEBDRN CCC(=O)Oc1ccc(F)cc1[N+](=O)[O-] ZINC000796680804 586110092 /nfs/dbraw/zinc/11/00/92/586110092.db2.gz PAKIQXXBCDIPNJ-UHFFFAOYSA-N 0 0 213.164 2.049 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2CCC(F)(F)C2)c1 ZINC000800862141 586234235 /nfs/dbraw/zinc/23/42/35/586234235.db2.gz IURGCNVARUBDAS-UHFFFAOYSA-N 0 0 243.213 2.022 20 5 BEBDRN C/C=C\C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000801091098 586241667 /nfs/dbraw/zinc/24/16/67/586241667.db2.gz NAPQYYMGMOMNKB-HYXAFXHYSA-N 0 0 248.282 2.172 20 5 BEBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CCC1 ZINC000804443162 586396293 /nfs/dbraw/zinc/39/62/93/586396293.db2.gz UQTJILAFPAVRQJ-UHFFFAOYSA-N 0 0 237.215 2.467 20 5 BEBDRN CC(C)CCOC(=O)c1ccc([N+](=O)[O-])n1C ZINC000807631002 586447523 /nfs/dbraw/zinc/44/75/23/586447523.db2.gz FNYFZXYZNAOBIY-UHFFFAOYSA-N 0 0 240.259 2.136 20 5 BEBDRN CC(C)CCOC(=O)c1cc([N+](=O)[O-])cn1C ZINC000807632288 586448063 /nfs/dbraw/zinc/44/80/63/586448063.db2.gz XVEAGAMMWKFPEV-UHFFFAOYSA-N 0 0 240.259 2.136 20 5 BEBDRN O=[N+]([O-])c1cnccc1Oc1ccc(F)nc1 ZINC000808000718 586457607 /nfs/dbraw/zinc/45/76/07/586457607.db2.gz SWYUBFYLEGMRJC-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN Cc1cnc(COc2ccc(N)c([N+](=O)[O-])c2)o1 ZINC000808256681 586469044 /nfs/dbraw/zinc/46/90/44/586469044.db2.gz OAGQOWYBQBKJHO-UHFFFAOYSA-N 0 0 249.226 2.052 20 5 BEBDRN CC(C)=C(C)C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000808795262 586490414 /nfs/dbraw/zinc/49/04/14/586490414.db2.gz RLAVMDBRTKSOQL-UHFFFAOYSA-N 0 0 249.270 2.309 20 5 BEBDRN C[C@H]1C[C@@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812814075 586587310 /nfs/dbraw/zinc/58/73/10/586587310.db2.gz RDUOPHNBBHEURQ-YUMQZZPRSA-N 0 0 239.275 2.181 20 5 BEBDRN C[C@@H](COC(=O)C1CCCCCC1)[N+](=O)[O-] ZINC000813103078 586592078 /nfs/dbraw/zinc/59/20/78/586592078.db2.gz MYKSMTGMMBTFPM-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN CCC(CC)[C@H](C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813102616 586592090 /nfs/dbraw/zinc/59/20/90/586592090.db2.gz TVWBEMGCTRMGRD-BDAKNGLRSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@H](COC(=O)[C@H]1CCC(C)(C)C1)[N+](=O)[O-] ZINC000813104612 586592405 /nfs/dbraw/zinc/59/24/05/586592405.db2.gz FKKQYMIVDCCCPS-BDAKNGLRSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](COC(=O)[C@@H]1CCC(C)(C)C1)[N+](=O)[O-] ZINC000813104615 586592511 /nfs/dbraw/zinc/59/25/11/586592511.db2.gz FKKQYMIVDCCCPS-RKDXNWHRSA-N 0 0 229.276 2.021 20 5 BEBDRN CCCC[C@H](CC)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813105096 586592612 /nfs/dbraw/zinc/59/26/12/586592612.db2.gz JNTYPZWUCGODCR-ZJUUUORDSA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@H](COC(=O)[C@@H](C)CC1CCCC1)[N+](=O)[O-] ZINC000813107696 586592837 /nfs/dbraw/zinc/59/28/37/586592837.db2.gz ULSIZBNEBOMKOZ-VHSXEESVSA-N 0 0 243.303 2.411 20 5 BEBDRN CCC[C@](C)(CC)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813107135 586592970 /nfs/dbraw/zinc/59/29/70/586592970.db2.gz KEKAWHLYNBQWMJ-ONGXEEELSA-N 0 0 231.292 2.411 20 5 BEBDRN CCC[C@@](C)(CC)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813107134 586592984 /nfs/dbraw/zinc/59/29/84/586592984.db2.gz KEKAWHLYNBQWMJ-MWLCHTKSSA-N 0 0 231.292 2.411 20 5 BEBDRN CC(C)CC(C)(C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813109962 586593154 /nfs/dbraw/zinc/59/31/54/586593154.db2.gz QPOGHPDZNGZURJ-VIFPVBQESA-N 0 0 231.292 2.267 20 5 BEBDRN CC(C)CC1(C(=O)OC[C@H](C)[N+](=O)[O-])CCC1 ZINC000813111414 586593624 /nfs/dbraw/zinc/59/36/24/586593624.db2.gz GVLLFZWAOSEDAA-JTQLQIEISA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@@H](CC(C)(C)C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813111943 586593698 /nfs/dbraw/zinc/59/36/98/586593698.db2.gz XYTYHJYJNYMKTP-IUCAKERBSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@H](COC(=O)C1=CCCCCC1)[N+](=O)[O-] ZINC000813114044 586594076 /nfs/dbraw/zinc/59/40/76/586594076.db2.gz YAPAQVJSEDOGBB-SECBINFHSA-N 0 0 227.260 2.085 20 5 BEBDRN C[C@@H](COC(=O)C[C@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000813115209 586594281 /nfs/dbraw/zinc/59/42/81/586594281.db2.gz MVYVNMRIJHDVDP-OUAUKWLOSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@H](C)CONc1cccnc1[N+](=O)[O-] ZINC000813623294 586604656 /nfs/dbraw/zinc/60/46/56/586604656.db2.gz XEBWTHDYKKPJIA-QMMMGPOBSA-N 0 0 225.248 2.379 20 5 BEBDRN Cc1ccc(C)c(C(=O)O[C@H](C)C[N+](=O)[O-])c1 ZINC000814037614 586611773 /nfs/dbraw/zinc/61/17/73/586611773.db2.gz ZONYCLDDUKDJFW-SNVBAGLBSA-N 0 0 237.255 2.125 20 5 BEBDRN CCC(CC)(CC)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814036872 586611917 /nfs/dbraw/zinc/61/19/17/586611917.db2.gz MOWWRPNGZDQDEE-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN CCC1(C(=O)O[C@@H](C)C[N+](=O)[O-])CCCC1 ZINC000814040117 586612462 /nfs/dbraw/zinc/61/24/62/586612462.db2.gz DAJYVOMODSQBNY-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN CC(C)CC(C)(C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814039755 586612473 /nfs/dbraw/zinc/61/24/73/586612473.db2.gz XASFQCMLRXLZRQ-VIFPVBQESA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)C1CCCC1 ZINC000814041268 586612613 /nfs/dbraw/zinc/61/26/13/586612613.db2.gz RWRHFWWKAILNAO-IUCAKERBSA-N 0 0 229.276 2.021 20 5 BEBDRN CCc1ccccc1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814044816 586612729 /nfs/dbraw/zinc/61/27/29/586612729.db2.gz UWUAGXABCASMBJ-SECBINFHSA-N 0 0 237.255 2.071 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1cc2ccccc2o1 ZINC000814044328 586612812 /nfs/dbraw/zinc/61/28/12/586612812.db2.gz DACSPQAKFSKZNO-MRVPVSSYSA-N 0 0 249.222 2.255 20 5 BEBDRN CCC(CC)[C@@H](C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814045270 586612813 /nfs/dbraw/zinc/61/28/13/586612813.db2.gz ODGGNEYHZMZDAI-RKDXNWHRSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CCC[C@H]1C ZINC000814044385 586612841 /nfs/dbraw/zinc/61/28/41/586612841.db2.gz PHJWGKRQEATFQZ-BBBLOLIVSA-N 0 0 229.276 2.021 20 5 BEBDRN CCCC[C@H](CC)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814046754 586612904 /nfs/dbraw/zinc/61/29/04/586612904.db2.gz JAVCBJUUMNXUBY-UWVGGRQHSA-N 0 0 231.292 2.411 20 5 BEBDRN C/C(=C/C(C)(C)C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814048639 586613104 /nfs/dbraw/zinc/61/31/04/586613104.db2.gz LXVGQWIORNXKTE-XZLDQRQTSA-N 0 0 229.276 2.187 20 5 BEBDRN O=Cc1cc([N+](=O)[O-])ccc1OC1CCC1 ZINC000814263149 586620644 /nfs/dbraw/zinc/62/06/44/586620644.db2.gz FRKQYVCPPJIQFI-UHFFFAOYSA-N 0 0 221.212 2.339 20 5 BEBDRN CCC1CN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000840322021 586622161 /nfs/dbraw/zinc/62/21/61/586622161.db2.gz UGVLJATZXWRKIP-UHFFFAOYSA-N 0 0 246.270 2.089 20 5 BEBDRN CSCOc1cc(C=O)ccc1[N+](=O)[O-] ZINC000814745518 586632035 /nfs/dbraw/zinc/63/20/35/586632035.db2.gz XUXLHKJYJUYVQW-UHFFFAOYSA-N 0 0 227.241 2.107 20 5 BEBDRN O=C(OCc1ccccc1[N+](=O)[O-])[C@H]1CC12CC2 ZINC000817233378 586788814 /nfs/dbraw/zinc/78/88/14/586788814.db2.gz VOYXUEGHJDARRO-SNVBAGLBSA-N 0 0 247.250 2.438 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)OCCF ZINC000817238590 586789783 /nfs/dbraw/zinc/78/97/83/586789783.db2.gz KOODJDWHVKHISZ-UHFFFAOYSA-N 0 0 241.218 2.338 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@H]2CS3)cc1 ZINC000840347747 586821595 /nfs/dbraw/zinc/82/15/95/586821595.db2.gz GIWHCZBWLFAOEE-QWRGUYRKSA-N 0 0 236.296 2.289 20 5 BEBDRN Nc1ccc(NC(=O)C2CC=CC2)cc1[N+](=O)[O-] ZINC000819911427 587002431 /nfs/dbraw/zinc/00/24/31/587002431.db2.gz ZWZKFHIJFMTPSQ-UHFFFAOYSA-N 0 0 247.254 2.082 20 5 BEBDRN Cc1ncoc1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000820591118 587057526 /nfs/dbraw/zinc/05/75/26/587057526.db2.gz DEORLDSZJNUOLQ-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cn2)cn1 ZINC000821037977 587090180 /nfs/dbraw/zinc/09/01/80/587090180.db2.gz FTCSGDSSQVXQIA-HNQUOIGGSA-N 0 0 242.238 2.137 20 5 BEBDRN CCCCN(CC)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822192193 587158597 /nfs/dbraw/zinc/15/85/97/587158597.db2.gz CSTPTPGPFFZPIY-UHFFFAOYSA-N 0 0 244.335 2.471 20 5 BEBDRN C[C@H](C1CC1)N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822491646 587171336 /nfs/dbraw/zinc/17/13/36/587171336.db2.gz VJKQODFEVMIYPH-SECBINFHSA-N 0 0 242.319 2.079 20 5 BEBDRN CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000823104435 587203049 /nfs/dbraw/zinc/20/30/49/587203049.db2.gz LXHPEMMCZGYSAN-UHFFFAOYSA-N 0 0 242.319 2.223 20 5 BEBDRN O=[N+]([O-])c1cc2c(nc1-n1ccnc1)CCCC2 ZINC000825525448 587323383 /nfs/dbraw/zinc/32/33/83/587323383.db2.gz DKCWULNCEAYHFX-UHFFFAOYSA-N 0 0 244.254 2.054 20 5 BEBDRN C/C=C(/C)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000825648059 587329248 /nfs/dbraw/zinc/32/92/48/587329248.db2.gz KTONBVVSKURIFW-WTKPLQERSA-N 0 0 248.282 2.486 20 5 BEBDRN C[C@H]1C[C@H](C)N(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826016389 587348361 /nfs/dbraw/zinc/34/83/61/587348361.db2.gz JCYLVGFZVUXIJK-UWVGGRQHSA-N 0 0 242.319 2.079 20 5 BEBDRN C[C@@H]1[C@@H](C)CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826643279 587357466 /nfs/dbraw/zinc/35/74/66/587357466.db2.gz KQIGIXPRNNHGGP-VHSXEESVSA-N 0 0 242.319 2.079 20 5 BEBDRN C[C@H]1CC[C@H](C)N1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826877720 587364661 /nfs/dbraw/zinc/36/46/61/587364661.db2.gz ZBJZOGHTLKMZQH-UWVGGRQHSA-N 0 0 242.319 2.221 20 5 BEBDRN CC[C@@H](C)N(OC)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827051036 587369003 /nfs/dbraw/zinc/36/90/03/587369003.db2.gz YYKLRACXQZBLGA-SECBINFHSA-N 0 0 246.307 2.010 20 5 BEBDRN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H]4C[C@H]43)nc2c1 ZINC000828080558 587418969 /nfs/dbraw/zinc/41/89/69/587418969.db2.gz FPPBVSRYZJJUTE-WRWORJQWSA-N 0 0 244.254 2.070 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC3(CC3)C2)c(F)c1 ZINC000828364815 587438408 /nfs/dbraw/zinc/43/84/08/587438408.db2.gz KALMDSBLORAACT-UHFFFAOYSA-N 0 0 222.219 2.334 20 5 BEBDRN Cc1nc(C)c(COc2cccnc2[N+](=O)[O-])o1 ZINC000828663995 587456007 /nfs/dbraw/zinc/45/60/07/587456007.db2.gz SXHIKACUNNUMTR-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCF)c(F)c1F ZINC000829883173 587527147 /nfs/dbraw/zinc/52/71/47/587527147.db2.gz KTFZKYBDFORWIP-UHFFFAOYSA-N 0 0 221.134 2.221 20 5 BEBDRN CC[C@@H]1CCC[C@@H]1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000835453833 587802779 /nfs/dbraw/zinc/80/27/79/587802779.db2.gz HEWDZBUMJFEREX-AEJSXWLSSA-N 0 0 229.276 2.021 20 5 BEBDRN CCC[C@@H]1CCC[C@@H]1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000835454423 587802999 /nfs/dbraw/zinc/80/29/99/587802999.db2.gz JMICDMDZGMKDIW-MXWKQRLJSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@@H]1CCC[C@@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000835465641 587803635 /nfs/dbraw/zinc/80/36/35/587803635.db2.gz FAYZBLFGTSNIDZ-AEJSXWLSSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000835466988 587803705 /nfs/dbraw/zinc/80/37/05/587803705.db2.gz MUTKDFZNTVZYBN-LMLFDSFASA-N 0 0 243.303 2.267 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@]1(C)CCC[C@@H]1C ZINC000835466886 587803815 /nfs/dbraw/zinc/80/38/15/587803815.db2.gz LUGBOWXKJDUKEF-NGZCFLSTSA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@@H]1CCCC[C@H]1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841000393 587934005 /nfs/dbraw/zinc/93/40/05/587934005.db2.gz AHGOMIWUOKOKRS-GWOFURMSSA-N 0 0 241.287 2.164 20 5 BEBDRN CC[C@@H](C)[C@@H](CC)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842374923 588022524 /nfs/dbraw/zinc/02/25/24/588022524.db2.gz ZNXMYBKDRRQFIR-ZYUZMQFOSA-N 0 0 229.276 2.020 20 5 BEBDRN C[C@@H]1CC[C@H](C)[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842373871 588022715 /nfs/dbraw/zinc/02/27/15/588022715.db2.gz HCBZRDKMZUJXCS-RCZSTQMZSA-N 0 0 241.287 2.020 20 5 BEBDRN O=C(Oc1cccc([N+](=O)[O-])c1)C1(F)CC1 ZINC000842678943 588051796 /nfs/dbraw/zinc/05/17/96/588051796.db2.gz WWDGTEPZBONTOT-UHFFFAOYSA-N 0 0 225.175 2.002 20 5 BEBDRN CC1=C(C)C[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])CC1 ZINC000842801974 588064880 /nfs/dbraw/zinc/06/48/80/588064880.db2.gz OEJFELQLGCEVLV-WDEREUQCSA-N 0 0 241.287 2.331 20 5 BEBDRN Cc1cccc(-c2nc(N(C)C)no2)c1[N+](=O)[O-] ZINC000843316443 588099594 /nfs/dbraw/zinc/09/95/94/588099594.db2.gz RCOBJVQSIWYRJT-UHFFFAOYSA-N 0 0 248.242 2.019 20 5 BEBDRN Cc1ccc(NC(=O)C2(F)CC2)cc1[N+](=O)[O-] ZINC000843524158 588119408 /nfs/dbraw/zinc/11/94/08/588119408.db2.gz WKITUKQEXULZKQ-UHFFFAOYSA-N 0 0 238.218 2.344 20 5 BEBDRN CCCONC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000844083669 588162870 /nfs/dbraw/zinc/16/28/70/588162870.db2.gz PRHMTNCPQWJETF-UHFFFAOYSA-N 0 0 244.272 2.036 20 5 BEBDRN Cn1c(C(=O)OC2CCCC2)ccc1[N+](=O)[O-] ZINC000844256957 588177961 /nfs/dbraw/zinc/17/79/61/588177961.db2.gz DAUQOZBDMLPPOS-UHFFFAOYSA-N 0 0 238.243 2.033 20 5 BEBDRN CC[C@@H](CCC(C)C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000847739855 588328648 /nfs/dbraw/zinc/32/86/48/588328648.db2.gz JIBOLRWZYJXLSA-HBNTYKKESA-N 0 0 243.303 2.410 20 5 BEBDRN C[C@H]1C[C@@H]1C(N)=NOCc1ccccc1[N+](=O)[O-] ZINC000848519188 588390443 /nfs/dbraw/zinc/39/04/43/588390443.db2.gz MNLNOXBPNLMJRC-WPRPVWTQSA-N 0 0 249.270 2.249 20 5 BEBDRN CCC(CC)Cn1cc([N+](=O)[O-])cc(F)c1=O ZINC000849925680 588509467 /nfs/dbraw/zinc/50/94/67/588509467.db2.gz LXLJJEDTYMJNHG-UHFFFAOYSA-N 0 0 242.250 2.332 20 5 BEBDRN CSCOc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000849956339 588510589 /nfs/dbraw/zinc/51/05/89/588510589.db2.gz LFMFZGORCKDGAO-UHFFFAOYSA-N 0 0 244.228 2.202 20 5 BEBDRN O=C(CCCF)OCc1ccc([N+](=O)[O-])cc1 ZINC000850192090 588525725 /nfs/dbraw/zinc/52/57/25/588525725.db2.gz XJSJWBRZSGLLJU-UHFFFAOYSA-N 0 0 241.218 2.388 20 5 BEBDRN C[C@H](COC(=O)c1ccc(C2CC2)cc1)[N+](=O)[O-] ZINC000851036374 588585585 /nfs/dbraw/zinc/58/55/85/588585585.db2.gz IOMHIBZGJJBOPV-SECBINFHSA-N 0 0 249.266 2.386 20 5 BEBDRN C[C@@H](COC(=O)[C@@H]1CCCC2(CC2)C1)[N+](=O)[O-] ZINC000851036548 588585619 /nfs/dbraw/zinc/58/56/19/588585619.db2.gz KGFGTRFKAWODLD-VHSXEESVSA-N 0 0 241.287 2.165 20 5 BEBDRN C[C@@H](COC(=O)C1CCC2(CC2)CC1)[N+](=O)[O-] ZINC000851036137 588585686 /nfs/dbraw/zinc/58/56/86/588585686.db2.gz FWQFXVGWFLZBRQ-VIFPVBQESA-N 0 0 241.287 2.165 20 5 BEBDRN CCC1(C(=O)OCC(C)(C)[N+](=O)[O-])CCC1 ZINC000851127379 588592589 /nfs/dbraw/zinc/59/25/89/588592589.db2.gz WUBBCUZMTRXOHL-UHFFFAOYSA-N 0 0 229.276 2.165 20 5 BEBDRN CCC/C(C)=C/C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127252 588592598 /nfs/dbraw/zinc/59/25/98/588592598.db2.gz ZYEOQCBIHQDIQK-VQHVLOKHSA-N 0 0 229.276 2.331 20 5 BEBDRN CC(C)(COC(=O)C[C@H]1C=CCCC1)[N+](=O)[O-] ZINC000851127928 588592682 /nfs/dbraw/zinc/59/26/82/588592682.db2.gz BEIKILMJJNBEHE-JTQLQIEISA-N 0 0 241.287 2.331 20 5 BEBDRN CC(C)(COC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)[N+](=O)[O-] ZINC000851129686 588592946 /nfs/dbraw/zinc/59/29/46/588592946.db2.gz QSEDSVYVSGGKRL-UTLUCORTSA-N 0 0 241.287 2.021 20 5 BEBDRN CC(C)[C@]1(C)C[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128425 588593037 /nfs/dbraw/zinc/59/30/37/588593037.db2.gz WFYJRXNDPWFGRM-CABZTGNLSA-N 0 0 243.303 2.267 20 5 BEBDRN C[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])C1CCC1 ZINC000851129556 588593048 /nfs/dbraw/zinc/59/30/48/588593048.db2.gz PICXAMSYDHHNAN-MRVPVSSYSA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@H]1CCC[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851129273 588593078 /nfs/dbraw/zinc/59/30/78/588593078.db2.gz LULQBKDHXOBCGC-VHSXEESVSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)(COC(=O)C1(F)CCCCC1)[N+](=O)[O-] ZINC000851130448 588593355 /nfs/dbraw/zinc/59/33/55/588593355.db2.gz WTFFWCMWEBLBGP-UHFFFAOYSA-N 0 0 247.266 2.257 20 5 BEBDRN C[C@@H]1CCC[C@H](C(=O)OCCC[N+](=O)[O-])C1 ZINC000860915308 589131133 /nfs/dbraw/zinc/13/11/33/589131133.db2.gz QSUQEYSLQWVGRP-ZJUUUORDSA-N 0 0 229.276 2.023 20 5 BEBDRN O=C(CC1CCCCC1)OCCC[N+](=O)[O-] ZINC000860912279 589131276 /nfs/dbraw/zinc/13/12/76/589131276.db2.gz KEFLMHAZNYAWPF-UHFFFAOYSA-N 0 0 229.276 2.167 20 5 BEBDRN CC(C)CC1(C(=O)OCCC[N+](=O)[O-])CCC1 ZINC000860916861 589131461 /nfs/dbraw/zinc/13/14/61/589131461.db2.gz BMAJZTLVROXGNS-UHFFFAOYSA-N 0 0 243.303 2.413 20 5 BEBDRN O=C(CC1=CCCCC1)OCCC[N+](=O)[O-] ZINC000860916113 589131485 /nfs/dbraw/zinc/13/14/85/589131485.db2.gz NJADYOXCENIKGG-UHFFFAOYSA-N 0 0 227.260 2.087 20 5 BEBDRN C[C@@H]1CCCC[C@@H]1CC(=O)OCCC[N+](=O)[O-] ZINC000860916039 589131684 /nfs/dbraw/zinc/13/16/84/589131684.db2.gz MDOBFGGHIDACOR-GHMZBOCLSA-N 0 0 243.303 2.413 20 5 BEBDRN CCC(CC)(CC)C(=O)OCCC[N+](=O)[O-] ZINC000860917307 589131987 /nfs/dbraw/zinc/13/19/87/589131987.db2.gz JCAKPEYJQSELLA-UHFFFAOYSA-N 0 0 231.292 2.413 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])[C@@H]1CC2CCC1CC2 ZINC000860918370 589132007 /nfs/dbraw/zinc/13/20/07/589132007.db2.gz HYTUAWDNDONCQE-VQXHTEKXSA-N 0 0 241.287 2.023 20 5 BEBDRN CCCC[C@@H](C)C(=O)OCCC[N+](=O)[O-] ZINC000860921564 589132413 /nfs/dbraw/zinc/13/24/13/589132413.db2.gz WSHDSZHNKBTRSB-SECBINFHSA-N 0 0 217.265 2.023 20 5 BEBDRN C[C@H](CC(C)(C)C)C(=O)OCCC[N+](=O)[O-] ZINC000860921138 589132616 /nfs/dbraw/zinc/13/26/16/589132616.db2.gz NYNMGXBAHHEZKN-SECBINFHSA-N 0 0 231.292 2.269 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])c1ccc(C(F)F)o1 ZINC000860923018 589132964 /nfs/dbraw/zinc/13/29/64/589132964.db2.gz LEJQKNYEWVUOPR-UHFFFAOYSA-N 0 0 249.169 2.041 20 5 BEBDRN O=[N+]([O-])c1ccnn1CCC(F)=C(F)F ZINC000863293896 589276794 /nfs/dbraw/zinc/27/67/94/589276794.db2.gz ZKYAWGDGYIJTQG-UHFFFAOYSA-N 0 0 221.138 2.259 20 5 BEBDRN CCC[C@@H](C)CCCn1ncc([N+](=O)[O-])n1 ZINC000863370433 589284140 /nfs/dbraw/zinc/28/41/40/589284140.db2.gz CLNGXJSDVBKDQH-SECBINFHSA-N 0 0 226.280 2.403 20 5 BEBDRN CC1(C)CCCC[C@H]1Cn1ncc([N+](=O)[O-])n1 ZINC000863371411 589284328 /nfs/dbraw/zinc/28/43/28/589284328.db2.gz NSRFUAFJWSTPAZ-VIFPVBQESA-N 0 0 238.291 2.403 20 5 BEBDRN C[C@H](Cn1ncc([N+](=O)[O-])n1)C1CCCCC1 ZINC000863371323 589284348 /nfs/dbraw/zinc/28/43/48/589284348.db2.gz MQNABBLOVKGTOR-SECBINFHSA-N 0 0 238.291 2.403 20 5 BEBDRN C[C@@H](Cn1cnc([N+](=O)[O-])c1)C(C)(C)C ZINC000865351253 589424023 /nfs/dbraw/zinc/42/40/23/589424023.db2.gz YRRHNQZCPCINAM-QMMMGPOBSA-N 0 0 211.265 2.474 20 5 BEBDRN O=[N+]([O-])c1cnn(CC2CC3(CCC3)C2)c1 ZINC000865352211 589424033 /nfs/dbraw/zinc/42/40/33/589424033.db2.gz YDMCNWXOCTVDRL-UHFFFAOYSA-N 0 0 221.260 2.372 20 5 BEBDRN O=c1ccn(CC2CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000865358225 589425327 /nfs/dbraw/zinc/42/53/27/589425327.db2.gz VVSIRHGQBJDVGX-UHFFFAOYSA-N 0 0 248.282 2.337 20 5 BEBDRN CC(C)COCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000865364049 589426625 /nfs/dbraw/zinc/42/66/25/589426625.db2.gz ZNXQFHCUVXVMRM-UHFFFAOYSA-N 0 0 239.275 2.299 20 5 BEBDRN O=[N+]([O-])c1cc(CO)c(NC2CCC2)cc1F ZINC000865525428 589443722 /nfs/dbraw/zinc/44/37/22/589443722.db2.gz BDKQMXRIFFTURE-UHFFFAOYSA-N 0 0 240.234 2.191 20 5 BEBDRN CCON(C)c1ccsc1[N+](=O)[O-] ZINC000865710163 589457639 /nfs/dbraw/zinc/45/76/39/589457639.db2.gz KGZJJGUHGPDRDT-UHFFFAOYSA-N 0 0 202.235 2.044 20 5 BEBDRN COC(OC)[C@@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000865867951 589466015 /nfs/dbraw/zinc/46/60/15/589466015.db2.gz JKDDWMQJTZTTCU-ZCFIWIBFSA-N 0 0 246.288 2.076 20 5 BEBDRN Cc1cc(C)c(C(=O)OC[C@H](C)[N+](=O)[O-])s1 ZINC000870378461 589661555 /nfs/dbraw/zinc/66/15/55/589661555.db2.gz WZSHQUBPQZFKTR-ZETCQYMHSA-N 0 0 243.284 2.187 20 5 BEBDRN O=[N+]([O-])c1cnn(C2CC(CF)(CF)C2)c1 ZINC000871646626 589781333 /nfs/dbraw/zinc/78/13/33/589781333.db2.gz OEZDSOLPZRUPFW-UHFFFAOYSA-N 0 0 231.202 2.052 20 5 BEBDRN Cc1conc1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000871667848 589785765 /nfs/dbraw/zinc/78/57/65/589785765.db2.gz RFWCSWFVTFRMTD-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN COCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016157 589855191 /nfs/dbraw/zinc/85/51/91/589855191.db2.gz GDADKNLQQBYMLA-QMMMGPOBSA-N 0 0 242.250 2.031 20 5 BEBDRN CC(C)(COC(=O)C1CCC=CCC1)[N+](=O)[O-] ZINC000873542892 590055815 /nfs/dbraw/zinc/05/58/15/590055815.db2.gz DNYZVBNAYZUEMN-UHFFFAOYSA-N 0 0 241.287 2.331 20 5 BEBDRN CCC[C@H](CC)C(=O)OCCC[N+](=O)[O-] ZINC000873548061 590056338 /nfs/dbraw/zinc/05/63/38/590056338.db2.gz ROCGELNMDSHLEJ-VIFPVBQESA-N 0 0 217.265 2.023 20 5 BEBDRN C/C=C/COC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000124736579 590080430 /nfs/dbraw/zinc/08/04/30/590080430.db2.gz YLISBMKSXJQEGA-NSCUHMNNSA-N 0 0 239.202 2.467 20 5 BEBDRN Cc1c(C(=O)OCCF)cccc1[N+](=O)[O-] ZINC000125679072 590178152 /nfs/dbraw/zinc/17/81/52/590178152.db2.gz QBMUSPXZGVDDPF-UHFFFAOYSA-N 0 0 227.191 2.030 20 5 BEBDRN Cc1cccc(C(=O)OCCF)c1[N+](=O)[O-] ZINC000125727060 590185292 /nfs/dbraw/zinc/18/52/92/590185292.db2.gz XAUOFQOQSPCZEY-UHFFFAOYSA-N 0 0 227.191 2.030 20 5 BEBDRN Cc1cn(CC2CC(C)C2)nc1[N+](=O)[O-] ZINC000877881558 590435296 /nfs/dbraw/zinc/43/52/96/590435296.db2.gz KWVDRKAUQGFMPY-UHFFFAOYSA-N 0 0 209.249 2.146 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1OCCOC1CC1 ZINC000877880221 590436820 /nfs/dbraw/zinc/43/68/20/590436820.db2.gz GTZZOZSJTRCNLY-UHFFFAOYSA-N 0 0 241.218 2.292 20 5 BEBDRN CCON(CC)Cc1ccccc1[N+](=O)[O-] ZINC000879794528 590872745 /nfs/dbraw/zinc/87/27/45/590872745.db2.gz NEMBQOGGLRFILN-UHFFFAOYSA-N 0 0 224.260 2.368 20 5 BEBDRN CCON(CC)Cc1csc([N+](=O)[O-])c1 ZINC000879795692 590874198 /nfs/dbraw/zinc/87/41/98/590874198.db2.gz ZJHGWMMFQVNVQZ-UHFFFAOYSA-N 0 0 230.289 2.430 20 5 BEBDRN O=C(NC[C@H]1C=CCC1)c1ccccc1[N+](=O)[O-] ZINC000881491248 591215328 /nfs/dbraw/zinc/21/53/28/591215328.db2.gz ZFLUGLVBXKWXDC-JTQLQIEISA-N 0 0 246.266 2.291 20 5 BEBDRN C[C@@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])[C@H]1C ZINC000882053749 591292595 /nfs/dbraw/zinc/29/25/95/591292595.db2.gz YUQWRIKQAHFXPM-SFYZADRCSA-N 0 0 239.250 2.364 20 5 BEBDRN CC1=CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882133275 591303623 /nfs/dbraw/zinc/30/36/23/591303623.db2.gz LJEPSLOJOZKRLE-UHFFFAOYSA-N 0 0 237.234 2.285 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1NC1CC(F)(F)C1 ZINC000882261388 591322785 /nfs/dbraw/zinc/32/27/85/591322785.db2.gz HMQKTCHAFKUQLL-UHFFFAOYSA-N 0 0 247.176 2.339 20 5 BEBDRN CC1=CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882303027 591327376 /nfs/dbraw/zinc/32/73/76/591327376.db2.gz PEVZSLGJJCHKDZ-UHFFFAOYSA-N 0 0 237.234 2.285 20 5 BEBDRN C[C@H]1CC[C@@H]1Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882361226 591338123 /nfs/dbraw/zinc/33/81/23/591338123.db2.gz YHACAMBWFHSTEV-BQBZGAKWSA-N 0 0 225.223 2.339 20 5 BEBDRN O=[N+]([O-])c1ccsc1NC1CSC1 ZINC000882625108 591402819 /nfs/dbraw/zinc/40/28/19/591402819.db2.gz ABKSEJLEUINUAZ-UHFFFAOYSA-N 0 0 216.287 2.184 20 5 BEBDRN C[C@@H](O)CSc1ccc(F)cc1[N+](=O)[O-] ZINC000882738555 591425565 /nfs/dbraw/zinc/42/55/65/591425565.db2.gz YTJYPVSHJQJXGZ-ZCFIWIBFSA-N 0 0 231.248 2.207 20 5 BEBDRN O=[N+]([O-])c1sccc1N1CC[C@H](CF)C1 ZINC000882838200 591450025 /nfs/dbraw/zinc/45/00/25/591450025.db2.gz AJWRWYKOEQWJNA-SSDOTTSWSA-N 0 0 230.264 2.452 20 5 BEBDRN C[C@H](O)CCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000134055415 591879746 /nfs/dbraw/zinc/87/97/46/591879746.db2.gz PZPXKGINYBBVON-ZETCQYMHSA-N 0 0 245.662 2.398 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2C[C@@H]2C1 ZINC000884587133 591988198 /nfs/dbraw/zinc/98/81/98/591988198.db2.gz BHNXJDCOQBYCSG-AOOOYVTPSA-N 0 0 218.256 2.359 20 5 BEBDRN C[C@@H](CNC(=O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000887405149 592503184 /nfs/dbraw/zinc/50/31/84/592503184.db2.gz USPIOIRPWXMIOU-VIFPVBQESA-N 0 0 248.282 2.225 20 5 BEBDRN CCCOC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000124958295 634448180 /nfs/dbraw/zinc/44/81/80/634448180.db2.gz DGLRWXXUUZCETB-UHFFFAOYSA-N 0 0 223.228 2.470 20 5 BEBDRN C[C@@H]1CCCC[C@@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000891442798 631303231 /nfs/dbraw/zinc/30/32/31/631303231.db2.gz UTEAOVAFRANFHI-BDAKNGLRSA-N 0 0 238.291 2.319 20 5 BEBDRN CC(=O)COc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000309149769 631910020 /nfs/dbraw/zinc/91/00/20/631910020.db2.gz PKXWSCDWHKFZIR-UHFFFAOYSA-N 0 0 247.609 2.355 20 5 BEBDRN O=[N+]([O-])c1cn(C/C(Cl)=C\Cl)cn1 ZINC000255543737 631991877 /nfs/dbraw/zinc/99/18/77/631991877.db2.gz NJWNSPJLHOSYQF-ORCRQEGFSA-N 0 0 222.031 2.110 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N1CC[C@H](F)C1 ZINC000309401725 632048172 /nfs/dbraw/zinc/04/81/72/632048172.db2.gz SYXNOIVECTXWJB-VIFPVBQESA-N 0 0 224.235 2.451 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccon1 ZINC000179521773 632743035 /nfs/dbraw/zinc/74/30/35/632743035.db2.gz COPWPFWTTFYBPF-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000066275676 632866639 /nfs/dbraw/zinc/86/66/39/632866639.db2.gz HNBBINZHHHEZLB-LDYMZIIASA-N 0 0 235.239 2.294 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000066275717 632867698 /nfs/dbraw/zinc/86/76/98/632867698.db2.gz KIKMIBDRFKZCOV-GZMMTYOYSA-N 0 0 235.239 2.294 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000072508502 633101522 /nfs/dbraw/zinc/10/15/22/633101522.db2.gz BEGGJOPFNDWUAW-GMSGAONNSA-N 0 0 221.212 2.156 20 5 BEBDRN CC(C)(COC(=O)C[C@@H]1C[C@H]1C1CC1)[N+](=O)[O-] ZINC000893159295 633854890 /nfs/dbraw/zinc/85/48/90/633854890.db2.gz WVSRBXGXMMJPBL-UWVGGRQHSA-N 0 0 241.287 2.021 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@@H]2CCC=CO2)s1 ZINC000309494757 633929688 /nfs/dbraw/zinc/92/96/88/633929688.db2.gz JWFKNVFEURKGAX-ZETCQYMHSA-N 0 0 241.272 2.156 20 5 BEBDRN Cc1ccc(CN(C)CC[N+](=O)[O-])cc1C ZINC000930669026 634010408 /nfs/dbraw/zinc/01/04/08/634010408.db2.gz NWUVQZLJWFJSAA-UHFFFAOYSA-N 0 0 222.288 2.012 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1NCc1cccnn1 ZINC000236156727 635595247 /nfs/dbraw/zinc/59/52/47/635595247.db2.gz NNKHSKPFOUCBNR-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN O=C(Oc1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000014825477 636715072 /nfs/dbraw/zinc/71/50/72/636715072.db2.gz UFEITKZJZGELAI-UHFFFAOYSA-N 0 0 244.206 2.209 20 5 BEBDRN O=[N+]([O-])CCN1CC2(CCC2)[C@H]1c1ccccc1 ZINC000899886921 637148222 /nfs/dbraw/zinc/14/82/22/637148222.db2.gz XBSIWXOUDZLAKN-CYBMUJFWSA-N 0 0 246.310 2.490 20 5 BEBDRN Cc1nc2ccccc2cc1OCC[N+](=O)[O-] ZINC000899885576 637148295 /nfs/dbraw/zinc/14/82/95/637148295.db2.gz NETWTMBOKPGSTK-UHFFFAOYSA-N 0 0 232.239 2.199 20 5 BEBDRN O=[N+]([O-])CCN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000899886922 637148424 /nfs/dbraw/zinc/14/84/24/637148424.db2.gz XBSIWXOUDZLAKN-ZDUSSCGKSA-N 0 0 246.310 2.490 20 5 BEBDRN Cc1cn(C)nc1COc1ccccc1[N+](=O)[O-] ZINC000901373311 637246089 /nfs/dbraw/zinc/24/60/89/637246089.db2.gz KKHREFYVQMRGAQ-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN O=[N+]([O-])CCNCc1cccc(Cl)c1Cl ZINC000905035507 637555892 /nfs/dbraw/zinc/55/58/92/637555892.db2.gz FKONHZVTZZYLEH-UHFFFAOYSA-N 0 0 249.097 2.360 20 5 BEBDRN COc1c(Cl)cccc1NCC[N+](=O)[O-] ZINC000905315848 637743426 /nfs/dbraw/zinc/74/34/26/637743426.db2.gz RHTHJPRAPCBETC-UHFFFAOYSA-N 0 0 230.651 2.037 20 5 BEBDRN CCCOc1cc(C)ccc1NCC[N+](=O)[O-] ZINC000905306929 637764840 /nfs/dbraw/zinc/76/48/40/637764840.db2.gz BJTBQIMCNDORTQ-UHFFFAOYSA-N 0 0 238.287 2.472 20 5 BEBDRN COc1cc(NCC[N+](=O)[O-])c(C)cc1C ZINC000905334253 637781167 /nfs/dbraw/zinc/78/11/67/637781167.db2.gz DZUTZAYCBYKYQQ-UHFFFAOYSA-N 0 0 224.260 2.001 20 5 BEBDRN CC1(C)Cc2cc(NCC[N+](=O)[O-])ccc2O1 ZINC000905330943 637781288 /nfs/dbraw/zinc/78/12/88/637781288.db2.gz UQEQJIUTDPRTJD-UHFFFAOYSA-N 0 0 236.271 2.089 20 5 BEBDRN O=[N+]([O-])CCNc1ccc2c(c1)CCCC2 ZINC000905340382 637783167 /nfs/dbraw/zinc/78/31/67/637783167.db2.gz VEARIZQLMVLLPB-UHFFFAOYSA-N 0 0 220.272 2.254 20 5 BEBDRN COc1cc(Cl)c(F)cc1NCC[N+](=O)[O-] ZINC000905653010 637872901 /nfs/dbraw/zinc/87/29/01/637872901.db2.gz GVBDMUZGSZKPCW-UHFFFAOYSA-N 0 0 248.641 2.176 20 5 BEBDRN C[C@H](C(=O)N1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000910015493 639332881 /nfs/dbraw/zinc/33/28/81/639332881.db2.gz KLXGAMXJYCYFPO-JTQLQIEISA-N 0 0 246.266 2.097 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cccc(CO)c2)cn1 ZINC000912727820 640182106 /nfs/dbraw/zinc/18/21/06/640182106.db2.gz KIGCHQGTKPMSJQ-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN O=C(OCCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000151199270 640342166 /nfs/dbraw/zinc/34/21/66/640342166.db2.gz AJUVIQQGASRSFX-UHFFFAOYSA-N 0 0 249.266 2.481 20 5 BEBDRN O=C(NC1CC1)c1cccc([N+](=O)[O-])c1Cl ZINC000164060102 640438446 /nfs/dbraw/zinc/43/84/46/640438446.db2.gz ANUXVWPVUCQANA-UHFFFAOYSA-N 0 0 240.646 2.140 20 5 BEBDRN CCN(C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000164060752 640438654 /nfs/dbraw/zinc/43/86/54/640438654.db2.gz IRRHIADXAUDJHX-UHFFFAOYSA-N 0 0 242.662 2.340 20 5 BEBDRN O=[N+]([O-])c1cc(CSCCO)ccc1Cl ZINC000036335903 640501631 /nfs/dbraw/zinc/50/16/31/640501631.db2.gz LJFRRANVUPCFJY-UHFFFAOYSA-N 0 0 247.703 2.474 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000057383202 640603049 /nfs/dbraw/zinc/60/30/49/640603049.db2.gz SYUYIURUHBBKGZ-HTRCEHHLSA-N 0 0 238.218 2.328 20 5 BEBDRN CCCOC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000088805107 641392487 /nfs/dbraw/zinc/39/24/87/641392487.db2.gz IOFVWKPSIDNIEL-UHFFFAOYSA-N 0 0 237.255 2.481 20 5 BEBDRN C[C@@H](CO)COc1cc([N+](=O)[O-])ccc1Cl ZINC000155242726 641562424 /nfs/dbraw/zinc/56/24/24/641562424.db2.gz RDAWTSDZVDMIHM-ZETCQYMHSA-N 0 0 245.662 2.255 20 5 BEBDRN C/C=C/COC(=O)c1csc([N+](=O)[O-])c1 ZINC000193929421 641869020 /nfs/dbraw/zinc/86/90/20/641869020.db2.gz DAAJCBYONNKHFI-NSCUHMNNSA-N 0 0 227.241 2.389 20 5 BEBDRN O=C(OC/C=C\Cl)c1ccc([N+](=O)[O-])o1 ZINC000916582144 641952778 /nfs/dbraw/zinc/95/27/78/641952778.db2.gz OMQIQLNJTNBEAO-RJRFIUFISA-N 0 0 231.591 2.097 20 5 BEBDRN Cc1nn(CCCc2cccnc2)cc1[N+](=O)[O-] ZINC000917732089 642114633 /nfs/dbraw/zinc/11/46/33/642114633.db2.gz KBTWWWHPJHUYAW-UHFFFAOYSA-N 0 0 246.270 2.128 20 5 BEBDRN CC(C)(C)CCOCn1ccnc1[N+](=O)[O-] ZINC000918387538 642195066 /nfs/dbraw/zinc/19/50/66/642195066.db2.gz QUCMTWLJJMIQIS-UHFFFAOYSA-N 0 0 227.264 2.202 20 5 BEBDRN O=C(CC1CC1)OCCc1ccc([N+](=O)[O-])cc1 ZINC000919087718 642299130 /nfs/dbraw/zinc/29/91/30/642299130.db2.gz PUHYHBUWXQOEOC-UHFFFAOYSA-N 0 0 249.266 2.481 20 5 BEBDRN C/C=C/COC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000919251585 642315889 /nfs/dbraw/zinc/31/58/89/642315889.db2.gz FRNGWFDEDZWZKJ-NSCUHMNNSA-N 0 0 239.202 2.467 20 5 BEBDRN C[C@H]1CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000920057333 642427506 /nfs/dbraw/zinc/42/75/06/642427506.db2.gz HXHWDOSKMNXYBB-ZETCQYMHSA-N 0 0 237.215 2.102 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NC1CCCCC1 ZINC000891394348 642462903 /nfs/dbraw/zinc/46/29/03/642462903.db2.gz DHXJFELKJMYFPU-UHFFFAOYSA-N 0 0 224.264 2.073 20 5 BEBDRN CC[C@@H](C)CN(CC)Cn1nccc1[N+](=O)[O-] ZINC000174944587 642639666 /nfs/dbraw/zinc/63/96/66/642639666.db2.gz SAIUFEFFTYWIFA-SNVBAGLBSA-N 0 0 240.307 2.117 20 5 BEBDRN C[C@H](O)COc1cc([N+](=O)[O-])ccc1Cl ZINC000083676621 643608936 /nfs/dbraw/zinc/60/89/36/643608936.db2.gz XNIPRSANAZDCFP-LURJTMIESA-N 0 0 231.635 2.008 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1C[C@@H]1C ZINC000079209195 644163187 /nfs/dbraw/zinc/16/31/87/644163187.db2.gz SCZZJMRYUSBFGU-WCBMZHEXSA-N 0 0 235.239 2.465 20 5 BEBDRN CC[C@H](C)COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000756358056 644625856 /nfs/dbraw/zinc/62/58/56/644625856.db2.gz HICSYSLSUXGDSL-QMMMGPOBSA-N 0 0 240.259 2.136 20 5 BEBDRN CC(C)(C)c1noc(CCC(C)(C)[N+](=O)[O-])n1 ZINC000834408846 645141244 /nfs/dbraw/zinc/14/12/44/645141244.db2.gz NGMWHQALFCZURL-UHFFFAOYSA-N 0 0 241.291 2.355 20 5 BEBDRN Cc1ccccc1-c1noc([C@@H]2CC2[N+](=O)[O-])n1 ZINC000841736467 645227740 /nfs/dbraw/zinc/22/77/40/645227740.db2.gz ONTFJENYCYEFBI-NXEZZACHSA-N 0 0 245.238 2.178 20 5 BEBDRN CN(CC[N+](=O)[O-])Cc1ccc(Cl)s1 ZINC000929134593 645963082 /nfs/dbraw/zinc/96/30/82/645963082.db2.gz ZMBCSKPCKRRDNN-UHFFFAOYSA-N 0 0 234.708 2.110 20 5 BEBDRN CN(CC[N+](=O)[O-])Cc1ccc(Cl)c(F)c1 ZINC000930133173 646454541 /nfs/dbraw/zinc/45/45/41/646454541.db2.gz FRDHZAYNVJEDHP-UHFFFAOYSA-N 0 0 246.669 2.188 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2CSC2)c(Cl)c1 ZINC000702365538 712048623 /nfs/dbraw/zinc/04/86/23/712048623.db2.gz NVUDDARAAQLGMU-UHFFFAOYSA-N 0 0 245.691 2.171 20 5 BEBDRN CCCOCOc1cc(F)ccc1[N+](=O)[O-] ZINC000709719483 712217016 /nfs/dbraw/zinc/21/70/16/712217016.db2.gz HSIYNBVIWLGASQ-UHFFFAOYSA-N 0 0 229.207 2.497 20 5 BEBDRN C[C@H]1C[C@H]1COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000722673493 711463497 /nfs/dbraw/zinc/46/34/97/711463497.db2.gz IGDXGNJVOCMZII-WPRPVWTQSA-N 0 0 235.239 2.442 20 5 BEBDRN C[C@H]1C[C@@H]1COc1cc(C=O)ccc1[N+](=O)[O-] ZINC000722674155 711463748 /nfs/dbraw/zinc/46/37/48/711463748.db2.gz LBEYVLZBNNBWJH-WCBMZHEXSA-N 0 0 235.239 2.442 20 5 BEBDRN CC[C@H](C[C@H](C)O)Nc1ncc([N+](=O)[O-])s1 ZINC000716880882 711586578 /nfs/dbraw/zinc/58/65/78/711586578.db2.gz SRNHQGAGEOWYLB-NKWVEPMBSA-N 0 0 245.304 2.013 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@H]1C=CCC1 ZINC000700488621 711994450 /nfs/dbraw/zinc/99/44/50/711994450.db2.gz IQMDLQNNLHNWKK-QMMMGPOBSA-N 0 0 205.217 2.120 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C=CCC2)cn1 ZINC000700488597 711994640 /nfs/dbraw/zinc/99/46/40/711994640.db2.gz IIIILUNJXQRWKQ-MRVPVSSYSA-N 0 0 205.217 2.120 20 5 BEBDRN Cc1ccc(N[C@@H]2COC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000710863075 712259863 /nfs/dbraw/zinc/25/98/63/712259863.db2.gz GMTYVSZJIIXPEK-GXSJLCMTSA-N 0 0 236.271 2.350 20 5 BEBDRN Nc1c(F)c(N[C@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000711059047 712277163 /nfs/dbraw/zinc/27/71/63/712277163.db2.gz XVJMNOFVZNJPBP-ZETCQYMHSA-N 0 0 237.234 2.447 20 5 BEBDRN COC(C)(C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000711834881 712333884 /nfs/dbraw/zinc/33/38/84/712333884.db2.gz YYDSHLNRUNWZAC-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(OCCOC2CC2)c1 ZINC000712047489 712340287 /nfs/dbraw/zinc/34/02/87/712340287.db2.gz DXNRWZVKJMWNDS-UHFFFAOYSA-N 0 0 241.218 2.292 20 5 BEBDRN CCN1CC[C@H]1CNc1ccsc1[N+](=O)[O-] ZINC000712592857 712435627 /nfs/dbraw/zinc/43/56/27/712435627.db2.gz AMUQQYKYGLTSSE-QMMMGPOBSA-N 0 0 241.316 2.162 20 5 BEBDRN CC[C@H](C[C@@H](C)O)Nc1ncc([N+](=O)[O-])s1 ZINC000716880883 712580128 /nfs/dbraw/zinc/58/01/28/712580128.db2.gz SRNHQGAGEOWYLB-RNFRBKRXSA-N 0 0 245.304 2.013 20 5 BEBDRN CC(C)[C@H](C)CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000825997894 712592304 /nfs/dbraw/zinc/59/23/04/712592304.db2.gz SMRXJDINSAJMOS-SNVBAGLBSA-N 0 0 244.335 2.230 20 5 BEBDRN CC1(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC000159223878 712722816 /nfs/dbraw/zinc/72/28/16/712722816.db2.gz HOMWJKSBALZJGI-UHFFFAOYSA-N 0 0 238.218 2.473 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](O)C2)c1 ZINC000720893565 712875734 /nfs/dbraw/zinc/87/57/34/712875734.db2.gz NVSDZCCZWFDWKN-MGCOHNPYSA-N 0 0 236.271 2.086 20 5 BEBDRN CC[C@H](C)Oc1cc(C)c([N+](=O)[O-])cn1 ZINC001225662836 962575728 /nfs/dbraw/zinc/57/57/28/962575728.db2.gz OEOZUWYWBQEKMT-QMMMGPOBSA-N 0 0 210.233 2.476 20 5 BEBDRN COC[C@H](C)Oc1nc(Cl)ccc1[N+](=O)[O-] ZINC000069736122 1165869893 /nfs/dbraw/zinc/86/98/93/1165869893.db2.gz QDPICYSENHGSCP-LURJTMIESA-N 0 0 246.650 2.057 20 5 BEBDRN Cc1ccc(Nc2ccn[nH]c2=O)cc1[N+](=O)[O-] ZINC001213663535 1166321419 /nfs/dbraw/zinc/32/14/19/1166321419.db2.gz LJDWPUQHAOPWEN-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN C[C@@H](CNc1nn(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000231670167 1166765342 /nfs/dbraw/zinc/76/53/42/1166765342.db2.gz PGTYIHWQOVBIBC-QMMMGPOBSA-N 0 0 240.307 2.422 20 5 BEBDRN CCN(C)C(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000304451663 1166919837 /nfs/dbraw/zinc/91/98/37/1166919837.db2.gz VYTXILJRTQVUKE-UHFFFAOYSA-N 0 0 240.234 2.134 20 5 BEBDRN C[C@H](Oc1ccc([N+](=O)[O-])nc1)C(F)(F)F ZINC001226710162 975042245 /nfs/dbraw/zinc/04/22/45/975042245.db2.gz NKXYZDPGQUXZOB-YFKPBYRVSA-N 0 0 236.149 2.319 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(OC[C@H]2CCO2)c(F)c1 ZINC001226745168 975054373 /nfs/dbraw/zinc/05/43/73/975054373.db2.gz ZRHUEALAEYJJQS-SSDOTTSWSA-N 0 0 245.181 2.041 20 5 BEBDRN CC(C)(C)ONC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000134232715 1167143785 /nfs/dbraw/zinc/14/37/85/1167143785.db2.gz GMCKVDJVCNICAA-UHFFFAOYSA-N 0 0 238.243 2.055 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCC(F)F)nc1 ZINC000308865679 1167208875 /nfs/dbraw/zinc/20/88/75/1167208875.db2.gz WUFLUJVTUFWDST-UHFFFAOYSA-N 0 0 217.175 2.057 20 5 BEBDRN CCC(CC)Cn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001333297152 975621946 /nfs/dbraw/zinc/62/19/46/975621946.db2.gz FBOXDUPRYGAZPT-UHFFFAOYSA-N 0 0 242.235 2.136 20 5 BEBDRN CSCCNc1c(C)cncc1[N+](=O)[O-] ZINC000308935057 1167223408 /nfs/dbraw/zinc/22/34/08/1167223408.db2.gz KOSVOYVBTBUDQF-UHFFFAOYSA-N 0 0 227.289 2.073 20 5 BEBDRN CC(C)[C@H](O)CCNc1ccsc1[N+](=O)[O-] ZINC000309373238 1167298349 /nfs/dbraw/zinc/29/83/49/1167298349.db2.gz QWQKZTQIFJZYBH-SECBINFHSA-N 0 0 244.316 2.475 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C=CCC2)n1 ZINC000698264898 1167643910 /nfs/dbraw/zinc/64/39/10/1167643910.db2.gz HLEMEZVCUQRWCN-SECBINFHSA-N 0 0 219.244 2.429 20 5 BEBDRN CC(C)C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000060787973 1167671044 /nfs/dbraw/zinc/67/10/44/1167671044.db2.gz CJBVWEAHMWNJKG-UHFFFAOYSA-N 0 0 237.255 2.337 20 5 BEBDRN CCC[C@@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC001344108337 980350683 /nfs/dbraw/zinc/35/06/83/980350683.db2.gz AGSVSBGCCTUQHT-SSDOTTSWSA-N 0 0 224.264 2.294 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)/C=C\C(C)(C)C ZINC001345011276 980520308 /nfs/dbraw/zinc/52/03/08/980520308.db2.gz SQGXKULPDWGUJH-ATJFRQLMSA-N 0 0 229.276 2.187 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C(C)=C1CCCC1 ZINC001344998193 980515493 /nfs/dbraw/zinc/51/54/93/980515493.db2.gz GJORMIYGONTXKO-NSHDSACASA-N 0 0 241.287 2.475 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCOc1ccccc1 ZINC001170804011 1168599180 /nfs/dbraw/zinc/59/91/80/1168599180.db2.gz KQANXEDSDHSGHK-UHFFFAOYSA-N 0 0 245.238 2.438 20 5 BEBDRN CCCCOC(=O)c1ccc([N+](=O)[O-])o1 ZINC000005821421 983885765 /nfs/dbraw/zinc/88/57/65/983885765.db2.gz PROHDMZYSLSBCK-UHFFFAOYSA-N 0 0 213.189 2.145 20 5 BEBDRN C[C@H](CO)CO[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001205963510 983910322 /nfs/dbraw/zinc/91/03/22/983910322.db2.gz NFOJDNQEMFBYNS-NXEZZACHSA-N 0 0 239.271 2.301 20 5 BEBDRN CO[C@H](C)COc1cc(F)c(F)cc1[N+](=O)[O-] ZINC001225779527 974681146 /nfs/dbraw/zinc/68/11/46/974681146.db2.gz PVDBCTATEKIMIL-ZCFIWIBFSA-N 0 0 247.197 2.287 20 5 BEBDRN O=[N+]([O-])c1cccc(O[C@@H]2CCOC2)c1Cl ZINC001225786819 974683142 /nfs/dbraw/zinc/68/31/42/974683142.db2.gz YMTASRDKHHCTBT-SSDOTTSWSA-N 0 0 243.646 2.416 20 5 BEBDRN C[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])CO1 ZINC000402377525 970794186 /nfs/dbraw/zinc/79/41/86/970794186.db2.gz KEJAXOYTBRIKLX-YUMQZZPRSA-N 0 0 240.234 2.323 20 5 BEBDRN C[C@H]1C[C@@H]1c1nnc(-c2ncccc2[N+](=O)[O-])o1 ZINC001256716944 970934161 /nfs/dbraw/zinc/93/41/61/970934161.db2.gz FMZFIXRWQYYTKF-BQBZGAKWSA-N 0 0 246.226 2.163 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)C[C@H](OCCF)C2 ZINC001224674269 973848068 /nfs/dbraw/zinc/84/80/68/973848068.db2.gz NNCHGZCMDGSQMG-LLVKDONJSA-N 0 0 225.219 2.048 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(Nc2cnns2)c1 ZINC001216480883 971093578 /nfs/dbraw/zinc/09/35/78/971093578.db2.gz DGFSIHCFGFTNHP-UHFFFAOYSA-N 0 0 240.219 2.329 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(Nc2ccncn2)c1 ZINC001216480563 971092448 /nfs/dbraw/zinc/09/24/48/971092448.db2.gz FXWQPWYHGKGHON-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=C(Nc1ccsn1)c1cccc([N+](=O)[O-])c1 ZINC001132745289 971403981 /nfs/dbraw/zinc/40/39/81/971403981.db2.gz QFILSESCONCPIL-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN Cc1[nH]c(=O)cc(OC2CCCC2)c1[N+](=O)[O-] ZINC001228687544 1169638964 /nfs/dbraw/zinc/63/89/64/1169638964.db2.gz YKYXSSYJWDXVER-UHFFFAOYSA-N 0 0 238.243 2.325 20 5 BEBDRN O=[N+]([O-])c1ccccc1OC1CCC(O)CC1 ZINC001218367277 971750011 /nfs/dbraw/zinc/75/00/11/971750011.db2.gz VQEIJQGWYGDEFT-UHFFFAOYSA-N 0 0 237.255 2.277 20 5 BEBDRN CCC=CNc1cnc(F)c([N+](=O)[O-])c1 ZINC001170767471 971767201 /nfs/dbraw/zinc/76/72/01/971767201.db2.gz QRVUVIMTEKAXEG-ONEGZZNKSA-N 0 0 211.196 2.465 20 5 BEBDRN CCC=CNc1cc([N+](=O)[O-])cnc1OC ZINC001170768469 971771432 /nfs/dbraw/zinc/77/14/32/971771432.db2.gz WZRNFUGKXLPHNA-SNAWJCMRSA-N 0 0 223.232 2.334 20 5 BEBDRN CCCCNc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC000310014178 971914187 /nfs/dbraw/zinc/91/41/87/971914187.db2.gz KAZQARFXWWQXHI-UHFFFAOYSA-N 0 0 245.666 2.094 20 5 BEBDRN C[C@H]1COC[C@@H]1Oc1cccc(F)c1[N+](=O)[O-] ZINC000705838742 957498268 /nfs/dbraw/zinc/49/82/68/957498268.db2.gz JQSZILAHEVTWBE-XVKPBYJWSA-N 0 0 241.218 2.148 20 5 BEBDRN Cn1cc(Nc2cccc([N+](=O)[O-])c2F)cn1 ZINC001210379023 957735884 /nfs/dbraw/zinc/73/58/84/957735884.db2.gz UFFOASUGDLMOOI-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN O=C1CC(Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001167340676 957797364 /nfs/dbraw/zinc/79/73/64/957797364.db2.gz GAVAEFYTAILFFG-UHFFFAOYSA-N 0 0 240.646 2.392 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1Nc1cccnn1 ZINC001210950556 957958923 /nfs/dbraw/zinc/95/89/23/957958923.db2.gz YDVQAYHMEPAPCI-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN Nc1nc(N2CCC23CCCC3)ccc1[N+](=O)[O-] ZINC000707183603 958397318 /nfs/dbraw/zinc/39/73/18/958397318.db2.gz YKIJNKKGQRDPJV-UHFFFAOYSA-N 0 0 248.286 2.095 20 5 BEBDRN CC[C@H](C)O[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001204619508 959888616 /nfs/dbraw/zinc/88/86/16/959888616.db2.gz AVXOLELLVKQAIX-GXSJLCMTSA-N 0 0 224.260 2.215 20 5 BEBDRN CC(C)(C)CCNc1nccc(N)c1[N+](=O)[O-] ZINC000310159968 960173964 /nfs/dbraw/zinc/17/39/64/960173964.db2.gz PQQVQFGSLILQKV-UHFFFAOYSA-N 0 0 238.291 2.420 20 5 BEBDRN N=CNc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001167863321 961325921 /nfs/dbraw/zinc/32/59/21/961325921.db2.gz BMRCXMOVOWFJQW-UHFFFAOYSA-N 0 0 243.226 2.071 20 5 BEBDRN CC(C)(C)c1cnc(NC=N)c([N+](=O)[O-])c1 ZINC001167863526 961327053 /nfs/dbraw/zinc/32/70/53/961327053.db2.gz DFGGXMCKTKTKSK-UHFFFAOYSA-N 0 0 222.248 2.306 20 5 BEBDRN N=CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001167869171 961364618 /nfs/dbraw/zinc/36/46/18/961364618.db2.gz TUGWDLNRYQIEGX-UHFFFAOYSA-N 0 0 216.200 2.162 20 5 BEBDRN N=CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC001167868822 961368428 /nfs/dbraw/zinc/36/84/28/961368428.db2.gz OVEAEVSNRSACRX-UHFFFAOYSA-N 0 0 234.137 2.028 20 5 BEBDRN CCO[C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001204944674 962120506 /nfs/dbraw/zinc/12/05/06/962120506.db2.gz KFZPMVZMEUNRNL-SSDOTTSWSA-N 0 0 239.227 2.421 20 5 BEBDRN CCCOC[C@H](C)Oc1ccc([N+](=O)[O-])cn1 ZINC001225632477 962450731 /nfs/dbraw/zinc/45/07/31/962450731.db2.gz MAYRFECGIZVLMI-VIFPVBQESA-N 0 0 240.259 2.184 20 5 BEBDRN C[C@H]1COC[C@@H]1Oc1ccc(F)cc1[N+](=O)[O-] ZINC001225905118 962900786 /nfs/dbraw/zinc/90/07/86/962900786.db2.gz NUGOOJKHUSWPKN-CPCISQLKSA-N 0 0 241.218 2.148 20 5 BEBDRN Cc1nc(NC(=N)C(C)(C)C)ncc1[N+](=O)[O-] ZINC001155181383 963006002 /nfs/dbraw/zinc/00/60/02/963006002.db2.gz GYUWTGHOCADOSP-UHFFFAOYSA-N 0 0 237.263 2.128 20 5 BEBDRN CC[C@H](C)Nc1ncc([N+](=O)[O-])cc1NC ZINC001167999373 963210067 /nfs/dbraw/zinc/21/00/67/963210067.db2.gz OZUPKNBOJYXWIM-ZETCQYMHSA-N 0 0 224.264 2.242 20 5 BEBDRN CC[C@@H](C)Nc1cc([N+](=O)[O-])cnc1OC ZINC001167999503 963211743 /nfs/dbraw/zinc/21/17/43/963211743.db2.gz LVHJTYSNRRNLNB-SSDOTTSWSA-N 0 0 225.248 2.209 20 5 BEBDRN C[C@@H](Oc1ncc([N+](=O)[O-])cn1)C1CCCC1 ZINC001226733974 963326035 /nfs/dbraw/zinc/32/60/35/963326035.db2.gz VDYJAOKJUCJYEM-MRVPVSSYSA-N 0 0 237.259 2.342 20 5 BEBDRN CO[C@@H](C)CCOc1nc(C)ccc1[N+](=O)[O-] ZINC001227062497 963449794 /nfs/dbraw/zinc/44/97/94/963449794.db2.gz OGWHIWOREARVAP-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1cccc(O)c1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001227140398 963464902 /nfs/dbraw/zinc/46/49/02/963464902.db2.gz ZCRGTMNKHLKSGD-NSHDSACASA-N 0 0 237.255 2.135 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cc(OC2COC2)c1 ZINC001228254833 963700402 /nfs/dbraw/zinc/70/04/02/963700402.db2.gz AEGCBZQDMWFZOL-UHFFFAOYSA-N 0 0 229.619 2.026 20 5 BEBDRN N#CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001157826140 963741033 /nfs/dbraw/zinc/74/10/33/963741033.db2.gz KBCXXAJABOMOLU-UHFFFAOYSA-N 0 0 214.184 2.036 20 5 BEBDRN Nc1cc(NCCC2CCC2)ncc1[N+](=O)[O-] ZINC001158052132 963801275 /nfs/dbraw/zinc/80/12/75/963801275.db2.gz UJIVRDYATQMATK-UHFFFAOYSA-N 0 0 236.275 2.174 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(O[C@@H]2CCCOC2)cc1 ZINC001229113296 964003516 /nfs/dbraw/zinc/00/35/16/964003516.db2.gz AFZQLQQLMIYTFD-SBDDDAINSA-N 0 0 249.266 2.492 20 5 BEBDRN O=[N+]([O-])C[C@@H](OCc1cccs1)C1CC1 ZINC001223864872 964271061 /nfs/dbraw/zinc/27/10/61/964271061.db2.gz ITLLDTIOJLSVES-SNVBAGLBSA-N 0 0 227.285 2.320 20 5 BEBDRN CC(C)(C)CNc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001161635076 964654943 /nfs/dbraw/zinc/65/49/43/964654943.db2.gz WPHKAZBXPRLANW-UHFFFAOYSA-N 0 0 249.274 2.324 20 5 BEBDRN CC(C)(C)CCO[C@H](C[N+](=O)[O-])C1CC1 ZINC001224724670 964909425 /nfs/dbraw/zinc/90/94/25/964909425.db2.gz JGEKJXXDVUYGJJ-SNVBAGLBSA-N 0 0 215.293 2.495 20 5 BEBDRN Cc1occc1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001162327088 964932319 /nfs/dbraw/zinc/93/23/19/964932319.db2.gz PYLCKBZKVDUVRL-UHFFFAOYSA-N 0 0 249.226 2.209 20 5 BEBDRN Cc1cccc(NCC2CC(=O)C2)c1[N+](=O)[O-] ZINC001168392580 965129751 /nfs/dbraw/zinc/12/97/51/965129751.db2.gz OJJASZQFPZYSAC-UHFFFAOYSA-N 0 0 234.255 2.294 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C=CCC1 ZINC000698293763 965184898 /nfs/dbraw/zinc/18/48/98/965184898.db2.gz OHZBTXZWAUBWOZ-SECBINFHSA-N 0 0 236.275 2.250 20 5 BEBDRN C[C@@H](Nc1cc([N+](=O)[O-])ccn1)c1ccno1 ZINC001163207020 965299826 /nfs/dbraw/zinc/29/98/26/965299826.db2.gz CYEUYVJTSHQMJW-SSDOTTSWSA-N 0 0 234.215 2.151 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC2)c2ccccc21 ZINC001163534116 965430522 /nfs/dbraw/zinc/43/05/22/965430522.db2.gz JTYUTIGEASKHCO-UHFFFAOYSA-N 0 0 229.239 2.353 20 5 BEBDRN CC(C)N(C)c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001163622001 965482047 /nfs/dbraw/zinc/48/20/47/965482047.db2.gz RVVJZBFWMYHKCT-UHFFFAOYSA-N 0 0 234.259 2.316 20 5 BEBDRN CCCOCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000714975399 965574192 /nfs/dbraw/zinc/57/41/92/965574192.db2.gz PQVFXVOSKGZWNW-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN Cc1cnc(NC/C=C\Cl)c([N+](=O)[O-])c1 ZINC001164303063 965835258 /nfs/dbraw/zinc/83/52/58/965835258.db2.gz OECXYORJBHFEOK-IHWYPQMZSA-N 0 0 227.651 2.463 20 5 BEBDRN CC1(F)CN(c2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC001164582897 965925961 /nfs/dbraw/zinc/92/59/61/965925961.db2.gz XYDKZQOAQOWAIK-UHFFFAOYSA-N 0 0 245.641 2.191 20 5 BEBDRN CCCCO[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001205139132 966012904 /nfs/dbraw/zinc/01/29/04/966012904.db2.gz KRCHEYXOHJIDMG-SECBINFHSA-N 0 0 241.291 2.305 20 5 BEBDRN C[C@H](CCO)Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001165905619 966199184 /nfs/dbraw/zinc/19/91/84/966199184.db2.gz PCHONHVDKBBFQK-MRVPVSSYSA-N 0 0 249.270 2.259 20 5 BEBDRN Nc1nc(N[C@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000094261780 966463810 /nfs/dbraw/zinc/46/38/10/966463810.db2.gz CEMBWAOZDYQCKX-QMMMGPOBSA-N 0 0 234.259 2.093 20 5 BEBDRN COc1ccc(Nc2ccc([N+](=O)[O-])nc2)cn1 ZINC001203560417 966687629 /nfs/dbraw/zinc/68/76/29/966687629.db2.gz LDZNNKRCQYZIAK-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN CCc1nccnc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203569221 966694083 /nfs/dbraw/zinc/69/40/83/966694083.db2.gz YXISIZVVMBJZND-UHFFFAOYSA-N 0 0 245.242 2.086 20 5 BEBDRN Cc1ccc(O)c(Nc2ccc([N+](=O)[O-])nc2)n1 ZINC001203567141 966696195 /nfs/dbraw/zinc/69/61/95/966696195.db2.gz XZYCNIYDYOKPJO-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN C[C@H](Nc1nccnc1[N+](=O)[O-])C(C)(C)C ZINC001168682167 967305625 /nfs/dbraw/zinc/30/56/25/967305625.db2.gz JKUDBIPTKCKANS-ZETCQYMHSA-N 0 0 224.264 2.231 20 5 BEBDRN COC[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1O ZINC001229751808 967602412 /nfs/dbraw/zinc/60/24/12/967602412.db2.gz YDXWTANCFFWSTL-QMMMGPOBSA-N 0 0 241.243 2.023 20 5 BEBDRN Nc1cccnc1Nc1ccccc1[N+](=O)[O-] ZINC001206140245 968081885 /nfs/dbraw/zinc/08/18/85/968081885.db2.gz MTCNPJANQUYWJU-UHFFFAOYSA-N 0 0 230.227 2.316 20 5 BEBDRN O=[N+]([O-])c1ccccc1Nc1cncc(O)c1 ZINC001206144162 968084749 /nfs/dbraw/zinc/08/47/49/968084749.db2.gz GADOHIXXRRDXAF-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN O=[N+]([O-])c1ccccc1Nc1cccc(CO)n1 ZINC001206150450 968094596 /nfs/dbraw/zinc/09/45/96/968094596.db2.gz UNIFPTAMWGGINJ-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN Cc1cc(Cl)nc(N2CC=CC2)c1[N+](=O)[O-] ZINC001163917453 968130333 /nfs/dbraw/zinc/13/03/33/968130333.db2.gz QVRZWGOPRNVYCX-UHFFFAOYSA-N 0 0 239.662 2.328 20 5 BEBDRN CN(c1ncc(F)cc1[N+](=O)[O-])C(C)(C)C ZINC001166529733 968321669 /nfs/dbraw/zinc/32/16/69/968321669.db2.gz IXHAPINBTJQANH-UHFFFAOYSA-N 0 0 227.239 2.364 20 5 BEBDRN O=[N+]([O-])c1c(NC2CCC2)nc2ccccn21 ZINC000730568941 968426779 /nfs/dbraw/zinc/42/67/79/968426779.db2.gz DHNJREONITUQFL-UHFFFAOYSA-N 0 0 232.243 2.207 20 5 BEBDRN Cc1nnc(CCc2cccc([N+](=O)[O-])c2)o1 ZINC001253397136 969153675 /nfs/dbraw/zinc/15/36/75/969153675.db2.gz MAGMREGYQHNJJQ-UHFFFAOYSA-N 0 0 233.227 2.071 20 5 BEBDRN Cc1nnc(-c2cc(F)c(F)cc2[N+](=O)[O-])o1 ZINC001253456296 969182820 /nfs/dbraw/zinc/18/28/20/969182820.db2.gz BLKBDMWLBZCWDQ-UHFFFAOYSA-N 0 0 241.153 2.231 20 5 BEBDRN Cc1nccc(-c2nnc(C3CC3)o2)c1[N+](=O)[O-] ZINC001254111653 969502887 /nfs/dbraw/zinc/50/28/87/969502887.db2.gz YDGGDFQFIGIBGW-UHFFFAOYSA-N 0 0 246.226 2.226 20 5 BEBDRN Nc1ccc(Nc2cccnc2)cc1[N+](=O)[O-] ZINC001209932259 969694715 /nfs/dbraw/zinc/69/47/15/969694715.db2.gz MCPITNNPVKTDBX-UHFFFAOYSA-N 0 0 230.227 2.316 20 5 BEBDRN Cc1nccc(Nc2ccc(N)c([N+](=O)[O-])c2)n1 ZINC001209933140 969695847 /nfs/dbraw/zinc/69/58/47/969695847.db2.gz ZBCVIFDVOWNKPQ-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCCO1 ZINC001254550677 969738415 /nfs/dbraw/zinc/73/84/15/969738415.db2.gz OMPMLRAAIWBEQR-SNVBAGLBSA-N 0 0 236.271 2.163 20 5 BEBDRN CCc1nnc(Cc2ccccc2[N+](=O)[O-])o1 ZINC001255056842 969868654 /nfs/dbraw/zinc/86/86/54/969868654.db2.gz LXIYIIURDYGFQY-UHFFFAOYSA-N 0 0 233.227 2.131 20 5 BEBDRN Cc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)no1 ZINC001210393355 969881353 /nfs/dbraw/zinc/88/13/53/969881353.db2.gz ZUUQTDWXGNPXRA-UHFFFAOYSA-N 0 0 235.199 2.340 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Nc1ccon1 ZINC001210443824 969889653 /nfs/dbraw/zinc/88/96/53/969889653.db2.gz PRACFHMLHAPFJD-UHFFFAOYSA-N 0 0 235.199 2.335 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Nc1cnn(C)c1 ZINC001210443892 969889904 /nfs/dbraw/zinc/88/99/04/969889904.db2.gz QQLSVURZIBBBBE-UHFFFAOYSA-N 0 0 248.242 2.081 20 5 BEBDRN CCc1nnc(-c2cc([N+](=O)[O-])ccc2F)o1 ZINC001255132855 969944343 /nfs/dbraw/zinc/94/43/43/969944343.db2.gz XUNORFDMKRMDLD-UHFFFAOYSA-N 0 0 237.190 2.346 20 5 BEBDRN CCc1nnc(-c2cc(OC)cc([N+](=O)[O-])c2)o1 ZINC001255138190 969950549 /nfs/dbraw/zinc/95/05/49/969950549.db2.gz NXRFGKUZVCEXSA-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN CCCN(C)c1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001156873762 970015181 /nfs/dbraw/zinc/01/51/81/970015181.db2.gz IQXNZEYCKQTHCW-UHFFFAOYSA-N 0 0 244.682 2.193 20 5 BEBDRN CCCN(C)c1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001156873694 970016826 /nfs/dbraw/zinc/01/68/26/970016826.db2.gz HVIZKFWNXLWRGX-UHFFFAOYSA-N 0 0 239.275 2.153 20 5 BEBDRN Cn1ccnc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210948734 970086532 /nfs/dbraw/zinc/08/65/32/970086532.db2.gz AEOLXCCOLBLMKQ-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2cccnn2)ccc1F ZINC001211187994 970168327 /nfs/dbraw/zinc/16/83/27/970168327.db2.gz DCGLQAYPWBOLOU-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=c1cc[nH]cc1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211192692 970168545 /nfs/dbraw/zinc/16/85/45/970168545.db2.gz ILIKAUQGXBAIDV-UHFFFAOYSA-N 0 0 249.201 2.166 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1cnncc1N ZINC001211287133 970214994 /nfs/dbraw/zinc/21/49/94/970214994.db2.gz FMEBIHQOKOGKMS-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN Cc1ccc(Nc2cncnc2)cc1[N+](=O)[O-] ZINC001213660216 970369195 /nfs/dbraw/zinc/36/91/95/970369195.db2.gz WUNFBMOLKTXPNW-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ccc(Nc2cn(C)cn2)cc1[N+](=O)[O-] ZINC001213660180 970371129 /nfs/dbraw/zinc/37/11/29/970371129.db2.gz UVWNADPWBOEXEA-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Cc1ccc(Nc2cn[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC001213663495 970377774 /nfs/dbraw/zinc/37/77/74/970377774.db2.gz JRTRWRXFPKXGCY-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN CCCCCCc1nnc(CC[N+](=O)[O-])o1 ZINC001256313444 970729289 /nfs/dbraw/zinc/72/92/89/970729289.db2.gz WLHDPNRLIJLUMU-UHFFFAOYSA-N 0 0 227.264 2.012 20 5 BEBDRN C[C@@H](OC1COC1)c1cccc([N+](=O)[O-])c1 ZINC001222688148 972634515 /nfs/dbraw/zinc/63/45/15/972634515.db2.gz UNHLPSABERKVMX-MRVPVSSYSA-N 0 0 223.228 2.071 20 5 BEBDRN CC(=O)[C@H](C)OCc1ccccc1[N+](=O)[O-] ZINC001222760263 972684569 /nfs/dbraw/zinc/68/45/69/972684569.db2.gz MFCKCQDLFCXRIP-VIFPVBQESA-N 0 0 223.228 2.089 20 5 BEBDRN O=[N+]([O-])c1ccccc1COC[C@@H]1CCCO1 ZINC001222760482 972685813 /nfs/dbraw/zinc/68/58/13/972685813.db2.gz PRWLACSGKLHTRP-NSHDSACASA-N 0 0 237.255 2.290 20 5 BEBDRN CC(=O)[C@@H](C)OCc1ccc([N+](=O)[O-])cc1 ZINC001222791541 972696161 /nfs/dbraw/zinc/69/61/61/972696161.db2.gz SLCUVQQTLSPHGG-SECBINFHSA-N 0 0 223.228 2.089 20 5 BEBDRN Cc1c(COC[C@H]2CCO2)cccc1[N+](=O)[O-] ZINC001223331497 972960977 /nfs/dbraw/zinc/96/09/77/972960977.db2.gz KXJJVBUANFHXIU-LLVKDONJSA-N 0 0 237.255 2.209 20 5 BEBDRN C[C@@H](O[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC001223424980 973064791 /nfs/dbraw/zinc/06/47/91/973064791.db2.gz OJGYEIAIYMKTGN-BXKDBHETSA-N 0 0 237.255 2.461 20 5 BEBDRN COCc1nnc(-c2cccc(C)c2[N+](=O)[O-])o1 ZINC001328447075 973065030 /nfs/dbraw/zinc/06/50/30/973065030.db2.gz KICPHDSFSMTLLE-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1COC1CC1 ZINC001223945102 973341002 /nfs/dbraw/zinc/34/10/02/973341002.db2.gz BIYYLRHYIASBET-UHFFFAOYSA-N 0 0 223.228 2.282 20 5 BEBDRN COc1cc(Nc2ccccc2[N+](=O)[O-])ncn1 ZINC001206140308 974092540 /nfs/dbraw/zinc/09/25/40/974092540.db2.gz PPQKYCHRJVXYBA-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1ccccc1F)C1CC1 ZINC001225200752 974217867 /nfs/dbraw/zinc/21/78/67/974217867.db2.gz QWSIFOSSJBCVIO-NSHDSACASA-N 0 0 225.219 2.260 20 5 BEBDRN COc1ccccc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001225215560 974240928 /nfs/dbraw/zinc/24/09/28/974240928.db2.gz OFYFROXHKZZXNK-LBPRGKRZSA-N 0 0 237.255 2.129 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1ccc(Cl)cn1)C1CC1 ZINC001225275580 974338022 /nfs/dbraw/zinc/33/80/22/974338022.db2.gz UYVWVHCTGDFMLF-SECBINFHSA-N 0 0 242.662 2.169 20 5 BEBDRN Cc1nc(N[C@@H](C)c2ccc[nH]2)ncc1[N+](=O)[O-] ZINC001330592063 974343828 /nfs/dbraw/zinc/34/38/28/974343828.db2.gz YVLLNRHBYKFSIY-ZETCQYMHSA-N 0 0 247.258 2.194 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1cncc(Cl)c1)C1CC1 ZINC001225289743 974361422 /nfs/dbraw/zinc/36/14/22/974361422.db2.gz ONOCRHJNNKYQKJ-JTQLQIEISA-N 0 0 242.662 2.169 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1ccc(F)cc1F)C1CC1 ZINC001225312542 974388133 /nfs/dbraw/zinc/38/81/33/974388133.db2.gz UPBBKZROHBTQHN-NSHDSACASA-N 0 0 243.209 2.399 20 5 BEBDRN C[C@H]1COC[C@@H]1Oc1cc(F)ccc1[N+](=O)[O-] ZINC001225575606 974559771 /nfs/dbraw/zinc/55/97/71/974559771.db2.gz UNGWJWKUWGNQTC-CPCISQLKSA-N 0 0 241.218 2.148 20 5 BEBDRN CCC(=O)[C@@H](CC)Oc1cccnc1[N+](=O)[O-] ZINC001225629535 974603196 /nfs/dbraw/zinc/60/31/96/974603196.db2.gz OQJCLDBEXDKUAN-SECBINFHSA-N 0 0 238.243 2.126 20 5 BEBDRN O=[N+]([O-])c1ncccc1OC1CC(F)(F)C1 ZINC001225628500 974604991 /nfs/dbraw/zinc/60/49/91/974604991.db2.gz NTOYAYJJJPZMKI-UHFFFAOYSA-N 0 0 230.170 2.166 20 5 BEBDRN CCCOC[C@@H](C)Oc1ccc([N+](=O)[O-])cn1 ZINC001225632476 974606835 /nfs/dbraw/zinc/60/68/35/974606835.db2.gz MAYRFECGIZVLMI-SECBINFHSA-N 0 0 240.259 2.184 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2C=CCC2)nc1 ZINC001225630783 974607913 /nfs/dbraw/zinc/60/79/13/974607913.db2.gz FPIFWAURKDQKEN-VIFPVBQESA-N 0 0 206.201 2.087 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)nc1 ZINC001225632860 974608958 /nfs/dbraw/zinc/60/89/58/974608958.db2.gz MVEBJVYZSAWETA-IQJOONFLSA-N 0 0 232.239 2.333 20 5 BEBDRN Cc1cccc(O[C@H]2COC[C@@H]2C)c1[N+](=O)[O-] ZINC001225633062 974609196 /nfs/dbraw/zinc/60/91/96/974609196.db2.gz PHFTUMBVKALYDB-ONGXEEELSA-N 0 0 237.255 2.317 20 5 BEBDRN CO[C@@H](C)CCOc1cc(C)c([N+](=O)[O-])cn1 ZINC001225664026 974631204 /nfs/dbraw/zinc/63/12/04/974631204.db2.gz WPWGOYWTRAVVBF-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN O=c1cc[nH]c(O[C@H]2C=CCCC2)c1[N+](=O)[O-] ZINC001225666670 974635932 /nfs/dbraw/zinc/63/59/32/974635932.db2.gz KOUBNKMOXNBOCB-QMMMGPOBSA-N 0 0 236.227 2.183 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1OC[C@@H]1CCO1 ZINC001225709827 974655515 /nfs/dbraw/zinc/65/55/15/974655515.db2.gz DFFDVNYQMLNQSG-QMMMGPOBSA-N 0 0 243.646 2.416 20 5 BEBDRN O=[N+]([O-])c1cccc(OC2COC2)c1Cl ZINC001225785656 974681798 /nfs/dbraw/zinc/68/17/98/974681798.db2.gz JWQMGWCJASFSDK-UHFFFAOYSA-N 0 0 229.619 2.026 20 5 BEBDRN COC[C@H](C)Oc1ccc(F)cc1[N+](=O)[O-] ZINC001225904947 974725039 /nfs/dbraw/zinc/72/50/39/974725039.db2.gz LZFNNMFEDULZIM-ZETCQYMHSA-N 0 0 229.207 2.148 20 5 BEBDRN C[C@H]1COC[C@@H]1Oc1ccc([N+](=O)[O-])c(F)c1 ZINC001225912364 974727359 /nfs/dbraw/zinc/72/73/59/974727359.db2.gz HOMKJQANWWROSM-CPCISQLKSA-N 0 0 241.218 2.148 20 5 BEBDRN C[C@@H](C[N+](C)(C)C)Oc1cccc([S-])c1 ZINC001226014089 974762456 /nfs/dbraw/zinc/76/24/56/974762456.db2.gz PAWJSZDASQEIAW-JTQLQIEISA-O 0 0 226.365 2.449 20 5 BEBDRN Cc1ccnc(O[C@@H]2C[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC001226117727 974798453 /nfs/dbraw/zinc/79/84/53/974798453.db2.gz GNJFGCVQXKGXON-ILWJIGKKSA-N 0 0 234.255 2.476 20 5 BEBDRN CO[C@H](C)COc1ncc(Cl)cc1[N+](=O)[O-] ZINC001226129224 974803340 /nfs/dbraw/zinc/80/33/40/974803340.db2.gz ACOLMLDUWNVEQZ-ZCFIWIBFSA-N 0 0 246.650 2.057 20 5 BEBDRN O=[N+]([O-])c1cc(OC2COC2)c(Cl)cc1F ZINC001226195894 974824776 /nfs/dbraw/zinc/82/47/76/974824776.db2.gz MLFVEAZJPAENEB-UHFFFAOYSA-N 0 0 247.609 2.165 20 5 BEBDRN O=[N+]([O-])c1cccc(O)c1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001226334205 974863579 /nfs/dbraw/zinc/86/35/79/974863579.db2.gz SNHFRMAWSAYTMQ-AYMMMOKOSA-N 0 0 235.239 2.478 20 5 BEBDRN Cc1nc(N[C@]23C[C@H]2CCCC3)ncc1[N+](=O)[O-] ZINC001331962327 974892907 /nfs/dbraw/zinc/89/29/07/974892907.db2.gz VQQMBBGRAFZUEZ-BXKDBHETSA-N 0 0 248.286 2.438 20 5 BEBDRN C[C@H](Oc1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001226429180 974896105 /nfs/dbraw/zinc/89/61/05/974896105.db2.gz JVEUYYUZHVZIEX-QMMMGPOBSA-N 0 0 233.227 2.458 20 5 BEBDRN CC[C@H](C)Oc1cc(OC)c([N+](=O)[O-])cn1 ZINC001226580952 974964887 /nfs/dbraw/zinc/96/48/87/974964887.db2.gz HJLKCSALFHGBBI-ZETCQYMHSA-N 0 0 226.232 2.176 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@H]2CCC=CO2)cn1 ZINC001226709877 975042523 /nfs/dbraw/zinc/04/25/23/975042523.db2.gz LUFOIQUPLABIJN-SNVBAGLBSA-N 0 0 236.227 2.061 20 5 BEBDRN O=[N+]([O-])c1cnc(O[C@H]2CCCC[C@@H]2F)nc1 ZINC001226734214 975051775 /nfs/dbraw/zinc/05/17/75/975051775.db2.gz VXWNTXYDIGUPPT-IUCAKERBSA-N 0 0 241.222 2.044 20 5 BEBDRN CCC[C@@H](CC)Oc1ncc([N+](=O)[O-])cn1 ZINC001226731545 975052133 /nfs/dbraw/zinc/05/21/33/975052133.db2.gz PAZMCXONODGEBG-SECBINFHSA-N 0 0 225.248 2.342 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1OC1CC=CC1 ZINC001226762502 975064382 /nfs/dbraw/zinc/06/43/82/975064382.db2.gz WVANUVSYLIHORU-UHFFFAOYSA-N 0 0 220.228 2.396 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@@H]2CCO2)c(Cl)c1 ZINC001226762346 975064452 /nfs/dbraw/zinc/06/44/52/975064452.db2.gz QXAHXWZSWLXDHW-QMMMGPOBSA-N 0 0 243.646 2.416 20 5 BEBDRN CCO[C@@H](C)COc1ncc([N+](=O)[O-])cc1C ZINC001226764603 975065504 /nfs/dbraw/zinc/06/55/04/975065504.db2.gz LJLCOCOTYNDSPB-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN C[C@@H]1COCC[C@H]1Oc1cccc([N+](=O)[O-])c1 ZINC001226767061 975068056 /nfs/dbraw/zinc/06/80/56/975068056.db2.gz HBFCWHADDJDOMX-BXKDBHETSA-N 0 0 237.255 2.399 20 5 BEBDRN Cc1ccc(O[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC001226950377 975180667 /nfs/dbraw/zinc/18/06/67/975180667.db2.gz IRFPSSARLTVWKV-SNVBAGLBSA-N 0 0 223.228 2.071 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC1CCOCC1 ZINC001226994109 975213066 /nfs/dbraw/zinc/21/30/66/975213066.db2.gz BRVCGMYRJZLKNA-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1ncccc1Cl)C1CC1 ZINC001227119748 975286593 /nfs/dbraw/zinc/28/65/93/975286593.db2.gz YOPHCTJXRMTXMT-SECBINFHSA-N 0 0 242.662 2.169 20 5 BEBDRN O=[N+]([O-])c1ccc2nc(OC3CC3)oc2c1 ZINC001227231585 975319293 /nfs/dbraw/zinc/31/92/93/975319293.db2.gz BPMXRHQMYZIQTJ-UHFFFAOYSA-N 0 0 220.184 2.277 20 5 BEBDRN Cc1cnc(O[C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001227236239 975320763 /nfs/dbraw/zinc/32/07/63/975320763.db2.gz DDUYCCVROXIBMH-ILWJIGKKSA-N 0 0 234.255 2.476 20 5 BEBDRN C[C@@H]1COCC[C@H]1Oc1ccccc1[N+](=O)[O-] ZINC001227484596 975468726 /nfs/dbraw/zinc/46/87/26/975468726.db2.gz SRWCFKYFAFFTRB-MWLCHTKSSA-N 0 0 237.255 2.399 20 5 BEBDRN CCO[C@H](C)COc1ccccc1[N+](=O)[O-] ZINC001227484738 975470900 /nfs/dbraw/zinc/47/09/00/975470900.db2.gz WGHXVKNDEBJXAG-SECBINFHSA-N 0 0 225.244 2.399 20 5 BEBDRN CC[C@H](C)Oc1ncc([N+](=O)[O-])c2nc[nH]c21 ZINC001227693305 975623019 /nfs/dbraw/zinc/62/30/19/975623019.db2.gz RWEQJCCRMVINEJ-LURJTMIESA-N 0 0 236.231 2.043 20 5 BEBDRN C[C@H](Oc1cncc([N+](=O)[O-])c1)C(F)(F)F ZINC001227986636 975833405 /nfs/dbraw/zinc/83/34/05/975833405.db2.gz BISMLLZUXVBGJF-YFKPBYRVSA-N 0 0 236.149 2.319 20 5 BEBDRN C[C@@H](Oc1cncc([N+](=O)[O-])c1)C(F)(F)F ZINC001227986633 975835215 /nfs/dbraw/zinc/83/52/15/975835215.db2.gz BISMLLZUXVBGJF-RXMQYKEDSA-N 0 0 236.149 2.319 20 5 BEBDRN COC[C@H](C)Oc1cc([N+](=O)[O-])cc(F)c1F ZINC001228021169 975855480 /nfs/dbraw/zinc/85/54/80/975855480.db2.gz AXGHBKFFVGRADN-LURJTMIESA-N 0 0 247.197 2.287 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cc(OC[C@H]2CCO2)c1 ZINC001228255238 976021283 /nfs/dbraw/zinc/02/12/83/976021283.db2.gz FJMIOSWTVDLWPL-SECBINFHSA-N 0 0 243.646 2.416 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1N[C@H]1CCC[C@@H](F)C1 ZINC001333764628 976069154 /nfs/dbraw/zinc/06/91/54/976069154.db2.gz MPSAKQMXPUEEQE-SFYZADRCSA-N 0 0 242.254 2.021 20 5 BEBDRN CC(=O)[C@H](C)Oc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001228610941 976380074 /nfs/dbraw/zinc/38/00/74/976380074.db2.gz BUTFIVOQYNDVFH-LURJTMIESA-N 0 0 245.181 2.229 20 5 BEBDRN O=[N+]([O-])c1cncnc1O[C@H]1CCCC[C@@H]1F ZINC001228654969 976407419 /nfs/dbraw/zinc/40/74/19/976407419.db2.gz OCUGRQGRJHECCR-CBAPKCEASA-N 0 0 241.222 2.044 20 5 BEBDRN Cc1cc(OC2CC3(COC3)C2)cc([N+](=O)[O-])c1 ZINC001228833910 976512101 /nfs/dbraw/zinc/51/21/01/976512101.db2.gz UTHKWBKAXGIPDC-UHFFFAOYSA-N 0 0 249.266 2.461 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(O[C@H]2CCCOC2)cc1 ZINC001229117275 976748934 /nfs/dbraw/zinc/74/89/34/976748934.db2.gz AFZQLQQLMIYTFD-GWJCSSMESA-N 0 0 249.266 2.492 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(OC[C@H]2CCO2)cc1 ZINC001229119825 976758880 /nfs/dbraw/zinc/75/88/80/976758880.db2.gz SKOCOMKIXPXEKE-HOSRBBHYSA-N 0 0 235.239 2.102 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1OC[C@H]1CCO1 ZINC001229377748 976851881 /nfs/dbraw/zinc/85/18/81/976851881.db2.gz QRVXBAUQIHJVIN-MRVPVSSYSA-N 0 0 243.646 2.416 20 5 BEBDRN C[C@H](Oc1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC001229397262 976857290 /nfs/dbraw/zinc/85/72/90/976857290.db2.gz FQNATUHQJWYAJW-ZETCQYMHSA-N 0 0 223.228 2.478 20 5 BEBDRN O=[N+]([O-])c1ccc(O)c(O[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC001229396241 976858589 /nfs/dbraw/zinc/85/85/89/976858589.db2.gz RRLOXNGFGJPUOF-DIYOJNKTSA-N 0 0 235.239 2.478 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)ncnc2OC1CC1 ZINC001229402870 976862325 /nfs/dbraw/zinc/86/23/25/976862325.db2.gz MXSXTYCOLPOMOP-UHFFFAOYSA-N 0 0 231.211 2.079 20 5 BEBDRN Cc1cc(OC[C@H]2CCO2)cc(C)c1[N+](=O)[O-] ZINC001229466818 976875261 /nfs/dbraw/zinc/87/52/61/976875261.db2.gz XYPWGFCVQMGQEG-SNVBAGLBSA-N 0 0 237.255 2.379 20 5 BEBDRN Cc1c(C)c([N+](=O)[O-])ccc1OC[C@H]1CCO1 ZINC001229880342 977012378 /nfs/dbraw/zinc/01/23/78/977012378.db2.gz BAGDAXZSQBRBEI-SNVBAGLBSA-N 0 0 237.255 2.379 20 5 BEBDRN Cc1ccc(O[C@H]2COC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001230144193 977120746 /nfs/dbraw/zinc/12/07/46/977120746.db2.gz STPPQXWFQVBJLE-CABZTGNLSA-N 0 0 237.255 2.317 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NCCCC(F)F ZINC001335540580 977129941 /nfs/dbraw/zinc/12/99/41/977129941.db2.gz QUXFBMGHESPBPP-UHFFFAOYSA-N 0 0 245.229 2.177 20 5 BEBDRN O=[N+]([O-])c1c[nH]cc2nc(OC3CCCC3)nc1-2 ZINC001230230666 977139252 /nfs/dbraw/zinc/13/92/52/977139252.db2.gz YXJJBWSZNVWEDO-UHFFFAOYSA-N 0 0 248.242 2.188 20 5 BEBDRN O=[N+]([O-])c1ccc(F)c(Nc2ccno2)c1 ZINC001175735295 977670659 /nfs/dbraw/zinc/67/06/59/977670659.db2.gz BUHHRVRVMFWDKJ-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN O=[N+]([O-])c1ccc(F)c(Nc2ccon2)c1 ZINC001175735609 977671275 /nfs/dbraw/zinc/67/12/75/977671275.db2.gz YAIIAYPSCPXTGC-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN CCC(CC)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001336439541 977688433 /nfs/dbraw/zinc/68/84/33/977688433.db2.gz OBMRAFPAPUVCNA-UHFFFAOYSA-N 0 0 224.264 2.173 20 5 BEBDRN Cn1cnc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)c1 ZINC001175899881 977811676 /nfs/dbraw/zinc/81/16/76/977811676.db2.gz BVYUFPNIIUXSGV-VOTSOKGWSA-N 0 0 244.254 2.411 20 5 BEBDRN COc1ccc(Nc2cn(C)cn2)cc1[N+](=O)[O-] ZINC001176359938 978050538 /nfs/dbraw/zinc/05/05/38/978050538.db2.gz PCOQEAJGUPISCG-UHFFFAOYSA-N 0 0 248.242 2.081 20 5 BEBDRN C[C@@H]1CC[C@H](Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337130020 978179282 /nfs/dbraw/zinc/17/92/82/978179282.db2.gz ALWBNJBBHKCBTL-SFYZADRCSA-N 0 0 236.275 2.173 20 5 BEBDRN Nc1cc(NC2CCC=CCC2)ncc1[N+](=O)[O-] ZINC001337266812 978253948 /nfs/dbraw/zinc/25/39/48/978253948.db2.gz GDRLIIRMFATBJB-UHFFFAOYSA-N 0 0 248.286 2.483 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]3CC[C@H]2O3)s1 ZINC001337560901 978409676 /nfs/dbraw/zinc/40/96/76/978409676.db2.gz DBYIZRIGPUBLLB-XLPZGREQSA-N 0 0 240.284 2.388 20 5 BEBDRN Nc1cc(N[C@H]2CCC[C@@H]3C[C@@H]32)ncc1[N+](=O)[O-] ZINC001337908074 978558533 /nfs/dbraw/zinc/55/85/33/978558533.db2.gz CHCGYUYPEYNCIV-WEDXCCLWSA-N 0 0 248.286 2.173 20 5 BEBDRN COC[C@H](C)Oc1ccc([N+](=O)[O-])c(F)c1F ZINC001233765394 978693371 /nfs/dbraw/zinc/69/33/71/978693371.db2.gz UOQWREMRDZNBRO-LURJTMIESA-N 0 0 247.197 2.287 20 5 BEBDRN O=[N+]([O-])c1cc(OC2CCCC2)ccn1 ZINC001233858672 978715833 /nfs/dbraw/zinc/71/58/33/978715833.db2.gz YRPJUMNGAADVEX-UHFFFAOYSA-N 0 0 208.217 2.311 20 5 BEBDRN C[C@H](Nc1cc(N)c([N+](=O)[O-])cn1)C1CCC1 ZINC001339627729 978881953 /nfs/dbraw/zinc/88/19/53/978881953.db2.gz MOYDDCMLFBVVRL-ZETCQYMHSA-N 0 0 236.275 2.173 20 5 BEBDRN CC(=O)OCSCc1ccc([N+](=O)[O-])cc1 ZINC001339834688 978919681 /nfs/dbraw/zinc/91/96/81/978919681.db2.gz DNEBAPDRCSUSMD-UHFFFAOYSA-N 0 0 241.268 2.349 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(OC2CCCC2)n1 ZINC001234879541 978924222 /nfs/dbraw/zinc/92/42/22/978924222.db2.gz QILRAJRHZJZZNY-UHFFFAOYSA-N 0 0 238.243 2.320 20 5 BEBDRN Cc1nccc([N+](=O)[O-])c1O[C@H](C)C1CC1 ZINC001234903189 978927889 /nfs/dbraw/zinc/92/78/89/978927889.db2.gz KCAIHWIEWRWZJG-MRVPVSSYSA-N 0 0 222.244 2.476 20 5 BEBDRN Cc1nccc([N+](=O)[O-])c1OC1CC=CC1 ZINC001234900270 978927948 /nfs/dbraw/zinc/92/79/48/978927948.db2.gz HMYFJNIRORXBFS-UHFFFAOYSA-N 0 0 220.228 2.396 20 5 BEBDRN COCc1nnc(-c2cccc([N+](=O)[O-])c2C)o1 ZINC001341654930 979511300 /nfs/dbraw/zinc/51/13/00/979511300.db2.gz TWYYOOBCYMSOGS-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN Cc1ccncc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203560023 979742455 /nfs/dbraw/zinc/74/24/55/979742455.db2.gz FNWBCDVLPYBHGP-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccoc2)cn1 ZINC001203569164 979834098 /nfs/dbraw/zinc/83/40/98/979834098.db2.gz VWKZQNLFDIONAU-UHFFFAOYSA-N 0 0 205.173 2.326 20 5 BEBDRN CC1(Nc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC001343600015 980162701 /nfs/dbraw/zinc/16/27/01/980162701.db2.gz VDUWIECEGSDVMQ-UHFFFAOYSA-N 0 0 232.243 2.207 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001343678734 980187083 /nfs/dbraw/zinc/18/70/83/980187083.db2.gz GCAWKTLAKMBZRQ-VPOLOUISSA-N 0 0 241.287 2.021 20 5 BEBDRN O=C(NC/C=C/C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001344010901 980310214 /nfs/dbraw/zinc/31/02/14/980310214.db2.gz CUSBCCLVHAIFND-OWOJBTEDSA-N 0 0 246.266 2.291 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)/C=C\C1CCCC1 ZINC001344401137 980387147 /nfs/dbraw/zinc/38/71/47/980387147.db2.gz BRSZTZNLMABPCQ-TVRMLOFPSA-N 0 0 241.287 2.331 20 5 BEBDRN CCC[C@@H](CC)C(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001344403864 980390356 /nfs/dbraw/zinc/39/03/56/980390356.db2.gz PRNRZAVIUPCRPW-NXEZZACHSA-N 0 0 231.292 2.411 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H](F)C2)n1 ZINC001186821749 980447119 /nfs/dbraw/zinc/44/71/19/980447119.db2.gz MLVRCZHMVGELNC-HTQZYQBOSA-N 0 0 242.254 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@H]1CCC[C@@H]1C ZINC001345002588 980517228 /nfs/dbraw/zinc/51/72/28/980517228.db2.gz YARLOMUDKRHRBK-HBNTYKKESA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1conc1COc1ccc([N+](=O)[O-])cc1 ZINC001188201837 980620790 /nfs/dbraw/zinc/62/07/90/980620790.db2.gz MMVOPCMLZIGJIZ-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001345693055 980673575 /nfs/dbraw/zinc/67/35/75/980673575.db2.gz HVNVVJHCSQAZPS-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CCC=C(F)C1 ZINC001346095085 980756826 /nfs/dbraw/zinc/75/68/26/980756826.db2.gz ZFOBPEVAIMCUIS-UHFFFAOYSA-N 0 0 237.234 2.362 20 5 BEBDRN O=[N+]([O-])c1ccccc1-c1cnn(CCF)c1 ZINC001189627335 980806463 /nfs/dbraw/zinc/80/64/63/980806463.db2.gz WYTMJTPWSSQMCY-UHFFFAOYSA-N 0 0 235.218 2.428 20 5 BEBDRN CC(C)c1ccc(C(=O)N(C)C#N)cc1[N+](=O)[O-] ZINC001585498370 981927347 /nfs/dbraw/zinc/92/73/47/981927347.db2.gz BLQDOIYFJLXJQV-UHFFFAOYSA-N 0 0 247.254 2.271 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC=CO1 ZINC001587128193 982051559 /nfs/dbraw/zinc/05/15/59/982051559.db2.gz IXYRDSQDJCBRAJ-LLVKDONJSA-N 0 0 248.238 2.226 20 5 BEBDRN O=C(OCc1cccnc1[N+](=O)[O-])C1=CCCC1 ZINC001353237226 982792543 /nfs/dbraw/zinc/79/25/43/982792543.db2.gz BOLNPNKOTLVOSO-UHFFFAOYSA-N 0 0 248.238 2.143 20 5 BEBDRN Cc1c(Nc2cc(O)cc([N+](=O)[O-])c2)ncn1C ZINC001199818910 983016232 /nfs/dbraw/zinc/01/62/32/983016232.db2.gz GUAZJSJWNYTAAO-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN Cc1ccc(NC(=O)C2(C)CC2)c(N)c1[N+](=O)[O-] ZINC001353836123 983019635 /nfs/dbraw/zinc/01/96/35/983019635.db2.gz SWXRUGZLQVPAOP-UHFFFAOYSA-N 0 0 249.270 2.224 20 5 BEBDRN Cc1cc(Nc2cc(O)cc([N+](=O)[O-])c2)no1 ZINC001199800789 983021046 /nfs/dbraw/zinc/02/10/46/983021046.db2.gz HBSAZHBQTBSFKZ-UHFFFAOYSA-N 0 0 235.199 2.340 20 5 BEBDRN O=[N+]([O-])c1cccc([S@@](=O)CC2CC2)c1 ZINC001353972905 983102931 /nfs/dbraw/zinc/10/29/31/983102931.db2.gz ORDXMHPLYZKOPK-HNNXBMFYSA-N 0 0 225.269 2.112 20 5 BEBDRN Cc1ccc(OC(=O)[C@@H]2C[C@H]2F)c([N+](=O)[O-])c1 ZINC001356155695 983582506 /nfs/dbraw/zinc/58/25/06/983582506.db2.gz ATYQDMPEYZIIIO-HTQZYQBOSA-N 0 0 239.202 2.167 20 5 BEBDRN CC(C)CCCO[C@H](C[N+](=O)[O-])C1CC1 ZINC001205971308 984133728 /nfs/dbraw/zinc/13/37/28/984133728.db2.gz STVCLJZSGDEKAI-LLVKDONJSA-N 0 0 215.293 2.495 20 5 BEBDRN O=C(Nc1ccns1)c1cccc([N+](=O)[O-])c1 ZINC001438531906 984370393 /nfs/dbraw/zinc/37/03/93/984370393.db2.gz QVIAXAMHIZMDCR-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(NC[C@H]2CC=CCC2)n1 ZINC001458136942 985266389 /nfs/dbraw/zinc/26/63/89/985266389.db2.gz MSCYUKQPAFLFGQ-VIFPVBQESA-N 0 0 236.275 2.097 20 5 BEBDRN CCOC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000208292899 987404567 /nfs/dbraw/zinc/40/45/67/987404567.db2.gz AVQNRVRQAPYBGW-GHMZBOCLSA-N 0 0 235.239 2.261 20 5 BEBDRN Cc1nc(N2CCC[C@@H]2C2CC2)ncc1[N+](=O)[O-] ZINC001117754689 987892122 /nfs/dbraw/zinc/89/21/22/987892122.db2.gz LTEUHJXNSIBROI-SNVBAGLBSA-N 0 0 248.286 2.072 20 5 BEBDRN CCc1nnc(-c2cc(F)cc([N+](=O)[O-])c2)o1 ZINC001118353127 988246085 /nfs/dbraw/zinc/24/60/85/988246085.db2.gz MEVWKSNXRZBQBF-UHFFFAOYSA-N 0 0 237.190 2.346 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC[C@H]1CC=CCC1 ZINC001322485184 988289890 /nfs/dbraw/zinc/28/98/90/988289890.db2.gz DKNDNSCABJVNML-NSHDSACASA-N 0 0 247.298 2.488 20 5 BEBDRN Cc1cc(C(=O)NC2(C)CC2)cc([N+](=O)[O-])c1 ZINC001323255772 988481542 /nfs/dbraw/zinc/48/15/42/988481542.db2.gz HITQBKOONBDHCO-UHFFFAOYSA-N 0 0 234.255 2.186 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]1C ZINC001324297709 988784745 /nfs/dbraw/zinc/78/47/45/988784745.db2.gz OWQNJUCYICHPTR-WCBMZHEXSA-N 0 0 235.287 2.321 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@H]1CCC1(C)C ZINC001324403711 988828738 /nfs/dbraw/zinc/82/87/38/988828738.db2.gz OXWRHPSKHDWMIV-JTQLQIEISA-N 0 0 235.287 2.321 20 5 BEBDRN CC(C)(CF)NC(=O)c1ccccc1[N+](=O)[O-] ZINC001119288692 988886965 /nfs/dbraw/zinc/88/69/65/988886965.db2.gz PQXBSDGMPJKKOT-UHFFFAOYSA-N 0 0 240.234 2.073 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCC2CSC2)nc1 ZINC001516258420 989144128 /nfs/dbraw/zinc/14/41/28/989144128.db2.gz DVKKUYGEOGODQV-UHFFFAOYSA-N 0 0 239.300 2.155 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@H]1CC[C@H](C)C1 ZINC001517191491 989208034 /nfs/dbraw/zinc/20/80/34/989208034.db2.gz CNNHQQFEXUTVDE-GARJFASQSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC[C@@H]1C ZINC001517179283 989208980 /nfs/dbraw/zinc/20/89/80/989208980.db2.gz LDVRWVSFTAIOIW-AXFHLTTASA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)CCC1(C)CC1 ZINC001517179450 989209904 /nfs/dbraw/zinc/20/99/04/989209904.db2.gz NTYKGSNHCMYFJP-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN CCc1occc1C(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001517179468 989210058 /nfs/dbraw/zinc/21/00/58/989210058.db2.gz OBUZZSQPIVYBQC-MRVPVSSYSA-N 0 0 241.243 2.054 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1ncccc1O ZINC001249544211 989298358 /nfs/dbraw/zinc/29/83/58/989298358.db2.gz IMUIDZSWAYHEGN-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1cncnc1Nc1cc([N+](=O)[O-])cnc1C ZINC001249545401 989305960 /nfs/dbraw/zinc/30/59/60/989305960.db2.gz JNDPCOGCVCWQKC-UHFFFAOYSA-N 0 0 245.242 2.140 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]2C(F)F)cn1 ZINC001120977524 989995371 /nfs/dbraw/zinc/99/53/71/989995371.db2.gz KPRJEZMKZRSPGV-QMMMGPOBSA-N 0 0 243.213 2.224 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001526649680 990168737 /nfs/dbraw/zinc/16/87/37/990168737.db2.gz RQWPJDWUNHMMDO-OPRDCNLKSA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC(C)(C)C1 ZINC001123355115 990558355 /nfs/dbraw/zinc/55/83/55/990558355.db2.gz MEUNLBGYLMTCBU-NXEZZACHSA-N 0 0 243.303 2.411 20 5 BEBDRN CCC/C(C)=C/C(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001123355765 990559306 /nfs/dbraw/zinc/55/93/06/990559306.db2.gz VNPXFBOWCDSOEJ-TTZKWOQHSA-N 0 0 229.276 2.331 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)C1CCCC1 ZINC001123355983 990559317 /nfs/dbraw/zinc/55/93/17/990559317.db2.gz YGPDZGUYXUFICJ-GXSJLCMTSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1cc(NC(=O)N[C@@H]2C[C@H]2C)cc([N+](=O)[O-])c1 ZINC001123453750 990581908 /nfs/dbraw/zinc/58/19/08/990581908.db2.gz NYCVOTGBGOTWHE-LDYMZIIASA-N 0 0 249.270 2.433 20 5 BEBDRN CCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001540428861 990618217 /nfs/dbraw/zinc/61/82/17/990618217.db2.gz SJHKXRMFOHMAAT-UHFFFAOYSA-N 0 0 246.625 2.137 20 5 BEBDRN Cc1nocc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001124406442 990786366 /nfs/dbraw/zinc/78/63/66/990786366.db2.gz QEOFHCXGAPWWGB-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN C/C=C/C=C\C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001556894408 990860508 /nfs/dbraw/zinc/86/05/08/990860508.db2.gz FYQAFPBRYKLSBE-IAROGAJJSA-N 0 0 247.254 2.248 20 5 BEBDRN CON(C)c1nccc2c1cccc2[N+](=O)[O-] ZINC001559047029 991024949 /nfs/dbraw/zinc/02/49/49/991024949.db2.gz CBLKEYUECIKCBW-UHFFFAOYSA-N 0 0 233.227 2.141 20 5 BEBDRN O=[N+]([O-])c1cnn(-c2nc3cccc(F)c3o2)c1 ZINC001559062653 991028989 /nfs/dbraw/zinc/02/89/89/991028989.db2.gz GYAMFHLGOLGLLN-UHFFFAOYSA-N 0 0 248.173 2.061 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)CN(CCCF)C2 ZINC001319394803 991857385 /nfs/dbraw/zinc/85/73/85/991857385.db2.gz PDEAXHAPKLBFNM-UHFFFAOYSA-N 0 0 224.235 2.270 20 5 BEBDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001262706796 993047074 /nfs/dbraw/zinc/04/70/74/993047074.db2.gz ZSDXGVDDPGEGPN-BDNRQGISSA-N 0 0 248.286 2.028 20 5 BEBDRN O=C(OC1CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001263470673 993328740 /nfs/dbraw/zinc/32/87/40/993328740.db2.gz IVBCGDJTDDJELW-VXGBXAGGSA-N 0 0 247.250 2.404 20 5 BEBDRN CCC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001280076691 994096247 /nfs/dbraw/zinc/09/62/47/994096247.db2.gz KKEWPORAUJIJNQ-UHFFFAOYSA-N 0 0 245.238 2.492 20 5 BEBDRN Cc1ccc(CNc2c(C)cncc2[N+](=O)[O-])o1 ZINC001335511765 994797587 /nfs/dbraw/zinc/79/75/87/994797587.db2.gz IQQCDMXMARWWKJ-UHFFFAOYSA-N 0 0 247.254 2.234 20 5 BEBDRN O=[N+]([O-])c1cccc(OCc2cnsn2)c1 ZINC001307257782 994955047 /nfs/dbraw/zinc/95/50/47/994955047.db2.gz ONADNQURXBSZJO-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1CCC(F)=C(F)F ZINC001307245947 995305692 /nfs/dbraw/zinc/30/56/92/995305692.db2.gz CWBDDZQTWWFZIX-UHFFFAOYSA-N 0 0 248.160 2.224 20 5 BEBDRN CC(=O)c1cccc(Cn2cc([N+](=O)[O-])cn2)c1 ZINC001307290013 995311155 /nfs/dbraw/zinc/31/11/55/995311155.db2.gz YFWVXTGTSCCBFX-UHFFFAOYSA-N 0 0 245.238 2.042 20 5 BEBDRN CC1(COc2ccsc2[N+](=O)[O-])COC1 ZINC001307346257 995330394 /nfs/dbraw/zinc/33/03/94/995330394.db2.gz VYAKABFGTWBGLK-UHFFFAOYSA-N 0 0 229.257 2.072 20 5 BEBDRN CCCOCOc1ccsc1[N+](=O)[O-] ZINC001307345420 995331914 /nfs/dbraw/zinc/33/19/14/995331914.db2.gz IPINQJXNYVPACN-UHFFFAOYSA-N 0 0 217.246 2.419 20 5 BEBDRN O=[N+]([O-])c1ccc(COc2cncnc2)cc1F ZINC001307407631 995346362 /nfs/dbraw/zinc/34/63/62/995346362.db2.gz PTRZWTYQTKIQFE-UHFFFAOYSA-N 0 0 249.201 2.103 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCc1ccncn1 ZINC001612441113 1170457656 /nfs/dbraw/zinc/45/76/56/1170457656.db2.gz JQAXSKUKLLKYEM-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN Cc1cc(N(C)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000106489493 178101701 /nfs/dbraw/zinc/10/17/01/178101701.db2.gz QAZROIABBRTDLP-NSHDSACASA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1cc(N2CC3(C2)CCOC3)ccc1[N+](=O)[O-] ZINC000294053241 178112529 /nfs/dbraw/zinc/11/25/29/178112529.db2.gz MKDIBXFWTMFLHK-UHFFFAOYSA-N 0 0 248.282 2.130 20 5 BEBDRN Cc1cc(N2CCC2)c(F)cc1[N+](=O)[O-] ZINC000290935221 178113203 /nfs/dbraw/zinc/11/32/03/178113203.db2.gz JTPAHNCAERWTPT-UHFFFAOYSA-N 0 0 210.208 2.252 20 5 BEBDRN CC(C)(C(=O)N1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000265792390 398202709 /nfs/dbraw/zinc/20/27/09/398202709.db2.gz LYHUFPMSABOOFM-UHFFFAOYSA-N 0 0 248.282 2.105 20 5 BEBDRN Cc1cc(NC(=O)NC2CC2)ccc1[N+](=O)[O-] ZINC000132184619 178139057 /nfs/dbraw/zinc/13/90/57/178139057.db2.gz UQDKLBMOWAREFW-UHFFFAOYSA-N 0 0 235.243 2.187 20 5 BEBDRN Cc1cc(NC[C@@H](C)CCO)ccc1[N+](=O)[O-] ZINC000097442747 178165927 /nfs/dbraw/zinc/16/59/27/178165927.db2.gz POYHPPOIGJWWOL-VIFPVBQESA-N 0 0 238.287 2.334 20 5 BEBDRN Cc1cc(NCc2nccn2C)ccc1[N+](=O)[O-] ZINC000051924226 178177438 /nfs/dbraw/zinc/17/74/38/178177438.db2.gz BFARJMZKJPCFKO-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cc(N[C@H]2CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000147764132 178190561 /nfs/dbraw/zinc/19/05/61/178190561.db2.gz ABDFIFUVOSQNSZ-ONGXEEELSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cc(OCc2cccc([N+](=O)[O-])c2)nn1C ZINC000159770880 178212584 /nfs/dbraw/zinc/21/25/84/178212584.db2.gz NNYDORCWNYACHV-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1cc(Oc2cccc([N+](=O)[O-])c2)ncn1 ZINC000301199719 178215604 /nfs/dbraw/zinc/21/56/04/178215604.db2.gz LZPFQWMUSGBCNE-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN Cc1cc(S[C@H](C)[C@@H](C)O)ncc1[N+](=O)[O-] ZINC000220212470 178219382 /nfs/dbraw/zinc/21/93/82/178219382.db2.gz HQRHWKZFYSRCAR-HTQZYQBOSA-N 0 0 242.300 2.160 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]1C ZINC000172810963 178274563 /nfs/dbraw/zinc/27/45/63/178274563.db2.gz WWDISCVSSMOUSG-SECBINFHSA-N 0 0 221.260 2.287 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[C@@H]1C ZINC000299577306 178270680 /nfs/dbraw/zinc/27/06/80/178270680.db2.gz DBWCXAVJKSFWGB-WPRPVWTQSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C1CC1 ZINC000299673752 178270691 /nfs/dbraw/zinc/27/06/91/178270691.db2.gz UACNNUAJRULZSX-VIFPVBQESA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC1CCOCC1 ZINC000036320003 178272446 /nfs/dbraw/zinc/27/24/46/178272446.db2.gz CCYHHXSIBACFIN-UHFFFAOYSA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCCCCCO ZINC000059538864 178273083 /nfs/dbraw/zinc/27/30/83/178273083.db2.gz ZEEHZEOQXQIESW-UHFFFAOYSA-N 0 0 238.287 2.478 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCOC1 ZINC000037061838 178273217 /nfs/dbraw/zinc/27/32/17/178273217.db2.gz UDWLYRQMOZAXGC-SNVBAGLBSA-N 0 0 236.271 2.352 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1ccon1 ZINC000341934012 178275595 /nfs/dbraw/zinc/27/55/95/178275595.db2.gz XFVLIEZJISHJPW-QMMMGPOBSA-N 0 0 248.242 2.459 20 5 BEBDRN CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000335866251 398246592 /nfs/dbraw/zinc/24/65/92/398246592.db2.gz DLYRGASDITXDJN-UHFFFAOYSA-N 0 0 217.228 2.478 20 5 BEBDRN Cc1ccc(-c2nc(N(C)C)no2)cc1[N+](=O)[O-] ZINC000269303482 178335561 /nfs/dbraw/zinc/33/55/61/178335561.db2.gz SQZMMMAIPDMRGN-UHFFFAOYSA-N 0 0 248.242 2.019 20 5 BEBDRN Cc1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000034548823 178347352 /nfs/dbraw/zinc/34/73/52/178347352.db2.gz DVJFCBMEBFBNKF-UHFFFAOYSA-N 0 0 203.201 2.089 20 5 BEBDRN Cc1ccc(C(=O)N2C[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000293970897 178399332 /nfs/dbraw/zinc/39/93/32/178399332.db2.gz GPCRGTPBMIWGRV-UWVGGRQHSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1cc(C(=O)N(C)C2CC2)ccc1[N+](=O)[O-] ZINC000298359240 398270964 /nfs/dbraw/zinc/27/09/64/398270964.db2.gz RHUSAGFAYPIAKY-UHFFFAOYSA-N 0 0 234.255 2.138 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@H]1CO[C@@H](C)C1 ZINC000402101063 349605685 /nfs/dbraw/zinc/60/56/85/349605685.db2.gz OZWLNDGLIRAQMV-VHSXEESVSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cc(=O)n(-c2cc([N+](=O)[O-])ccc2C)[nH]1 ZINC000601935723 342797436 /nfs/dbraw/zinc/79/74/36/342797436.db2.gz MFZQWRDZHIWTEX-UHFFFAOYSA-N 0 0 233.227 2.016 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CC[C@@H](O)C2)s1 ZINC000309596554 398303879 /nfs/dbraw/zinc/30/38/79/398303879.db2.gz UVCCHOZASWTWEY-JGVFFNPUSA-N 0 0 242.300 2.229 20 5 BEBDRN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CO1 ZINC000401974815 259328910 /nfs/dbraw/zinc/32/89/10/259328910.db2.gz RYNXXUJZMWZDGU-JGVFFNPUSA-N 0 0 240.234 2.323 20 5 BEBDRN CC[C@H](F)COc1ncc(C)cc1[N+](=O)[O-] ZINC000440594434 398329371 /nfs/dbraw/zinc/32/93/71/398329371.db2.gz CCPMRJJPKXKQAV-QMMMGPOBSA-N 0 0 228.223 2.425 20 5 BEBDRN Cc1cc(C(=O)NCCC2CC2)ccc1[N+](=O)[O-] ZINC000174662835 398330781 /nfs/dbraw/zinc/33/07/81/398330781.db2.gz UYPAHFNSXDRTAA-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN C[C@H]1OCC[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000147486276 398344725 /nfs/dbraw/zinc/34/47/25/398344725.db2.gz XQGGJNIIPLBJNQ-APPZFPTMSA-N 0 0 240.234 2.323 20 5 BEBDRN C[C@H]1CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000356748038 187213203 /nfs/dbraw/zinc/21/32/03/187213203.db2.gz NHKBBWIBWDAMAU-ONGXEEELSA-N 0 0 248.282 2.052 20 5 BEBDRN CC(C)C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000224294391 187228060 /nfs/dbraw/zinc/22/80/60/187228060.db2.gz ZSNRYWLMGUNYRH-GFCCVEGCSA-N 0 0 238.287 2.414 20 5 BEBDRN COCC1(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000309951134 343104424 /nfs/dbraw/zinc/10/44/24/343104424.db2.gz GCNWNSPUWBUGCZ-UHFFFAOYSA-N 0 0 222.244 2.186 20 5 BEBDRN CC[C@@](C)(CNc1ncc([N+](=O)[O-])s1)OC ZINC000323203026 259352378 /nfs/dbraw/zinc/35/23/78/259352378.db2.gz GRRLXFMUEYTDNA-VIFPVBQESA-N 0 0 245.304 2.278 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)CO ZINC000276424017 187239152 /nfs/dbraw/zinc/23/91/52/187239152.db2.gz IVBYHSZLEGXFRU-ZETCQYMHSA-N 0 0 244.678 2.349 20 5 BEBDRN CC[C@@H](C)[C@@H](O)CNc1ccsc1[N+](=O)[O-] ZINC000310037913 343226912 /nfs/dbraw/zinc/22/69/12/343226912.db2.gz VOMFGPWYORHYLH-APPZFPTMSA-N 0 0 244.316 2.475 20 5 BEBDRN CC[C@H](C)[C@@H](O)CNc1ccsc1[N+](=O)[O-] ZINC000310037914 343226952 /nfs/dbraw/zinc/22/69/52/343226952.db2.gz VOMFGPWYORHYLH-CBAPKCEASA-N 0 0 244.316 2.475 20 5 BEBDRN CO[C@@H](CNc1ccc([N+](=O)[O-])nc1)C(C)C ZINC000075062660 343360583 /nfs/dbraw/zinc/36/05/83/343360583.db2.gz VJYIEDODZIKNLN-JTQLQIEISA-N 0 0 239.275 2.073 20 5 BEBDRN Cc1noc(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000113743540 136321857 /nfs/dbraw/zinc/32/18/57/136321857.db2.gz KOBAOGQWQKKXCT-UHFFFAOYSA-N 0 0 219.200 2.262 20 5 BEBDRN C[C@@H]1CCC[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310282556 343410257 /nfs/dbraw/zinc/41/02/57/343410257.db2.gz WRZCZKWBWUEHMS-VXNVDRBHSA-N 0 0 236.275 2.173 20 5 BEBDRN Cc1cc[nH]c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000335682774 136329315 /nfs/dbraw/zinc/32/93/15/136329315.db2.gz BKQFEIDGLQIMCE-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN CC(C)=CCSCCn1cc([N+](=O)[O-])cn1 ZINC000278002644 187340646 /nfs/dbraw/zinc/34/06/46/187340646.db2.gz OMFSFDCNQKMGNY-UHFFFAOYSA-N 0 0 241.316 2.491 20 5 BEBDRN COC[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000610076879 343499847 /nfs/dbraw/zinc/49/98/47/343499847.db2.gz HFINEUXDZCYSBM-QMMMGPOBSA-N 0 0 242.300 2.129 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H]1C ZINC000049378142 343596781 /nfs/dbraw/zinc/59/67/81/343596781.db2.gz OLXBYDMXQQOKJE-ZJUUUORDSA-N 0 0 248.282 2.289 20 5 BEBDRN C[C@H](Cn1ccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000049235890 343594344 /nfs/dbraw/zinc/59/43/44/343594344.db2.gz CQHCLIHVZJVVAE-SNVBAGLBSA-N 0 0 246.270 2.292 20 5 BEBDRN C[C@H]1C[C@H](C)N(c2ccc([N+](=O)[O-])nc2)C1 ZINC000610133687 343659570 /nfs/dbraw/zinc/65/95/70/343659570.db2.gz LRGDKRLCFDENKZ-IUCAKERBSA-N 0 0 221.260 2.225 20 5 BEBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000083726644 343661245 /nfs/dbraw/zinc/66/12/45/343661245.db2.gz AHYWJOIHFQMWGW-QMMMGPOBSA-N 0 0 224.260 2.166 20 5 BEBDRN C[C@H]1CC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000334187433 343833115 /nfs/dbraw/zinc/83/31/15/343833115.db2.gz GUOVYEAAAJSWFG-WCBMZHEXSA-N 0 0 234.255 2.123 20 5 BEBDRN Cc1cc(C(=O)N[C@H]2CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000334217041 343838548 /nfs/dbraw/zinc/83/85/48/343838548.db2.gz CQWZHQIQDMAPDM-CABZTGNLSA-N 0 0 248.282 2.432 20 5 BEBDRN CC(C)[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000298455896 187352379 /nfs/dbraw/zinc/35/23/79/187352379.db2.gz UOVONIIYGYBEMB-QMMMGPOBSA-N 0 0 240.259 2.304 20 5 BEBDRN Cc1cc(C(=O)N[C@@H]2CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000334217046 343839515 /nfs/dbraw/zinc/83/95/15/343839515.db2.gz CQWZHQIQDMAPDM-JOYOIKCWSA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])c1ncccc1NC1CCCC1 ZINC000156936939 343877715 /nfs/dbraw/zinc/87/77/15/343877715.db2.gz NBEPGVUUOYBUEA-UHFFFAOYSA-N 0 0 207.233 2.344 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CC1CCCC1 ZINC000334587004 343893906 /nfs/dbraw/zinc/89/39/06/343893906.db2.gz WIVXYROARIDBOL-UHFFFAOYSA-N 0 0 236.271 2.255 20 5 BEBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCCC12CCC2 ZINC000334772202 343907052 /nfs/dbraw/zinc/90/70/52/343907052.db2.gz RQGHZKUMJRNPSF-UHFFFAOYSA-N 0 0 249.270 2.082 20 5 BEBDRN CC1(C)[C@@H]2CN(c3cccnc3[N+](=O)[O-])C[C@@H]21 ZINC000610282064 343939828 /nfs/dbraw/zinc/93/98/28/343939828.db2.gz IJJKAXHNFBWBJH-DTORHVGOSA-N 0 0 233.271 2.082 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnoc2)c1 ZINC000610229437 343934629 /nfs/dbraw/zinc/93/46/29/343934629.db2.gz BJPLBYZMRBOICH-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN C[C@H]1CN(c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000610587416 343973156 /nfs/dbraw/zinc/97/31/56/343973156.db2.gz VUHBFNWOUBITSV-DTORHVGOSA-N 0 0 221.260 2.082 20 5 BEBDRN C[C@H]1CN(c2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000610587477 343973638 /nfs/dbraw/zinc/97/36/38/343973638.db2.gz YSGKRJFRRNFVHH-DTORHVGOSA-N 0 0 221.260 2.082 20 5 BEBDRN C[C@@H]1[C@@H](C)CCN1c1ccncc1[N+](=O)[O-] ZINC000610588371 343973647 /nfs/dbraw/zinc/97/36/47/343973647.db2.gz JJMTVBZMRSXTDH-DTWKUNHWSA-N 0 0 221.260 2.225 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1C[C@H]2CCC[C@@H]2C1 ZINC000610685460 343975057 /nfs/dbraw/zinc/97/50/57/343975057.db2.gz SAABETRZPLCHEM-NXEZZACHSA-N 0 0 233.271 2.226 20 5 BEBDRN CC(C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000078728438 187280594 /nfs/dbraw/zinc/28/05/94/187280594.db2.gz OJTKDCQIXUVJBZ-UHFFFAOYSA-N 0 0 222.244 2.075 20 5 BEBDRN CC(C)(O)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000082686954 187282763 /nfs/dbraw/zinc/28/27/63/187282763.db2.gz PGFDRAOHEXLNJZ-UHFFFAOYSA-N 0 0 244.678 2.431 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCCC(F)(F)F ZINC000157392190 344084251 /nfs/dbraw/zinc/08/42/51/344084251.db2.gz IBMWSIZOWUWOFV-UHFFFAOYSA-N 0 0 235.165 2.354 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCc2ccccn2)n1 ZINC000162592755 344126672 /nfs/dbraw/zinc/12/66/72/344126672.db2.gz UUACQDKGHJQEMT-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC1(C)CC(n2cc([N+](=O)[O-])ccc2=O)C1 ZINC000601070805 344134698 /nfs/dbraw/zinc/13/46/98/344134698.db2.gz SIRVWWXYEMIUKP-UHFFFAOYSA-N 0 0 222.244 2.118 20 5 BEBDRN C[C@@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601098980 344236155 /nfs/dbraw/zinc/23/61/55/344236155.db2.gz MRYUJXLYAVHCFU-MRVPVSSYSA-N 0 0 239.250 2.365 20 5 BEBDRN Cc1nn(Cc2ccncc2C)c(C)c1[N+](=O)[O-] ZINC000600507343 344249804 /nfs/dbraw/zinc/24/98/04/344249804.db2.gz CXCDYRZJZXSJPG-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN Cc1nn(C[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1[N+](=O)[O-] ZINC000600545487 344262665 /nfs/dbraw/zinc/26/26/65/344262665.db2.gz NZGVXHDHDDTVLP-AXFHLTTASA-N 0 0 233.271 2.312 20 5 BEBDRN Cc1cc(CNc2ccccc2[N+](=O)[O-])ncn1 ZINC000611133058 344263759 /nfs/dbraw/zinc/26/37/59/344263759.db2.gz WXGGSASRBBGVKN-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN C/C=C/CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000600493889 344241561 /nfs/dbraw/zinc/24/15/61/344241561.db2.gz QBOJGKCZAXNYSR-ONEGZZNKSA-N 0 0 234.255 2.209 20 5 BEBDRN C[C@H]1CCN(c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000611227967 344332534 /nfs/dbraw/zinc/33/25/34/344332534.db2.gz KETBZMGCLJQKSY-VHSXEESVSA-N 0 0 235.287 2.472 20 5 BEBDRN O=[N+]([O-])c1sccc1NC[C@@H]1CCCO1 ZINC000067905589 344338204 /nfs/dbraw/zinc/33/82/04/344338204.db2.gz YSTRQIMPLGVDQM-ZETCQYMHSA-N 0 0 228.273 2.247 20 5 BEBDRN CC1CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000408264832 344397396 /nfs/dbraw/zinc/39/73/96/344397396.db2.gz MUZUOZWZCZMTCH-UHFFFAOYSA-N 0 0 227.651 2.099 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]2C)c1 ZINC000603267875 344472856 /nfs/dbraw/zinc/47/28/56/344472856.db2.gz WWIZABITISSOHA-VIFPVBQESA-N 0 0 234.255 2.138 20 5 BEBDRN C[C@@H](C(=O)N1CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000603266805 344472857 /nfs/dbraw/zinc/47/28/57/344472857.db2.gz NJMHICQRNSXGFE-NXEZZACHSA-N 0 0 248.282 2.319 20 5 BEBDRN CC1(C)C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000044367689 344540128 /nfs/dbraw/zinc/54/01/28/344540128.db2.gz DQWZCXRIWROCHS-QMMMGPOBSA-N 0 0 207.233 2.200 20 5 BEBDRN CO[C@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000611412370 344604480 /nfs/dbraw/zinc/60/44/80/344604480.db2.gz RRHAWHCLVWFQPT-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000408220222 344675088 /nfs/dbraw/zinc/67/50/88/344675088.db2.gz UIUYJLQVLWSGPA-QMMMGPOBSA-N 0 0 236.275 2.010 20 5 BEBDRN Cc1cc(N2CCC(F)(F)C2)ncc1[N+](=O)[O-] ZINC000611445102 344743025 /nfs/dbraw/zinc/74/30/25/344743025.db2.gz IMTNSHGEHOLWNO-UHFFFAOYSA-N 0 0 243.213 2.144 20 5 BEBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1F ZINC000611494459 344746022 /nfs/dbraw/zinc/74/60/22/344746022.db2.gz REUANBBZZZCHBR-WPRPVWTQSA-N 0 0 239.250 2.174 20 5 BEBDRN Cc1cnc(N2CC=CCC2)c([N+](=O)[O-])c1 ZINC000611509863 344746979 /nfs/dbraw/zinc/74/69/79/344746979.db2.gz CYDPNDSYVUMHJM-UHFFFAOYSA-N 0 0 219.244 2.065 20 5 BEBDRN Cc1ccc(C(=O)N2CC=CCC2)cc1[N+](=O)[O-] ZINC000611513552 344747789 /nfs/dbraw/zinc/74/77/89/344747789.db2.gz UCAGISGCLDWQRX-UHFFFAOYSA-N 0 0 246.266 2.305 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])s1)N1CC=CCC1 ZINC000611513223 344749347 /nfs/dbraw/zinc/74/93/47/344749347.db2.gz RAZONWHRZWNWER-UHFFFAOYSA-N 0 0 238.268 2.058 20 5 BEBDRN C[C@@H](O)C[C@H](C)CNc1ccc([N+](=O)[O-])cc1 ZINC000077228967 344819192 /nfs/dbraw/zinc/81/91/92/344819192.db2.gz MDRNGZKJLAPWTC-VHSXEESVSA-N 0 0 238.287 2.414 20 5 BEBDRN Cc1ccc(NC2(CO)CCC2)c([N+](=O)[O-])c1 ZINC000125448999 178757201 /nfs/dbraw/zinc/75/72/01/178757201.db2.gz JEYRYUXJSIZBFX-UHFFFAOYSA-N 0 0 236.271 2.230 20 5 BEBDRN CC(C)[C@H](C)Sc1ncc([N+](=O)[O-])c(N)n1 ZINC000078589004 344887533 /nfs/dbraw/zinc/88/75/33/344887533.db2.gz GICYYHLGZCMBMP-LURJTMIESA-N 0 0 242.304 2.104 20 5 BEBDRN CC[C@@H]1C[C@H](C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000612785719 344924056 /nfs/dbraw/zinc/92/40/56/344924056.db2.gz IKEYXPYFCUADCW-DTWKUNHWSA-N 0 0 236.275 2.010 20 5 BEBDRN Cc1ccc(N2CCOC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000080553714 345295582 /nfs/dbraw/zinc/29/55/82/345295582.db2.gz UBQSVRNUFAPNBR-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC23CC3)n1 ZINC000425272969 192087112 /nfs/dbraw/zinc/08/71/12/192087112.db2.gz MZIXCMGLTMMRNF-VIFPVBQESA-N 0 0 219.244 2.263 20 5 BEBDRN Cc1cc(N(C)C2CCC2)ncc1[N+](=O)[O-] ZINC000080605919 345341159 /nfs/dbraw/zinc/34/11/59/345341159.db2.gz NGQIXSYRNGVXBQ-UHFFFAOYSA-N 0 0 221.260 2.287 20 5 BEBDRN COC[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000091485355 345594882 /nfs/dbraw/zinc/59/48/82/345594882.db2.gz FAHCILRGFKDZNU-GFCCVEGCSA-N 0 0 236.271 2.210 20 5 BEBDRN CON(C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000091602042 345601139 /nfs/dbraw/zinc/60/11/39/345601139.db2.gz DMILNKARPYYTIF-UHFFFAOYSA-N 0 0 248.185 2.194 20 5 BEBDRN CC(C)(O)CCNc1ccccc1[N+](=O)[O-] ZINC000114484450 345675373 /nfs/dbraw/zinc/67/53/73/345675373.db2.gz MACDHTCOULDAHX-UHFFFAOYSA-N 0 0 224.260 2.168 20 5 BEBDRN C[C@H]1C[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000136091593 345818815 /nfs/dbraw/zinc/81/88/15/345818815.db2.gz GEMPSVGDSVJGRD-YUMQZZPRSA-N 0 0 207.233 2.058 20 5 BEBDRN CCn1cc(Nc2nccc(C)c2[N+](=O)[O-])cn1 ZINC000070495890 345761604 /nfs/dbraw/zinc/76/16/04/345761604.db2.gz HFUZPPWJIVJKMY-UHFFFAOYSA-N 0 0 247.258 2.258 20 5 BEBDRN Cc1noc(COc2ccc(C)cc2[N+](=O)[O-])n1 ZINC000141972807 345854514 /nfs/dbraw/zinc/85/45/14/345854514.db2.gz MYNMZWCTTDZXTK-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN C[C@@H]1C[C@H](C)CN(c2cccnc2[N+](=O)[O-])C1 ZINC000603836964 345825148 /nfs/dbraw/zinc/82/51/48/345825148.db2.gz FYYRIJBCJTYBGV-AOOOYVTPSA-N 0 0 235.287 2.472 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCCCCF)n1 ZINC000336656835 178929126 /nfs/dbraw/zinc/92/91/26/178929126.db2.gz LSECTAGVPLXPCX-UHFFFAOYSA-N 0 0 227.239 2.460 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC(C)(C)[C@@H](C)O)c1 ZINC000158790307 178929313 /nfs/dbraw/zinc/92/93/13/178929313.db2.gz GOQBBTOZSXZKGJ-SECBINFHSA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCC2(O)CCC2)c1 ZINC000339327834 178930202 /nfs/dbraw/zinc/93/02/02/178930202.db2.gz DYSURFLFPQSVGB-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC[C@@H]1CC12CC2 ZINC000418992211 192091787 /nfs/dbraw/zinc/09/17/87/192091787.db2.gz NVYWHDVXCVXSCA-QMMMGPOBSA-N 0 0 219.244 2.202 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1C ZINC000032517096 178931887 /nfs/dbraw/zinc/93/18/87/178931887.db2.gz XFJZROQNCNRVFK-WCBMZHEXSA-N 0 0 234.255 2.498 20 5 BEBDRN O=[N+]([O-])c1ncccc1Oc1cccnc1 ZINC000603840939 345923845 /nfs/dbraw/zinc/92/38/45/345923845.db2.gz QETZPDLKUWXACZ-UHFFFAOYSA-N 0 0 217.184 2.177 20 5 BEBDRN CO[C@@H](CC(C)C)Cn1cc(C)c([N+](=O)[O-])n1 ZINC000418977442 192093434 /nfs/dbraw/zinc/09/34/34/192093434.db2.gz WXUYEDOMLKNMAG-JTQLQIEISA-N 0 0 241.291 2.161 20 5 BEBDRN Cc1cnc(CNCc2ccccc2[N+](=O)[O-])o1 ZINC000235957154 346174927 /nfs/dbraw/zinc/17/49/27/346174927.db2.gz UMCVAHYITVKJFL-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN C[C@@H]1C[C@@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401097081 346175655 /nfs/dbraw/zinc/17/56/55/346175655.db2.gz LPMAXBBULRHEKQ-RNFRBKRXSA-N 0 0 225.223 2.197 20 5 BEBDRN CCCC(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000034147465 346209115 /nfs/dbraw/zinc/20/91/15/346209115.db2.gz GEDASJHDXVAVLN-UHFFFAOYSA-N 0 0 248.242 2.210 20 5 BEBDRN Cc1cccc(C(=O)N(C)C(C)C)c1[N+](=O)[O-] ZINC000097077002 179004664 /nfs/dbraw/zinc/00/46/64/179004664.db2.gz WQLVOFOONAWREX-UHFFFAOYSA-N 0 0 236.271 2.384 20 5 BEBDRN CCC(CC)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264143386 346253646 /nfs/dbraw/zinc/25/36/46/346253646.db2.gz GNCMAHLAAKAKGP-UHFFFAOYSA-N 0 0 239.275 2.089 20 5 BEBDRN Cc1cccc(C(=O)NCC2CCC2)c1[N+](=O)[O-] ZINC000026142966 179016078 /nfs/dbraw/zinc/01/60/78/179016078.db2.gz KCPDSZMOIYRRKY-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN CCCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000036136619 168551188 /nfs/dbraw/zinc/55/11/88/168551188.db2.gz XRRJYAVBGQWYQJ-UHFFFAOYSA-N 0 0 236.271 2.054 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N[C@H]1CCSC1 ZINC000401180562 346397442 /nfs/dbraw/zinc/39/74/42/346397442.db2.gz FEEUHDBMPVIPDW-ZETCQYMHSA-N 0 0 243.263 2.046 20 5 BEBDRN O=[N+]([O-])c1ccc(S[C@@H]2CCOC2)cc1 ZINC000336487045 187368410 /nfs/dbraw/zinc/36/84/10/187368410.db2.gz CSEKDSKHFYAHBI-SNVBAGLBSA-N 0 0 225.269 2.476 20 5 BEBDRN O=[N+]([O-])c1ccc(S[C@H]2CCOC2)cc1 ZINC000336487044 187368444 /nfs/dbraw/zinc/36/84/44/187368444.db2.gz CSEKDSKHFYAHBI-JTQLQIEISA-N 0 0 225.269 2.476 20 5 BEBDRN C[C@H]1CCN1c1c(F)cccc1[N+](=O)[O-] ZINC000587465755 346506890 /nfs/dbraw/zinc/50/68/90/346506890.db2.gz HKSLNHFAXWSEPC-ZETCQYMHSA-N 0 0 210.208 2.333 20 5 BEBDRN O=C(Nc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000007069626 346534503 /nfs/dbraw/zinc/53/45/03/346534503.db2.gz WCAWELTVANCYIT-UHFFFAOYSA-N 0 0 231.211 2.175 20 5 BEBDRN Cc1cccc(N(C)Cc2ncc[nH]2)c1[N+](=O)[O-] ZINC000338670419 179117721 /nfs/dbraw/zinc/11/77/21/179117721.db2.gz GPVICDPQMIOCBW-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN CSc1cccc(C(=O)N(C)C)c1[N+](=O)[O-] ZINC000188022528 346696205 /nfs/dbraw/zinc/69/62/05/346696205.db2.gz CQDOXYOGVAUNQM-UHFFFAOYSA-N 0 0 240.284 2.019 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC(C3CC3)C2)n1 ZINC000589695467 346727477 /nfs/dbraw/zinc/72/74/77/346727477.db2.gz LFFUYAUGYJFQJV-UHFFFAOYSA-N 0 0 247.298 2.453 20 5 BEBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CC(C2CC2)C1 ZINC000589725849 346733859 /nfs/dbraw/zinc/73/38/59/346733859.db2.gz ZQONRMPBKCOXDS-UHFFFAOYSA-N 0 0 246.266 2.077 20 5 BEBDRN Cc1cccc(OCc2nccn2C)c1[N+](=O)[O-] ZINC000123945504 179172734 /nfs/dbraw/zinc/17/27/34/179172734.db2.gz CJXGVHNFCCCWGS-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN CC[C@@H](C)CN(C)c1ccc(N)c([N+](=O)[O-])n1 ZINC000310477334 347288750 /nfs/dbraw/zinc/28/87/50/347288750.db2.gz CWSLFSVWFDTPBW-MRVPVSSYSA-N 0 0 238.291 2.054 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC2(CC2)C1 ZINC000334531479 179206434 /nfs/dbraw/zinc/20/64/34/179206434.db2.gz HPUYAWGRPNKMCD-UHFFFAOYSA-N 0 0 246.266 2.139 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H](F)C2)s1 ZINC000590714199 347499545 /nfs/dbraw/zinc/49/95/45/347499545.db2.gz XRGWHJXLJWEYPQ-LURJTMIESA-N 0 0 216.237 2.205 20 5 BEBDRN Cc1nc(N2CCC[C@@H]2CF)ccc1[N+](=O)[O-] ZINC000292691372 347514517 /nfs/dbraw/zinc/51/45/17/347514517.db2.gz FNFOQTZREOKSNG-SECBINFHSA-N 0 0 239.250 2.237 20 5 BEBDRN O=[N+]([O-])c1cnccc1NCCC(F)(F)F ZINC000063100644 347515980 /nfs/dbraw/zinc/51/59/80/347515980.db2.gz AMOCNNYXTVWKSB-UHFFFAOYSA-N 0 0 235.165 2.354 20 5 BEBDRN C[C@@H]1C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000590778868 347534807 /nfs/dbraw/zinc/53/48/07/347534807.db2.gz ZSAFUORKUARJII-RITPCOANSA-N 0 0 235.199 2.361 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H](O)C2CCC2)s1 ZINC000590736933 347501424 /nfs/dbraw/zinc/50/14/24/347501424.db2.gz WJVVZXSKFZYMQK-QMMMGPOBSA-N 0 0 242.300 2.229 20 5 BEBDRN O=[N+]([O-])c1ccsc1NC[C@@H](O)C1CCC1 ZINC000590737257 347501519 /nfs/dbraw/zinc/50/15/19/347501519.db2.gz UGIYGRKDBONLRK-SECBINFHSA-N 0 0 242.300 2.229 20 5 BEBDRN Cc1nn([C@H]2CCCCCC2=O)cc1[N+](=O)[O-] ZINC000590739180 347502269 /nfs/dbraw/zinc/50/22/69/347502269.db2.gz VCASULRCIKYKHH-VIFPVBQESA-N 0 0 237.259 2.174 20 5 BEBDRN COCC[C@@H](C)CNc1cccnc1[N+](=O)[O-] ZINC000591186432 347631181 /nfs/dbraw/zinc/63/11/81/347631181.db2.gz JSAOQFTUEASMFQ-SECBINFHSA-N 0 0 239.275 2.074 20 5 BEBDRN C[C@@H]1[C@H](C)CN(c2ncccc2[N+](=O)[O-])[C@H]1C ZINC000591369023 347654827 /nfs/dbraw/zinc/65/48/27/347654827.db2.gz LZEWBWKCRKYAOP-BBBLOLIVSA-N 0 0 235.287 2.471 20 5 BEBDRN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC1 ZINC000334537735 133693262 /nfs/dbraw/zinc/69/32/62/133693262.db2.gz DWGKEKJXKQIIAS-UHFFFAOYSA-N 0 0 240.646 2.094 20 5 BEBDRN Cc1nn(CC2=CCCC2)cc1[N+](=O)[O-] ZINC000592353259 347766735 /nfs/dbraw/zinc/76/67/35/347766735.db2.gz SURMPSYXCMJLOK-UHFFFAOYSA-N 0 0 207.233 2.210 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CC1=CCCC1 ZINC000592350257 347766860 /nfs/dbraw/zinc/76/68/60/347766860.db2.gz FIXUYWVMQKBWAG-UHFFFAOYSA-N 0 0 234.255 2.175 20 5 BEBDRN CC(C)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000592349886 347767003 /nfs/dbraw/zinc/76/70/03/347767003.db2.gz JTEDYYMRNDDVQE-UHFFFAOYSA-N 0 0 236.227 2.159 20 5 BEBDRN O=c1oc2cccc([N+](=O)[O-])c2n1CC1CCC1 ZINC000592348037 347769971 /nfs/dbraw/zinc/76/99/71/347769971.db2.gz DKDFVFKIBCCEFM-UHFFFAOYSA-N 0 0 248.238 2.303 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn(CC2=CCCC2)c1=O ZINC000592347651 347770019 /nfs/dbraw/zinc/77/00/19/347770019.db2.gz OXARVIMHPPENNP-UHFFFAOYSA-N 0 0 234.255 2.175 20 5 BEBDRN CN(CCC(C)(C)C)c1ncc([N+](=O)[O-])cn1 ZINC000591971239 347722849 /nfs/dbraw/zinc/72/28/49/347722849.db2.gz XBTCMQUVZSAHKI-UHFFFAOYSA-N 0 0 238.291 2.257 20 5 BEBDRN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1C ZINC000592826623 347818955 /nfs/dbraw/zinc/81/89/55/347818955.db2.gz DTNNENQZKBCWKM-CBAPKCEASA-N 0 0 249.270 2.231 20 5 BEBDRN O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC12CCCC2 ZINC000593242932 347874205 /nfs/dbraw/zinc/87/42/05/347874205.db2.gz SNMZMGXSCQPHEX-UHFFFAOYSA-N 0 0 249.270 2.082 20 5 BEBDRN COC[C@@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000308575674 347874285 /nfs/dbraw/zinc/87/42/85/347874285.db2.gz DHPKXHAPPHPWBN-ZCFIWIBFSA-N 0 0 216.262 2.103 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H](CO)CCF ZINC000593509371 347901717 /nfs/dbraw/zinc/90/17/17/347901717.db2.gz NXCBYINJZJAWFL-VIFPVBQESA-N 0 0 242.250 2.036 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCCC(F)(F)C2)cn1 ZINC000593487388 347905161 /nfs/dbraw/zinc/90/51/61/347905161.db2.gz VLECTIPYMMMENA-UHFFFAOYSA-N 0 0 243.213 2.225 20 5 BEBDRN CC(C)[C@@H](C)Oc1cccnc1[N+](=O)[O-] ZINC000594882614 348119957 /nfs/dbraw/zinc/11/99/57/348119957.db2.gz YDCMECVZEUVQHM-MRVPVSSYSA-N 0 0 210.233 2.413 20 5 BEBDRN CC[C@@H](CC(F)F)Cn1nccc1[N+](=O)[O-] ZINC000594886453 348121458 /nfs/dbraw/zinc/12/14/58/348121458.db2.gz RGECGGCIXMFYFC-ZETCQYMHSA-N 0 0 233.218 2.473 20 5 BEBDRN CC(C)=CCCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000594889262 348122808 /nfs/dbraw/zinc/12/28/08/348122808.db2.gz GFSITIYHLBSHRA-UHFFFAOYSA-N 0 0 222.244 2.113 20 5 BEBDRN CC(=O)[C@@H](C)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000594899370 348132246 /nfs/dbraw/zinc/13/22/46/348132246.db2.gz FGYJKYGVCCZGLE-ZETCQYMHSA-N 0 0 239.275 2.023 20 5 BEBDRN Cc1nn([C@H]2COC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000594901682 348133604 /nfs/dbraw/zinc/13/36/04/348133604.db2.gz LIISVDLHNJLCRQ-SECBINFHSA-N 0 0 239.275 2.148 20 5 BEBDRN Cc1noc(CN2CCC(C)CC2)c1[N+](=O)[O-] ZINC000595291989 348213966 /nfs/dbraw/zinc/21/39/66/348213966.db2.gz NTGUWZGNQKUJEN-UHFFFAOYSA-N 0 0 239.275 2.123 20 5 BEBDRN Cc1noc(CN(C)CCC(C)C)c1[N+](=O)[O-] ZINC000595293358 348215387 /nfs/dbraw/zinc/21/53/87/348215387.db2.gz LOJDTLLRQZTPJW-UHFFFAOYSA-N 0 0 241.291 2.369 20 5 BEBDRN CCCN(Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595304541 348221488 /nfs/dbraw/zinc/22/14/88/348221488.db2.gz VWVUUYBXOMPIQI-UHFFFAOYSA-N 0 0 239.275 2.266 20 5 BEBDRN CCN(Cc1onc(C)c1[N+](=O)[O-])C1CCC1 ZINC000595319424 348225717 /nfs/dbraw/zinc/22/57/17/348225717.db2.gz AVWWLIRVEZSVRF-UHFFFAOYSA-N 0 0 239.275 2.266 20 5 BEBDRN CC12CC(C1)C[N@@H+]2Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000595919590 348401163 /nfs/dbraw/zinc/40/11/63/348401163.db2.gz KIUDYWSBWSCOFB-UHFFFAOYSA-N 0 0 248.282 2.285 20 5 BEBDRN COCCCNc1cc(C)sc1[N+](=O)[O-] ZINC000596051936 348433499 /nfs/dbraw/zinc/43/34/99/348433499.db2.gz TVHNEYQKTTVBJB-UHFFFAOYSA-N 0 0 230.289 2.413 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2Cc3c[nH]nc3C2)c1 ZINC000596240541 348483986 /nfs/dbraw/zinc/48/39/86/348483986.db2.gz ZJPQMECHDYAHBY-UHFFFAOYSA-N 0 0 244.254 2.147 20 5 BEBDRN C[C@@H]1CN(c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000596246766 348486427 /nfs/dbraw/zinc/48/64/27/348486427.db2.gz GDULHVVJRMQRJY-RKDXNWHRSA-N 0 0 206.245 2.439 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)[C@H]2C)n1 ZINC000596246005 348486548 /nfs/dbraw/zinc/48/65/48/348486548.db2.gz CXHLNTHEAGYECB-WCBMZHEXSA-N 0 0 235.287 2.451 20 5 BEBDRN Cc1ccnc(N2C[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000596247342 348486846 /nfs/dbraw/zinc/48/68/46/348486846.db2.gz KBLHNNVDBZLMIT-IUCAKERBSA-N 0 0 221.260 2.143 20 5 BEBDRN Cc1cc(N2C[C@@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000596247365 348486892 /nfs/dbraw/zinc/48/68/92/348486892.db2.gz KHWKCTPQLJDBGP-RKDXNWHRSA-N 0 0 221.260 2.143 20 5 BEBDRN Cc1cc(N[C@H](CO)CCF)c([N+](=O)[O-])s1 ZINC000596293366 348489457 /nfs/dbraw/zinc/48/94/57/348489457.db2.gz CCSPACVTMSMKEI-ZETCQYMHSA-N 0 0 248.279 2.097 20 5 BEBDRN Cc1ccnc(Oc2cccnc2)c1[N+](=O)[O-] ZINC000301309247 179464070 /nfs/dbraw/zinc/46/40/70/179464070.db2.gz XIMHHWBZKBIVCI-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN CC(C)[C@H](C)CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596135522 348447630 /nfs/dbraw/zinc/44/76/30/348447630.db2.gz VQSQJBQHLGNSBG-MRVPVSSYSA-N 0 0 239.275 2.399 20 5 BEBDRN Cc1cc(NC[C@H](C)CCO)c([N+](=O)[O-])s1 ZINC000596142793 348450078 /nfs/dbraw/zinc/45/00/78/348450078.db2.gz NJYJWVPTTQRWKP-SSDOTTSWSA-N 0 0 244.316 2.395 20 5 BEBDRN Cc1cc(NCC2(CO)CC2)c([N+](=O)[O-])s1 ZINC000596148356 348452427 /nfs/dbraw/zinc/45/24/27/348452427.db2.gz FAGVKHNOJUQCSM-UHFFFAOYSA-N 0 0 242.300 2.149 20 5 BEBDRN CC[C@H](CO)Nc1cc(C)sc1[N+](=O)[O-] ZINC000596183759 348455871 /nfs/dbraw/zinc/45/58/71/348455871.db2.gz AFWLQEABXNEIER-SSDOTTSWSA-N 0 0 230.289 2.148 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1N1CCCCO1 ZINC000596203609 348465225 /nfs/dbraw/zinc/46/52/25/348465225.db2.gz IMKVINNZCLQOBX-UHFFFAOYSA-N 0 0 243.650 2.175 20 5 BEBDRN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000596247647 348472032 /nfs/dbraw/zinc/47/20/32/348472032.db2.gz KLYJWYXYQSXQMB-RNFRBKRXSA-N 0 0 241.678 2.488 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]1C(F)F ZINC000596248408 348472428 /nfs/dbraw/zinc/47/24/28/348472428.db2.gz MSUHWDLIVQWKDQ-QMMMGPOBSA-N 0 0 243.213 2.142 20 5 BEBDRN CCC1(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596249783 348473117 /nfs/dbraw/zinc/47/31/17/348473117.db2.gz SWOLEMHWGRPWBQ-UHFFFAOYSA-N 0 0 249.270 2.048 20 5 BEBDRN Cc1nc(N2CC[C@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000596249469 348473185 /nfs/dbraw/zinc/47/31/85/348473185.db2.gz QAYQPYXLBRRPIN-QMMMGPOBSA-N 0 0 243.213 2.142 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)[C@@H]1C ZINC000596250929 348473814 /nfs/dbraw/zinc/47/38/14/348473814.db2.gz WGPUJGVWKQKYNV-IUCAKERBSA-N 0 0 221.260 2.143 20 5 BEBDRN CC[C@H](C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000596415345 348539638 /nfs/dbraw/zinc/53/96/38/348539638.db2.gz IYZROUOJUSAMEG-VIFPVBQESA-N 0 0 223.276 2.260 20 5 BEBDRN CC[C@H](C)CCNc1ccncc1[N+](=O)[O-] ZINC000596415477 348539653 /nfs/dbraw/zinc/53/96/53/348539653.db2.gz JULPUCZIABORGT-VIFPVBQESA-N 0 0 223.276 2.260 20 5 BEBDRN Cc1cn(CC2CC=CC2)nc1[N+](=O)[O-] ZINC000596279148 348495736 /nfs/dbraw/zinc/49/57/36/348495736.db2.gz PYOKRKPGTNLYNZ-UHFFFAOYSA-N 0 0 207.233 2.066 20 5 BEBDRN CSCCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000596312117 348504680 /nfs/dbraw/zinc/50/46/80/348504680.db2.gz TYKRAKZECMJGNR-UHFFFAOYSA-N 0 0 245.279 2.091 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@]12C[C@H]1CCC2 ZINC000596317677 348505808 /nfs/dbraw/zinc/50/58/08/348505808.db2.gz SPFXXHYCHSYLJN-LDYMZIIASA-N 0 0 219.244 2.344 20 5 BEBDRN CN(C[C@H]1CC1(C)C)c1ccc([N+](=O)[O-])cn1 ZINC000596568876 348581328 /nfs/dbraw/zinc/58/13/28/348581328.db2.gz XYXMNHADOONIFL-SECBINFHSA-N 0 0 235.287 2.472 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NCCOCCF ZINC000596569518 348581436 /nfs/dbraw/zinc/58/14/36/348581436.db2.gz KNVFCQAKMAMXOY-UHFFFAOYSA-N 0 0 246.213 2.132 20 5 BEBDRN CO[C@@]1(C)C[C@H]1Nc1cc(C)ccc1[N+](=O)[O-] ZINC000596539403 348582517 /nfs/dbraw/zinc/58/25/17/348582517.db2.gz KJENRZYQJZQKTH-NEPJUHHUSA-N 0 0 236.271 2.493 20 5 BEBDRN CO[C@@]1(C)C[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000596538251 348582581 /nfs/dbraw/zinc/58/25/81/348582581.db2.gz BGJLGQKSEQJMCG-MNOVXSKESA-N 0 0 240.234 2.323 20 5 BEBDRN CO[C@@]1(C)C[C@H]1Nc1cccc(C)c1[N+](=O)[O-] ZINC000596541032 348582975 /nfs/dbraw/zinc/58/29/75/348582975.db2.gz XCTLTNBRQNKHBU-PWSUYJOCSA-N 0 0 236.271 2.493 20 5 BEBDRN CO[C@@]1(C)C[C@H]1Nc1sccc1[N+](=O)[O-] ZINC000596541054 348583135 /nfs/dbraw/zinc/58/31/35/348583135.db2.gz XXEUPXOVIBXGHE-APPZFPTMSA-N 0 0 228.273 2.246 20 5 BEBDRN Cc1cn(CCc2ccccc2F)nc1[N+](=O)[O-] ZINC000282312422 179559014 /nfs/dbraw/zinc/55/90/14/179559014.db2.gz SOAZPFXISVUCTJ-UHFFFAOYSA-N 0 0 249.245 2.482 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@@H]3C[C@@H]32)nc1 ZINC000596472925 348553190 /nfs/dbraw/zinc/55/31/90/348553190.db2.gz GHHDHBJSLGVEEZ-SCVCMEIPSA-N 0 0 247.298 2.260 20 5 BEBDRN CC(C)(F)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596468960 348562774 /nfs/dbraw/zinc/56/27/74/348562774.db2.gz QIPJJOCSSPGREC-UHFFFAOYSA-N 0 0 243.238 2.246 20 5 BEBDRN Cc1nn(C)c(NCC2=CCCC2)c1[N+](=O)[O-] ZINC000596523294 348563954 /nfs/dbraw/zinc/56/39/54/348563954.db2.gz YXXOLTCMTCPRGB-UHFFFAOYSA-N 0 0 236.275 2.159 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCCc2ccco2)nc1 ZINC000596534127 348570249 /nfs/dbraw/zinc/57/02/49/348570249.db2.gz XDSUEPSBQFPNNB-UHFFFAOYSA-N 0 0 247.254 2.049 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H](O)C23CCC3)cc1 ZINC000596512174 348573653 /nfs/dbraw/zinc/57/36/53/348573653.db2.gz RJGYFELJCSNRCT-NEPJUHHUSA-N 0 0 248.282 2.310 20 5 BEBDRN O=C(NCC1=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000598379009 348951942 /nfs/dbraw/zinc/95/19/42/348951942.db2.gz MVTVBRFJLQTNIZ-UHFFFAOYSA-N 0 0 246.266 2.435 20 5 BEBDRN CC1(C)C[C@]1(C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000598384950 348954123 /nfs/dbraw/zinc/95/41/23/348954123.db2.gz GWESPNILGNDMBI-NSHDSACASA-N 0 0 238.243 2.106 20 5 BEBDRN CC1CC(CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598778799 349041495 /nfs/dbraw/zinc/04/14/95/349041495.db2.gz XIJUCDKICCGDGD-UHFFFAOYSA-N 0 0 248.282 2.371 20 5 BEBDRN CC1CC(CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000598778548 349041631 /nfs/dbraw/zinc/04/16/31/349041631.db2.gz UGCLBVMLTUSGNV-UHFFFAOYSA-N 0 0 248.282 2.371 20 5 BEBDRN CC1CC(CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000598778833 349042303 /nfs/dbraw/zinc/04/23/03/349042303.db2.gz YSOKVZOIAGALAG-UHFFFAOYSA-N 0 0 248.282 2.371 20 5 BEBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)C12CC(C1)C2 ZINC000599119293 349100542 /nfs/dbraw/zinc/10/05/42/349100542.db2.gz PKHQDFYGTFDLSD-UHFFFAOYSA-N 0 0 246.266 2.011 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2COC2)c(Cl)c1 ZINC000599175490 349113260 /nfs/dbraw/zinc/11/32/60/349113260.db2.gz LZEJWKXQGCCDLR-UHFFFAOYSA-N 0 0 242.662 2.307 20 5 BEBDRN CO[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000599189433 349114465 /nfs/dbraw/zinc/11/44/65/349114465.db2.gz FETUAMQXZDXQJC-KYZUINATSA-N 0 0 222.244 2.184 20 5 BEBDRN CO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000599190308 349114502 /nfs/dbraw/zinc/11/45/02/349114502.db2.gz WQCLIXMKWRHGCJ-HOMQSWHASA-N 0 0 222.244 2.184 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCCC23CC3)nc1 ZINC000599207657 349119380 /nfs/dbraw/zinc/11/93/80/349119380.db2.gz YTNIJQGDNJUNBO-SNVBAGLBSA-N 0 0 247.298 2.404 20 5 BEBDRN C[C@H](CO)Sc1c(Cl)cncc1[N+](=O)[O-] ZINC000308938899 349169953 /nfs/dbraw/zinc/16/99/53/349169953.db2.gz DNNZISRUOAQSKI-RXMQYKEDSA-N 0 0 248.691 2.116 20 5 BEBDRN C[C@@H](O)CCCNc1ccc([N+](=O)[O-])s1 ZINC000309048435 349403054 /nfs/dbraw/zinc/40/30/54/349403054.db2.gz PNUDLMQWRDYYQL-SSDOTTSWSA-N 0 0 230.289 2.229 20 5 BEBDRN C[C@H](C[C@H](C)O)Nc1ccsc1[N+](=O)[O-] ZINC000309034770 349369902 /nfs/dbraw/zinc/36/99/02/349369902.db2.gz HKQMYRZKMUUVSJ-RQJHMYQMSA-N 0 0 230.289 2.228 20 5 BEBDRN Cc1nc(NC(=O)C[C@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000362013041 180009005 /nfs/dbraw/zinc/00/90/05/180009005.db2.gz MHNFKHDQHYIBRJ-VXNVDRBHSA-N 0 0 249.270 2.283 20 5 BEBDRN CC[C@@H](CCO)Nc1ccc([N+](=O)[O-])s1 ZINC000309168674 350114261 /nfs/dbraw/zinc/11/42/61/350114261.db2.gz KGBTVRJIEUURKG-ZETCQYMHSA-N 0 0 230.289 2.229 20 5 BEBDRN O=[N+]([O-])c1ccccc1Oc1ncccn1 ZINC000007466399 350238338 /nfs/dbraw/zinc/23/83/38/350238338.db2.gz HJYJSLFODREPTB-UHFFFAOYSA-N 0 0 217.184 2.177 20 5 BEBDRN CC(C)[C@H](CO)CNc1ccc([N+](=O)[O-])s1 ZINC000309421879 350374860 /nfs/dbraw/zinc/37/48/60/350374860.db2.gz ZVLRWUMFIRYHIP-QMMMGPOBSA-N 0 0 244.316 2.333 20 5 BEBDRN O=[N+]([O-])c1ccn(-c2nc3ccccc3s2)n1 ZINC000050931390 350412542 /nfs/dbraw/zinc/41/25/42/350412542.db2.gz UNXOVSZETHQRGT-UHFFFAOYSA-N 0 0 246.251 2.390 20 5 BEBDRN Cc1nn(C)c(NCCC2CCC2)c1[N+](=O)[O-] ZINC000122970479 180359014 /nfs/dbraw/zinc/35/90/14/180359014.db2.gz OYBKCDKFIJQSGN-UHFFFAOYSA-N 0 0 238.291 2.239 20 5 BEBDRN Cc1nn(C)c(N[C@H]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000133338133 180360681 /nfs/dbraw/zinc/36/06/81/180360681.db2.gz FXRKFVQPUGFRNT-APPZFPTMSA-N 0 0 238.291 2.237 20 5 BEBDRN Cc1nn(CCCOC(C)C)c(C)c1[N+](=O)[O-] ZINC000125641398 180387873 /nfs/dbraw/zinc/38/78/73/180387873.db2.gz SXXFWIIXVZRNCB-UHFFFAOYSA-N 0 0 241.291 2.223 20 5 BEBDRN CC1(C)[C@H](O)C[C@H]1Nc1ccsc1[N+](=O)[O-] ZINC000309501233 350615148 /nfs/dbraw/zinc/61/51/48/350615148.db2.gz UZCUGYFZNBIHIM-HTQZYQBOSA-N 0 0 242.300 2.228 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1N[C@H]1CCC[C@@H]1O ZINC000302667350 191120187 /nfs/dbraw/zinc/12/01/87/191120187.db2.gz MTZJKXDXSRQIKC-WPRPVWTQSA-N 0 0 240.234 2.059 20 5 BEBDRN CSCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000086002539 350852696 /nfs/dbraw/zinc/85/26/96/350852696.db2.gz QOLBFDOOTLRRIN-UHFFFAOYSA-N 0 0 227.289 2.073 20 5 BEBDRN C/C=C\C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000351546821 350910302 /nfs/dbraw/zinc/91/03/02/350910302.db2.gz WCDHJVGEMKEJKT-QUCGXOGASA-N 0 0 236.271 2.334 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1CC[C@@H](C2CC2)C1 ZINC000343422724 350967817 /nfs/dbraw/zinc/96/78/17/350967817.db2.gz GCXFEGQJUYPAQM-SNVBAGLBSA-N 0 0 233.271 2.226 20 5 BEBDRN C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)CS1 ZINC000397868371 350978916 /nfs/dbraw/zinc/97/89/16/350978916.db2.gz ILIICRPLRQVJKT-WDSKDSINSA-N 0 0 245.329 2.357 20 5 BEBDRN Cc1ccnc(N[C@H]2C[C@H]2C(F)F)c1[N+](=O)[O-] ZINC000343782189 350995923 /nfs/dbraw/zinc/99/59/23/350995923.db2.gz NPRXLPSZXAADDZ-RQJHMYQMSA-N 0 0 243.213 2.364 20 5 BEBDRN CCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344189851 351016981 /nfs/dbraw/zinc/01/69/81/351016981.db2.gz OUQFDKVNDBEPHV-UHFFFAOYSA-N 0 0 240.234 2.264 20 5 BEBDRN CN(CC1CCC1)c1ccc([N+](=O)[O-])nc1 ZINC000344427553 351126769 /nfs/dbraw/zinc/12/67/69/351126769.db2.gz FSSVVMADBDDJQT-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN CC(C)CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000034848584 351300625 /nfs/dbraw/zinc/30/06/25/351300625.db2.gz NQWRZTMIRWZVPP-SREVYHEPSA-N 0 0 248.282 2.380 20 5 BEBDRN CC(C)[C@@H]1CCN1c1ncc([N+](=O)[O-])s1 ZINC000577823913 366071454 /nfs/dbraw/zinc/07/14/54/366071454.db2.gz CVDRFAWALMBJHV-ZETCQYMHSA-N 0 0 227.289 2.286 20 5 BEBDRN Cn1cc(NCc2csc([N+](=O)[O-])c2)cn1 ZINC000037472362 180661261 /nfs/dbraw/zinc/66/12/61/180661261.db2.gz BLALTRYDPUZKRK-UHFFFAOYSA-N 0 0 238.272 2.002 20 5 BEBDRN CC(C)C[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000040454552 187601326 /nfs/dbraw/zinc/60/13/26/187601326.db2.gz NDKURUJEPQXOSX-QMMMGPOBSA-N 0 0 224.264 2.231 20 5 BEBDRN Cn1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000336500371 180687001 /nfs/dbraw/zinc/68/70/01/180687001.db2.gz BLKUOFQZXCROII-UHFFFAOYSA-N 0 0 245.238 2.186 20 5 BEBDRN Cc1ccc(OCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000300835421 187656548 /nfs/dbraw/zinc/65/65/48/187656548.db2.gz DEOVJFCXSQAFNZ-VIFPVBQESA-N 0 0 225.244 2.053 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N1CCCCCCC1 ZINC000008317764 352662012 /nfs/dbraw/zinc/66/20/12/352662012.db2.gz MJVQVGZAUKVOTP-UHFFFAOYSA-N 0 0 238.291 2.099 20 5 BEBDRN CNc1ccc([N+](=O)[O-])cc1NC(=O)C1CCC1 ZINC000577852884 366085211 /nfs/dbraw/zinc/08/52/11/366085211.db2.gz NYTBOZLTZLLUKP-UHFFFAOYSA-N 0 0 249.270 2.375 20 5 BEBDRN Cc1ccc(OCCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000310501244 188002354 /nfs/dbraw/zinc/00/23/54/188002354.db2.gz JIVBBGQSMHQLGM-SNVBAGLBSA-N 0 0 239.271 2.443 20 5 BEBDRN CC(C)[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000020362903 188005717 /nfs/dbraw/zinc/00/57/17/188005717.db2.gz TWILQJCIJMAAJH-QMMMGPOBSA-N 0 0 209.249 2.446 20 5 BEBDRN CC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000267338935 188022582 /nfs/dbraw/zinc/02/25/82/188022582.db2.gz JHTSHTZPGKCKLF-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN CC(C)=CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000276653225 188029169 /nfs/dbraw/zinc/02/91/69/188029169.db2.gz UNIVUWZBYHDWMQ-UHFFFAOYSA-N 0 0 238.243 2.274 20 5 BEBDRN CC(C)=CCn1cc([N+](=O)[O-])cc(C)c1=O ZINC000283782121 188033385 /nfs/dbraw/zinc/03/33/85/188033385.db2.gz DJSXIMSCSQUZBE-UHFFFAOYSA-N 0 0 222.244 2.031 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCCOC2)s1 ZINC000048999853 353162807 /nfs/dbraw/zinc/16/28/07/353162807.db2.gz BCSXOTUSKKYPNV-MRVPVSSYSA-N 0 0 242.300 2.495 20 5 BEBDRN CC(C)CSCc1c([N+](=O)[O-])ncn1C ZINC000356590059 188238462 /nfs/dbraw/zinc/23/84/62/188238462.db2.gz HOMDIWMURNPBKH-UHFFFAOYSA-N 0 0 229.305 2.218 20 5 BEBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1CCCC1 ZINC000360843464 188243135 /nfs/dbraw/zinc/24/31/35/188243135.db2.gz XNHWXGCNESJSSG-UHFFFAOYSA-N 0 0 234.255 2.398 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CCCO1 ZINC000037420763 188287209 /nfs/dbraw/zinc/28/72/09/188287209.db2.gz SNIWPEZHVWLQRN-QMMMGPOBSA-N 0 0 240.234 2.325 20 5 BEBDRN O=[N+]([O-])c1ncccc1O[C@@H]1C=CCCC1 ZINC000076609588 188309569 /nfs/dbraw/zinc/30/95/69/188309569.db2.gz AQGBFUSUIHIFQW-SECBINFHSA-N 0 0 220.228 2.477 20 5 BEBDRN CC(C)COc1cc(C=O)ccc1[N+](=O)[O-] ZINC000050517414 188328068 /nfs/dbraw/zinc/32/80/68/188328068.db2.gz DPHNLFAZLQGVSA-UHFFFAOYSA-N 0 0 223.228 2.442 20 5 BEBDRN Cc1c(COc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000158458123 188333344 /nfs/dbraw/zinc/33/33/44/188333344.db2.gz UTYBXUZRTDVYBT-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1CC1 ZINC000184787123 188346374 /nfs/dbraw/zinc/34/63/74/188346374.db2.gz VQKRSNZXXLYBKK-CMDGGOBGSA-N 0 0 246.266 2.277 20 5 BEBDRN C[C@@H]1OCC[C@H]1Sc1ncccc1[N+](=O)[O-] ZINC000269886146 188374881 /nfs/dbraw/zinc/37/48/81/188374881.db2.gz BDLNKSRJALCVLP-IONNQARKSA-N 0 0 240.284 2.259 20 5 BEBDRN C[C@@](CO)(Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000091486032 353408397 /nfs/dbraw/zinc/40/83/97/353408397.db2.gz AFLGPNFRMJUBFI-LBPRGKRZSA-N 0 0 236.271 2.168 20 5 BEBDRN CC(C)(O)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000292779508 188391037 /nfs/dbraw/zinc/39/10/37/188391037.db2.gz YHBNOHSBUPGLFW-UHFFFAOYSA-N 0 0 245.662 2.398 20 5 BEBDRN CC(C)[C@@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000273670412 188378733 /nfs/dbraw/zinc/37/87/33/188378733.db2.gz XNBJZSHBILHBOU-JTQLQIEISA-N 0 0 236.275 2.010 20 5 BEBDRN CC[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000294131160 188392720 /nfs/dbraw/zinc/39/27/20/188392720.db2.gz UBJDLMDPVRTBNH-JTQLQIEISA-N 0 0 234.255 2.219 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1CCC1 ZINC000192610756 353560158 /nfs/dbraw/zinc/56/01/58/353560158.db2.gz OWEQMQTXKFUTEZ-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN Cc1cccc(O[C@H](C)[C@@H](C)O)c1[N+](=O)[O-] ZINC000087138641 353696407 /nfs/dbraw/zinc/69/64/07/353696407.db2.gz GLKGBBKKOKHGRA-RKDXNWHRSA-N 0 0 225.244 2.051 20 5 BEBDRN CC(C)[C@H](O)CSc1ncccc1[N+](=O)[O-] ZINC000412989167 191331233 /nfs/dbraw/zinc/33/12/33/191331233.db2.gz FNIVPPPUDSVGLQ-SECBINFHSA-N 0 0 242.300 2.099 20 5 BEBDRN CC1(C)CCC[C@H](n2cc([N+](=O)[O-])cn2)C1=O ZINC000412989611 191331431 /nfs/dbraw/zinc/33/14/31/191331431.db2.gz NHAGWCURKDAPHL-VIFPVBQESA-N 0 0 237.259 2.112 20 5 BEBDRN Cc1c(C(=O)NC[C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000032394075 355223765 /nfs/dbraw/zinc/22/37/65/355223765.db2.gz WXPYBOIUYSTFRE-PSASIEDQSA-N 0 0 248.282 2.289 20 5 BEBDRN CSC[C@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413155944 191356764 /nfs/dbraw/zinc/35/67/64/191356764.db2.gz NJQBWIRFKHQDCO-LURJTMIESA-N 0 0 245.279 2.292 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000413467113 191383546 /nfs/dbraw/zinc/38/35/46/191383546.db2.gz ZGDREOAEFMKHGN-UTLUCORTSA-N 0 0 233.271 2.012 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@H]2CF)c(F)c1 ZINC000413303259 191369711 /nfs/dbraw/zinc/36/97/11/191369711.db2.gz VQYZZKUZKWHUFW-ZETCQYMHSA-N 0 0 243.213 2.067 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@H]2C2CC2)c(F)c1 ZINC000413316336 191371776 /nfs/dbraw/zinc/37/17/76/191371776.db2.gz PQYZWFBZQIQJGF-JTQLQIEISA-N 0 0 237.234 2.118 20 5 BEBDRN Cc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000032516992 355526499 /nfs/dbraw/zinc/52/64/99/355526499.db2.gz JUNUGNACPKVQHV-SCZZXKLOSA-N 0 0 234.255 2.498 20 5 BEBDRN Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000032516993 355526774 /nfs/dbraw/zinc/52/67/74/355526774.db2.gz JUNUGNACPKVQHV-WPRPVWTQSA-N 0 0 234.255 2.498 20 5 BEBDRN Cc1c(C(=O)NC2CCC2)cccc1[N+](=O)[O-] ZINC000336037004 134060358 /nfs/dbraw/zinc/06/03/58/134060358.db2.gz JAMGNVTUPVSBKK-UHFFFAOYSA-N 0 0 234.255 2.186 20 5 BEBDRN Cc1c(NC(=O)N2CC(C)C2)cccc1[N+](=O)[O-] ZINC000336163316 134111855 /nfs/dbraw/zinc/11/18/55/134111855.db2.gz DYDDRAJBVWMINF-UHFFFAOYSA-N 0 0 249.270 2.387 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@@H]1C ZINC000336165358 134113211 /nfs/dbraw/zinc/11/32/11/134113211.db2.gz PGEYSFXGMZKGFY-UWVGGRQHSA-N 0 0 248.282 2.384 20 5 BEBDRN CCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000060619262 168765959 /nfs/dbraw/zinc/76/59/59/168765959.db2.gz OHWNYHHMXBNVSS-UHFFFAOYSA-N 0 0 236.271 2.467 20 5 BEBDRN CC[C@@H](C)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000450378534 202145755 /nfs/dbraw/zinc/14/57/55/202145755.db2.gz LMMKHZKIIGVHFN-MRVPVSSYSA-N 0 0 209.249 2.225 20 5 BEBDRN CC[C@H](C)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000450378536 202146809 /nfs/dbraw/zinc/14/68/09/202146809.db2.gz LMMKHZKIIGVHFN-QMMMGPOBSA-N 0 0 209.249 2.225 20 5 BEBDRN Cc1nc(N2CC(C)=C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450505327 202186952 /nfs/dbraw/zinc/18/69/52/202186952.db2.gz YFHXLSJSCFMRDO-MRVPVSSYSA-N 0 0 248.286 2.096 20 5 BEBDRN CC[C@H](Nc1ncccc1[N+](=O)[O-])C(F)F ZINC000450557152 202195937 /nfs/dbraw/zinc/19/59/37/202195937.db2.gz CNIAANFZEGVJPX-LURJTMIESA-N 0 0 231.202 2.445 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@H](F)C1 ZINC000450602171 202209702 /nfs/dbraw/zinc/20/97/02/202209702.db2.gz QROFDZGLHUDAOK-VIFPVBQESA-N 0 0 224.235 2.451 20 5 BEBDRN O=[N+]([O-])c1ccccc1OCC[C@@H]1CCOC1 ZINC000450616572 202212752 /nfs/dbraw/zinc/21/27/52/202212752.db2.gz DRFGWTPZSYJCPM-JTQLQIEISA-N 0 0 237.255 2.400 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000618631277 357226512 /nfs/dbraw/zinc/22/65/12/357226512.db2.gz QHCKFZIUWWUUAT-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN O=[N+]([O-])c1cccc(SCc2nc[nH]n2)c1 ZINC001641121403 1172223908 /nfs/dbraw/zinc/22/39/08/1172223908.db2.gz JUHWYYDOAZCSHZ-UHFFFAOYSA-N 0 0 236.256 2.005 20 5 BEBDRN C[C@@H](CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000035606941 358003343 /nfs/dbraw/zinc/00/33/43/358003343.db2.gz GPSQMLDBNVTQPE-LURJTMIESA-N 0 0 230.651 2.041 20 5 BEBDRN Cc1c(C(=O)N2CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000619146795 358003996 /nfs/dbraw/zinc/00/39/96/358003996.db2.gz HUDBSIMDVRYSAS-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1cnc(N2CC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000450650490 202225125 /nfs/dbraw/zinc/22/51/25/202225125.db2.gz ZNIIBBYBFWJBRZ-SNVBAGLBSA-N 0 0 233.271 2.287 20 5 BEBDRN Cc1cc(CNc2cccc([N+](=O)[O-])c2)nn1C ZINC000610855934 358217879 /nfs/dbraw/zinc/21/78/79/358217879.db2.gz VBRHLWKRRNPMPT-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN O=[N+]([O-])c1ccccc1CN1CC(C(F)F)C1 ZINC000610892642 358228252 /nfs/dbraw/zinc/22/82/52/358228252.db2.gz HLQUDPFVFJBPBT-UHFFFAOYSA-N 0 0 242.225 2.292 20 5 BEBDRN Cc1cccc(NCc2ccn(C)n2)c1[N+](=O)[O-] ZINC000218872873 134265666 /nfs/dbraw/zinc/26/56/66/134265666.db2.gz SIDJVENBNPTASR-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN C[C@H]1OCC[C@H]1Sc1cccnc1[N+](=O)[O-] ZINC000611086042 358608390 /nfs/dbraw/zinc/60/83/90/358608390.db2.gz AAXLIRBAFWSIAF-HTQZYQBOSA-N 0 0 240.284 2.259 20 5 BEBDRN Cc1ccc(CNc2ncccc2[N+](=O)[O-])cn1 ZINC000047538182 358592999 /nfs/dbraw/zinc/59/29/99/358592999.db2.gz DRFIVZWYPCRNOH-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cc(C(=O)NC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000049157921 358674412 /nfs/dbraw/zinc/67/44/12/358674412.db2.gz ISXHIXOOBGLBKE-UHFFFAOYSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@@H](Cn1ccnc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000049236014 358676691 /nfs/dbraw/zinc/67/66/91/358676691.db2.gz VANVQIJWRPNSQH-JTQLQIEISA-N 0 0 246.270 2.292 20 5 BEBDRN CC1(C)CN(c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000231236725 359526694 /nfs/dbraw/zinc/52/66/94/359526694.db2.gz IATSEYCMFHFVQB-UHFFFAOYSA-N 0 0 236.271 2.210 20 5 BEBDRN CC1(CNc2ccncc2[N+](=O)[O-])CC1 ZINC000224436348 359682431 /nfs/dbraw/zinc/68/24/31/359682431.db2.gz KCOCVSCMVUYBRM-UHFFFAOYSA-N 0 0 207.233 2.202 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1[C@@H]1C[C@H](C)CCC1=O ZINC000450819421 202274346 /nfs/dbraw/zinc/27/43/46/202274346.db2.gz KXLFPHDCZDCTQK-VXNVDRBHSA-N 0 0 237.259 2.030 20 5 BEBDRN Cc1nn(C[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000450958641 202320961 /nfs/dbraw/zinc/32/09/61/202320961.db2.gz LKNSVZGMIXXRGK-RXMQYKEDSA-N 0 0 237.181 2.298 20 5 BEBDRN CCc1ccc(Cn2cc([N+](=O)[O-])c(C)n2)nc1 ZINC000450966079 202321082 /nfs/dbraw/zinc/32/10/82/202321082.db2.gz YILQCLJMOLOUAE-UHFFFAOYSA-N 0 0 246.270 2.105 20 5 BEBDRN COCC1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000578567397 366600132 /nfs/dbraw/zinc/60/01/32/366600132.db2.gz BBPRFAAZBLZGJB-UHFFFAOYSA-N 0 0 240.234 2.325 20 5 BEBDRN CCOC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000185954554 219873156 /nfs/dbraw/zinc/87/31/56/219873156.db2.gz XHDBAZYWBWKMCC-UHFFFAOYSA-N 0 0 241.268 2.493 20 5 BEBDRN Cc1nn(Cc2cccc(N)c2)c(C)c1[N+](=O)[O-] ZINC000139459330 363930367 /nfs/dbraw/zinc/93/03/67/363930367.db2.gz MHTNKZLTZIJCJN-UHFFFAOYSA-N 0 0 246.270 2.039 20 5 BEBDRN CC[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000037694791 364525868 /nfs/dbraw/zinc/52/58/68/364525868.db2.gz SRIDCTZRRCUKTD-QMMMGPOBSA-N 0 0 245.662 2.398 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1NC[C@@H](C)OC ZINC000573624487 364877961 /nfs/dbraw/zinc/87/79/61/364877961.db2.gz MTMOYLFDBZIVKO-MRVPVSSYSA-N 0 0 240.259 2.050 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)N(CC1CC1)CC2 ZINC000182766932 366939140 /nfs/dbraw/zinc/93/91/40/366939140.db2.gz WAMHZEHZHVJHBQ-UHFFFAOYSA-N 0 0 218.256 2.367 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1CSCCCO ZINC000580964040 367221406 /nfs/dbraw/zinc/22/14/06/367221406.db2.gz XBOAGKKQIMCPCU-UHFFFAOYSA-N 0 0 245.275 2.350 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[C@@H](F)C1 ZINC000581817566 367830958 /nfs/dbraw/zinc/83/09/58/367830958.db2.gz NKRVLEUPZJWIED-SFYZADRCSA-N 0 0 242.254 2.021 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[C@H](F)C1 ZINC000581817567 367831759 /nfs/dbraw/zinc/83/17/59/367831759.db2.gz NKRVLEUPZJWIED-YUMQZZPRSA-N 0 0 242.254 2.021 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@@H]1C ZINC000161410166 368143983 /nfs/dbraw/zinc/14/39/83/368143983.db2.gz NBCUORASGBHDGU-CBAPKCEASA-N 0 0 221.260 2.366 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@H]1C ZINC000161410434 368145030 /nfs/dbraw/zinc/14/50/30/368145030.db2.gz NBCUORASGBHDGU-APPZFPTMSA-N 0 0 221.260 2.366 20 5 BEBDRN CCCN(C)c1c(OC)cccc1[N+](=O)[O-] ZINC000582013626 368153132 /nfs/dbraw/zinc/15/31/32/368153132.db2.gz QZLUJXKDXVKTPL-UHFFFAOYSA-N 0 0 224.260 2.450 20 5 BEBDRN CC[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000034017484 368262312 /nfs/dbraw/zinc/26/23/12/368262312.db2.gz YKWAXXNNKZSHDA-SECBINFHSA-N 0 0 236.271 2.371 20 5 BEBDRN CC[C@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000057071269 368480164 /nfs/dbraw/zinc/48/01/64/368480164.db2.gz OJNUUNNYRHRTAW-JGVFFNPUSA-N 0 0 240.259 2.352 20 5 BEBDRN CC[C@@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000057071267 368480558 /nfs/dbraw/zinc/48/05/58/368480558.db2.gz OJNUUNNYRHRTAW-HTQZYQBOSA-N 0 0 240.259 2.352 20 5 BEBDRN CCCN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000063602569 368589695 /nfs/dbraw/zinc/58/96/95/368589695.db2.gz UXZRXFCPNSMPHR-RMKNXTFCSA-N 0 0 248.282 2.476 20 5 BEBDRN O=[N+]([O-])c1cccnc1SC[C@@H]1CCCO1 ZINC000067807420 368700616 /nfs/dbraw/zinc/70/06/16/368700616.db2.gz WSXABWOEJGCTPW-QMMMGPOBSA-N 0 0 240.284 2.261 20 5 BEBDRN O=[N+]([O-])c1ccc2ncnc(NC3CC3)c2c1 ZINC000081588946 370901729 /nfs/dbraw/zinc/90/17/29/370901729.db2.gz LUCVJRUQIMSPPP-UHFFFAOYSA-N 0 0 230.227 2.112 20 5 BEBDRN CC(=O)c1nccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000350002110 370937524 /nfs/dbraw/zinc/93/75/24/370937524.db2.gz MRPLOQWLDDCLME-UHFFFAOYSA-N 0 0 245.238 2.042 20 5 BEBDRN NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000082171529 370966118 /nfs/dbraw/zinc/96/61/18/370966118.db2.gz PPCAXLAMLORSCD-UHFFFAOYSA-N 0 0 242.234 2.361 20 5 BEBDRN O=[N+]([O-])c1sccc1N1CCSCC1 ZINC000063262824 370145872 /nfs/dbraw/zinc/14/58/72/370145872.db2.gz YIWNCHAQFKHLCL-UHFFFAOYSA-N 0 0 230.314 2.210 20 5 BEBDRN C[C@H]1SCC[C@@H]1Nc1cccnc1[N+](=O)[O-] ZINC000309531967 370223804 /nfs/dbraw/zinc/22/38/04/370223804.db2.gz AALVYMNKPDICCB-SFYZADRCSA-N 0 0 239.300 2.296 20 5 BEBDRN CCOCCCNc1ccc([N+](=O)[O-])s1 ZINC000064029092 370238756 /nfs/dbraw/zinc/23/87/56/370238756.db2.gz DLJOGGUOTAJYPV-UHFFFAOYSA-N 0 0 230.289 2.495 20 5 BEBDRN CC(C)[C@H](C)CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000310203571 370321895 /nfs/dbraw/zinc/32/18/95/370321895.db2.gz CHPOMRDHNZMMAF-MRVPVSSYSA-N 0 0 238.291 2.276 20 5 BEBDRN CN(Cc1ccncc1)c1ccncc1[N+](=O)[O-] ZINC000066797739 370611189 /nfs/dbraw/zinc/61/11/89/370611189.db2.gz DQQRVHBPNICNFY-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN CC(F)(F)CNCc1ccccc1[N+](=O)[O-] ZINC000378934486 371027779 /nfs/dbraw/zinc/02/77/79/371027779.db2.gz YRUFQQAJRNTINP-UHFFFAOYSA-N 0 0 230.214 2.340 20 5 BEBDRN O=[N+]([O-])c1ccccc1CNCc1ccncc1 ZINC000020140334 371234496 /nfs/dbraw/zinc/23/44/96/371234496.db2.gz PCRBFJRENVAPNQ-UHFFFAOYSA-N 0 0 243.266 2.280 20 5 BEBDRN CCC(CC)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000020448803 371282766 /nfs/dbraw/zinc/28/27/66/371282766.db2.gz DGEVZBJLHGZDDL-UHFFFAOYSA-N 0 0 226.232 2.106 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1NC[C@H]1CCOC1 ZINC000156437365 371409436 /nfs/dbraw/zinc/40/94/36/371409436.db2.gz HHKVIMCMNXBFHC-MRVPVSSYSA-N 0 0 240.234 2.182 20 5 BEBDRN C[C@H]1CC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000334187436 371508949 /nfs/dbraw/zinc/50/89/49/371508949.db2.gz GUOVYEAAAJSWFG-WPRPVWTQSA-N 0 0 234.255 2.123 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[C@H]1C ZINC000335807744 371546428 /nfs/dbraw/zinc/54/64/28/371546428.db2.gz AAQWEGGZPLXEIB-PELKAZGASA-N 0 0 248.282 2.432 20 5 BEBDRN CCN(Cc1ccoc1)c1ncc([N+](=O)[O-])cn1 ZINC000302125258 371560413 /nfs/dbraw/zinc/56/04/13/371560413.db2.gz WCUONANUSYJQAI-UHFFFAOYSA-N 0 0 248.242 2.004 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ccoc3)no2)[nH]1 ZINC000350813047 371595452 /nfs/dbraw/zinc/59/54/52/371595452.db2.gz BDJGRZGIPDDFSH-UHFFFAOYSA-N 0 0 246.182 2.233 20 5 BEBDRN C/C=C/CNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000600490046 371673159 /nfs/dbraw/zinc/67/31/59/371673159.db2.gz GYSFTKBBSCFUHO-HWKANZROSA-N 0 0 248.282 2.463 20 5 BEBDRN C/C=C\CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000600490662 371674346 /nfs/dbraw/zinc/67/43/46/371674346.db2.gz KDLMYYMDIAQSHR-ARJAWSKDSA-N 0 0 234.255 2.209 20 5 BEBDRN C/C=C/CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000600493306 371675353 /nfs/dbraw/zinc/67/53/53/371675353.db2.gz UIKKRHSCDZTBRF-ONEGZZNKSA-N 0 0 234.255 2.209 20 5 BEBDRN C[C@@H]1C[C@H]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000600517764 371678567 /nfs/dbraw/zinc/67/85/67/371678567.db2.gz YJBPETGTDIAAJG-SFYZADRCSA-N 0 0 248.238 2.159 20 5 BEBDRN C/C=C\C[C@@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000351546410 371642546 /nfs/dbraw/zinc/64/25/46/371642546.db2.gz UWFNNYILFXKYRN-ZMWSMAPVSA-N 0 0 236.271 2.334 20 5 BEBDRN O=C(NCC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000600228505 371653837 /nfs/dbraw/zinc/65/38/37/371653837.db2.gz CHICBXVJXYJRBA-UHFFFAOYSA-N 0 0 246.266 2.291 20 5 BEBDRN CCCC(=O)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000351668249 371654947 /nfs/dbraw/zinc/65/49/47/371654947.db2.gz UUWVHUJIDGYMEZ-UHFFFAOYSA-N 0 0 237.259 2.038 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@@]12C[C@@H]1CCCC2 ZINC000601227513 371739654 /nfs/dbraw/zinc/73/96/54/371739654.db2.gz TVFHMURTYFTUPF-KWQFWETISA-N 0 0 236.275 2.073 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC[C@H](O)C(F)F)cc1 ZINC000601223739 371740059 /nfs/dbraw/zinc/74/00/59/371740059.db2.gz MHXBZTZWTDKWKR-VIFPVBQESA-N 0 0 246.213 2.023 20 5 BEBDRN CC(C)CN(C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601108560 371727528 /nfs/dbraw/zinc/72/75/28/371727528.db2.gz JCJKIASICBUZCP-UHFFFAOYSA-N 0 0 227.239 2.221 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@H](F)C1 ZINC000601160227 371732207 /nfs/dbraw/zinc/73/22/07/371732207.db2.gz SHHIAIUUUKFHKN-SSDOTTSWSA-N 0 0 243.213 2.067 20 5 BEBDRN Cc1cc(N(C)CCF)c(F)cc1[N+](=O)[O-] ZINC000601170102 371732445 /nfs/dbraw/zinc/73/24/45/371732445.db2.gz VSBCCHZNFFRJNP-UHFFFAOYSA-N 0 0 230.214 2.448 20 5 BEBDRN C[C@H]1C[C@H](C)N1c1ncc(F)cc1[N+](=O)[O-] ZINC000601157568 371732493 /nfs/dbraw/zinc/73/24/93/371732493.db2.gz AFZURNRBSBLRAS-BQBZGAKWSA-N 0 0 225.223 2.116 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)CCF)c1 ZINC000601170410 371733266 /nfs/dbraw/zinc/73/32/66/371733266.db2.gz RDPTUYDIUISLPJ-UHFFFAOYSA-N 0 0 212.224 2.309 20 5 BEBDRN Cc1n[nH]cc1CN(C)c1ccccc1[N+](=O)[O-] ZINC000601184452 371735413 /nfs/dbraw/zinc/73/54/13/371735413.db2.gz LRZNAZVCTDCMCK-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN CC(C)(F)CNc1ncc([N+](=O)[O-])cc1F ZINC000601206042 371736603 /nfs/dbraw/zinc/73/66/03/371736603.db2.gz MZJJAHXHLAGZAG-UHFFFAOYSA-N 0 0 231.202 2.289 20 5 BEBDRN Cc1nn([C@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000600542860 371683479 /nfs/dbraw/zinc/68/34/79/371683479.db2.gz FPWLGVHCFBUIEE-SECBINFHSA-N 0 0 239.275 2.087 20 5 BEBDRN CCC[C@H](CCO)Nc1ncc([N+](=O)[O-])s1 ZINC000601212155 371738278 /nfs/dbraw/zinc/73/82/78/371738278.db2.gz HCHSWSGBLIZSRV-SSDOTTSWSA-N 0 0 245.304 2.014 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2CC=CC2)s1 ZINC000226776283 371743222 /nfs/dbraw/zinc/74/32/22/371743222.db2.gz INUCDZJMSHWRMG-UHFFFAOYSA-N 0 0 211.246 2.182 20 5 BEBDRN CCOC(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000132039651 371745601 /nfs/dbraw/zinc/74/56/01/371745601.db2.gz CPGQSOAEALEAJV-UHFFFAOYSA-N 0 0 227.191 2.219 20 5 BEBDRN COCCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000304299045 371775455 /nfs/dbraw/zinc/77/54/55/371775455.db2.gz ASGHYBPTSGFYGO-UHFFFAOYSA-N 0 0 245.666 2.092 20 5 BEBDRN Cc1c([N+](=O)[O-])cccc1N1N=CC[C@H](C)C1=O ZINC000601937169 371778108 /nfs/dbraw/zinc/77/81/08/371778108.db2.gz CELODSZKAUGEFM-QMMMGPOBSA-N 0 0 247.254 2.262 20 5 BEBDRN CCC1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602689594 371830037 /nfs/dbraw/zinc/83/00/37/371830037.db2.gz FNVVCCPMNQMIKO-UHFFFAOYSA-N 0 0 234.299 2.479 20 5 BEBDRN Cc1nc(NC(=O)C23CC(C2)C3)ccc1[N+](=O)[O-] ZINC000602289086 371796016 /nfs/dbraw/zinc/79/60/16/371796016.db2.gz QUBCZWIIJQDNCD-UHFFFAOYSA-N 0 0 247.254 2.037 20 5 BEBDRN Cc1nn(C[C@@H]2C[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000603317741 371882557 /nfs/dbraw/zinc/88/25/57/371882557.db2.gz BXSUBXJOFREBLC-APPZFPTMSA-N 0 0 246.270 2.304 20 5 BEBDRN COc1cc(Cn2cnc([N+](=O)[O-])c2)ccc1C ZINC000603312796 371882813 /nfs/dbraw/zinc/88/28/13/371882813.db2.gz ASWJSYUHVKHNLG-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN CC1(C)CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000602752248 371839159 /nfs/dbraw/zinc/83/91/59/371839159.db2.gz PAJBWKURWPLZSX-UHFFFAOYSA-N 0 0 226.301 2.498 20 5 BEBDRN C[C@H](SCCO)c1cccc([N+](=O)[O-])c1 ZINC000603454226 371896566 /nfs/dbraw/zinc/89/65/66/371896566.db2.gz ZTTAHXGLACMSDW-QMMMGPOBSA-N 0 0 227.285 2.381 20 5 BEBDRN C[C@H]1CC[C@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000230435280 371909685 /nfs/dbraw/zinc/90/96/85/371909685.db2.gz JHJUNVUMEBXXFB-IUCAKERBSA-N 0 0 238.291 2.176 20 5 BEBDRN O=[N+]([O-])c1ccccc1Oc1cnccn1 ZINC000603823616 371933121 /nfs/dbraw/zinc/93/31/21/371933121.db2.gz KNLBXRJYSGUGFK-UHFFFAOYSA-N 0 0 217.184 2.177 20 5 BEBDRN C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000604396067 371974490 /nfs/dbraw/zinc/97/44/90/371974490.db2.gz OHIVESUJGYVYBI-SECBINFHSA-N 0 0 248.282 2.371 20 5 BEBDRN Cc1ccc(Oc2cccnc2[N+](=O)[O-])cn1 ZINC000604438431 371977524 /nfs/dbraw/zinc/97/75/24/371977524.db2.gz ZLFYNAUBCSMFFQ-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN Cc1nc(NC(=O)C2(C)CC2)ccc1[N+](=O)[O-] ZINC000133812868 372115323 /nfs/dbraw/zinc/11/53/23/372115323.db2.gz AFFWXSUVGJDLFV-UHFFFAOYSA-N 0 0 235.243 2.037 20 5 BEBDRN Cc1cccc(NCC(C)(C)CO)c1[N+](=O)[O-] ZINC000218870070 372161129 /nfs/dbraw/zinc/16/11/29/372161129.db2.gz WKKYTBMYEURHMX-UHFFFAOYSA-N 0 0 238.287 2.334 20 5 BEBDRN O=C(CC1CC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000298267289 181890986 /nfs/dbraw/zinc/89/09/86/181890986.db2.gz BGTBQPNUCHTIGA-UHFFFAOYSA-N 0 0 238.218 2.473 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCc1ccnc(F)c1 ZINC001643005904 1172426612 /nfs/dbraw/zinc/42/66/12/1172426612.db2.gz NYNKUMYGFVBLDD-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN O=C(COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000277999374 182004304 /nfs/dbraw/zinc/00/43/04/182004304.db2.gz KKWYOURADJDGEA-UHFFFAOYSA-N 0 0 235.239 2.343 20 5 BEBDRN O=C(NCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000174675470 182156345 /nfs/dbraw/zinc/15/63/45/182156345.db2.gz BHOCWUOKQDYXDY-UHFFFAOYSA-N 0 0 234.255 2.125 20 5 BEBDRN O=C(NCCCCF)c1ccccc1[N+](=O)[O-] ZINC000360534706 182164297 /nfs/dbraw/zinc/16/42/97/182164297.db2.gz IVGGMGQNSCUXHD-UHFFFAOYSA-N 0 0 240.234 2.074 20 5 BEBDRN CC1(C)CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000173682914 373851727 /nfs/dbraw/zinc/85/17/27/373851727.db2.gz SOFXCYUWROBZEL-UHFFFAOYSA-N 0 0 248.282 2.467 20 5 BEBDRN CC(C)=CCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000189490674 205867649 /nfs/dbraw/zinc/86/76/49/205867649.db2.gz FYVOEWJEIFHVPZ-UHFFFAOYSA-N 0 0 249.270 2.072 20 5 BEBDRN O=[N+]([O-])c1ccc(CNCc2nccs2)cc1 ZINC000041654385 374169352 /nfs/dbraw/zinc/16/93/52/374169352.db2.gz XSDMZWSLKGEORH-UHFFFAOYSA-N 0 0 249.295 2.341 20 5 BEBDRN CCCOC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000042288001 374258917 /nfs/dbraw/zinc/25/89/17/374258917.db2.gz OUIWULBNIUIPAM-UHFFFAOYSA-N 0 0 227.191 2.301 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC2 ZINC000334993552 182362765 /nfs/dbraw/zinc/36/27/65/182362765.db2.gz HQXZJEXOCGSHGW-SNVBAGLBSA-N 0 0 232.239 2.333 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)NC1CC1 ZINC000168992587 182363060 /nfs/dbraw/zinc/36/30/60/182363060.db2.gz PKBPECMDKZYLSU-UHFFFAOYSA-N 0 0 239.206 2.018 20 5 BEBDRN O=[N+]([O-])c1ccccc1OCc1cnsn1 ZINC001643452964 1172467072 /nfs/dbraw/zinc/46/70/72/1172467072.db2.gz RHYNJACZCSOQPT-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2ncccc2F)nc1 ZINC000127565608 182936394 /nfs/dbraw/zinc/93/63/94/182936394.db2.gz SANLZRRXGWQOCP-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NC1CCOCC1 ZINC000036966922 182923802 /nfs/dbraw/zinc/92/38/02/182923802.db2.gz LWXVTACHUWTQSP-UHFFFAOYSA-N 0 0 240.234 2.325 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1OC[C@@H]1CCOC1 ZINC000338844140 182924261 /nfs/dbraw/zinc/92/42/61/182924261.db2.gz KUILLKNKWSEFEL-MRVPVSSYSA-N 0 0 241.218 2.149 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCOC2)cc1 ZINC000035255716 182936835 /nfs/dbraw/zinc/93/68/35/182936835.db2.gz VXDPQLCGANAPBM-VIFPVBQESA-N 0 0 222.244 2.043 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCC2(O)CCC2)cc1 ZINC000286821853 182934947 /nfs/dbraw/zinc/93/49/47/182934947.db2.gz XEEWLULTEXKPEG-UHFFFAOYSA-N 0 0 236.271 2.312 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCCCO)c(Cl)c1 ZINC000236506053 182935195 /nfs/dbraw/zinc/93/51/95/182935195.db2.gz SBEBAJXTFWBJPA-UHFFFAOYSA-N 0 0 244.678 2.433 20 5 BEBDRN O=[N+]([O-])c1cccc(COCc2ncc[nH]2)c1 ZINC000123775697 182945233 /nfs/dbraw/zinc/94/52/33/182945233.db2.gz HVAHYGQBMBOXKX-UHFFFAOYSA-N 0 0 233.227 2.035 20 5 BEBDRN O=[N+]([O-])c1cnccc1SC[C@H]1CCCO1 ZINC000339994756 182960538 /nfs/dbraw/zinc/96/05/38/182960538.db2.gz LHUWNIMQAZJOQH-MRVPVSSYSA-N 0 0 240.284 2.261 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2C[C@@H]2C2CC2)s1 ZINC000308913646 182958369 /nfs/dbraw/zinc/95/83/69/182958369.db2.gz ZZJPZYQFGVSOEV-RNFRBKRXSA-N 0 0 225.273 2.262 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1[C@H]1C=CCCC1 ZINC000076609233 183001588 /nfs/dbraw/zinc/00/15/88/183001588.db2.gz JYORJNCCXUOTOU-VIFPVBQESA-N 0 0 220.228 2.038 20 5 BEBDRN CCCN(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669649 169059782 /nfs/dbraw/zinc/05/97/82/169059782.db2.gz AOQZCVUQOIRZIF-UHFFFAOYSA-N 0 0 240.234 2.216 20 5 BEBDRN CCCN(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000125624565 169061076 /nfs/dbraw/zinc/06/10/76/169061076.db2.gz INPNHOPQONLSAS-UHFFFAOYSA-N 0 0 240.234 2.216 20 5 BEBDRN CCCN(C)c1ncc([N+](=O)[O-])cc1C ZINC000264501580 169089343 /nfs/dbraw/zinc/08/93/43/169089343.db2.gz VMTCDCFNEKLLFS-UHFFFAOYSA-N 0 0 209.249 2.144 20 5 BEBDRN CCCN(CCO)c1ccc(C)cc1[N+](=O)[O-] ZINC000042453466 169169031 /nfs/dbraw/zinc/16/90/31/169169031.db2.gz YIVOJRMCTVLPHQ-UHFFFAOYSA-N 0 0 238.287 2.112 20 5 BEBDRN CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000006043304 169250263 /nfs/dbraw/zinc/25/02/63/169250263.db2.gz CTHFLLKVPMYCPY-UHFFFAOYSA-N 0 0 242.662 2.388 20 5 BEBDRN CCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000049397876 169250674 /nfs/dbraw/zinc/25/06/74/169250674.db2.gz YERASMZLDYXLQY-UHFFFAOYSA-N 0 0 222.244 2.043 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCSC2)n1 ZINC000223002319 134336079 /nfs/dbraw/zinc/33/60/79/134336079.db2.gz VUDJTXGLMIOYBG-MRVPVSSYSA-N 0 0 239.300 2.216 20 5 BEBDRN CCN(C(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000193553952 259606255 /nfs/dbraw/zinc/60/62/55/259606255.db2.gz RIUSSHVIPRTORS-UHFFFAOYSA-N 0 0 236.271 2.465 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H]2F)cn1 ZINC000338837553 383836710 /nfs/dbraw/zinc/83/67/10/383836710.db2.gz WCZDYTDHBPXXEW-RKDXNWHRSA-N 0 0 225.223 2.292 20 5 BEBDRN O=[N+]([O-])c1cnn(CCC2CCCC2)c1 ZINC000126418406 383950290 /nfs/dbraw/zinc/95/02/90/383950290.db2.gz KAUDVNGWGQEBKY-UHFFFAOYSA-N 0 0 209.249 2.372 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023243585 383961365 /nfs/dbraw/zinc/96/13/65/383961365.db2.gz KVRZOEULLBLIQR-GMSGAONNSA-N 0 0 220.228 2.189 20 5 BEBDRN Cc1c(OCC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000339332018 383965369 /nfs/dbraw/zinc/96/53/69/383965369.db2.gz XJTQIVIVQGYWCP-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]2C2CC2)nc1 ZINC000361811672 384073813 /nfs/dbraw/zinc/07/38/13/384073813.db2.gz CXYVVINYYOKECH-NSHDSACASA-N 0 0 233.271 2.369 20 5 BEBDRN CN(CC(C)(C)C)c1ccncc1[N+](=O)[O-] ZINC000340155368 384111816 /nfs/dbraw/zinc/11/18/16/384111816.db2.gz SGZGGQCCWLYRAH-UHFFFAOYSA-N 0 0 223.276 2.472 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H]2C)c1 ZINC000336231844 384173311 /nfs/dbraw/zinc/17/33/11/384173311.db2.gz BSAZBLCCCPPGGF-KOLCDFICSA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])c1cn(C[C@H]2CCCC2(F)F)cn1 ZINC000336276183 384199331 /nfs/dbraw/zinc/19/93/31/384199331.db2.gz IPQFWXMKCLOCQH-SSDOTTSWSA-N 0 0 231.202 2.227 20 5 BEBDRN C[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178435222 384236074 /nfs/dbraw/zinc/23/60/74/384236074.db2.gz FDFFJIBIKHOZKR-SECBINFHSA-N 0 0 248.282 2.257 20 5 BEBDRN CC[C@@H](CNc1ccc([N+](=O)[O-])cc1)OC ZINC000336657237 384246680 /nfs/dbraw/zinc/24/66/80/384246680.db2.gz IDCYZIWXMAYFQJ-NSHDSACASA-N 0 0 224.260 2.432 20 5 BEBDRN O=c1c2cc([N+](=O)[O-])ccc2ccn1CC1CC1 ZINC000335362213 384281499 /nfs/dbraw/zinc/28/14/99/384281499.db2.gz PGEPSHYIWLYZAS-UHFFFAOYSA-N 0 0 244.250 2.320 20 5 BEBDRN CC[C@H](O)CNc1ccc([N+](=O)[O-])cc1C ZINC000229994331 384344245 /nfs/dbraw/zinc/34/42/45/384344245.db2.gz PJZBZQVHFNPYJA-JTQLQIEISA-N 0 0 224.260 2.086 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@H]2CCOC2)cc1 ZINC000330363830 384366609 /nfs/dbraw/zinc/36/66/09/384366609.db2.gz VDEFEMHIAFQGIM-VIFPVBQESA-N 0 0 223.228 2.010 20 5 BEBDRN CC/C=C\CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000395057938 384392085 /nfs/dbraw/zinc/39/20/85/384392085.db2.gz YMEUNLXQZWEPMS-ARJAWSKDSA-N 0 0 246.270 2.271 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(S[C@H](C)CO)n1 ZINC000359080408 384376346 /nfs/dbraw/zinc/37/63/46/384376346.db2.gz FPNJIAQIAQGWQI-MRVPVSSYSA-N 0 0 242.300 2.080 20 5 BEBDRN O=c1c([N+](=O)[O-])cc(Cl)cn1CCCCF ZINC000285196086 384389323 /nfs/dbraw/zinc/38/93/23/384389323.db2.gz OKIFUMKJIJBORE-UHFFFAOYSA-N 0 0 248.641 2.160 20 5 BEBDRN Cc1noc(CNc2cc([N+](=O)[O-])ccc2C)n1 ZINC000046720559 384432100 /nfs/dbraw/zinc/43/21/00/384432100.db2.gz XXCAKNGTSUAGIK-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCOC1CCCC1 ZINC000431926833 384470011 /nfs/dbraw/zinc/47/00/11/384470011.db2.gz OKSISVVZTQCFNZ-UHFFFAOYSA-N 0 0 239.275 2.059 20 5 BEBDRN CC(C)(C)CNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302003803 384480875 /nfs/dbraw/zinc/48/08/75/384480875.db2.gz RNKCMCSCHZOMHY-UHFFFAOYSA-N 0 0 249.274 2.096 20 5 BEBDRN CCc1ccc(OC[C@H](O)CC)c([N+](=O)[O-])c1 ZINC000070497650 384568385 /nfs/dbraw/zinc/56/83/85/384568385.db2.gz FYTUBJROZKLBMB-SNVBAGLBSA-N 0 0 239.271 2.307 20 5 BEBDRN CCc1ccc(OCC(C)(C)O)c([N+](=O)[O-])c1 ZINC000070497653 384567751 /nfs/dbraw/zinc/56/77/51/384567751.db2.gz WSDWEBFMAKGUPB-UHFFFAOYSA-N 0 0 239.271 2.307 20 5 BEBDRN C[C@H](O)CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000082997856 384620176 /nfs/dbraw/zinc/62/01/76/384620176.db2.gz RZRFRELRLLVVHY-ZETCQYMHSA-N 0 0 244.678 2.431 20 5 BEBDRN CN(Cc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000103488081 384634817 /nfs/dbraw/zinc/63/48/17/384634817.db2.gz FFJYXDLRNAOXNP-UHFFFAOYSA-N 0 0 230.214 2.292 20 5 BEBDRN CN(Cc1ccccc1[N+](=O)[O-])CC(F)F ZINC000103489174 384637448 /nfs/dbraw/zinc/63/74/48/384637448.db2.gz HQTMDJMMDRAUCA-UHFFFAOYSA-N 0 0 230.214 2.292 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H](F)C2)cn1 ZINC000309491482 384652899 /nfs/dbraw/zinc/65/28/99/384652899.db2.gz ITGQOFSPJAONTK-JGVFFNPUSA-N 0 0 225.223 2.292 20 5 BEBDRN CCOCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000136092209 384656192 /nfs/dbraw/zinc/65/61/92/384656192.db2.gz AJZPPKDGKJBAPL-UHFFFAOYSA-N 0 0 228.223 2.182 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1Cn1ccnc1 ZINC000108657937 384729107 /nfs/dbraw/zinc/72/91/07/384729107.db2.gz IIQCVRCUARABPL-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN COC[C@@H](C)CNc1ccc([N+](=O)[O-])cc1 ZINC000044477490 384742821 /nfs/dbraw/zinc/74/28/21/384742821.db2.gz CXTBRHNTEQBZRH-VIFPVBQESA-N 0 0 224.260 2.289 20 5 BEBDRN Cc1nc(N2[C@@H](C)CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450381974 384743353 /nfs/dbraw/zinc/74/33/53/384743353.db2.gz WEVUWNBCUKGIMH-YUMQZZPRSA-N 0 0 236.275 2.070 20 5 BEBDRN Cc1c(NCCCCCO)cccc1[N+](=O)[O-] ZINC000178214958 384759834 /nfs/dbraw/zinc/75/98/34/384759834.db2.gz ATSCGEOJRDWJPF-UHFFFAOYSA-N 0 0 238.287 2.478 20 5 BEBDRN C[C@@H](NC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000055465047 384884475 /nfs/dbraw/zinc/88/44/75/384884475.db2.gz BSVIEPLUNRKWCF-MRVPVSSYSA-N 0 0 234.255 2.182 20 5 BEBDRN Cc1ccc(N[C@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000147563487 384844430 /nfs/dbraw/zinc/84/44/30/384844430.db2.gz DSWVTHKVIAJWCB-ZJUUUORDSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1ccc(N[C@@H]2CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000147563675 384844649 /nfs/dbraw/zinc/84/46/49/384844649.db2.gz DSWVTHKVIAJWCB-VHSXEESVSA-N 0 0 236.271 2.493 20 5 BEBDRN CCN(CCO)c1ccc([N+](=O)[O-])cc1Cl ZINC000054614151 384847772 /nfs/dbraw/zinc/84/77/72/384847772.db2.gz ATXZIYMWMBMLIM-UHFFFAOYSA-N 0 0 244.678 2.067 20 5 BEBDRN CCOCCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000087799885 384855850 /nfs/dbraw/zinc/85/58/50/384855850.db2.gz ZLVNGIZKPUPMFT-UHFFFAOYSA-N 0 0 229.207 2.149 20 5 BEBDRN CO[C@H](C)COc1cccc([N+](=O)[O-])c1C ZINC000180969248 384861377 /nfs/dbraw/zinc/86/13/77/384861377.db2.gz BAZWDRMTHRJBLH-MRVPVSSYSA-N 0 0 225.244 2.317 20 5 BEBDRN CC[C@@H](CO)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000084726242 384891372 /nfs/dbraw/zinc/89/13/72/384891372.db2.gz RGRDEJFDQBCTIB-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN CC[C@](C)(CO)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000083876400 384913673 /nfs/dbraw/zinc/91/36/73/384913673.db2.gz GCONBKDKQGCKKQ-GFCCVEGCSA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@](C)(CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000080882329 384982646 /nfs/dbraw/zinc/98/26/46/384982646.db2.gz ZLPJQTFEKQTAST-LLVKDONJSA-N 0 0 224.260 2.168 20 5 BEBDRN C[C@@H](CO)CSc1ccc([N+](=O)[O-])cc1F ZINC000085016379 385015958 /nfs/dbraw/zinc/01/59/58/385015958.db2.gz QVTTUOXJWLZHJV-ZETCQYMHSA-N 0 0 245.275 2.454 20 5 BEBDRN Cc1ccnc(SC[C@H](C)CO)c1[N+](=O)[O-] ZINC000085138053 385030161 /nfs/dbraw/zinc/03/01/61/385030161.db2.gz PHSKGAHSSHNFRM-SSDOTTSWSA-N 0 0 242.300 2.019 20 5 BEBDRN CC1CC(CNc2cccnc2[N+](=O)[O-])C1 ZINC000598642367 385039591 /nfs/dbraw/zinc/03/95/91/385039591.db2.gz HFAIEHLLGVMUST-UHFFFAOYSA-N 0 0 221.260 2.448 20 5 BEBDRN Cc1cccc(N2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000364797571 385116190 /nfs/dbraw/zinc/11/61/90/385116190.db2.gz JLKYMQNUSVTVDG-PHIMTYICSA-N 0 0 248.282 2.271 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CC[C@H](O)C2)cc1 ZINC000236580378 385169182 /nfs/dbraw/zinc/16/91/82/385169182.db2.gz UCAPOHMTTOTNEV-CABZTGNLSA-N 0 0 236.271 2.168 20 5 BEBDRN Cc1cnc(SC[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000085426943 385177919 /nfs/dbraw/zinc/17/79/19/385177919.db2.gz VUTMPKKMIXPGGY-MRVPVSSYSA-N 0 0 242.300 2.019 20 5 BEBDRN C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000177115657 385201434 /nfs/dbraw/zinc/20/14/34/385201434.db2.gz HGHWUMJBWCBBBW-ZJUUUORDSA-N 0 0 248.282 2.465 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCCc1cnccn1 ZINC000340953681 385304204 /nfs/dbraw/zinc/30/42/04/385304204.db2.gz LOMPPJXKFSFJBH-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN CC[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189680131 385268350 /nfs/dbraw/zinc/26/83/50/385268350.db2.gz YGWMIWDIEXLFEA-RXMQYKEDSA-N 0 0 201.251 2.262 20 5 BEBDRN C[C@H](CF)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000288115155 385273159 /nfs/dbraw/zinc/27/31/59/385273159.db2.gz CFYGVOSYNIDRNT-ZCFIWIBFSA-N 0 0 243.194 2.273 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCCO2)c1 ZINC000273299320 385352564 /nfs/dbraw/zinc/35/25/64/385352564.db2.gz LRDXDVAWPLPHBO-UHFFFAOYSA-N 0 0 208.217 2.045 20 5 BEBDRN Cc1ccc(N2CCCO2)c([N+](=O)[O-])c1 ZINC000273353956 385355775 /nfs/dbraw/zinc/35/57/75/385355775.db2.gz VPXFJWDSRRPZTA-UHFFFAOYSA-N 0 0 208.217 2.045 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@@H]2C)c1 ZINC000149985294 385537291 /nfs/dbraw/zinc/53/72/91/385537291.db2.gz WTIAKXUAWRKXTG-ZJUUUORDSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1c(OCCC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000336728256 385519046 /nfs/dbraw/zinc/51/90/46/385519046.db2.gz WREVJASVRPRVCM-VIFPVBQESA-N 0 0 239.271 2.443 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@H]1CCCC[C@@H]1O ZINC000052005898 385598282 /nfs/dbraw/zinc/59/82/82/385598282.db2.gz BECJPMWUWIJZJF-JQWIXIFHSA-N 0 0 236.271 2.310 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CC1(C)C ZINC000302826785 385638754 /nfs/dbraw/zinc/63/87/54/385638754.db2.gz AVBROUPCDBDEFL-VIFPVBQESA-N 0 0 221.260 2.225 20 5 BEBDRN CCN(C[C@H](C)OC)c1ccc([N+](=O)[O-])cc1 ZINC000292287988 385640740 /nfs/dbraw/zinc/64/07/40/385640740.db2.gz KEKWOGFQQTTYEK-JTQLQIEISA-N 0 0 238.287 2.456 20 5 BEBDRN C[C@H](NC(=O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000190173819 385747430 /nfs/dbraw/zinc/74/74/30/385747430.db2.gz KATDOMRRAGOJFQ-LURJTMIESA-N 0 0 244.197 2.037 20 5 BEBDRN CCC1(CNc2ncc([N+](=O)[O-])cn2)CCC1 ZINC000230874389 385762782 /nfs/dbraw/zinc/76/27/82/385762782.db2.gz VISPKNPCJXXCKE-UHFFFAOYSA-N 0 0 236.275 2.377 20 5 BEBDRN Cc1c(CNc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000093649709 385787471 /nfs/dbraw/zinc/78/74/71/385787471.db2.gz WIEMTEFXSVCLLF-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN CSCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000292756090 385723050 /nfs/dbraw/zinc/72/30/50/385723050.db2.gz WCULZOPQMORQQF-UHFFFAOYSA-N 0 0 217.221 2.433 20 5 BEBDRN CO[C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000292824225 385726642 /nfs/dbraw/zinc/72/66/42/385726642.db2.gz ZZLLSSDEBCJWNY-MRVPVSSYSA-N 0 0 242.250 2.489 20 5 BEBDRN C[C@@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000112601619 385847144 /nfs/dbraw/zinc/84/71/44/385847144.db2.gz IKDLYNYHKWQQLZ-ZETCQYMHSA-N 0 0 238.243 2.106 20 5 BEBDRN Cc1c(CNc2ccccc2[N+](=O)[O-])cnn1C ZINC000093649700 385788384 /nfs/dbraw/zinc/78/83/84/385788384.db2.gz IPLFCBOOIAGAJP-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN CC[C@@H](C)CONc1c([N+](=O)[O-])c(C)nn1C ZINC000291640955 385903115 /nfs/dbraw/zinc/90/31/15/385903115.db2.gz BFWBBVMMPVYZRK-SSDOTTSWSA-N 0 0 242.279 2.026 20 5 BEBDRN CO[C@@H](C)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000164022155 385903816 /nfs/dbraw/zinc/90/38/16/385903816.db2.gz WNELSOLHXMUVOS-ZETCQYMHSA-N 0 0 229.207 2.148 20 5 BEBDRN CCCn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000291671167 385909466 /nfs/dbraw/zinc/90/94/66/385909466.db2.gz QAZFMJNCBMVTMC-UHFFFAOYSA-N 0 0 232.239 2.320 20 5 BEBDRN CC1(C(=O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)CC1 ZINC000355947276 385925071 /nfs/dbraw/zinc/92/50/71/385925071.db2.gz WVNBCRJNPGIVKC-UHFFFAOYSA-N 0 0 249.270 2.038 20 5 BEBDRN CN(CCC1CC1)c1ccc(N)cc1[N+](=O)[O-] ZINC000286058871 385992208 /nfs/dbraw/zinc/99/22/08/385992208.db2.gz BLDIEYOBTUWHLD-UHFFFAOYSA-N 0 0 235.287 2.413 20 5 BEBDRN Cc1cnc([C@@H](C)Oc2cccnc2[N+](=O)[O-])o1 ZINC000356182182 386108665 /nfs/dbraw/zinc/10/86/65/386108665.db2.gz VFZXFOHTFITWLN-MRVPVSSYSA-N 0 0 249.226 2.426 20 5 BEBDRN C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000072784864 386124244 /nfs/dbraw/zinc/12/42/44/386124244.db2.gz QXLBLKLQXPZAGQ-VIFPVBQESA-N 0 0 248.282 2.052 20 5 BEBDRN C[C@]1(Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000160005001 386092056 /nfs/dbraw/zinc/09/20/56/386092056.db2.gz OYDKSDSGKAEHAY-NSHDSACASA-N 0 0 222.244 2.186 20 5 BEBDRN CC(C)(C(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000265703025 386363026 /nfs/dbraw/zinc/36/30/26/386363026.db2.gz FOPDPBIPNUOKJG-UHFFFAOYSA-N 0 0 248.282 2.151 20 5 BEBDRN COC(=O)[C@@H](C)Sc1ccccc1[N+](=O)[O-] ZINC000052928174 386363906 /nfs/dbraw/zinc/36/39/06/386363906.db2.gz GKXFBDSLSNGKEV-SSDOTTSWSA-N 0 0 241.268 2.248 20 5 BEBDRN CN(Cc1ccco1)c1ccncc1[N+](=O)[O-] ZINC000357048382 386367336 /nfs/dbraw/zinc/36/73/36/386367336.db2.gz MSFUXHPSSHNNEG-UHFFFAOYSA-N 0 0 233.227 2.219 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H](O)C2CCC2)cc1 ZINC000315906445 259688154 /nfs/dbraw/zinc/68/81/54/259688154.db2.gz UFOASWDRRAMBFJ-GFCCVEGCSA-N 0 0 236.271 2.168 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC2(CC2)C1 ZINC000334499779 386422562 /nfs/dbraw/zinc/42/25/62/386422562.db2.gz SHHDNKQLVHDLSJ-UHFFFAOYSA-N 0 0 247.254 2.223 20 5 BEBDRN C[C@@H](NCc1cocn1)c1cccc([N+](=O)[O-])c1 ZINC000237367548 386482732 /nfs/dbraw/zinc/48/27/32/386482732.db2.gz OVKCZGXXVVOAFS-SECBINFHSA-N 0 0 247.254 2.434 20 5 BEBDRN Cc1cc(C(=O)NC2CC(C)C2)cc([N+](=O)[O-])c1 ZINC000267714269 386487024 /nfs/dbraw/zinc/48/70/24/386487024.db2.gz PBOPURIMOWLCMH-UHFFFAOYSA-N 0 0 248.282 2.432 20 5 BEBDRN CC[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151270934 386495770 /nfs/dbraw/zinc/49/57/70/386495770.db2.gz NNUDOMHRJXIXFD-SECBINFHSA-N 0 0 236.271 2.052 20 5 BEBDRN CN(Cc1ccccn1)c1ccc([N+](=O)[O-])cn1 ZINC000048976701 386581898 /nfs/dbraw/zinc/58/18/98/386581898.db2.gz UQCPZJAZJCHECW-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN CS[C@H](C)CNc1ccc([N+](=O)[O-])cn1 ZINC000128816437 386535697 /nfs/dbraw/zinc/53/56/97/386535697.db2.gz QGABPIVBHLZPEZ-SSDOTTSWSA-N 0 0 227.289 2.153 20 5 BEBDRN O=[N+]([O-])c1cccnc1S[C@@H]1CCCOC1 ZINC000267543335 386937891 /nfs/dbraw/zinc/93/78/91/386937891.db2.gz AQNJJVZQCQNEBX-MRVPVSSYSA-N 0 0 240.284 2.261 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2nccs2)cn1 ZINC000053297534 387000571 /nfs/dbraw/zinc/00/05/71/387000571.db2.gz ZGAKFJMIKGPQNK-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN C[C@@H](CCO)CCNc1ccccc1[N+](=O)[O-] ZINC000294987040 387014827 /nfs/dbraw/zinc/01/48/27/387014827.db2.gz QCBXNNWQJVVUTL-SNVBAGLBSA-N 0 0 238.287 2.415 20 5 BEBDRN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1CCC1 ZINC000075288496 387079711 /nfs/dbraw/zinc/07/97/11/387079711.db2.gz XGHCDDOPSLKUPA-UHFFFAOYSA-N 0 0 236.227 2.039 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](F)[C@@H](F)C2)c1 ZINC000295046244 387094498 /nfs/dbraw/zinc/09/44/98/387094498.db2.gz TYRGNIILTAASOP-DTORHVGOSA-N 0 0 242.225 2.399 20 5 BEBDRN CC(C)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000161332915 387197693 /nfs/dbraw/zinc/19/76/93/387197693.db2.gz ZPVRZBILAPEVQT-UHFFFAOYSA-N 0 0 248.282 2.136 20 5 BEBDRN Cc1ccc(N[C@H](C)CCCO)c([N+](=O)[O-])c1 ZINC000088503709 387291665 /nfs/dbraw/zinc/29/16/65/387291665.db2.gz SZWBBUYHUQKNTP-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN CC/C=C/CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000295700324 387360259 /nfs/dbraw/zinc/36/02/59/387360259.db2.gz GRWKMZRQZIFCAY-ONEGZZNKSA-N 0 0 240.284 2.352 20 5 BEBDRN CC[C@H](F)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000440599929 387372600 /nfs/dbraw/zinc/37/26/00/387372600.db2.gz QQYFNCLROQXYAH-LURJTMIESA-N 0 0 248.641 2.158 20 5 BEBDRN CC[C@@H](CO)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000035606413 387373403 /nfs/dbraw/zinc/37/34/03/387373403.db2.gz HRSAFFFBNDWFML-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1nocc1COc1ccc([N+](=O)[O-])cc1 ZINC000520952218 387380782 /nfs/dbraw/zinc/38/07/82/387380782.db2.gz YWYDJUWRTSTZSK-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN CC[C@H](F)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000440581616 387343408 /nfs/dbraw/zinc/34/34/08/387343408.db2.gz DSCPOPRGCZDITM-QMMMGPOBSA-N 0 0 227.239 2.417 20 5 BEBDRN CC[C@@H](F)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000440581614 387345289 /nfs/dbraw/zinc/34/52/89/387345289.db2.gz DSCPOPRGCZDITM-MRVPVSSYSA-N 0 0 227.239 2.417 20 5 BEBDRN C[C@@H](CF)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295674814 387350805 /nfs/dbraw/zinc/35/08/05/387350805.db2.gz KTMKKDWHBUEDBJ-LURJTMIESA-N 0 0 238.222 2.241 20 5 BEBDRN CC/C=C/CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000295920101 387494353 /nfs/dbraw/zinc/49/43/53/387494353.db2.gz IXUXHWPFNZGVOA-ONEGZZNKSA-N 0 0 234.255 2.291 20 5 BEBDRN Cc1cc(C)c(OCC(C)(C)O)c([N+](=O)[O-])c1 ZINC000270141358 387494931 /nfs/dbraw/zinc/49/49/31/387494931.db2.gz QAGINFUDVHEREU-UHFFFAOYSA-N 0 0 239.271 2.361 20 5 BEBDRN Cc1sc(C(=O)N[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000075516864 387523934 /nfs/dbraw/zinc/52/39/34/387523934.db2.gz VRUHXTAAICZKTF-IYSWYEEDSA-N 0 0 240.284 2.103 20 5 BEBDRN C[C@@H](CCO)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000121736016 387529697 /nfs/dbraw/zinc/52/96/97/387529697.db2.gz XYYRWLACZXVVMK-LURJTMIESA-N 0 0 246.213 2.056 20 5 BEBDRN CC[C@@H](C)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000075505694 387492168 /nfs/dbraw/zinc/49/21/68/387492168.db2.gz MHYBBXSXZMHEPZ-SECBINFHSA-N 0 0 236.271 2.465 20 5 BEBDRN C[C@@H](NCc1ccno1)c1ccccc1[N+](=O)[O-] ZINC000224009445 387545432 /nfs/dbraw/zinc/54/54/32/387545432.db2.gz UQWTVSICUWRBOL-SECBINFHSA-N 0 0 247.254 2.434 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1NCC1(O)CCC1 ZINC000336709284 387579599 /nfs/dbraw/zinc/57/95/99/387579599.db2.gz OEGBYJBWAXNENQ-UHFFFAOYSA-N 0 0 240.234 2.061 20 5 BEBDRN CSCCN(C)c1nc(C)ccc1[N+](=O)[O-] ZINC000129513000 387773413 /nfs/dbraw/zinc/77/34/13/387773413.db2.gz ATFNRGDYMJMQRL-UHFFFAOYSA-N 0 0 241.316 2.097 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC1 ZINC000335060735 177877073 /nfs/dbraw/zinc/87/70/73/177877073.db2.gz YJMOGZIJKZZFIH-UHFFFAOYSA-N 0 0 234.255 2.058 20 5 BEBDRN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000139077075 387889748 /nfs/dbraw/zinc/88/97/48/387889748.db2.gz GIZCKUPEQSZXSB-VIFPVBQESA-N 0 0 246.270 2.169 20 5 BEBDRN Cc1cc(C(=O)N[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000015133210 177809412 /nfs/dbraw/zinc/80/94/12/177809412.db2.gz RKVMVXMQNRGEEY-SECBINFHSA-N 0 0 248.282 2.432 20 5 BEBDRN O=C(NCc1ccoc1)c1ccc([N+](=O)[O-])cc1 ZINC000045784287 387994166 /nfs/dbraw/zinc/99/41/66/387994166.db2.gz HLCCIACYHBLJNU-UHFFFAOYSA-N 0 0 246.222 2.118 20 5 BEBDRN CCCCN(CC)c1ncc([N+](=O)[O-])c(C)n1 ZINC000296532203 388003018 /nfs/dbraw/zinc/00/30/18/388003018.db2.gz NHAIDGJRSGGGEE-UHFFFAOYSA-N 0 0 238.291 2.320 20 5 BEBDRN Cc1cc(C(=O)NC[C@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000032394291 177793201 /nfs/dbraw/zinc/79/32/01/177793201.db2.gz HRTRMKZPQLRCJD-LDYMZIIASA-N 0 0 248.282 2.289 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000082257575 388019246 /nfs/dbraw/zinc/01/92/46/388019246.db2.gz VVVMBGLFFVYHLF-UHFFFAOYSA-N 0 0 231.211 2.175 20 5 BEBDRN CCCCN(CCO)c1ccc([N+](=O)[O-])cc1 ZINC000042493237 388095112 /nfs/dbraw/zinc/09/51/12/388095112.db2.gz NABHRTVEGIFSJV-UHFFFAOYSA-N 0 0 238.287 2.194 20 5 BEBDRN CCN(CCSC)c1ncccc1[N+](=O)[O-] ZINC000592001077 388146004 /nfs/dbraw/zinc/14/60/04/388146004.db2.gz QNOZYFCSQFYSBI-UHFFFAOYSA-N 0 0 241.316 2.179 20 5 BEBDRN C[C@H]1CCC[C@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596113372 388404497 /nfs/dbraw/zinc/40/44/97/388404497.db2.gz ATGWKHIYTQCYBP-JGVFFNPUSA-N 0 0 237.259 2.296 20 5 BEBDRN C[C@@H]1CCC[C@@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596113373 388404658 /nfs/dbraw/zinc/40/46/58/388404658.db2.gz ATGWKHIYTQCYBP-SFYZADRCSA-N 0 0 237.259 2.296 20 5 BEBDRN O=C(/C=C\C1CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000491945585 388352360 /nfs/dbraw/zinc/35/23/60/388352360.db2.gz OJVTUSHZBKQTEQ-YVMONPNESA-N 0 0 246.266 2.177 20 5 BEBDRN CC[C@H]1C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000227013449 388355873 /nfs/dbraw/zinc/35/58/73/388355873.db2.gz IXUKMZQNRWYSCF-YUMQZZPRSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401879741 388360163 /nfs/dbraw/zinc/36/01/63/388360163.db2.gz NMBAVEXOCOXOHY-WPRPVWTQSA-N 0 0 222.244 2.184 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCC1CCC1 ZINC000594886887 388370238 /nfs/dbraw/zinc/37/02/38/388370238.db2.gz CPWFAWBNUZDIPG-UHFFFAOYSA-N 0 0 209.249 2.290 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC[C@H]1CCSC1 ZINC000228582077 388385456 /nfs/dbraw/zinc/38/54/56/388385456.db2.gz JLDUHXZXITXFIB-MRVPVSSYSA-N 0 0 239.300 2.155 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC[C@@H]1CCSC1 ZINC000228582071 388385940 /nfs/dbraw/zinc/38/59/40/388385940.db2.gz JLDUHXZXITXFIB-QMMMGPOBSA-N 0 0 239.300 2.155 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(C)CC2)c1 ZINC000357514750 388393272 /nfs/dbraw/zinc/39/32/72/388393272.db2.gz UHIDTTAWWJVDFK-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN CSCCOc1ncc(C)cc1[N+](=O)[O-] ZINC000134218570 388395943 /nfs/dbraw/zinc/39/59/43/388395943.db2.gz INPRAIDKYBORCW-UHFFFAOYSA-N 0 0 228.273 2.040 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCC1(C)COC1 ZINC000357994068 388397056 /nfs/dbraw/zinc/39/70/56/388397056.db2.gz VVOVOSZCHRZBDJ-UHFFFAOYSA-N 0 0 237.255 2.319 20 5 BEBDRN C[C@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000134384626 388398938 /nfs/dbraw/zinc/39/89/38/388398938.db2.gz YXICDWZYKZTFQT-LDYMZIIASA-N 0 0 222.244 2.184 20 5 BEBDRN Cc1cccc(Oc2cccnn2)c1[N+](=O)[O-] ZINC000549764300 388401881 /nfs/dbraw/zinc/40/18/81/388401881.db2.gz PGECZKRNSULXJQ-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN CC[C@@](C)(CNc1ccc([N+](=O)[O-])cn1)OC ZINC000322595557 388440318 /nfs/dbraw/zinc/44/03/18/388440318.db2.gz HEXCXSDILGXNND-NSHDSACASA-N 0 0 239.275 2.217 20 5 BEBDRN C[C@@H]1C[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000170793501 388462273 /nfs/dbraw/zinc/46/22/73/388462273.db2.gz ZLTGVKIRMYYIQG-GMSGAONNSA-N 0 0 235.243 2.125 20 5 BEBDRN CC[C@H](COC)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000090692408 388470445 /nfs/dbraw/zinc/47/04/45/388470445.db2.gz DWZXTOFSANRRID-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])[C@@H]1C ZINC000596247001 388410252 /nfs/dbraw/zinc/41/02/52/388410252.db2.gz HDKOPGWKMYZFDU-RNFRBKRXSA-N 0 0 241.678 2.488 20 5 BEBDRN CCOC1CN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596246972 388410567 /nfs/dbraw/zinc/41/05/67/388410567.db2.gz GVWRTPHOFHAHFF-UHFFFAOYSA-N 0 0 242.300 2.190 20 5 BEBDRN CCN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000172739638 388410981 /nfs/dbraw/zinc/41/09/81/388410981.db2.gz FMPKVCYVTSGONE-UHFFFAOYSA-N 0 0 248.282 2.148 20 5 BEBDRN Cc1cc(N[C@@H](C)CCCO)ccc1[N+](=O)[O-] ZINC000094944807 388436088 /nfs/dbraw/zinc/43/60/88/388436088.db2.gz OYWJTHLZJPRJDY-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN CN(CC1CC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153602979 388596269 /nfs/dbraw/zinc/59/62/69/388596269.db2.gz QMSJIYIJVKTBDQ-UHFFFAOYSA-N 0 0 241.678 2.489 20 5 BEBDRN CSCCN(C)c1nccc(C)c1[N+](=O)[O-] ZINC000301587459 388596694 /nfs/dbraw/zinc/59/66/94/388596694.db2.gz XGCQDAANZGUTEF-UHFFFAOYSA-N 0 0 241.316 2.097 20 5 BEBDRN O=[N+]([O-])c1cccc2c1CCN2Cc1ccno1 ZINC000273611887 388617997 /nfs/dbraw/zinc/61/79/97/388617997.db2.gz NWSDCCKALIKKKR-UHFFFAOYSA-N 0 0 245.238 2.146 20 5 BEBDRN O=C(CC1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000298339103 388579362 /nfs/dbraw/zinc/57/93/62/388579362.db2.gz LZOBVBBRQMVXFB-UHFFFAOYSA-N 0 0 246.266 2.284 20 5 BEBDRN O=C(CC1CC1)OCc1ccc([N+](=O)[O-])cc1 ZINC000298376700 388579390 /nfs/dbraw/zinc/57/93/90/388579390.db2.gz XHPCSMCCNXTWKR-UHFFFAOYSA-N 0 0 235.239 2.438 20 5 BEBDRN CC[C@H](Cn1cc([N+](=O)[O-])c(C2CC2)n1)OC ZINC000416911497 388672271 /nfs/dbraw/zinc/67/22/71/388672271.db2.gz SWXKMOHAKOSWHK-SECBINFHSA-N 0 0 239.275 2.094 20 5 BEBDRN CC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000130945922 388676158 /nfs/dbraw/zinc/67/61/58/388676158.db2.gz YEYFJBFNPVTPQZ-JTQLQIEISA-N 0 0 248.282 2.467 20 5 BEBDRN O=[N+]([O-])c1ccc(OCc2csnn2)cc1 ZINC000554395363 388623458 /nfs/dbraw/zinc/62/34/58/388623458.db2.gz BBWOYJGMHKLENM-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@H]2C2CCC2)nc1 ZINC000273667113 388627923 /nfs/dbraw/zinc/62/79/23/388627923.db2.gz XBIXRVICDVBLSI-NSHDSACASA-N 0 0 248.286 2.154 20 5 BEBDRN Nc1ccc(-c2noc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000273694519 388629730 /nfs/dbraw/zinc/62/97/30/388629730.db2.gz MRYQFDRTJLLZSZ-UHFFFAOYSA-N 0 0 246.226 2.104 20 5 BEBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000091484517 388631928 /nfs/dbraw/zinc/63/19/28/388631928.db2.gz AWORKJKYAIEWGZ-UWVGGRQHSA-N 0 0 236.271 2.432 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC1(C)C ZINC000091554093 388636594 /nfs/dbraw/zinc/63/65/94/388636594.db2.gz XQCSZZBUIRHEOY-QMMMGPOBSA-N 0 0 238.291 2.330 20 5 BEBDRN CCCCCNc1c([N+](=O)[O-])c(CC)nn1C ZINC000091560228 388638039 /nfs/dbraw/zinc/63/80/39/388638039.db2.gz LNYHBEUSFQCVRQ-UHFFFAOYSA-N 0 0 240.307 2.493 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)CCO)c1 ZINC000094659793 388642271 /nfs/dbraw/zinc/64/22/71/388642271.db2.gz LFQRGXRHKZJVBO-JTQLQIEISA-N 0 0 238.287 2.334 20 5 BEBDRN CC[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000447070974 388734548 /nfs/dbraw/zinc/73/45/48/388734548.db2.gz VRFYOPVOQIOFKV-SECBINFHSA-N 0 0 221.260 2.226 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CC1CCCC1 ZINC000276164855 388738035 /nfs/dbraw/zinc/73/80/35/388738035.db2.gz BRCWTCRDSIKWRQ-UHFFFAOYSA-N 0 0 236.271 2.255 20 5 BEBDRN CC[C@@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299134908 388699157 /nfs/dbraw/zinc/69/91/57/388699157.db2.gz GDDPGSRVULZPPA-SFYZADRCSA-N 0 0 239.275 2.087 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H]2C2CCC2)nc1 ZINC000425283902 388703551 /nfs/dbraw/zinc/70/35/51/388703551.db2.gz PRBKQEAWWYWPLE-JQWIXIFHSA-N 0 0 247.298 2.260 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1OCc1ccon1 ZINC000115966110 388704695 /nfs/dbraw/zinc/70/46/95/388704695.db2.gz LUBINXDBICFTDE-UHFFFAOYSA-N 0 0 238.174 2.301 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCC(=O)C1CC1 ZINC000068050987 388707814 /nfs/dbraw/zinc/70/78/14/388707814.db2.gz UEAPWHNJNZUADN-UHFFFAOYSA-N 0 0 235.239 2.261 20 5 BEBDRN Cc1ccc(N(C)CC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000080650995 388711866 /nfs/dbraw/zinc/71/18/66/388711866.db2.gz YYLXTTFZGWFTEA-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN CN(C[C@@H]1CCOC1)c1sccc1[N+](=O)[O-] ZINC000301926489 388712209 /nfs/dbraw/zinc/71/22/09/388712209.db2.gz HMJUUAWXGZNREM-QMMMGPOBSA-N 0 0 242.300 2.129 20 5 BEBDRN CCC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000530916036 388717320 /nfs/dbraw/zinc/71/73/20/388717320.db2.gz IXKQDIJMMRULGW-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCCOC1 ZINC000070073052 388729078 /nfs/dbraw/zinc/72/90/78/388729078.db2.gz WNRNRZQPDNVMHX-VIFPVBQESA-N 0 0 240.234 2.325 20 5 BEBDRN Cc1cn(CCc2ccccc2)nc1[N+](=O)[O-] ZINC000281164270 388793528 /nfs/dbraw/zinc/79/35/28/388793528.db2.gz LTGARFIERINWHS-UHFFFAOYSA-N 0 0 231.255 2.342 20 5 BEBDRN CO[C@H](CNc1ncc([N+](=O)[O-])s1)C(C)C ZINC000281843834 388808722 /nfs/dbraw/zinc/80/87/22/388808722.db2.gz IYZOHVDDEUCJPV-SSDOTTSWSA-N 0 0 245.304 2.134 20 5 BEBDRN O=[N+]([O-])c1cccnc1SCC1CC1 ZINC000125255293 388778727 /nfs/dbraw/zinc/77/87/27/388778727.db2.gz XBGHFWBDJLCQTG-UHFFFAOYSA-N 0 0 210.258 2.492 20 5 BEBDRN Cc1cn(Cc2ncc(C3CC3)o2)nc1[N+](=O)[O-] ZINC000282180010 388813406 /nfs/dbraw/zinc/81/34/06/388813406.db2.gz GCCUZTNOGHTLPS-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN CCCCCn1c(C)ccc([N+](=O)[O-])c1=O ZINC000096553088 388823158 /nfs/dbraw/zinc/82/31/58/388823158.db2.gz PNFJMFNUNZAPFT-UHFFFAOYSA-N 0 0 224.260 2.255 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCC1(CCO)CC1 ZINC000157246441 388830081 /nfs/dbraw/zinc/83/00/81/388830081.db2.gz PTKWVRRBIUNLDV-UHFFFAOYSA-N 0 0 236.271 2.169 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)c(OCCCO)cc1F ZINC000285066343 388832703 /nfs/dbraw/zinc/83/27/03/388832703.db2.gz GRQPSYFBGRUWGC-UHFFFAOYSA-N 0 0 249.625 2.149 20 5 BEBDRN CCOc1ccccc1Cn1cnc([N+](=O)[O-])c1 ZINC000193257730 388837826 /nfs/dbraw/zinc/83/78/26/388837826.db2.gz UTGJHNUUOAPLRN-UHFFFAOYSA-N 0 0 247.254 2.238 20 5 BEBDRN CC(C)(C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000055797354 388848130 /nfs/dbraw/zinc/84/81/30/388848130.db2.gz AGHGLNDFQPPUJG-UHFFFAOYSA-N 0 0 236.271 2.257 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CCO[C@@H]2CCC[C@H]21 ZINC000267326225 132189455 /nfs/dbraw/zinc/18/94/55/132189455.db2.gz ZVQKFGTZPUEVNY-CHWSQXEVSA-N 0 0 248.282 2.353 20 5 BEBDRN C[C@@H]1[C@H](C)OCCN1c1ccccc1[N+](=O)[O-] ZINC000268788098 132192941 /nfs/dbraw/zinc/19/29/41/132192941.db2.gz FMDLUIKDNRXGHK-ZJUUUORDSA-N 0 0 236.271 2.208 20 5 BEBDRN C[C@@H]1OCCN(c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000268822570 132193683 /nfs/dbraw/zinc/19/36/83/132193683.db2.gz PQFRUUULBNVGEI-UWVGGRQHSA-N 0 0 236.271 2.208 20 5 BEBDRN CC1=CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000270095345 132195719 /nfs/dbraw/zinc/19/57/19/132195719.db2.gz YHJSHBARQMJTEQ-UHFFFAOYSA-N 0 0 219.244 2.146 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCOC3(CCC3)C2)cc1 ZINC000270848304 132197860 /nfs/dbraw/zinc/19/78/60/132197860.db2.gz YDZNDVZFXDUSEM-UHFFFAOYSA-N 0 0 248.282 2.354 20 5 BEBDRN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000273568519 132202268 /nfs/dbraw/zinc/20/22/68/132202268.db2.gz CXZOUDRBLRFJQF-RKDXNWHRSA-N 0 0 236.275 2.010 20 5 BEBDRN Cc1cc(N2CCC(=O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000275407744 132204832 /nfs/dbraw/zinc/20/48/32/132204832.db2.gz RZSMXFVDRZFWSW-JTQLQIEISA-N 0 0 248.282 2.319 20 5 BEBDRN C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CCC1=O ZINC000275352937 132204846 /nfs/dbraw/zinc/20/48/46/132204846.db2.gz JYSNAYQTMHPOIE-SECBINFHSA-N 0 0 234.255 2.010 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCCCO2)c1 ZINC000276020019 132205874 /nfs/dbraw/zinc/20/58/74/132205874.db2.gz KEUSYORLELGYQM-UHFFFAOYSA-N 0 0 222.244 2.435 20 5 BEBDRN Cc1cc(N2CCOC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000294985880 132220001 /nfs/dbraw/zinc/22/00/01/132220001.db2.gz PSBRJMDNGMQEBB-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN CC1=C[C@H](C)CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000362379007 132281262 /nfs/dbraw/zinc/28/12/62/132281262.db2.gz OQIORGRUAWYIPP-VIFPVBQESA-N 0 0 233.271 2.392 20 5 BEBDRN C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000019645550 132293141 /nfs/dbraw/zinc/29/31/41/132293141.db2.gz QUJOWMYHODFULF-SECBINFHSA-N 0 0 221.260 2.369 20 5 BEBDRN C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cn1 ZINC000019645553 132293184 /nfs/dbraw/zinc/29/31/84/132293184.db2.gz QUJOWMYHODFULF-VIFPVBQESA-N 0 0 221.260 2.369 20 5 BEBDRN Cc1ccc(N2CCC(=O)CC2)c([N+](=O)[O-])c1 ZINC000037115650 132343742 /nfs/dbraw/zinc/34/37/42/132343742.db2.gz DPIXPDMIRRKQTJ-UHFFFAOYSA-N 0 0 234.255 2.073 20 5 BEBDRN C[C@@H](F)CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000349840063 133918384 /nfs/dbraw/zinc/91/83/84/133918384.db2.gz NPEJAEDCOQOHRY-SSDOTTSWSA-N 0 0 227.239 2.417 20 5 BEBDRN Cc1cccc(Cn2cccc([N+](=O)[O-])c2=O)c1 ZINC000335925921 134008445 /nfs/dbraw/zinc/00/84/45/134008445.db2.gz OAFZPOQTFTYVGL-UHFFFAOYSA-N 0 0 244.250 2.113 20 5 BEBDRN C[C@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000336014515 134052795 /nfs/dbraw/zinc/05/27/95/134052795.db2.gz YRORWEMTHGBSQI-YUMQZZPRSA-N 0 0 238.243 2.058 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC2(C)C)c1 ZINC000336020834 134055567 /nfs/dbraw/zinc/05/55/67/134055567.db2.gz GXTOGVNHGFGNGO-LLVKDONJSA-N 0 0 248.282 2.432 20 5 BEBDRN C[C@H]1CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000336141709 134100791 /nfs/dbraw/zinc/10/07/91/134100791.db2.gz OLAAJNOMNPERNJ-GZMMTYOYSA-N 0 0 234.255 2.123 20 5 BEBDRN CC1(C)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352299514 134139523 /nfs/dbraw/zinc/13/95/23/134139523.db2.gz AGBFYKQPWWNMTE-SNVBAGLBSA-N 0 0 248.282 2.371 20 5 BEBDRN CC[C@@H](CCO)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218858781 134265306 /nfs/dbraw/zinc/26/53/06/134265306.db2.gz CUJLQEBIXXUIFC-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cccc(N[C@H](C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000218881872 134265594 /nfs/dbraw/zinc/26/55/94/134265594.db2.gz JJRSKEWSYJZCRL-NXEZZACHSA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1c(Nc2ncc([N+](=O)[O-])cc2C)cnn1C ZINC000181213270 134334201 /nfs/dbraw/zinc/33/42/01/134334201.db2.gz HBXFKYJSLQPJAR-UHFFFAOYSA-N 0 0 247.258 2.084 20 5 BEBDRN COCCCCCNc1ccc([N+](=O)[O-])nc1 ZINC000227526484 134382635 /nfs/dbraw/zinc/38/26/35/134382635.db2.gz MUFOYVBFBPHSLI-UHFFFAOYSA-N 0 0 239.275 2.218 20 5 BEBDRN C[C@@H]1CC[C@@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000230435272 134504778 /nfs/dbraw/zinc/50/47/78/134504778.db2.gz JHJUNVUMEBXXFB-RKDXNWHRSA-N 0 0 238.291 2.176 20 5 BEBDRN Cc1cnc(N2CCCCCO2)c([N+](=O)[O-])c1 ZINC000408289019 134676349 /nfs/dbraw/zinc/67/63/49/134676349.db2.gz BBYOBHZZZTUVBA-UHFFFAOYSA-N 0 0 237.259 2.220 20 5 BEBDRN Cc1ccnc(N2CCCCCO2)c1[N+](=O)[O-] ZINC000408291536 134681847 /nfs/dbraw/zinc/68/18/47/134681847.db2.gz OQJMGCJTCKFOFD-UHFFFAOYSA-N 0 0 237.259 2.220 20 5 BEBDRN Cc1nccnc1NCc1ccccc1[N+](=O)[O-] ZINC000214535969 134772386 /nfs/dbraw/zinc/77/23/86/134772386.db2.gz HYRPPBXJUZKPJI-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CSC[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000078665283 135131443 /nfs/dbraw/zinc/13/14/43/135131443.db2.gz LWVHUKVEDPMRGJ-MRVPVSSYSA-N 0 0 241.316 2.462 20 5 BEBDRN COCc1nc2cc3ccccc3cc2c(=O)[nH]1 ZINC000080128095 135367545 /nfs/dbraw/zinc/36/75/45/135367545.db2.gz NAGQEDUFZZWHOJ-UHFFFAOYSA-N 0 0 240.262 2.223 20 5 BEBDRN CCN(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000334432471 135405130 /nfs/dbraw/zinc/40/51/30/135405130.db2.gz LHGZNFOIJZDAMD-UHFFFAOYSA-N 0 0 247.254 2.168 20 5 BEBDRN CCC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000084776288 135474412 /nfs/dbraw/zinc/47/44/12/135474412.db2.gz AEXOLWRQBTYBJM-UHFFFAOYSA-N 0 0 245.238 2.492 20 5 BEBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000192958672 135580951 /nfs/dbraw/zinc/58/09/51/135580951.db2.gz TXGQOMLLZQUUEP-UHFFFAOYSA-N 0 0 234.255 2.219 20 5 BEBDRN CCSCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000344240314 135753849 /nfs/dbraw/zinc/75/38/49/135753849.db2.gz CESXTBQPFVOSOS-UHFFFAOYSA-N 0 0 241.316 2.422 20 5 BEBDRN Cc1ccc(C(=O)N2CC3(CC3)C2)cc1[N+](=O)[O-] ZINC000334851402 135823412 /nfs/dbraw/zinc/82/34/12/135823412.db2.gz BVEDVAZQBBINKO-UHFFFAOYSA-N 0 0 246.266 2.139 20 5 BEBDRN C[C@H]1C[C@H](C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000335258134 135988400 /nfs/dbraw/zinc/98/84/00/135988400.db2.gz CNJZQESKJDCXQY-IUCAKERBSA-N 0 0 234.255 2.218 20 5 BEBDRN O=C(CC1CC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347977944 136022804 /nfs/dbraw/zinc/02/28/04/136022804.db2.gz XPAIIRCAKGUGNM-UHFFFAOYSA-N 0 0 238.218 2.473 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2C[C@H]2C(F)F)cn1 ZINC000348217214 136046777 /nfs/dbraw/zinc/04/67/77/136046777.db2.gz JFVCVSBZIPVYPA-RQJHMYQMSA-N 0 0 229.186 2.055 20 5 BEBDRN CCC1CN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000335077025 398097955 /nfs/dbraw/zinc/09/79/55/398097955.db2.gz RNAOBFYIVPMDKE-UHFFFAOYSA-N 0 0 234.255 2.077 20 5 BEBDRN CC(C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129749805 167149522 /nfs/dbraw/zinc/14/95/22/167149522.db2.gz BFNOLAHQCVPYFI-UHFFFAOYSA-N 0 0 215.640 2.464 20 5 BEBDRN C=C=CCNc1ncc(C)cc1[N+](=O)[O-] ZINC001651891147 1173001797 /nfs/dbraw/zinc/00/17/97/1173001797.db2.gz WFQOXSFVZVXSOZ-UHFFFAOYSA-N 0 0 205.217 2.051 20 5 BEBDRN CC(C)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057835086 166711817 /nfs/dbraw/zinc/71/18/17/166711817.db2.gz IKXCXXBPMMTRIF-UHFFFAOYSA-N 0 0 234.255 2.140 20 5 BEBDRN CC(C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000005384425 167085632 /nfs/dbraw/zinc/08/56/32/167085632.db2.gz ZEOLDNWPMOYPPT-UHFFFAOYSA-N 0 0 242.662 2.386 20 5 BEBDRN Cc1ccnc(N2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301306499 411131475 /nfs/dbraw/zinc/13/14/75/411131475.db2.gz UZGKXLFPNKYZMV-QMMMGPOBSA-N 0 0 221.260 2.144 20 5 BEBDRN CC(C)C1(CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000230874418 411292524 /nfs/dbraw/zinc/29/25/24/411292524.db2.gz MCJLIGZZRUNAAY-UHFFFAOYSA-N 0 0 236.275 2.233 20 5 BEBDRN CC1(C)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000286647968 167934251 /nfs/dbraw/zinc/93/42/51/167934251.db2.gz IFZWWQAAGWCWDI-QMMMGPOBSA-N 0 0 238.243 2.106 20 5 BEBDRN CC1(C)C[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000299172292 167988076 /nfs/dbraw/zinc/98/80/76/167988076.db2.gz WAEFEQIZFXCOSV-ZETCQYMHSA-N 0 0 240.284 2.185 20 5 BEBDRN CC1(Nc2ccc([N+](=O)[O-])cn2)CCC1 ZINC000159976330 168064294 /nfs/dbraw/zinc/06/42/94/168064294.db2.gz YZIOIWCGAPKMMY-UHFFFAOYSA-N 0 0 207.233 2.344 20 5 BEBDRN CC1=CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000296223710 168104376 /nfs/dbraw/zinc/10/43/76/168104376.db2.gz DMVDYCKTYDVCIW-UHFFFAOYSA-N 0 0 240.303 2.001 20 5 BEBDRN CCC(=O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000123546691 168209134 /nfs/dbraw/zinc/20/91/34/168209134.db2.gz KGXMGCIKQQFBCK-UHFFFAOYSA-N 0 0 241.218 2.400 20 5 BEBDRN CNc1cc(Br)cc([N+](=O)[O-])c1 ZINC000306654037 411455669 /nfs/dbraw/zinc/45/56/69/411455669.db2.gz VZVLAXUPYFPIRG-UHFFFAOYSA-N 0 0 231.049 2.399 20 5 BEBDRN O=[N+]([O-])c1ccc(SC[C@H]2CCCO2)nc1 ZINC000159630476 411399374 /nfs/dbraw/zinc/39/93/74/411399374.db2.gz VOLKTWVUWSZFKI-SECBINFHSA-N 0 0 240.284 2.261 20 5 BEBDRN CCN(CCOC)c1ccc(C)cc1[N+](=O)[O-] ZINC000267002320 169867764 /nfs/dbraw/zinc/86/77/64/169867764.db2.gz ZFDDKZXIMNZVJW-UHFFFAOYSA-N 0 0 238.287 2.376 20 5 BEBDRN CN(Cc1cnccn1)c1ccccc1[N+](=O)[O-] ZINC000301305999 411437616 /nfs/dbraw/zinc/43/76/16/411437616.db2.gz YLUWLBXZTUAYSY-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN CCN(c1cc(C)ccc1[N+](=O)[O-])[C@@H](C)CO ZINC000292835490 169941778 /nfs/dbraw/zinc/94/17/78/169941778.db2.gz QCCRDUKVGZRHOY-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000232073576 170084093 /nfs/dbraw/zinc/08/40/93/170084093.db2.gz JNJRLNSQMUXORC-UHFFFAOYSA-N 0 0 237.259 2.353 20 5 BEBDRN CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000043466892 170084687 /nfs/dbraw/zinc/08/46/87/170084687.db2.gz QBRYLCPZSINJDS-UHFFFAOYSA-N 0 0 223.232 2.045 20 5 BEBDRN CCOC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000058613476 170293046 /nfs/dbraw/zinc/29/30/46/170293046.db2.gz UEFFKWXQAAGMBI-UHFFFAOYSA-N 0 0 241.268 2.493 20 5 BEBDRN CCOCCN(CC)c1ccccc1[N+](=O)[O-] ZINC000264664925 170396122 /nfs/dbraw/zinc/39/61/22/170396122.db2.gz ZHKOLHGBHKIBGC-UHFFFAOYSA-N 0 0 238.287 2.458 20 5 BEBDRN CCOCCN(CC)c1ccc([N+](=O)[O-])cc1 ZINC000264566648 170396631 /nfs/dbraw/zinc/39/66/31/170396631.db2.gz GPUBJBIEJVOUJK-UHFFFAOYSA-N 0 0 238.287 2.458 20 5 BEBDRN CCOCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227649639 170416811 /nfs/dbraw/zinc/41/68/11/170416811.db2.gz PQVYSXNTXHUDPF-UHFFFAOYSA-N 0 0 245.666 2.092 20 5 BEBDRN CC[C@@H](O)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000123425573 170936588 /nfs/dbraw/zinc/93/65/88/170936588.db2.gz LQUUBSGXFFWOJE-SNVBAGLBSA-N 0 0 224.260 2.086 20 5 BEBDRN CC[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000294131164 171021523 /nfs/dbraw/zinc/02/15/23/171021523.db2.gz UBJDLMDPVRTBNH-SNVBAGLBSA-N 0 0 234.255 2.219 20 5 BEBDRN CC[C@@H]1CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295699142 171027752 /nfs/dbraw/zinc/02/77/52/171027752.db2.gz PTQRVXDQAJLPAS-MRVPVSSYSA-N 0 0 246.270 2.460 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000281901342 171140804 /nfs/dbraw/zinc/14/08/04/171140804.db2.gz XIJKESQKKYLJBF-HTRCEHHLSA-N 0 0 240.284 2.185 20 5 BEBDRN CC[C@@](C)(O)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000060374243 171185918 /nfs/dbraw/zinc/18/59/18/171185918.db2.gz PUDINXRFYSZHIX-LLVKDONJSA-N 0 0 242.250 2.307 20 5 BEBDRN CC[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135011243 171337110 /nfs/dbraw/zinc/33/71/10/171337110.db2.gz GIRKJYSJSBFQAF-ZETCQYMHSA-N 0 0 240.234 2.262 20 5 BEBDRN CCc1cn(Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001652207908 1173044582 /nfs/dbraw/zinc/04/45/82/1173044582.db2.gz IYSUAVBDDZXAEB-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN CC[C@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274023855 171625477 /nfs/dbraw/zinc/62/54/77/171625477.db2.gz WHLXMXSWPSGHSN-WPRPVWTQSA-N 0 0 236.275 2.375 20 5 BEBDRN CC[C@H]1CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000293889620 171636683 /nfs/dbraw/zinc/63/66/83/171636683.db2.gz DYTRMMIDGWHPCL-QMMMGPOBSA-N 0 0 240.284 2.281 20 5 BEBDRN CC[C@](C)(CO)Nc1ccccc1[N+](=O)[O-] ZINC000080882190 171695456 /nfs/dbraw/zinc/69/54/56/171695456.db2.gz RBFPDDJPBVMDLK-LLVKDONJSA-N 0 0 224.260 2.168 20 5 BEBDRN CCc1nn(C)c(NCC=C(C)C)c1[N+](=O)[O-] ZINC000234147520 172038985 /nfs/dbraw/zinc/03/89/85/172038985.db2.gz JCQKHGGOWTXHGG-UHFFFAOYSA-N 0 0 238.291 2.269 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NOCC(C)C ZINC000288821847 172137353 /nfs/dbraw/zinc/13/73/53/172137353.db2.gz IEROIMZUAHKBLT-UHFFFAOYSA-N 0 0 242.279 2.119 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NCC(C)C ZINC000288205460 172137400 /nfs/dbraw/zinc/13/74/00/172137400.db2.gz TVOLINOMBOJNHH-UHFFFAOYSA-N 0 0 226.280 2.188 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NC1CC(C)C1 ZINC000289022078 172137622 /nfs/dbraw/zinc/13/76/22/172137622.db2.gz YADCHLIXOSACFJ-UHFFFAOYSA-N 0 0 238.291 2.330 20 5 BEBDRN CCn1cc(NCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000035780154 172185558 /nfs/dbraw/zinc/18/55/58/172185558.db2.gz RIHGTEQWXOEQSB-UHFFFAOYSA-N 0 0 246.270 2.423 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NCC1CCC1 ZINC000091556105 172248264 /nfs/dbraw/zinc/24/82/64/172248264.db2.gz OANBGXNOJIZSFH-UHFFFAOYSA-N 0 0 238.291 2.332 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[C@H]1C ZINC000336721968 172248304 /nfs/dbraw/zinc/24/83/04/172248304.db2.gz XSRXZKXVXFIHKA-VXNVDRBHSA-N 0 0 238.291 2.330 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[C@H]1C ZINC000159428385 172248486 /nfs/dbraw/zinc/24/84/86/172248486.db2.gz FTAOQVZWOFKEFT-APPZFPTMSA-N 0 0 238.291 2.188 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]1C ZINC000192637838 172248969 /nfs/dbraw/zinc/24/89/69/172248969.db2.gz IJMXQNVUPTUGFB-MRVPVSSYSA-N 0 0 238.291 2.108 20 5 BEBDRN CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000336508691 172341547 /nfs/dbraw/zinc/34/15/47/172341547.db2.gz JQIKWBPPYPSOFN-UHFFFAOYSA-N 0 0 245.238 2.200 20 5 BEBDRN CN(CC(C)(C)C)c1ccc([N+](=O)[O-])cn1 ZINC000263814433 172623209 /nfs/dbraw/zinc/62/32/09/172623209.db2.gz VISDIKAPFJQDTN-UHFFFAOYSA-N 0 0 223.276 2.472 20 5 BEBDRN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1CC1 ZINC000283084270 172779914 /nfs/dbraw/zinc/77/99/14/172779914.db2.gz DTMQQHNJZDWHCI-UHFFFAOYSA-N 0 0 248.282 2.006 20 5 BEBDRN CN(Cc1cccnc1)c1ccc([N+](=O)[O-])nc1 ZINC000339956885 172886225 /nfs/dbraw/zinc/88/62/25/172886225.db2.gz ONJDUNLCZFTXQX-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN COC1(CNc2ncc([N+](=O)[O-])s2)CCC1 ZINC000193851287 174006920 /nfs/dbraw/zinc/00/69/20/174006920.db2.gz ICZFBQGGPKNOMW-UHFFFAOYSA-N 0 0 243.288 2.032 20 5 BEBDRN COCC(C)(C)CNc1ccc([N+](=O)[O-])cn1 ZINC000291757552 174076247 /nfs/dbraw/zinc/07/62/47/174076247.db2.gz GIXRFQLBOHJRDD-UHFFFAOYSA-N 0 0 239.275 2.074 20 5 BEBDRN COCCC(C)(C)Nc1ccc([N+](=O)[O-])cn1 ZINC000353263851 174148110 /nfs/dbraw/zinc/14/81/10/174148110.db2.gz GSUWTFUPOUEPOK-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN COCCCCOc1ncc(C)cc1[N+](=O)[O-] ZINC000157947258 174206078 /nfs/dbraw/zinc/20/60/78/174206078.db2.gz MOKGSGOESLQBLH-UHFFFAOYSA-N 0 0 240.259 2.104 20 5 BEBDRN COCCCN(C)c1ccc([N+](=O)[O-])cc1C ZINC000266940527 174220281 /nfs/dbraw/zinc/22/02/81/174220281.db2.gz BERGGZLSTOXVHB-UHFFFAOYSA-N 0 0 238.287 2.376 20 5 BEBDRN COCCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129759598 174252069 /nfs/dbraw/zinc/25/20/69/174252069.db2.gz FGRAJQZFSMONTL-UHFFFAOYSA-N 0 0 245.666 2.092 20 5 BEBDRN COCCCOc1c(F)cccc1[N+](=O)[O-] ZINC000185181163 174256638 /nfs/dbraw/zinc/25/66/38/174256638.db2.gz UDVUMUXHNXCRNU-UHFFFAOYSA-N 0 0 229.207 2.149 20 5 BEBDRN COCCN(C)c1cc(C)c([N+](=O)[O-])cc1F ZINC000290915665 174283511 /nfs/dbraw/zinc/28/35/11/174283511.db2.gz GYCGAWODJXJCOU-UHFFFAOYSA-N 0 0 242.250 2.125 20 5 BEBDRN COCCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000035084562 174341464 /nfs/dbraw/zinc/34/14/64/174341464.db2.gz AUOZGSUCCFOCEW-UHFFFAOYSA-N 0 0 247.254 2.201 20 5 BEBDRN COCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000057881020 174369252 /nfs/dbraw/zinc/36/92/52/174369252.db2.gz OVHLAOFASZMQFM-UHFFFAOYSA-N 0 0 231.635 2.273 20 5 BEBDRN COC[C@@H](C)N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000171987322 174449110 /nfs/dbraw/zinc/44/91/10/174449110.db2.gz UOAIALNWCIPNRF-MRVPVSSYSA-N 0 0 242.250 2.205 20 5 BEBDRN CO[C@@H](C)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000224325485 174706565 /nfs/dbraw/zinc/70/65/65/174706565.db2.gz CHIPLCXKHDSBSR-VIFPVBQESA-N 0 0 224.260 2.350 20 5 BEBDRN COc1cc(Oc2ncccn2)ccc1[N+](=O)[O-] ZINC000359881839 175013460 /nfs/dbraw/zinc/01/34/60/175013460.db2.gz VLDOQSGDJMMMDX-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1OCC1CC1 ZINC000124159543 175017618 /nfs/dbraw/zinc/01/76/18/175017618.db2.gz CSWITNOLCAHIRJ-UHFFFAOYSA-N 0 0 223.228 2.392 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1Cn1ccnc1C ZINC000362341156 175017627 /nfs/dbraw/zinc/01/76/27/175017627.db2.gz VMUSOCSRDFGZKZ-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN COc1ccc(CSC)cc1[N+](=O)[O-] ZINC000105632480 175114518 /nfs/dbraw/zinc/11/45/18/175114518.db2.gz VIIAXZNPLKDOEU-UHFFFAOYSA-N 0 0 213.258 2.466 20 5 BEBDRN COc1ccc(OCCCF)c([N+](=O)[O-])c1 ZINC000152582938 175172599 /nfs/dbraw/zinc/17/25/99/175172599.db2.gz PQISJXRLICFHTC-UHFFFAOYSA-N 0 0 229.207 2.342 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1OC[C@@H](C)OC ZINC000180895368 175200958 /nfs/dbraw/zinc/20/09/58/175200958.db2.gz SXZNHQGCINCLAA-MRVPVSSYSA-N 0 0 241.243 2.017 20 5 BEBDRN COc1cccc(NCC2CC2)c1[N+](=O)[O-] ZINC000129692096 175277784 /nfs/dbraw/zinc/27/77/84/175277784.db2.gz QWMQSBSNWPRWHI-UHFFFAOYSA-N 0 0 222.244 2.425 20 5 BEBDRN COc1ccnc(Oc2cccc([N+](=O)[O-])c2)n1 ZINC000301094054 175368540 /nfs/dbraw/zinc/36/85/40/175368540.db2.gz UNBRMCHPPYZGMP-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])c2nonc21)C1CC1 ZINC000035135074 175931729 /nfs/dbraw/zinc/93/17/29/175931729.db2.gz UIVYEYQKUDQQBM-ZCFIWIBFSA-N 0 0 248.242 2.341 20 5 BEBDRN C[C@@H](O)CSc1cccc([N+](=O)[O-])c1 ZINC000313459988 175986511 /nfs/dbraw/zinc/98/65/11/175986511.db2.gz MGOIBNZZJSYGGR-SSDOTTSWSA-N 0 0 213.258 2.068 20 5 BEBDRN C[C@@H]1CCCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000274772136 176067087 /nfs/dbraw/zinc/06/70/87/176067087.db2.gz UPIQSGMALUKWOQ-SECBINFHSA-N 0 0 236.275 2.011 20 5 BEBDRN C[C@@H]1CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000173122105 176105623 /nfs/dbraw/zinc/10/56/23/176105623.db2.gz ZHOVBXMCMDWXJL-SNVBAGLBSA-N 0 0 248.282 2.148 20 5 BEBDRN C[C@@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000192471982 176111097 /nfs/dbraw/zinc/11/10/97/176111097.db2.gz OYNYXDQZBJUAPK-ZCFIWIBFSA-N 0 0 213.262 2.040 20 5 BEBDRN C[C@@H]1CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000356748037 176236129 /nfs/dbraw/zinc/23/61/29/176236129.db2.gz NHKBBWIBWDAMAU-MWLCHTKSSA-N 0 0 248.282 2.052 20 5 BEBDRN C[C@@H]1CC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000336686857 176237469 /nfs/dbraw/zinc/23/74/69/176237469.db2.gz LCLWCMLHVOQMGD-HTQZYQBOSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000294281530 176261196 /nfs/dbraw/zinc/26/11/96/176261196.db2.gz UIWVXGJQSRECPI-RKDXNWHRSA-N 0 0 234.255 2.075 20 5 BEBDRN C[C@@H]1CSC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000309507428 176357110 /nfs/dbraw/zinc/35/71/10/176357110.db2.gz WILNONDZZMKLHH-VXNVDRBHSA-N 0 0 239.300 2.153 20 5 BEBDRN C[C@@H]1C[C@@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000352912110 176389681 /nfs/dbraw/zinc/38/96/81/176389681.db2.gz JBHLAYXLHNXACZ-MWLCHTKSSA-N 0 0 248.282 2.257 20 5 BEBDRN C[C@@H]1C[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000043146123 176395289 /nfs/dbraw/zinc/39/52/89/176395289.db2.gz CLUZGQLRJCMQQR-RKDXNWHRSA-N 0 0 249.270 2.372 20 5 BEBDRN C[C@@H]1C[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000282238393 176397787 /nfs/dbraw/zinc/39/77/87/176397787.db2.gz PVZYQPWSWFULLA-HTQZYQBOSA-N 0 0 221.260 2.245 20 5 BEBDRN C[C@H](CO)SCc1ccc([N+](=O)[O-])c(F)c1 ZINC000162328872 176708164 /nfs/dbraw/zinc/70/81/64/176708164.db2.gz CRPGGSYESFONDO-SSDOTTSWSA-N 0 0 245.275 2.348 20 5 BEBDRN C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000299707959 177154955 /nfs/dbraw/zinc/15/49/55/177154955.db2.gz HMEAMDZYKOQNCH-VIFPVBQESA-N 0 0 234.255 2.077 20 5 BEBDRN C[C@H]1CC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000336705127 177195810 /nfs/dbraw/zinc/19/58/10/177195810.db2.gz RAOQMUKKVHHAGC-CBAPKCEASA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000293899622 177218188 /nfs/dbraw/zinc/21/81/88/177218188.db2.gz BWVDPGUTDIIVJD-UWVGGRQHSA-N 0 0 248.282 2.004 20 5 BEBDRN C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000294148973 177218437 /nfs/dbraw/zinc/21/84/37/177218437.db2.gz OPNTTYDPGJIWIX-UWVGGRQHSA-N 0 0 248.282 2.004 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000294281525 177227580 /nfs/dbraw/zinc/22/75/80/177227580.db2.gz UIWVXGJQSRECPI-DTWKUNHWSA-N 0 0 234.255 2.075 20 5 BEBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000267778761 177227624 /nfs/dbraw/zinc/22/76/24/177227624.db2.gz PTUBFXPUUBWKOD-UWVGGRQHSA-N 0 0 248.282 2.323 20 5 BEBDRN C[C@H]1COCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000359979567 177289652 /nfs/dbraw/zinc/28/96/52/177289652.db2.gz SWNSVDNSVRIVMY-SNVBAGLBSA-N 0 0 236.271 2.068 20 5 BEBDRN C[C@@H]1C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000336462079 177319930 /nfs/dbraw/zinc/31/99/30/177319930.db2.gz ANMNUDCAUGIXNJ-AOOOYVTPSA-N 0 0 248.282 2.147 20 5 BEBDRN C[C@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000134384663 177403116 /nfs/dbraw/zinc/40/31/16/177403116.db2.gz YXICDWZYKZTFQT-KCJUWKMLSA-N 0 0 222.244 2.184 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCC1=CCOCC1 ZINC000397821662 262936002 /nfs/dbraw/zinc/93/60/02/262936002.db2.gz HOIRZEKLJNZXOU-UHFFFAOYSA-N 0 0 234.255 2.353 20 5 BEBDRN C[C@@H]1C[C@H](C)N1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000560208993 322983975 /nfs/dbraw/zinc/98/39/75/322983975.db2.gz WNHCJLSFMWNLFS-OCAPTIKFSA-N 0 0 246.270 2.458 20 5 BEBDRN C[C@H]1C[C@@H]1c1noc(-c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000570094640 323049672 /nfs/dbraw/zinc/04/96/72/323049672.db2.gz JJRWOVZDILTOKL-FSPLSTOPSA-N 0 0 234.215 2.096 20 5 BEBDRN Cc1nocc1COc1ncc(C)cc1[N+](=O)[O-] ZINC000570151690 323051097 /nfs/dbraw/zinc/05/10/97/323051097.db2.gz YIYXZXYRXJKIKU-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2(CF)CCC2)s1 ZINC000570393474 323058270 /nfs/dbraw/zinc/05/82/70/323058270.db2.gz RDHFSWJWXPLHIT-UHFFFAOYSA-N 0 0 231.252 2.355 20 5 BEBDRN CCCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)C ZINC000570648692 323065911 /nfs/dbraw/zinc/06/59/11/323065911.db2.gz LMXOSBJIXXGPJH-UHFFFAOYSA-N 0 0 239.275 2.184 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NCC1CC(C)(C)C1 ZINC000547710631 323302780 /nfs/dbraw/zinc/30/27/80/323302780.db2.gz NRWITSRRECKIAE-UHFFFAOYSA-N 0 0 238.291 2.176 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1[C@@H](C)C[C@@H]1C ZINC000530431642 324595577 /nfs/dbraw/zinc/59/55/77/324595577.db2.gz OQTZJEIVMANDAT-IUCAKERBSA-N 0 0 221.260 2.285 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N(C)CC(F)F)n1 ZINC000543791388 325113880 /nfs/dbraw/zinc/11/38/80/325113880.db2.gz GIRNBBYPGQVQPA-UHFFFAOYSA-N 0 0 245.229 2.308 20 5 BEBDRN C[C@H]1C[C@@H]1c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000545062974 325174502 /nfs/dbraw/zinc/17/45/02/325174502.db2.gz LDYMIMFWDQASBU-XPUUQOCRSA-N 0 0 248.242 2.107 20 5 BEBDRN Cc1nc(COc2ncc(C)cc2[N+](=O)[O-])co1 ZINC000564296806 325248932 /nfs/dbraw/zinc/24/89/32/325248932.db2.gz CVFYLVXAEYAILR-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN C[C@H]1C[C@H]1c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000547183154 325330470 /nfs/dbraw/zinc/33/04/70/325330470.db2.gz RTXPUPAQQBZWSW-POYBYMJQSA-N 0 0 246.226 2.163 20 5 BEBDRN CC1(C)CC(CNc2ccc([N+](=O)[O-])cn2)C1 ZINC000547709216 325386844 /nfs/dbraw/zinc/38/68/44/325386844.db2.gz MUEHGRBTGKTYKD-UHFFFAOYSA-N 0 0 235.287 2.260 20 5 BEBDRN C[C@H](CO)SCc1ccc([N+](=O)[O-])cc1 ZINC000079085634 325441992 /nfs/dbraw/zinc/44/19/92/325441992.db2.gz MWBZDIATJIIWGP-MRVPVSSYSA-N 0 0 227.285 2.209 20 5 BEBDRN CN(Cc1ccccc1[N+](=O)[O-])c1cccnn1 ZINC000548746807 325477219 /nfs/dbraw/zinc/47/72/19/325477219.db2.gz YFRVXOJJJQKBQO-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN C[C@@H]1C[C@@H](C)N1c1ncc([N+](=O)[O-])cc1F ZINC000567450615 326194764 /nfs/dbraw/zinc/19/47/64/326194764.db2.gz XJZIMADQFVVROF-RNFRBKRXSA-N 0 0 225.223 2.116 20 5 BEBDRN CC[C@@H](COc1ncc(C)cc1[N+](=O)[O-])OC ZINC000416924158 488089629 /nfs/dbraw/zinc/08/96/29/488089629.db2.gz OXONIIWPAWGDGB-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1nn(Cc2cccc(C)n2)c(C)c1[N+](=O)[O-] ZINC000345444376 490374110 /nfs/dbraw/zinc/37/41/10/490374110.db2.gz WJGPONNQIFXSHO-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN Cc1ccc(C(=O)OC[C@H](C)[N+](=O)[O-])cc1C ZINC000813111734 582588861 /nfs/dbraw/zinc/58/88/61/582588861.db2.gz WLUQRRLSQSNDIX-JTQLQIEISA-N 0 0 237.255 2.125 20 5 BEBDRN Cc1ccc(C(=O)OC[C@@H](C)[N+](=O)[O-])cc1C ZINC000813111738 582588880 /nfs/dbraw/zinc/58/88/80/582588880.db2.gz WLUQRRLSQSNDIX-SNVBAGLBSA-N 0 0 237.255 2.125 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NCC1(C)CCCC1 ZINC000892427684 582884596 /nfs/dbraw/zinc/88/45/96/582884596.db2.gz TXZUOWOZCZPUKJ-UHFFFAOYSA-N 0 0 238.291 2.321 20 5 BEBDRN CC(C)C(=O)CSc1ccc([N+](=O)[O-])cn1 ZINC000178766574 527456201 /nfs/dbraw/zinc/45/62/01/527456201.db2.gz RXXOXOIKMZXZTK-UHFFFAOYSA-N 0 0 240.284 2.307 20 5 BEBDRN CCO/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000492978656 528500051 /nfs/dbraw/zinc/50/00/51/528500051.db2.gz DGVOBVJAZYNFAR-VOTSOKGWSA-N 0 0 236.227 2.084 20 5 BEBDRN CCN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491026476 529109750 /nfs/dbraw/zinc/10/97/50/529109750.db2.gz UNEPWQMKEDGVNN-TWGQIWQCSA-N 0 0 234.255 2.086 20 5 BEBDRN CCCC[C@@H](CC)Cn1cnc([N+](=O)[O-])n1 ZINC000077250501 535349371 /nfs/dbraw/zinc/34/93/71/535349371.db2.gz HVVGSHMZQRTNOV-SECBINFHSA-N 0 0 226.280 2.403 20 5 BEBDRN CC(C)[C@@]1(C)C[C@@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000894160799 583321766 /nfs/dbraw/zinc/32/17/66/583321766.db2.gz CVGNBMWUSDSYIG-GXSJLCMTSA-N 0 0 238.291 2.175 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@@H]2C)n1 ZINC000853650369 588752240 /nfs/dbraw/zinc/75/22/40/588752240.db2.gz PHEKNBIRQPOBCB-CBAPKCEASA-N 0 0 221.260 2.143 20 5 BEBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000853650341 588752309 /nfs/dbraw/zinc/75/23/09/588752309.db2.gz OXWZPRFUZCQLQP-IUCAKERBSA-N 0 0 206.245 2.439 20 5 BEBDRN CC1=NO[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000853660469 588753220 /nfs/dbraw/zinc/75/32/20/588753220.db2.gz GNUCNOOVUQVCGX-LLVKDONJSA-N 0 0 235.243 2.172 20 5 BEBDRN CC1=NO[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000853660335 588753382 /nfs/dbraw/zinc/75/33/82/588753382.db2.gz BTEVMWHTGSIAAY-VIFPVBQESA-N 0 0 235.243 2.172 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1C[C@H](O)C1 ZINC000853982822 588770615 /nfs/dbraw/zinc/77/06/15/588770615.db2.gz ONICYXSUGXAUTB-ZKCHVHJHSA-N 0 0 242.662 2.183 20 5 BEBDRN CC/C(C)=C\C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854496380 588789461 /nfs/dbraw/zinc/78/94/61/588789461.db2.gz KHLUTDXELZAHCD-VURMDHGXSA-N 0 0 249.270 2.472 20 5 BEBDRN O=C(N[C@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000855416145 588831947 /nfs/dbraw/zinc/83/19/47/588831947.db2.gz HOGNQERRVBNTKP-JTQLQIEISA-N 0 0 232.239 2.043 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@@H]3C[C@@H]32)c(Cl)c1 ZINC000804687551 582525695 /nfs/dbraw/zinc/52/56/95/582525695.db2.gz BPIOTGKLPMPNND-MUWHJKNJSA-N 0 0 239.662 2.242 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC000804689321 582526979 /nfs/dbraw/zinc/52/69/79/582526979.db2.gz NABHHCJXCRVCIY-OIBJUYFYSA-N 0 0 249.226 2.102 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C=CCC1 ZINC000855427523 588834001 /nfs/dbraw/zinc/83/40/01/588834001.db2.gz ZWTAXEUEVONLQQ-SNVBAGLBSA-N 0 0 246.266 2.352 20 5 BEBDRN C[C@@H]1CC=CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000890771345 582552767 /nfs/dbraw/zinc/55/27/67/582552767.db2.gz PNKSWWMKIZWIDJ-RKDXNWHRSA-N 0 0 249.270 2.007 20 5 BEBDRN C[C@H](COC(=O)C[C@H]1CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813106242 582581668 /nfs/dbraw/zinc/58/16/68/582581668.db2.gz BFJDZXRXUGUSMG-BBBLOLIVSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](CC1CCCC1)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813107697 582583980 /nfs/dbraw/zinc/58/39/80/582583980.db2.gz ULSIZBNEBOMKOZ-ZJUUUORDSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@@H]1CCCC[C@@H]1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813110734 582588099 /nfs/dbraw/zinc/58/80/99/582588099.db2.gz IHKVBMLUOWTVCJ-MXWKQRLJSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@@H](COC(=O)C1(C)CCCCC1)[N+](=O)[O-] ZINC000813113820 582590976 /nfs/dbraw/zinc/59/09/76/582590976.db2.gz JOQQVIGKKSNMPC-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN C[C@H](COC(=O)[C@H]1CCCC(C)(C)C1)[N+](=O)[O-] ZINC000813115377 582591943 /nfs/dbraw/zinc/59/19/43/582591943.db2.gz QIABZMZBALVLNZ-ZJUUUORDSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H]1CCC[C@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000891761651 582717477 /nfs/dbraw/zinc/71/74/77/582717477.db2.gz CRGVZUGKSIGZKU-IUCAKERBSA-N 0 0 238.291 2.319 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NCC1CC(C)(C)C1 ZINC000893374825 583131557 /nfs/dbraw/zinc/13/15/57/583131557.db2.gz UJCKJWXAHSCOOR-UHFFFAOYSA-N 0 0 238.291 2.176 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NCC[C@@H](C)F ZINC000893982375 583265761 /nfs/dbraw/zinc/26/57/61/583265761.db2.gz SSXBATNLFMEZKM-SSDOTTSWSA-N 0 0 243.238 2.158 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000814037418 583335130 /nfs/dbraw/zinc/33/51/30/583335130.db2.gz ACLBINOKEGSBMZ-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1cccc(Cl)c1 ZINC000814037792 583335165 /nfs/dbraw/zinc/33/51/65/583335165.db2.gz GPXSCRUEVHARSK-ZETCQYMHSA-N 0 0 243.646 2.162 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000814037421 583335405 /nfs/dbraw/zinc/33/54/05/583335405.db2.gz ACLBINOKEGSBMZ-MXWKQRLJSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CCCC[C@H]1C ZINC000814039671 583337313 /nfs/dbraw/zinc/33/73/13/583337313.db2.gz VISMNIQWMJETFJ-MXWKQRLJSA-N 0 0 243.303 2.411 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NCC(C)(C)F ZINC000894856799 583532684 /nfs/dbraw/zinc/53/26/84/583532684.db2.gz OCAZRAQECRGBAA-UHFFFAOYSA-N 0 0 243.238 2.158 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NCCCCC1CC1 ZINC000895018941 583569333 /nfs/dbraw/zinc/56/93/33/583569333.db2.gz VODJSCASWRGYRN-UHFFFAOYSA-N 0 0 238.291 2.321 20 5 BEBDRN Cc1cc(N2CC[C@@H](CF)C2)ncc1[N+](=O)[O-] ZINC000882840890 583645961 /nfs/dbraw/zinc/64/59/61/583645961.db2.gz HJLPSPUCFKDNSA-VIFPVBQESA-N 0 0 239.250 2.094 20 5 BEBDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000895536772 583686783 /nfs/dbraw/zinc/68/67/83/583686783.db2.gz HQJJDFPJKKGAHA-BDNRQGISSA-N 0 0 248.286 2.028 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000895755101 583720557 /nfs/dbraw/zinc/72/05/57/583720557.db2.gz SRDWBGPGHVWTGA-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN CCCN(CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000727820815 583777781 /nfs/dbraw/zinc/77/77/81/583777781.db2.gz CYYSSWMEHAJZFA-UHFFFAOYSA-N 0 0 240.307 2.098 20 5 BEBDRN Cc1cc(N2CCCC(=O)[C@H]2C)ccc1[N+](=O)[O-] ZINC000896334779 583792292 /nfs/dbraw/zinc/79/22/92/583792292.db2.gz DTKFDCWDYQBUGP-SNVBAGLBSA-N 0 0 248.282 2.461 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NCC(C)(C)C1CC1 ZINC000896782908 583832931 /nfs/dbraw/zinc/83/29/31/583832931.db2.gz FLRFCDDAPCTJNM-UHFFFAOYSA-N 0 0 238.291 2.176 20 5 BEBDRN Nc1ccc(N[C@@H]2C[C@@H]3CCC[C@@H]23)nc1[N+](=O)[O-] ZINC000897177073 583889933 /nfs/dbraw/zinc/88/99/33/583889933.db2.gz JFHBMTPHQQVLCC-QXFUBDJGSA-N 0 0 248.286 2.173 20 5 BEBDRN O=c1[nH]ccc(N[C@@H]2C[C@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000897177521 583890621 /nfs/dbraw/zinc/89/06/21/583890621.db2.gz QQKGZGABYDNIQL-KHQFGBGNSA-N 0 0 249.270 2.296 20 5 BEBDRN C[C@@H]1CCCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000751961821 583942245 /nfs/dbraw/zinc/94/22/45/583942245.db2.gz UZWJKMQBDWMZOJ-SECBINFHSA-N 0 0 246.270 2.231 20 5 BEBDRN CC[C@@H](C)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000729078574 583952476 /nfs/dbraw/zinc/95/24/76/583952476.db2.gz QMZODFJWHPTTGE-SECBINFHSA-N 0 0 237.255 2.479 20 5 BEBDRN Cn1c(C(=O)OCC(C)(C)C)ccc1[N+](=O)[O-] ZINC000729097027 583956890 /nfs/dbraw/zinc/95/68/90/583956890.db2.gz FPEFLNBKNYIVLE-UHFFFAOYSA-N 0 0 240.259 2.136 20 5 BEBDRN CC(=O)OCc1cc([N+](=O)[O-])ccc1Cl ZINC000116062445 588949877 /nfs/dbraw/zinc/94/98/77/588949877.db2.gz SESOLLOQXFQPEM-UHFFFAOYSA-N 0 0 229.619 2.311 20 5 BEBDRN O=[N+]([O-])CCOc1cccc(Br)c1 ZINC000899231550 584183026 /nfs/dbraw/zinc/18/30/26/584183026.db2.gz REWZWTSBENPWJJ-UHFFFAOYSA-N 0 0 246.060 2.105 20 5 BEBDRN O=[N+]([O-])CCOc1ccc(Cl)cc1F ZINC000899230470 584183047 /nfs/dbraw/zinc/18/30/47/584183047.db2.gz HZIAUKAFTVUTBI-UHFFFAOYSA-N 0 0 219.599 2.135 20 5 BEBDRN O=[N+]([O-])CCOc1ccc2c(c1)CCCC2 ZINC000899230141 584183122 /nfs/dbraw/zinc/18/31/22/584183122.db2.gz DSLILSIGFVVWIL-UHFFFAOYSA-N 0 0 221.256 2.221 20 5 BEBDRN CCC(=O)c1ccc(OCC[N+](=O)[O-])c(F)c1 ZINC000899231998 584183448 /nfs/dbraw/zinc/18/34/48/584183448.db2.gz WASCRJBKJSDIKV-UHFFFAOYSA-N 0 0 241.218 2.074 20 5 BEBDRN CC(C)Oc1cc(F)ccc1OCC[N+](=O)[O-] ZINC000899232537 584183630 /nfs/dbraw/zinc/18/36/30/584183630.db2.gz PVCRIGLGRXHTLB-UHFFFAOYSA-N 0 0 243.234 2.268 20 5 BEBDRN O=[N+]([O-])CCOc1cccc(C2CC2)c1 ZINC000899232692 584183689 /nfs/dbraw/zinc/18/36/89/584183689.db2.gz SNWJXCHUEJEOFT-UHFFFAOYSA-N 0 0 207.229 2.220 20 5 BEBDRN CCCc1nc2ccccc2n1CC[N+](=O)[O-] ZINC000899859070 584242901 /nfs/dbraw/zinc/24/29/01/584242901.db2.gz GFSFGBGVMVDRRH-UHFFFAOYSA-N 0 0 233.271 2.266 20 5 BEBDRN Cc1cnc(SCC[N+](=O)[O-])c(C)c1 ZINC000899893660 584248862 /nfs/dbraw/zinc/24/88/62/584248862.db2.gz UWMPWQDWMIBKND-UHFFFAOYSA-N 0 0 212.274 2.067 20 5 BEBDRN O=[N+]([O-])CCSc1nc2cnccc2s1 ZINC000899893945 584249026 /nfs/dbraw/zinc/24/90/26/584249026.db2.gz XTAMWOJCVONCAT-UHFFFAOYSA-N 0 0 241.297 2.060 20 5 BEBDRN Cc1ccc(N2CC3(C2)CCCO3)c([N+](=O)[O-])c1 ZINC000858722417 588975046 /nfs/dbraw/zinc/97/50/46/588975046.db2.gz XHGGANKRDQDRCW-UHFFFAOYSA-N 0 0 248.282 2.272 20 5 BEBDRN CC1(c2noc([C@@H]3CC3[N+](=O)[O-])n2)CCCC1 ZINC000858854516 588978813 /nfs/dbraw/zinc/97/88/13/588978813.db2.gz CDROXDOWVAJYIK-HTQZYQBOSA-N 0 0 237.259 2.034 20 5 BEBDRN CC(C)c1ccccc1Cn1cnc([N+](=O)[O-])n1 ZINC000901472140 584452046 /nfs/dbraw/zinc/45/20/46/584452046.db2.gz DENMDBJPDXMCEY-UHFFFAOYSA-N 0 0 246.270 2.358 20 5 BEBDRN O=[N+]([O-])c1cc(CSC2COC2)cs1 ZINC000901642492 584473848 /nfs/dbraw/zinc/47/38/48/584473848.db2.gz AUWOLSJKGBVTCF-UHFFFAOYSA-N 0 0 231.298 2.288 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1CSC1COC1 ZINC000901642605 584474095 /nfs/dbraw/zinc/47/40/95/584474095.db2.gz ODQNIAZVMHUBRB-UHFFFAOYSA-N 0 0 243.259 2.366 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@H]2C[C@]23CCOC3)cc1 ZINC000902117898 584527848 /nfs/dbraw/zinc/52/78/48/584527848.db2.gz XMNNSXDXAFAWRU-MFKMUULPSA-N 0 0 249.266 2.400 20 5 BEBDRN O=[N+]([O-])c1ncccc1Cn1cc(C2CC2)cn1 ZINC000902467110 584614603 /nfs/dbraw/zinc/61/46/03/584614603.db2.gz NQSMTUMHVVUAOP-UHFFFAOYSA-N 0 0 244.254 2.112 20 5 BEBDRN C[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC000842327232 584892233 /nfs/dbraw/zinc/89/22/33/584892233.db2.gz ICCKWJRRIJRZOV-JMJZKYOTSA-N 0 0 241.287 2.164 20 5 BEBDRN O=C(OC1CC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000842341160 584892468 /nfs/dbraw/zinc/89/24/68/584892468.db2.gz MRYOIEPSLLXCLV-NWDGAFQWSA-N 0 0 247.250 2.404 20 5 BEBDRN O=C(O[C@H]1C=CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000733385914 584947910 /nfs/dbraw/zinc/94/79/10/584947910.db2.gz RCDACGNVYZCLOF-QMMMGPOBSA-N 0 0 237.211 2.453 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CC(F)(F)C(F)F ZINC000736439180 585002369 /nfs/dbraw/zinc/00/23/69/585002369.db2.gz ZZVPAPMBILCRTI-UHFFFAOYSA-N 0 0 241.144 2.000 20 5 BEBDRN CC(C)CCCCC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000838964421 585082595 /nfs/dbraw/zinc/08/25/95/585082595.db2.gz JDVNFRYDCRXALY-SNVBAGLBSA-N 0 0 231.292 2.411 20 5 BEBDRN Cc1ccc(N(C)Cc2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000747219934 585177096 /nfs/dbraw/zinc/17/70/96/585177096.db2.gz HQZAJGWLYVOGGF-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN CCN1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000754110629 585278663 /nfs/dbraw/zinc/27/86/63/585278663.db2.gz XGCAFNROXBMARO-UHFFFAOYSA-N 0 0 206.245 2.286 20 5 BEBDRN CC[C@H](C)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000756338159 585318016 /nfs/dbraw/zinc/31/80/16/585318016.db2.gz VYJJVUDWCPOYPX-ZETCQYMHSA-N 0 0 227.216 2.391 20 5 BEBDRN O=[N+]([O-])c1ccc(OC/C=C/Cl)cc1CO ZINC000757985735 585348147 /nfs/dbraw/zinc/34/81/47/585348147.db2.gz LBNSJGQUYHERLD-DAFODLJHSA-N 0 0 243.646 2.218 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2C[C@H]21 ZINC000761090286 585407932 /nfs/dbraw/zinc/40/79/32/585407932.db2.gz HWSVWTKNNWZFNW-JOYOIKCWSA-N 0 0 248.282 2.198 20 5 BEBDRN C[C@H](C(=O)OCCF)c1cccc([N+](=O)[O-])c1 ZINC000763991753 585458456 /nfs/dbraw/zinc/45/84/56/585458456.db2.gz FHDCCQQLGOSNHS-QMMMGPOBSA-N 0 0 241.218 2.211 20 5 BEBDRN CC1CN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000768490303 585539396 /nfs/dbraw/zinc/53/93/96/585539396.db2.gz DOHXCKVOBBIMSE-UHFFFAOYSA-N 0 0 210.208 2.190 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC=CCC2)n1 ZINC000778592296 585738128 /nfs/dbraw/zinc/73/81/28/585738128.db2.gz ZASMTNGFNRHTMS-UHFFFAOYSA-N 0 0 219.244 2.065 20 5 BEBDRN CCC(=O)OCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000778743557 585740008 /nfs/dbraw/zinc/74/00/08/585740008.db2.gz PCGLLBZIRLNRJB-UHFFFAOYSA-N 0 0 239.227 2.057 20 5 BEBDRN CC[C@H](C)OC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780071454 585771581 /nfs/dbraw/zinc/77/15/81/585771581.db2.gz HRIFGWIPLKGIAI-ZETCQYMHSA-N 0 0 239.227 2.256 20 5 BEBDRN CCON(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000780661615 585782767 /nfs/dbraw/zinc/78/27/67/585782767.db2.gz YLAZJLJQCQQLNM-UHFFFAOYSA-N 0 0 238.243 2.185 20 5 BEBDRN CON(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000782459869 585818835 /nfs/dbraw/zinc/81/88/35/585818835.db2.gz XLTDJPHAOUDUGH-UHFFFAOYSA-N 0 0 230.651 2.241 20 5 BEBDRN O=C(CCc1cccc([N+](=O)[O-])c1)OC1CC1 ZINC000783193018 585829779 /nfs/dbraw/zinc/82/97/79/585829779.db2.gz YUVBQKDPNVYFMW-UHFFFAOYSA-N 0 0 235.239 2.233 20 5 BEBDRN CCN(C)C(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000783894246 585845439 /nfs/dbraw/zinc/84/54/39/585845439.db2.gz GQLNOJXKRSRLJB-MDZDMXLPSA-N 0 0 248.282 2.476 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NC12CCC(CC1)C2 ZINC000784206934 585852807 /nfs/dbraw/zinc/85/28/07/585852807.db2.gz TYZBVHOLAOAAKB-UHFFFAOYSA-N 0 0 236.275 2.073 20 5 BEBDRN Cc1cc(COc2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000786866801 585898129 /nfs/dbraw/zinc/89/81/29/585898129.db2.gz WVFAQAMTBYKDPQ-UHFFFAOYSA-N 0 0 249.226 2.052 20 5 BEBDRN CC1(F)CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000795193559 586071316 /nfs/dbraw/zinc/07/13/16/586071316.db2.gz ARBMULFRPWGYFH-UHFFFAOYSA-N 0 0 210.208 2.143 20 5 BEBDRN Cc1cc[nH]c1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000797801071 586131817 /nfs/dbraw/zinc/13/18/17/586131817.db2.gz WNGSLSRJXSESDJ-UHFFFAOYSA-N 0 0 246.222 2.451 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(NC[C@H]2CCC=CO2)c1 ZINC000800868951 586235121 /nfs/dbraw/zinc/23/51/21/586235121.db2.gz RXJZLHWZOMKZIX-SNVBAGLBSA-N 0 0 249.270 2.282 20 5 BEBDRN CCCN(C)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804391235 586394360 /nfs/dbraw/zinc/39/43/60/586394360.db2.gz JZLMADPHLKTLIL-UHFFFAOYSA-N 0 0 239.231 2.349 20 5 BEBDRN C[C@@H]1C[C@H]1Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804428457 586395449 /nfs/dbraw/zinc/39/54/49/586395449.db2.gz SPXDQUKQIKENAL-RNFRBKRXSA-N 0 0 237.215 2.323 20 5 BEBDRN CC1=CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804579719 586400138 /nfs/dbraw/zinc/40/01/38/586400138.db2.gz MKJHUIXUEQPAII-UHFFFAOYSA-N 0 0 233.271 2.333 20 5 BEBDRN Nc1ccc(N2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000804596656 586401934 /nfs/dbraw/zinc/40/19/34/586401934.db2.gz QEDTYIRFOQARDQ-UHFFFAOYSA-N 0 0 243.213 2.022 20 5 BEBDRN Nc1ccc(N2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000811841424 586567653 /nfs/dbraw/zinc/56/76/53/586567653.db2.gz GEPGIWBMQOVOCD-QMMMGPOBSA-N 0 0 239.250 2.115 20 5 BEBDRN CC(C)(F)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812812163 586587263 /nfs/dbraw/zinc/58/72/63/586587263.db2.gz ZGKNYDZAAMOZAA-UHFFFAOYSA-N 0 0 245.254 2.262 20 5 BEBDRN CC(C)C[C@H](C)CC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813102147 586591934 /nfs/dbraw/zinc/59/19/34/586591934.db2.gz OGMCVVKGZVBXSC-VHSXEESVSA-N 0 0 231.292 2.267 20 5 BEBDRN CCCC[C@@H](CC)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813105081 586592599 /nfs/dbraw/zinc/59/25/99/586592599.db2.gz JNTYPZWUCGODCR-NXEZZACHSA-N 0 0 231.292 2.411 20 5 BEBDRN CCC[C@H](C(=O)OC[C@@H](C)[N+](=O)[O-])C(C)C ZINC000813106597 586592608 /nfs/dbraw/zinc/59/26/08/586592608.db2.gz FQRVGLBAXGUNGE-ZJUUUORDSA-N 0 0 231.292 2.267 20 5 BEBDRN CCCc1occc1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813106156 586592695 /nfs/dbraw/zinc/59/26/95/586592695.db2.gz ZPRRCWHDTNYMKE-MRVPVSSYSA-N 0 0 241.243 2.054 20 5 BEBDRN Cc1oc(C)c(C(=O)OC[C@@H](C)[N+](=O)[O-])c1C ZINC000813107184 586592903 /nfs/dbraw/zinc/59/29/03/586592903.db2.gz LOLFCUFCMSYACK-ZCFIWIBFSA-N 0 0 241.243 2.027 20 5 BEBDRN CCCC(CCC)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813109242 586593028 /nfs/dbraw/zinc/59/30/28/586593028.db2.gz HFXBGIIJTCGJEF-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@@H](COC(=O)c1csc(Cl)c1)[N+](=O)[O-] ZINC000813109344 586593368 /nfs/dbraw/zinc/59/33/68/586593368.db2.gz ITTAUZCUADCUMH-YFKPBYRVSA-N 0 0 249.675 2.224 20 5 BEBDRN CCCCCCC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813110969 586593468 /nfs/dbraw/zinc/59/34/68/586593468.db2.gz NFVIHAVQSFQAMT-VIFPVBQESA-N 0 0 217.265 2.165 20 5 BEBDRN C[C@@H](COC(=O)[C@@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813111035 586593544 /nfs/dbraw/zinc/59/35/44/586593544.db2.gz ATWOASMYDCPDAZ-KXUCPTDWSA-N 0 0 229.276 2.021 20 5 BEBDRN Cc1cc(C(=O)OC[C@@H](C)[N+](=O)[O-])sc1C ZINC000813112441 586593721 /nfs/dbraw/zinc/59/37/21/586593721.db2.gz HFKLOZGFOPMAJW-SSDOTTSWSA-N 0 0 243.284 2.187 20 5 BEBDRN CCCC(C)(C)CC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813114412 586594035 /nfs/dbraw/zinc/59/40/35/586594035.db2.gz RECJFJQZVLTTTQ-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@H](COC(=O)CCCC(C)(C)C)[N+](=O)[O-] ZINC000813115704 586594427 /nfs/dbraw/zinc/59/44/27/586594427.db2.gz YFMMOKMBRRUSKR-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1ccccc1Cl ZINC000814036069 586611983 /nfs/dbraw/zinc/61/19/83/586611983.db2.gz GBBZABZAWJORCQ-ZETCQYMHSA-N 0 0 243.646 2.162 20 5 BEBDRN CC(C)c1ccoc1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814037073 586612245 /nfs/dbraw/zinc/61/22/45/586612245.db2.gz QQIVNKYJLDOWKP-MRVPVSSYSA-N 0 0 241.243 2.225 20 5 BEBDRN Cc1ccc(C(=O)O[C@H](C)C[N+](=O)[O-])c(C)c1 ZINC000814042805 586612633 /nfs/dbraw/zinc/61/26/33/586612633.db2.gz ODUHNDQVIGIUFD-SNVBAGLBSA-N 0 0 237.255 2.125 20 5 BEBDRN CCCC[C@@H](C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814044850 586612710 /nfs/dbraw/zinc/61/27/10/586612710.db2.gz KEHUXPHDXMBFGY-RKDXNWHRSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1cc2ccccc2o1 ZINC000814044330 586612735 /nfs/dbraw/zinc/61/27/35/586612735.db2.gz DACSPQAKFSKZNO-QMMMGPOBSA-N 0 0 249.222 2.255 20 5 BEBDRN CC[C@@H](C)CCC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814045454 586612794 /nfs/dbraw/zinc/61/27/94/586612794.db2.gz SOKAMYCFXSEKRX-RKDXNWHRSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1sccc1Cl ZINC000814045994 586613033 /nfs/dbraw/zinc/61/30/33/586613033.db2.gz FLHDDTHCKONPOQ-YFKPBYRVSA-N 0 0 249.675 2.224 20 5 BEBDRN CC[C@@H](CC(=O)O[C@H](C)C[N+](=O)[O-])C(C)C ZINC000814048316 586613260 /nfs/dbraw/zinc/61/32/60/586613260.db2.gz SDFIJLOCFKTKTM-ZJUUUORDSA-N 0 0 231.292 2.267 20 5 BEBDRN CCSCOc1cccnc1[N+](=O)[O-] ZINC000814725553 586630850 /nfs/dbraw/zinc/63/08/50/586630850.db2.gz IZJYNBMNIVMHHS-UHFFFAOYSA-N 0 0 214.246 2.079 20 5 BEBDRN C[C@H](CO)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000814775332 586633200 /nfs/dbraw/zinc/63/32/00/586633200.db2.gz STOLBHCAYXJJDE-SSDOTTSWSA-N 0 0 245.662 2.255 20 5 BEBDRN C[C@@H](CO)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000814775333 586633400 /nfs/dbraw/zinc/63/34/00/586633400.db2.gz STOLBHCAYXJJDE-ZETCQYMHSA-N 0 0 245.662 2.255 20 5 BEBDRN Nc1ccc(NC(=O)/C=C\C2CC2)cc1[N+](=O)[O-] ZINC000819916200 587002362 /nfs/dbraw/zinc/00/23/62/587002362.db2.gz JCMZZFQYEMQAEI-UTCJRWHESA-N 0 0 247.254 2.082 20 5 BEBDRN C[C@H](COC(=O)[C@@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000821167844 587099762 /nfs/dbraw/zinc/09/97/62/587099762.db2.gz YZQVPEODVCCSQK-OPRDCNLKSA-N 0 0 229.276 2.021 20 5 BEBDRN CC(C)(CCC(=O)OC[C@]1(C)C[C@H]1F)[N+](=O)[O-] ZINC000822149611 587156563 /nfs/dbraw/zinc/15/65/63/587156563.db2.gz FEYFIHGJVAPWLP-KCJUWKMLSA-N 0 0 247.266 2.113 20 5 BEBDRN CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C(C)C ZINC000822656193 587179229 /nfs/dbraw/zinc/17/92/29/587179229.db2.gz ORWJIYOVNOLRND-UHFFFAOYSA-N 0 0 230.308 2.079 20 5 BEBDRN CC(C)N(C(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000823075218 587200967 /nfs/dbraw/zinc/20/09/67/587200967.db2.gz KACNYWHXNMIWGW-UHFFFAOYSA-N 0 0 242.319 2.221 20 5 BEBDRN C[C@@H]1CCC[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823128829 587204516 /nfs/dbraw/zinc/20/45/16/587204516.db2.gz IYINYACEYHEDPH-ZJUUUORDSA-N 0 0 242.319 2.127 20 5 BEBDRN C[C@@H]1C[C@H](C)N(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826016393 587348581 /nfs/dbraw/zinc/34/85/81/587348581.db2.gz JCYLVGFZVUXIJK-ZJUUUORDSA-N 0 0 242.319 2.079 20 5 BEBDRN C[C@@H]1CC[C@@H](C)N1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826877719 587364722 /nfs/dbraw/zinc/36/47/22/587364722.db2.gz ZBJZOGHTLKMZQH-NXEZZACHSA-N 0 0 242.319 2.221 20 5 BEBDRN Cc1nn(CC(F)(F)C(F)F)cc1[N+](=O)[O-] ZINC000829601495 587505507 /nfs/dbraw/zinc/50/55/07/587505507.db2.gz DJQHOHLWJQZPIC-UHFFFAOYSA-N 0 0 241.144 2.000 20 5 BEBDRN C[C@H]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000829681105 587508655 /nfs/dbraw/zinc/50/86/55/587508655.db2.gz NYJWPWWWBYPOPR-UWVGGRQHSA-N 0 0 242.319 2.127 20 5 BEBDRN O=C(Oc1cccnc1[N+](=O)[O-])OC1CCC1 ZINC000829683879 587509280 /nfs/dbraw/zinc/50/92/80/587509280.db2.gz DBSWMGHGYMLBNX-UHFFFAOYSA-N 0 0 238.199 2.058 20 5 BEBDRN CC(C)C[C@@H](C)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829833349 587521226 /nfs/dbraw/zinc/52/12/26/587521226.db2.gz CAQWMCDGKWPGAE-SSDOTTSWSA-N 0 0 242.235 2.307 20 5 BEBDRN C[C@@H](O)CCOc1ccc([N+](=O)[O-])c(F)c1F ZINC000829884434 587527184 /nfs/dbraw/zinc/52/71/84/587527184.db2.gz WAIRUJJXUPAKNN-ZCFIWIBFSA-N 0 0 247.197 2.023 20 5 BEBDRN CCON(CC)C(=O)c1csc([N+](=O)[O-])c1 ZINC000831487349 587613162 /nfs/dbraw/zinc/61/31/62/587613162.db2.gz WETCYLJIQZOYHM-UHFFFAOYSA-N 0 0 244.272 2.070 20 5 BEBDRN CC(C)(CCC(=O)N[C@H]1CCC1(C)C)[N+](=O)[O-] ZINC000832001390 587642022 /nfs/dbraw/zinc/64/20/22/587642022.db2.gz LDFSDSLPFKCMMS-VIFPVBQESA-N 0 0 242.319 2.127 20 5 BEBDRN CC(C)(C)COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835125774 587784962 /nfs/dbraw/zinc/78/49/62/587784962.db2.gz MYLJHBVSOAGBST-UHFFFAOYSA-N 0 0 231.292 2.411 20 5 BEBDRN CC(C)(CCC(=O)OC1(C2CC2)CC1)[N+](=O)[O-] ZINC000835192387 587788131 /nfs/dbraw/zinc/78/81/31/587788131.db2.gz VQOMFZJMJWRNEW-UHFFFAOYSA-N 0 0 241.287 2.308 20 5 BEBDRN CSCCCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835323824 587796330 /nfs/dbraw/zinc/79/63/30/587796330.db2.gz DQWDGPYKKOCHHE-UHFFFAOYSA-N 0 0 249.332 2.118 20 5 BEBDRN CC(C)(CCC(=O)OCC1=CCCC1)[N+](=O)[O-] ZINC000835375321 587799017 /nfs/dbraw/zinc/79/90/17/587799017.db2.gz COQDNKRMVPSYSQ-UHFFFAOYSA-N 0 0 241.287 2.475 20 5 BEBDRN C[C@@H](COC(=O)C1(C2CCC2)CCC1)[N+](=O)[O-] ZINC000835455056 587802959 /nfs/dbraw/zinc/80/29/59/587802959.db2.gz MDLUGBSHVIGXIX-VIFPVBQESA-N 0 0 241.287 2.165 20 5 BEBDRN CC[C@H](CC(C)C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000835465897 587803748 /nfs/dbraw/zinc/80/37/48/587803748.db2.gz FTPHSHIOEMABPU-VHSXEESVSA-N 0 0 231.292 2.267 20 5 BEBDRN CC[C@@H]1CCC[C@@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000835465642 587803798 /nfs/dbraw/zinc/80/37/98/587803798.db2.gz FAYZBLFGTSNIDZ-BBBLOLIVSA-N 0 0 229.276 2.021 20 5 BEBDRN C=Cc1ccc(C(=O)O[C@H](C)C[N+](=O)[O-])cc1 ZINC000835468168 587803909 /nfs/dbraw/zinc/80/39/09/587803909.db2.gz ZUENWGJSRUHSJX-SECBINFHSA-N 0 0 235.239 2.152 20 5 BEBDRN CCNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836192338 587828148 /nfs/dbraw/zinc/82/81/48/587828148.db2.gz PIILJXZPNSMYIM-UHFFFAOYSA-N 0 0 242.662 2.306 20 5 BEBDRN CC(C)(CCC(=O)OCCCCF)[N+](=O)[O-] ZINC000837926430 587903402 /nfs/dbraw/zinc/90/34/02/587903402.db2.gz RUTDQLKHYTWPCA-UHFFFAOYSA-N 0 0 235.255 2.115 20 5 BEBDRN Cc1ocnc1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000121512402 587958072 /nfs/dbraw/zinc/95/80/72/587958072.db2.gz OCCOKOZHTOOXPF-UHFFFAOYSA-N 0 0 248.194 2.110 20 5 BEBDRN C[C@@H]1CC[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H]1C ZINC000842337791 588019434 /nfs/dbraw/zinc/01/94/34/588019434.db2.gz ISOBCISOWJXDSV-KAMPLNKDSA-N 0 0 241.287 2.020 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(OCSC)c1 ZINC000842655487 588049989 /nfs/dbraw/zinc/04/99/89/588049989.db2.gz NORKSAUFRDTLDC-UHFFFAOYSA-N 0 0 229.257 2.303 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1(F)CC1 ZINC000843523323 588119266 /nfs/dbraw/zinc/11/92/66/588119266.db2.gz LMTYDMPWNWOTRV-UHFFFAOYSA-N 0 0 238.218 2.344 20 5 BEBDRN Cc1ccc(OC(=O)c2cocn2)c([N+](=O)[O-])c1 ZINC000105365233 588150745 /nfs/dbraw/zinc/15/07/45/588150745.db2.gz AHZUTRTZGWBEKV-UHFFFAOYSA-N 0 0 248.194 2.110 20 5 BEBDRN CCCC(C)(C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000845578469 588232421 /nfs/dbraw/zinc/23/24/21/588232421.db2.gz YSFKFTRVUYLZRW-MRVPVSSYSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@@H](COC(=O)[C@@H]1CC[C@@H](C)CC1)[N+](=O)[O-] ZINC000845577532 588233964 /nfs/dbraw/zinc/23/39/64/588233964.db2.gz VMRPSKXIWOEDRQ-GUBZILKMSA-N 0 0 229.276 2.021 20 5 BEBDRN CC1=CC[C@](C)(C(=O)OC[C@H](C)[N+](=O)[O-])CC1 ZINC000851036565 588585589 /nfs/dbraw/zinc/58/55/89/588585589.db2.gz KLGUPGAWLRVFRC-JQWIXIFHSA-N 0 0 241.287 2.331 20 5 BEBDRN CC1=CC[C@@](C)(C(=O)OC[C@@H](C)[N+](=O)[O-])CC1 ZINC000851036568 588585648 /nfs/dbraw/zinc/58/56/48/588585648.db2.gz KLGUPGAWLRVFRC-ZYHUDNBSSA-N 0 0 241.287 2.331 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000851045573 588586690 /nfs/dbraw/zinc/58/66/90/588586690.db2.gz LIPKHWJOLZSCGP-VHSXEESVSA-N 0 0 241.287 2.165 20 5 BEBDRN CCC[C@H](C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851125366 588592001 /nfs/dbraw/zinc/59/20/01/588592001.db2.gz AVZZQTZFBIZUAF-QMMMGPOBSA-N 0 0 217.265 2.021 20 5 BEBDRN Cc1cc(C(=O)OCC(C)(C)[N+](=O)[O-])c(C)o1 ZINC000851122512 588592294 /nfs/dbraw/zinc/59/22/94/588592294.db2.gz FWRZNVYUOXCWNB-UHFFFAOYSA-N 0 0 241.243 2.109 20 5 BEBDRN C[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])C(C)(C)C ZINC000851125466 588592307 /nfs/dbraw/zinc/59/23/07/588592307.db2.gz CUXLGTQFNTYHOH-MRVPVSSYSA-N 0 0 231.292 2.267 20 5 BEBDRN Cc1cccc(C(=O)OCC(C)(C)[N+](=O)[O-])c1 ZINC000851123484 588592313 /nfs/dbraw/zinc/59/23/13/588592313.db2.gz RZKTZIVQFOLLAM-UHFFFAOYSA-N 0 0 237.255 2.207 20 5 BEBDRN CC(C)(COC(=O)C[C@@H]1C=CCCC1)[N+](=O)[O-] ZINC000851127929 588592545 /nfs/dbraw/zinc/59/25/45/588592545.db2.gz BEIKILMJJNBEHE-SNVBAGLBSA-N 0 0 241.287 2.331 20 5 BEBDRN C[C@@H]1CCC[C@H]1CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128333 588592896 /nfs/dbraw/zinc/59/28/96/588592896.db2.gz RHLPDEGXVKYLHL-ZJUUUORDSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1coc(C)c1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851129366 588592991 /nfs/dbraw/zinc/59/29/91/588592991.db2.gz LDMRGWOVQZGNCG-UHFFFAOYSA-N 0 0 241.243 2.109 20 5 BEBDRN CC(C)(COC(=O)c1ccoc1Cl)[N+](=O)[O-] ZINC000851128089 588593032 /nfs/dbraw/zinc/59/30/32/588593032.db2.gz IBSDHSYUWRDQCZ-UHFFFAOYSA-N 0 0 247.634 2.145 20 5 BEBDRN CC[C@@H]1CCC[C@@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851129275 588593151 /nfs/dbraw/zinc/59/31/51/588593151.db2.gz LULQBKDHXOBCGC-ZJUUUORDSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1coc(C(F)F)c1 ZINC000860788976 589120727 /nfs/dbraw/zinc/12/07/27/589120727.db2.gz XNASMEBFPVFLEG-RXMQYKEDSA-N 0 0 249.169 2.039 20 5 BEBDRN C[C@@H](C(=O)OCCC[N+](=O)[O-])c1cccs1 ZINC000860914985 589131517 /nfs/dbraw/zinc/13/15/17/589131517.db2.gz NFPDQVYPXKQJAC-MRVPVSSYSA-N 0 0 243.284 2.062 20 5 BEBDRN CC[C@H](CC(=O)OCCC[N+](=O)[O-])C(C)C ZINC000860915508 589131586 /nfs/dbraw/zinc/13/15/86/589131586.db2.gz GVLZOGKDWCVJDS-SNVBAGLBSA-N 0 0 231.292 2.269 20 5 BEBDRN CC[C@@H](CC(=O)OCCC[N+](=O)[O-])C(C)C ZINC000860915507 589131654 /nfs/dbraw/zinc/13/16/54/589131654.db2.gz GVLZOGKDWCVJDS-JTQLQIEISA-N 0 0 231.292 2.269 20 5 BEBDRN C[C@@H](CC1CCCC1)C(=O)OCCC[N+](=O)[O-] ZINC000860915705 589131713 /nfs/dbraw/zinc/13/17/13/589131713.db2.gz WARFPKBSZNJEHT-JTQLQIEISA-N 0 0 243.303 2.413 20 5 BEBDRN CC[C@@H](C)CCC(=O)OCCC[N+](=O)[O-] ZINC000860918273 589131853 /nfs/dbraw/zinc/13/18/53/589131853.db2.gz FEKLDJBVOUHFJE-SECBINFHSA-N 0 0 217.265 2.023 20 5 BEBDRN CCC(CC)[C@H](C)C(=O)OCCC[N+](=O)[O-] ZINC000860917428 589131862 /nfs/dbraw/zinc/13/18/62/589131862.db2.gz LMFWTXGWJTZNQI-VIFPVBQESA-N 0 0 231.292 2.269 20 5 BEBDRN CC(C)c1ccoc1C(=O)OCCC[N+](=O)[O-] ZINC000860918372 589132033 /nfs/dbraw/zinc/13/20/33/589132033.db2.gz HYWSSCLTLFNTQB-UHFFFAOYSA-N 0 0 241.243 2.227 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])[C@H]1C[C@@H]1c1ccccc1 ZINC000860919833 589132200 /nfs/dbraw/zinc/13/22/00/589132200.db2.gz XEERSQBCYSGIDY-NEPJUHHUSA-N 0 0 249.266 2.000 20 5 BEBDRN CCCc1occc1C(=O)OCCC[N+](=O)[O-] ZINC000860921129 589132601 /nfs/dbraw/zinc/13/26/01/589132601.db2.gz OKMMZDFECQNYGY-UHFFFAOYSA-N 0 0 241.243 2.056 20 5 BEBDRN CC(F)(F)COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000861229032 589153805 /nfs/dbraw/zinc/15/38/05/589153805.db2.gz CWIKKACUHTYXOE-UHFFFAOYSA-N 0 0 245.181 2.407 20 5 BEBDRN O=C(Nc1ccc2occc2c1)[C@@H]1CC1[N+](=O)[O-] ZINC000863009909 589251758 /nfs/dbraw/zinc/25/17/58/589251758.db2.gz WLQZTYHPSSFLBC-NXEZZACHSA-N 0 0 246.222 2.037 20 5 BEBDRN CCCOCOc1ccc([N+](=O)[O-])cc1 ZINC000863223213 589272633 /nfs/dbraw/zinc/27/26/33/589272633.db2.gz RCPHORNZHNFZSD-UHFFFAOYSA-N 0 0 211.217 2.358 20 5 BEBDRN CCCOCOc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000863346096 589281764 /nfs/dbraw/zinc/28/17/64/589281764.db2.gz VZULIIPAMUXSQR-UHFFFAOYSA-N 0 0 240.259 2.370 20 5 BEBDRN CC(C)(C)CCCn1ncc([N+](=O)[O-])n1 ZINC000863371181 589284323 /nfs/dbraw/zinc/28/43/23/589284323.db2.gz KAXHUQBCGRSSIN-UHFFFAOYSA-N 0 0 212.253 2.013 20 5 BEBDRN C[C@H]1CCCC[C@H]1Cn1ncc([N+](=O)[O-])n1 ZINC000863371224 589284344 /nfs/dbraw/zinc/28/43/44/589284344.db2.gz KSQSKJLLKFUZPL-IUCAKERBSA-N 0 0 224.264 2.013 20 5 BEBDRN C[C@H]1CCC[C@H](Cn2ncc([N+](=O)[O-])n2)C1 ZINC000863374828 589284946 /nfs/dbraw/zinc/28/49/46/589284946.db2.gz YHNRMMNXQXVKNN-IUCAKERBSA-N 0 0 224.264 2.013 20 5 BEBDRN O=[N+]([O-])c1cccc(-c2nnc3n2CCCC3)c1 ZINC000863967312 589329441 /nfs/dbraw/zinc/32/94/41/589329441.db2.gz RHLQTFSXCPREMH-UHFFFAOYSA-N 0 0 244.254 2.190 20 5 BEBDRN Cc1nn(Cc2coc(C3CC3)n2)cc1[N+](=O)[O-] ZINC000865368102 589427434 /nfs/dbraw/zinc/42/74/34/589427434.db2.gz MRLIMMKUJJAZMB-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN O=[N+]([O-])c1sccc1NOC[C@@H]1CCOC1 ZINC000865720252 589458232 /nfs/dbraw/zinc/45/82/32/589458232.db2.gz AIBFPJVYHDDRFH-SSDOTTSWSA-N 0 0 244.272 2.036 20 5 BEBDRN CCON(CC)c1ncc([N+](=O)[O-])cc1Cl ZINC000866306582 589485283 /nfs/dbraw/zinc/48/52/83/589485283.db2.gz JOUQSMDWNCMLRR-UHFFFAOYSA-N 0 0 245.666 2.421 20 5 BEBDRN O=C(OCCCF)c1c(F)cccc1[N+](=O)[O-] ZINC000869897002 589637070 /nfs/dbraw/zinc/63/70/70/589637070.db2.gz KNBYRZBTHSUSEP-UHFFFAOYSA-N 0 0 245.181 2.250 20 5 BEBDRN CCN(C)C(=O)c1cc(F)cc(C)c1[N+](=O)[O-] ZINC000122848195 589639406 /nfs/dbraw/zinc/63/94/06/589639406.db2.gz NZYQMSBJYHCRLR-UHFFFAOYSA-N 0 0 240.234 2.134 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1cscc1Cl ZINC000870385231 589661052 /nfs/dbraw/zinc/66/10/52/589661052.db2.gz IQUNOAHRLVXKDH-RXMQYKEDSA-N 0 0 249.675 2.224 20 5 BEBDRN CC(C)(C)SCn1cccc([N+](=O)[O-])c1=O ZINC000871651235 589782079 /nfs/dbraw/zinc/78/20/79/589782079.db2.gz ALDWDIZQJTYVSL-UHFFFAOYSA-N 0 0 242.300 2.246 20 5 BEBDRN Cc1nonc1CNc1c(C)cccc1[N+](=O)[O-] ZINC000872777991 589968666 /nfs/dbraw/zinc/96/86/66/589968666.db2.gz XAAFRAZGJGLYMT-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CCC[C@H](CC)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000873532864 590054454 /nfs/dbraw/zinc/05/44/54/590054454.db2.gz ORMZFLNLPQXFAC-BDAKNGLRSA-N 0 0 217.265 2.021 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CC1 ZINC000873740699 590070139 /nfs/dbraw/zinc/07/01/39/590070139.db2.gz HXAKMVWGZPCHTC-UHFFFAOYSA-N 0 0 234.255 2.104 20 5 BEBDRN C[C@@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000874628006 590119053 /nfs/dbraw/zinc/11/90/53/590119053.db2.gz ZSWIXJMTSFFQAD-IQJOONFLSA-N 0 0 248.282 2.428 20 5 BEBDRN CC1CC(COc2cccnc2[N+](=O)[O-])C1 ZINC000877888317 590439734 /nfs/dbraw/zinc/43/97/34/590439734.db2.gz QYLYUKGFWNIHIK-UHFFFAOYSA-N 0 0 222.244 2.415 20 5 BEBDRN CCON(CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000879794738 590872729 /nfs/dbraw/zinc/87/27/29/590872729.db2.gz HUJSRDJQHNAJEK-UHFFFAOYSA-N 0 0 224.260 2.368 20 5 BEBDRN O=[N+]([O-])c1cc(CN2CC[C@@H](CF)C2)cs1 ZINC000880295935 590990875 /nfs/dbraw/zinc/99/08/75/590990875.db2.gz QAVZQLYHMGQFPK-QMMMGPOBSA-N 0 0 244.291 2.448 20 5 BEBDRN C=C/C=C/CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000881568026 591242997 /nfs/dbraw/zinc/24/29/97/591242997.db2.gz ZAWWNUKBYNBFKE-AATRIKPKSA-N 0 0 240.303 2.070 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1N1CCCCC1 ZINC000881732406 591267726 /nfs/dbraw/zinc/26/77/26/591267726.db2.gz HEGGPZPOWIKLHC-UHFFFAOYSA-N 0 0 225.223 2.119 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1NC1CCCC1 ZINC000881738277 591268140 /nfs/dbraw/zinc/26/81/40/591268140.db2.gz MSKJGNDSEONOOR-UHFFFAOYSA-N 0 0 225.223 2.483 20 5 BEBDRN C[C@@H]1C[C@@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881808073 591272412 /nfs/dbraw/zinc/27/24/12/591272412.db2.gz LYGOAWXBFYLSTQ-RNFRBKRXSA-N 0 0 225.223 2.197 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1NCCC1CC1 ZINC000882031145 591289671 /nfs/dbraw/zinc/28/96/71/591289671.db2.gz VGKCRPGLDQRENG-UHFFFAOYSA-N 0 0 225.223 2.341 20 5 BEBDRN CC1(C)CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882032647 591289729 /nfs/dbraw/zinc/28/97/29/591289729.db2.gz ODOSZHCPPWEJHX-UHFFFAOYSA-N 0 0 239.250 2.365 20 5 BEBDRN C[C@@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000882036676 591290162 /nfs/dbraw/zinc/29/01/62/591290162.db2.gz JEHBISRUWDWFIS-HTQZYQBOSA-N 0 0 239.250 2.221 20 5 BEBDRN C[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000882036677 591290314 /nfs/dbraw/zinc/29/03/14/591290314.db2.gz JEHBISRUWDWFIS-OCAPTIKFSA-N 0 0 239.250 2.221 20 5 BEBDRN CC1(CNc2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882051794 591291845 /nfs/dbraw/zinc/29/18/45/591291845.db2.gz WZJLNZLXAKDRHS-UHFFFAOYSA-N 0 0 225.223 2.341 20 5 BEBDRN C[C@@H]1[C@@H](C)CCN1c1ccnc(F)c1[N+](=O)[O-] ZINC000882053747 591292115 /nfs/dbraw/zinc/29/21/15/591292115.db2.gz YUQWRIKQAHFXPM-JGVFFNPUSA-N 0 0 239.250 2.364 20 5 BEBDRN CC1(C)CCC[C@@H](Cn2nccc2[N+](=O)[O-])O1 ZINC000882107312 591299118 /nfs/dbraw/zinc/29/91/18/591299118.db2.gz TUYBHDGZZQIDRT-VIFPVBQESA-N 0 0 239.275 2.139 20 5 BEBDRN CC(F)(F)CNc1ccnc(F)c1[N+](=O)[O-] ZINC000882401331 591343069 /nfs/dbraw/zinc/34/30/69/591343069.db2.gz VKHDSPBHPDCCPD-UHFFFAOYSA-N 0 0 235.165 2.196 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(SC[C@H](C)O)c1 ZINC000882738060 591423917 /nfs/dbraw/zinc/42/39/17/591423917.db2.gz HVHZYQQXYZLHBT-QMMMGPOBSA-N 0 0 227.285 2.376 20 5 BEBDRN Cc1ccc(SC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000882737400 591424550 /nfs/dbraw/zinc/42/45/50/591424550.db2.gz KRBYSHLUNKMCLG-MRVPVSSYSA-N 0 0 227.285 2.376 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CCC[C@H](CF)C1 ZINC000882800592 591442729 /nfs/dbraw/zinc/44/27/29/591442729.db2.gz FVSOZKCZSJWTJJ-SECBINFHSA-N 0 0 239.250 2.176 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H](CF)C2)s1 ZINC000882802819 591443463 /nfs/dbraw/zinc/44/34/63/591443463.db2.gz RJNHRBZWSKFSDU-ZETCQYMHSA-N 0 0 245.279 2.237 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](CF)C2)s1 ZINC000882842012 591452576 /nfs/dbraw/zinc/45/25/76/591452576.db2.gz KOJUPLMQEUZPDL-ZETCQYMHSA-N 0 0 230.264 2.452 20 5 BEBDRN CC1(C(=O)OCc2cccc([N+](=O)[O-])c2)CC1 ZINC000130529141 591479877 /nfs/dbraw/zinc/47/98/77/591479877.db2.gz ZTBOEZLXQYGUKW-UHFFFAOYSA-N 0 0 235.239 2.438 20 5 BEBDRN CCN1CC[C@H]1CNc1sccc1[N+](=O)[O-] ZINC000882960330 591482883 /nfs/dbraw/zinc/48/28/83/591482883.db2.gz GXZFVMWOAXKGIZ-QMMMGPOBSA-N 0 0 241.316 2.162 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000132561283 591720782 /nfs/dbraw/zinc/72/07/82/591720782.db2.gz HPHAQCGIFYQWJF-QUBYGPBYSA-N 0 0 239.202 2.295 20 5 BEBDRN COc1cccc(NCc2ccon2)c1[N+](=O)[O-] ZINC000134927916 591961735 /nfs/dbraw/zinc/96/17/35/591961735.db2.gz AUBUVKZHDCCIQK-UHFFFAOYSA-N 0 0 249.226 2.204 20 5 BEBDRN Cc1cc(N2C[C@@H]3C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000884587819 591988059 /nfs/dbraw/zinc/98/80/59/591988059.db2.gz RGDXQSIKCFNEGP-AOOOYVTPSA-N 0 0 218.256 2.359 20 5 BEBDRN CCOc1cc(N2C[C@@H]3C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000884588761 591988656 /nfs/dbraw/zinc/98/86/56/591988656.db2.gz MGZLUXKVJVZOFM-AOOOYVTPSA-N 0 0 248.282 2.450 20 5 BEBDRN COc1cccc(N2C[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000884590396 591989638 /nfs/dbraw/zinc/98/96/38/591989638.db2.gz VAOGZKGAHZLQNL-DTORHVGOSA-N 0 0 234.255 2.060 20 5 BEBDRN CN(Cc1ccoc1)Cc1cccnc1[N+](=O)[O-] ZINC000885962595 592116087 /nfs/dbraw/zinc/11/60/87/592116087.db2.gz CNGSGUAKSSXJRU-UHFFFAOYSA-N 0 0 247.254 2.215 20 5 BEBDRN CC(C)[C@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000361045156 592724580 /nfs/dbraw/zinc/72/45/80/592724580.db2.gz VYLKKDZTOWLSDB-JTQLQIEISA-N 0 0 235.287 2.472 20 5 BEBDRN C/C=C/C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000108260601 634478833 /nfs/dbraw/zinc/47/88/33/634478833.db2.gz PASDNUZETXYXHE-HYYFJVDXSA-N 0 0 234.255 2.348 20 5 BEBDRN O=[N+]([O-])c1ccc(OCc2ccno2)cc1F ZINC000067015105 635473255 /nfs/dbraw/zinc/47/32/55/635473255.db2.gz JRXLYJVWFIFGEQ-UHFFFAOYSA-N 0 0 238.174 2.301 20 5 BEBDRN O=C(OCCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000061096242 632001813 /nfs/dbraw/zinc/00/18/13/632001813.db2.gz XBYMHPCXVNPFQT-UHFFFAOYSA-N 0 0 249.266 2.481 20 5 BEBDRN COC(=O)C[C@@H](C)Nc1sccc1[N+](=O)[O-] ZINC000309584334 632550550 /nfs/dbraw/zinc/55/05/50/632550550.db2.gz RHPYAUVTFVRETR-ZCFIWIBFSA-N 0 0 244.272 2.020 20 5 BEBDRN Cn1cncc1CNc1ccsc1[N+](=O)[O-] ZINC000309609023 632582720 /nfs/dbraw/zinc/58/27/20/632582720.db2.gz YTMUOZBBNASHKA-UHFFFAOYSA-N 0 0 238.272 2.002 20 5 BEBDRN C[C@H](O)CCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000310309917 632718656 /nfs/dbraw/zinc/71/86/56/632718656.db2.gz DNJYEDVRSSISGB-QMMMGPOBSA-N 0 0 243.234 2.274 20 5 BEBDRN CC(C)C[C@@H](O)CNc1ccc([N+](=O)[O-])s1 ZINC000309316435 632928786 /nfs/dbraw/zinc/92/87/86/632928786.db2.gz DDDWWKNNSJFNLH-MRVPVSSYSA-N 0 0 244.316 2.475 20 5 BEBDRN CC[C@@H](C)CCNc1c([N+](=O)[O-])cnn1C ZINC000894520974 635903970 /nfs/dbraw/zinc/90/39/70/635903970.db2.gz RMBKKGAIYOJKRF-MRVPVSSYSA-N 0 0 226.280 2.176 20 5 BEBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NC1CC1 ZINC000309488234 633172259 /nfs/dbraw/zinc/17/22/59/633172259.db2.gz HKPDIGRHPMMAHW-UHFFFAOYSA-N 0 0 223.188 2.077 20 5 BEBDRN Cc1c(C(=O)OCC2CC2)cccc1[N+](=O)[O-] ZINC000062699325 633789763 /nfs/dbraw/zinc/78/97/63/633789763.db2.gz ZMEOFCSUKDSOHK-UHFFFAOYSA-N 0 0 235.239 2.470 20 5 BEBDRN CCC[C@H](C)CC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814043944 635748801 /nfs/dbraw/zinc/74/88/01/635748801.db2.gz LZJOAUGPBFIOPM-IUCAKERBSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000814044089 635749346 /nfs/dbraw/zinc/74/93/46/635749346.db2.gz OAIZSGGHSSESAP-KXUCPTDWSA-N 0 0 229.276 2.021 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC[C@H]2C(F)F)cc1 ZINC000895438180 636144042 /nfs/dbraw/zinc/14/40/42/636144042.db2.gz ZCIRIEOSFNFKFO-JTQLQIEISA-N 0 0 242.225 2.434 20 5 BEBDRN Cc1ccc(N[C@H]2C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000896689586 636214053 /nfs/dbraw/zinc/21/40/53/636214053.db2.gz HDUGZXDPGJFKRI-MGCOHNPYSA-N 0 0 236.271 2.086 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCC[C@@H](O)C1CC1 ZINC000897387043 636568548 /nfs/dbraw/zinc/56/85/48/636568548.db2.gz BKIMRHWKYBQBRO-GFCCVEGCSA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@H]2CCOC2)cc1F ZINC000110049150 636762101 /nfs/dbraw/zinc/76/21/01/636762101.db2.gz QXMCHZWHUBVUHS-QMMMGPOBSA-N 0 0 241.218 2.149 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@@H]2CCCO2)cc1F ZINC000110049216 636762115 /nfs/dbraw/zinc/76/21/15/636762115.db2.gz UNLDEZFOHVDWQJ-VIFPVBQESA-N 0 0 241.218 2.292 20 5 BEBDRN CC(C)c1ccc(NCC[N+](=O)[O-])cc1 ZINC000905295667 637728693 /nfs/dbraw/zinc/72/86/93/637728693.db2.gz UUAAEDICRYINCJ-UHFFFAOYSA-N 0 0 208.261 2.499 20 5 BEBDRN CSCc1cccc(NCC[N+](=O)[O-])c1 ZINC000905317800 637743486 /nfs/dbraw/zinc/74/34/86/637743486.db2.gz DUDOTDALPFYSBC-UHFFFAOYSA-N 0 0 226.301 2.238 20 5 BEBDRN O=[N+]([O-])CCNc1ccc(OCC2CC2)cc1 ZINC000905321352 637746852 /nfs/dbraw/zinc/74/68/52/637746852.db2.gz MEPNZPTUPSXWJE-UHFFFAOYSA-N 0 0 236.271 2.164 20 5 BEBDRN CCOc1ccc(NCC[N+](=O)[O-])c(C)c1 ZINC000905308175 637766387 /nfs/dbraw/zinc/76/63/87/637766387.db2.gz KXYCWJMEKCKXBY-UHFFFAOYSA-N 0 0 224.260 2.082 20 5 BEBDRN COCc1cc(Cl)ccc1NCC[N+](=O)[O-] ZINC000905345999 637767624 /nfs/dbraw/zinc/76/76/24/637767624.db2.gz PJLZQVOPPDECRX-UHFFFAOYSA-N 0 0 244.678 2.175 20 5 BEBDRN O=[N+]([O-])CCNc1ccccc1OCC(F)F ZINC000905329306 637779210 /nfs/dbraw/zinc/77/92/10/637779210.db2.gz LTWUGDIMAYFGTM-UHFFFAOYSA-N 0 0 246.213 2.019 20 5 BEBDRN CCc1ccc(NCC[N+](=O)[O-])cc1C ZINC000905330821 637780661 /nfs/dbraw/zinc/78/06/61/637780661.db2.gz SWNNBKVJJOMQLC-UHFFFAOYSA-N 0 0 208.261 2.246 20 5 BEBDRN O=[N+]([O-])CCNc1ccc(OCC(F)F)cc1 ZINC000905330110 637780665 /nfs/dbraw/zinc/78/06/65/637780665.db2.gz ROAYZBCFWUIIFF-UHFFFAOYSA-N 0 0 246.213 2.019 20 5 BEBDRN COc1cc(C)c(NCC[N+](=O)[O-])cc1C ZINC000905334185 637780833 /nfs/dbraw/zinc/78/08/33/637780833.db2.gz MMYJZKMJKJTNJJ-UHFFFAOYSA-N 0 0 224.260 2.001 20 5 BEBDRN COc1cc(C)cc(NCC[N+](=O)[O-])c1C ZINC000905334593 637780958 /nfs/dbraw/zinc/78/09/58/637780958.db2.gz FOQMRPQTNUATCB-UHFFFAOYSA-N 0 0 224.260 2.001 20 5 BEBDRN CC(C)Oc1cc(F)ccc1NCC[N+](=O)[O-] ZINC000905332599 637781348 /nfs/dbraw/zinc/78/13/48/637781348.db2.gz VQROMJSBBZGFGC-UHFFFAOYSA-N 0 0 242.250 2.302 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC=CC2)c1C ZINC000909999409 639308466 /nfs/dbraw/zinc/30/84/66/639308466.db2.gz JFYICAGFVVBCON-UHFFFAOYSA-N 0 0 246.266 2.224 20 5 BEBDRN C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930492220 639781851 /nfs/dbraw/zinc/78/18/51/639781851.db2.gz FDWAHHDAMRQLTL-WDEREUQCSA-N 0 0 228.336 2.410 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(OCCCO)c(Cl)c1 ZINC000912359849 640032444 /nfs/dbraw/zinc/03/24/44/640032444.db2.gz WWSYISFASIILRF-UHFFFAOYSA-N 0 0 249.625 2.149 20 5 BEBDRN CSCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000088036165 641259365 /nfs/dbraw/zinc/25/93/65/641259365.db2.gz NIROXIPQTRLUIB-UHFFFAOYSA-N 0 0 227.289 2.073 20 5 BEBDRN C[C@H]1c2ccc(F)cc2CCN1CC[N+](=O)[O-] ZINC000929689977 641399129 /nfs/dbraw/zinc/39/91/29/641399129.db2.gz JZXBARPDBVHJAD-VIFPVBQESA-N 0 0 238.262 2.022 20 5 BEBDRN CSCCSc1ccc([N+](=O)[O-])cn1 ZINC000159688018 641693078 /nfs/dbraw/zinc/69/30/78/641693078.db2.gz NJDBQQGLSQEBMI-UHFFFAOYSA-N 0 0 230.314 2.445 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000193997476 641869720 /nfs/dbraw/zinc/86/97/20/641869720.db2.gz RIRLBJDLZPHLJR-BXKDBHETSA-N 0 0 249.266 2.337 20 5 BEBDRN CSCC(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000077959067 641892937 /nfs/dbraw/zinc/89/29/37/641892937.db2.gz IWPVJLMPVHVGJY-UHFFFAOYSA-N 0 0 241.268 2.172 20 5 BEBDRN O=[N+]([O-])c1cn(C[C@@H]2C[C@@H]3C=C[C@H]2CC3)cn1 ZINC000916558947 641947661 /nfs/dbraw/zinc/94/76/61/641947661.db2.gz UIQFIVSETMCYMF-VWYCJHECSA-N 0 0 233.271 2.394 20 5 BEBDRN O=[N+]([O-])c1ncn(C[C@@H]2CC3CCC2CC3)n1 ZINC000916731104 641972315 /nfs/dbraw/zinc/97/23/15/641972315.db2.gz UVOHNSKJOPXPJL-RTBKNWGFSA-N 0 0 236.275 2.013 20 5 BEBDRN CC(F)(F)CCCn1cccc([N+](=O)[O-])c1=O ZINC000916832142 641978907 /nfs/dbraw/zinc/97/89/07/641978907.db2.gz KUQDSHHYYXTDAH-UHFFFAOYSA-N 0 0 246.213 2.192 20 5 BEBDRN CC(C)(CO)CSc1ccc([N+](=O)[O-])cn1 ZINC000917347267 642044687 /nfs/dbraw/zinc/04/46/87/642044687.db2.gz QFXKMYHPTWGWBV-UHFFFAOYSA-N 0 0 242.300 2.100 20 5 BEBDRN CC[C@@H](CC(F)F)Cn1ccnc1[N+](=O)[O-] ZINC000918385361 642193638 /nfs/dbraw/zinc/19/36/38/642193638.db2.gz AOKMAGRNIIQJES-ZETCQYMHSA-N 0 0 233.218 2.473 20 5 BEBDRN COc1cccc(Cn2ccnc2[N+](=O)[O-])c1C ZINC000918396832 642194412 /nfs/dbraw/zinc/19/44/12/642194412.db2.gz NOKZLMXSYAKGDO-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN CC1(C)CC(Cn2ccnc2[N+](=O)[O-])C1 ZINC000918385440 642194590 /nfs/dbraw/zinc/19/45/90/642194590.db2.gz DAGHVDLRSAWTNO-UHFFFAOYSA-N 0 0 209.249 2.228 20 5 BEBDRN O=[N+]([O-])c1nccn1CCOC1CCCCC1 ZINC000918396300 642194597 /nfs/dbraw/zinc/19/45/97/642194597.db2.gz HMLJVEZVXRBXIW-UHFFFAOYSA-N 0 0 239.275 2.141 20 5 BEBDRN O=[N+]([O-])c1nccn1COC1CCCCC1 ZINC000918388287 642195389 /nfs/dbraw/zinc/19/53/89/642195389.db2.gz ZIFJFVGGRPHSFY-UHFFFAOYSA-N 0 0 225.248 2.098 20 5 BEBDRN CCCC(=O)OCc1csc([N+](=O)[O-])c1 ZINC000918853425 642276561 /nfs/dbraw/zinc/27/65/61/642276561.db2.gz SZGKDWITHUEKGO-UHFFFAOYSA-N 0 0 229.257 2.500 20 5 BEBDRN CC[C@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000920125842 642438639 /nfs/dbraw/zinc/43/86/39/642438639.db2.gz HAJPOEDYUGCSJM-VIFPVBQESA-N 0 0 237.255 2.479 20 5 BEBDRN O=[N+]([O-])c1cnc2ccc(F)cc2c1NC1CC1 ZINC000891421690 642515112 /nfs/dbraw/zinc/51/51/12/642515112.db2.gz IXKDCBIUVJKTNV-UHFFFAOYSA-N 0 0 247.229 2.278 20 5 BEBDRN CC(C)[C@H](O)COc1c(F)cccc1[N+](=O)[O-] ZINC000306040281 642718507 /nfs/dbraw/zinc/71/85/07/642718507.db2.gz RRZXMBAKHCQUTO-SNVBAGLBSA-N 0 0 243.234 2.130 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCF)cc1F ZINC000085502283 643756173 /nfs/dbraw/zinc/75/61/73/643756173.db2.gz BCMOYSMFCALPBP-UHFFFAOYSA-N 0 0 203.144 2.082 20 5 BEBDRN C/C=C(/C)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000255552195 643868782 /nfs/dbraw/zinc/86/87/82/643868782.db2.gz ISAACKOVMGOQAG-BAQGIRSFSA-N 0 0 221.212 2.466 20 5 BEBDRN Cc1c(NC(=O)C(F)F)cccc1[N+](=O)[O-] ZINC000192726202 644179843 /nfs/dbraw/zinc/17/98/43/644179843.db2.gz YEBSRDDWXCMRPF-UHFFFAOYSA-N 0 0 230.170 2.107 20 5 BEBDRN COCCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000082254387 644361871 /nfs/dbraw/zinc/36/18/71/644361871.db2.gz MEMXOAWZKRWYHS-UHFFFAOYSA-N 0 0 229.207 2.149 20 5 BEBDRN C[C@@H](O)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000083676522 644407496 /nfs/dbraw/zinc/40/74/96/644407496.db2.gz YZWOFJGPXAJRIF-ZCFIWIBFSA-N 0 0 231.635 2.008 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC(C(F)F)C2)cc1 ZINC000775482737 644702804 /nfs/dbraw/zinc/70/28/04/644702804.db2.gz YGQHYUGZWAZOJZ-UHFFFAOYSA-N 0 0 228.198 2.296 20 5 BEBDRN CC1(C)C[C@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819905834 645021644 /nfs/dbraw/zinc/02/16/44/645021644.db2.gz XWFSBALCIQFZGT-QMMMGPOBSA-N 0 0 249.270 2.162 20 5 BEBDRN CC(C)[C@@H]1CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828555652 645105532 /nfs/dbraw/zinc/10/55/32/645105532.db2.gz PEKSVBDYDMCVPG-JTQLQIEISA-N 0 0 242.319 2.079 20 5 BEBDRN O=C(CCCF)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000857571263 645616835 /nfs/dbraw/zinc/61/68/35/645616835.db2.gz DWLGDWCFYVCYPO-UHFFFAOYSA-N 0 0 244.197 2.422 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1-c1cc(CO)ccn1 ZINC000929060832 645932085 /nfs/dbraw/zinc/93/20/85/645932085.db2.gz HBMKBELZNOFZHQ-UHFFFAOYSA-N 0 0 248.213 2.288 20 5 BEBDRN CC(C)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929087620 645935315 /nfs/dbraw/zinc/93/53/15/645935315.db2.gz CNWQVHZDWIXNMK-NEPJUHHUSA-N 0 0 248.282 2.223 20 5 BEBDRN C[C@H]1c2c(F)cccc2CCN1CC[N+](=O)[O-] ZINC000929689248 646246707 /nfs/dbraw/zinc/24/67/07/646246707.db2.gz SUROQXVPYHNZMP-VIFPVBQESA-N 0 0 238.262 2.022 20 5 BEBDRN CN(CC[N+](=O)[O-])Cc1cc2ccccc2o1 ZINC000929770033 646301241 /nfs/dbraw/zinc/30/12/41/646301241.db2.gz SZEHDYGVSVUJFG-UHFFFAOYSA-N 0 0 234.255 2.141 20 5 BEBDRN Cc1cccc(OC(=O)OCCF)c1[N+](=O)[O-] ZINC000859080559 712617585 /nfs/dbraw/zinc/61/75/85/712617585.db2.gz NIIBGZBMEXRUGF-UHFFFAOYSA-N 0 0 243.190 2.388 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CC23CCC3)s1 ZINC000721187988 712896469 /nfs/dbraw/zinc/89/64/69/712896469.db2.gz LVUTZZRTBNKCRI-LURJTMIESA-N 0 0 225.273 2.406 20 5 BEBDRN O=c1[nH]ccc(N[C@H]2CC23CCC3)c1[N+](=O)[O-] ZINC000721206523 712898492 /nfs/dbraw/zinc/89/84/92/712898492.db2.gz HXNSRESQOYDAPN-QMMMGPOBSA-N 0 0 235.243 2.050 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC23CCC3)nc1 ZINC000721228834 712899170 /nfs/dbraw/zinc/89/91/70/712899170.db2.gz GZEVVXCEZBOBQQ-SECBINFHSA-N 0 0 219.244 2.344 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CC23CCC3)cn1 ZINC000721225442 712899568 /nfs/dbraw/zinc/89/95/68/712899568.db2.gz FXJZRWSXXFOXPI-VIFPVBQESA-N 0 0 219.244 2.344 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CC23CC(O)C3)c1 ZINC000724991972 711641831 /nfs/dbraw/zinc/64/18/31/711641831.db2.gz VSLMANPJHKSAKN-YHECAPGISA-N 0 0 248.282 2.229 20 5 BEBDRN CCCOCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000709719520 712216801 /nfs/dbraw/zinc/21/68/01/712216801.db2.gz IIBYJYSIYAEROI-UHFFFAOYSA-N 0 0 229.207 2.497 20 5 BEBDRN Nc1ccc(NC[C@]23C[C@H]2CCC3)nc1[N+](=O)[O-] ZINC000710548487 712226850 /nfs/dbraw/zinc/22/68/50/712226850.db2.gz OQBUOOZVIYFOBY-PELKAZGASA-N 0 0 248.286 2.174 20 5 BEBDRN CO[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000714594008 712488326 /nfs/dbraw/zinc/48/83/26/712488326.db2.gz QGYFRWALZMFCOW-OTCDBFHCSA-N 0 0 236.271 2.432 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000715353709 712521066 /nfs/dbraw/zinc/52/10/66/712521066.db2.gz PFGXEKWJMWIIEK-SNVBAGLBSA-N 0 0 249.226 2.467 20 5 BEBDRN CC1(C(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000159220007 712722955 /nfs/dbraw/zinc/72/29/55/712722955.db2.gz AWARXJIFMNDMKC-UHFFFAOYSA-N 0 0 238.218 2.473 20 5 BEBDRN COC(C)(C)[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000720138393 712827703 /nfs/dbraw/zinc/82/77/03/712827703.db2.gz IMFXKDIFALIFSI-QMMMGPOBSA-N 0 0 239.275 2.215 20 5 BEBDRN COC(C)(C)[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000720291009 712830379 /nfs/dbraw/zinc/83/03/79/712830379.db2.gz VZNKFDCRMZXQOI-MRVPVSSYSA-N 0 0 239.275 2.215 20 5 BEBDRN Cc1ccc(NC[C@H]2C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000720892605 712874485 /nfs/dbraw/zinc/87/44/85/712874485.db2.gz IXSSACLWGOTYFC-MGCOHNPYSA-N 0 0 236.271 2.086 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[C@H](O)C1 ZINC000720893227 712875411 /nfs/dbraw/zinc/87/54/11/712875411.db2.gz MSBUSYXWLSGEBW-MGCOHNPYSA-N 0 0 236.271 2.086 20 5 BEBDRN Nc1cn(-c2cccc([N+](=O)[O-])c2)nc1Cl ZINC001204439880 957421132 /nfs/dbraw/zinc/42/11/32/957421132.db2.gz MUCNOHFYOYEWRN-UHFFFAOYSA-N 0 0 238.634 2.016 20 5 BEBDRN CC(F)(F)CNc1cnc(F)c([N+](=O)[O-])c1 ZINC001162233404 964886694 /nfs/dbraw/zinc/88/66/94/964886694.db2.gz YDXKBYXOIUJHQW-UHFFFAOYSA-N 0 0 235.165 2.196 20 5 BEBDRN CC(C)N(C)c1nccc(Cl)c1[N+](=O)[O-] ZINC001163619177 965473048 /nfs/dbraw/zinc/47/30/48/965473048.db2.gz LAALAYYVXSCZAG-UHFFFAOYSA-N 0 0 229.667 2.488 20 5 BEBDRN Cc1nc(N2CC[C@H]3CCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001772506070 1165773529 /nfs/dbraw/zinc/77/35/29/1165773529.db2.gz MNQNKGHVZRYZQH-ZJUUUORDSA-N 0 0 248.286 2.072 20 5 BEBDRN C[C@H](CNc1nn(C)cc1[N+](=O)[O-])C(C)(C)C ZINC000231670171 1166765352 /nfs/dbraw/zinc/76/53/52/1166765352.db2.gz PGTYIHWQOVBIBC-MRVPVSSYSA-N 0 0 240.307 2.422 20 5 BEBDRN O=[N+]([O-])c1ccc(F)c(F)c1O[C@@H]1CCOC1 ZINC000304383511 1166916774 /nfs/dbraw/zinc/91/67/74/1166916774.db2.gz LFKVPSIBJWBILK-ZCFIWIBFSA-N 0 0 245.181 2.041 20 5 BEBDRN CC(C)C(Oc1ncc([N+](=O)[O-])cn1)C(C)C ZINC001226733264 975050735 /nfs/dbraw/zinc/05/07/35/975050735.db2.gz LCTVDVZXIQRFCJ-UHFFFAOYSA-N 0 0 239.275 2.444 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(O[C@H]2C=CCC2)n1 ZINC001227061804 975247837 /nfs/dbraw/zinc/24/78/37/975247837.db2.gz AKYISHJSPBGRCC-VIFPVBQESA-N 0 0 220.228 2.396 20 5 BEBDRN CC[C@H](C)Nc1nccc(OC)c1[N+](=O)[O-] ZINC001168000675 1167134146 /nfs/dbraw/zinc/13/41/46/1167134146.db2.gz SIRNIYYKLSNYDK-ZETCQYMHSA-N 0 0 225.248 2.209 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC[C@H]1C[C@@H]1C ZINC000309511061 1167324281 /nfs/dbraw/zinc/32/42/81/1167324281.db2.gz XHWBZZRFMXEYOF-IONNQARKSA-N 0 0 221.260 2.366 20 5 BEBDRN Nc1cccn1-c1cc([N+](=O)[O-])ccc1F ZINC001175733850 977672158 /nfs/dbraw/zinc/67/21/58/977672158.db2.gz JWRMIGSXONLAJK-UHFFFAOYSA-N 0 0 221.191 2.107 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ncc1NC1CSC1 ZINC001168362319 1167554419 /nfs/dbraw/zinc/55/44/19/1167554419.db2.gz SQQXRPCTPOJBIH-UHFFFAOYSA-N 0 0 245.691 2.171 20 5 BEBDRN CC(C)Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001233573425 978631828 /nfs/dbraw/zinc/63/18/28/978631828.db2.gz QNASCRJJDQAWGN-UHFFFAOYSA-N 0 0 226.188 2.290 20 5 BEBDRN COC[C@H](C)Oc1c(F)cc(F)cc1[N+](=O)[O-] ZINC001233696226 978675503 /nfs/dbraw/zinc/67/55/03/978675503.db2.gz QJSAZIAVCADXQM-LURJTMIESA-N 0 0 247.197 2.287 20 5 BEBDRN CC(C)(F)CCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001339774885 978908901 /nfs/dbraw/zinc/90/89/01/978908901.db2.gz WCNWIUJOWSQOMX-UHFFFAOYSA-N 0 0 242.254 2.122 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C1=CCCCC1 ZINC001344999331 980515902 /nfs/dbraw/zinc/51/59/02/980515902.db2.gz JQDHEYKLFUFVEJ-JTQLQIEISA-N 0 0 227.260 2.085 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC1(C)C ZINC001345689392 980669892 /nfs/dbraw/zinc/66/98/92/980669892.db2.gz GWLQWNUBXDKINX-BDAKNGLRSA-N 0 0 229.276 2.021 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Cn1cc(C)cn1 ZINC000871733663 1168911990 /nfs/dbraw/zinc/91/19/90/1168911990.db2.gz MIJFHWVBWSQJTD-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(F)cc1O[C@@H]1CCOC1 ZINC001225776946 974678495 /nfs/dbraw/zinc/67/84/95/974678495.db2.gz MWCXEUIAAAKRIT-ZCFIWIBFSA-N 0 0 245.181 2.041 20 5 BEBDRN Cc1cnc(CO[C@@H](C[N+](=O)[O-])C2CC2)s1 ZINC001223859784 973308028 /nfs/dbraw/zinc/30/80/28/973308028.db2.gz KXVIZQLHSPQNCP-VIFPVBQESA-N 0 0 242.300 2.023 20 5 BEBDRN C[C@H]1C[C@H]1c1nnc(-c2cncc([N+](=O)[O-])c2)o1 ZINC001256727470 970949684 /nfs/dbraw/zinc/94/96/84/970949684.db2.gz NTLCDJPLLJVBGB-IMTBSYHQSA-N 0 0 246.226 2.163 20 5 BEBDRN CC[C@H](C)CO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001224665890 973838550 /nfs/dbraw/zinc/83/85/50/973838550.db2.gz XVHIESIWYPJOQF-CMPLNLGQSA-N 0 0 238.287 2.462 20 5 BEBDRN Cc1cc(O[C@H]2C[C@H](O)C2)cc([N+](=O)[O-])c1C ZINC001218363710 971744987 /nfs/dbraw/zinc/74/49/87/971744987.db2.gz AIUKVLWFZYUJKB-HOMQSWHASA-N 0 0 237.255 2.114 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1O[C@H]1C[C@@H](O)C1 ZINC001218413377 971785362 /nfs/dbraw/zinc/78/53/62/971785362.db2.gz KEHBYEXHAMPYGG-OCAPTIKFSA-N 0 0 243.646 2.150 20 5 BEBDRN CCC=CNc1ccc([N+](=O)[O-])c(OC)n1 ZINC001159667626 972008744 /nfs/dbraw/zinc/00/87/44/972008744.db2.gz DNOYCTAJBRHPSW-QPJJXVBHSA-N 0 0 223.232 2.334 20 5 BEBDRN CCCC=Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001159667520 972010975 /nfs/dbraw/zinc/01/09/75/972010975.db2.gz AYXRKBHMDTZIFO-HWKANZROSA-N 0 0 243.650 2.217 20 5 BEBDRN CCCC=Nc1nc(C)ncc1[N+](=O)[O-] ZINC001159668349 972011191 /nfs/dbraw/zinc/01/11/91/972011191.db2.gz PUDPDAAPJPHQOH-SNAWJCMRSA-N 0 0 208.221 2.029 20 5 BEBDRN Cc1cccc(NCc2cncnc2)c1[N+](=O)[O-] ZINC001167261455 957604463 /nfs/dbraw/zinc/60/44/63/957604463.db2.gz UTZMOEFSNGWLCW-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NC1CC(=O)C1 ZINC001167341626 957802064 /nfs/dbraw/zinc/80/20/64/957802064.db2.gz XNXGYHZORYLTBH-UHFFFAOYSA-N 0 0 220.228 2.047 20 5 BEBDRN Cc1ccc(Cn2ccnc2[N+](=O)[O-])cc1F ZINC001307385082 958146960 /nfs/dbraw/zinc/14/69/60/958146960.db2.gz HYDYULAKEJPPJO-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN Cc1ccc(OC[C@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000402456793 958228968 /nfs/dbraw/zinc/22/89/68/958228968.db2.gz YAIZBDGSVDTJNW-LBPRGKRZSA-N 0 0 237.255 2.053 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccsc1C ZINC001349804822 958831886 /nfs/dbraw/zinc/83/18/86/958831886.db2.gz BVAANKWPDOGASO-MRVPVSSYSA-N 0 0 243.284 2.269 20 5 BEBDRN CC(=O)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001167628688 959130104 /nfs/dbraw/zinc/13/01/04/959130104.db2.gz XADOFBPVQPSEAF-UHFFFAOYSA-N 0 0 245.238 2.144 20 5 BEBDRN Cc1conc1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000708354869 959360693 /nfs/dbraw/zinc/36/06/93/959360693.db2.gz ZBKURIRZSBSEBZ-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC1(C)CC[C@@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000695467083 960262585 /nfs/dbraw/zinc/26/25/85/960262585.db2.gz FINHPRFAOMDUQG-QMMMGPOBSA-N 0 0 237.259 2.296 20 5 BEBDRN CC(C)=CCCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001327216078 972501811 /nfs/dbraw/zinc/50/18/11/972501811.db2.gz CTOFNGXWCPBYAT-UHFFFAOYSA-N 0 0 240.219 2.056 20 5 BEBDRN O=[N+]([O-])C[C@@H](OCc1ccsc1)C1CC1 ZINC001223337268 961226047 /nfs/dbraw/zinc/22/60/47/961226047.db2.gz VVLBUUJZGFERPR-SNVBAGLBSA-N 0 0 227.285 2.320 20 5 BEBDRN N=CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001167865781 961345811 /nfs/dbraw/zinc/34/58/11/961345811.db2.gz ZLCWVOXXXYZWKM-UHFFFAOYSA-N 0 0 216.200 2.162 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(NC2(C)CCC2)n1 ZINC000168122084 961883157 /nfs/dbraw/zinc/88/31/57/961883157.db2.gz AUVIAPFMVRQRAI-UHFFFAOYSA-N 0 0 237.259 2.353 20 5 BEBDRN COc1ccc([N+](=O)[O-])nc1NCC(C)(C)C ZINC001161639391 962934795 /nfs/dbraw/zinc/93/47/95/962934795.db2.gz OZTIZZNYYTVAII-UHFFFAOYSA-N 0 0 239.275 2.456 20 5 BEBDRN Cc1ccc(OC[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000302335726 963005756 /nfs/dbraw/zinc/00/57/56/963005756.db2.gz SZPFYRXZNSUHPN-LBPRGKRZSA-N 0 0 239.271 2.299 20 5 BEBDRN COCCO[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001204979257 963290721 /nfs/dbraw/zinc/29/07/21/963290721.db2.gz WACLWCLSFBOMDZ-VIFPVBQESA-N 0 0 225.244 2.319 20 5 BEBDRN Cc1nc(N2C[C@@H](C)CC23CC3)ncc1[N+](=O)[O-] ZINC001156426650 963344560 /nfs/dbraw/zinc/34/45/60/963344560.db2.gz SKECTWLQNHKYNI-QMMMGPOBSA-N 0 0 248.286 2.072 20 5 BEBDRN O=[N+]([O-])c1cnc(OC2CC2)cc1Cl ZINC001226915705 963404774 /nfs/dbraw/zinc/40/47/74/963404774.db2.gz NZOLKUXNKBUJRJ-UHFFFAOYSA-N 0 0 214.608 2.184 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC[C@H]1CCO1 ZINC001226968944 963420101 /nfs/dbraw/zinc/42/01/01/963420101.db2.gz KCEHQDYHYGZDRS-SECBINFHSA-N 0 0 223.228 2.071 20 5 BEBDRN CC(=O)CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC001156779866 963459296 /nfs/dbraw/zinc/45/92/96/963459296.db2.gz GLAFWOCPMOUUSO-UHFFFAOYSA-N 0 0 245.238 2.144 20 5 BEBDRN CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC)n1 ZINC001157231095 963553041 /nfs/dbraw/zinc/55/30/41/963553041.db2.gz XSMBLJJEAXOOJT-SSDOTTSWSA-N 0 0 225.248 2.209 20 5 BEBDRN CC[C@H](C)Nc1ccc([N+](=O)[O-])c(OC)n1 ZINC001157231097 963553378 /nfs/dbraw/zinc/55/33/78/963553378.db2.gz XSMBLJJEAXOOJT-ZETCQYMHSA-N 0 0 225.248 2.209 20 5 BEBDRN N#CNc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001157822732 963730026 /nfs/dbraw/zinc/73/00/26/963730026.db2.gz SRHKDILCLKUMCZ-UHFFFAOYSA-N 0 0 249.617 2.084 20 5 BEBDRN C[C@@H](Oc1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001228302305 963737304 /nfs/dbraw/zinc/73/73/04/963737304.db2.gz JDMSXWZLTGOYHN-MRVPVSSYSA-N 0 0 233.227 2.458 20 5 BEBDRN N#CNc1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001157822720 963738673 /nfs/dbraw/zinc/73/86/73/963738673.db2.gz SBMPHDNHEKLVBU-UHFFFAOYSA-N 0 0 249.617 2.084 20 5 BEBDRN N#CNc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001157822724 963738821 /nfs/dbraw/zinc/73/88/21/963738821.db2.gz SHVPCCHATVZNAU-UHFFFAOYSA-N 0 0 233.014 2.190 20 5 BEBDRN N#CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC001157824906 963741139 /nfs/dbraw/zinc/74/11/39/963741139.db2.gz WVSJPJPUCRBEFX-UHFFFAOYSA-N 0 0 214.184 2.036 20 5 BEBDRN Nc1cc(NC(C2CC2)C2CC2)ncc1[N+](=O)[O-] ZINC001157920837 963765122 /nfs/dbraw/zinc/76/51/22/963765122.db2.gz NZERJEMADJIVAI-UHFFFAOYSA-N 0 0 248.286 2.173 20 5 BEBDRN COc1nc(N2C3CCC2CC3)ccc1[N+](=O)[O-] ZINC001159077652 963989848 /nfs/dbraw/zinc/98/98/48/963989848.db2.gz DACMQEQPLNJMFZ-UHFFFAOYSA-N 0 0 249.270 2.130 20 5 BEBDRN O=[N+]([O-])C[C@H](OCc1cccs1)C1CC1 ZINC001223864871 964272442 /nfs/dbraw/zinc/27/24/42/964272442.db2.gz ITLLDTIOJLSVES-JTQLQIEISA-N 0 0 227.285 2.320 20 5 BEBDRN CCC1(Nc2c(C)cccc2[N+](=O)[O-])COC1 ZINC001168324128 964451209 /nfs/dbraw/zinc/45/12/09/964451209.db2.gz SCBNWGUKPSUSKJ-UHFFFAOYSA-N 0 0 236.271 2.494 20 5 BEBDRN CCC1(Nc2cc(N)c([N+](=O)[O-])cn2)CCC1 ZINC001161562830 964640879 /nfs/dbraw/zinc/64/08/79/964640879.db2.gz ROPKBMKAIGSBEX-UHFFFAOYSA-N 0 0 236.275 2.317 20 5 BEBDRN Cc1ccccc1CNc1cnc([N+](=O)[O-])cn1 ZINC001161621159 964647008 /nfs/dbraw/zinc/64/70/08/964647008.db2.gz VVRPKWIMSKBFHD-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN COc1ncc([N+](=O)[O-])cc1NCC(C)(C)C ZINC001161639192 964657895 /nfs/dbraw/zinc/65/78/95/964657895.db2.gz IIMODVHQAFACAK-UHFFFAOYSA-N 0 0 239.275 2.456 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NCC(C)(F)F ZINC001162225959 964884527 /nfs/dbraw/zinc/88/45/27/964884527.db2.gz JNHPMEMMLIPLLC-UHFFFAOYSA-N 0 0 247.201 2.066 20 5 BEBDRN O=[N+]([O-])c1ncccc1N[C@@H]1C=CCC1 ZINC000698236074 965124915 /nfs/dbraw/zinc/12/49/15/965124915.db2.gz VDNMYYPGMVXWBU-MRVPVSSYSA-N 0 0 205.217 2.120 20 5 BEBDRN CCc1nn(C)c(N[C@H]2C=CCC2)c1[N+](=O)[O-] ZINC000698293754 965188306 /nfs/dbraw/zinc/18/83/06/965188306.db2.gz OCXQNIHSUHDMCE-QMMMGPOBSA-N 0 0 236.275 2.021 20 5 BEBDRN CC(C)=CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046149372 965215559 /nfs/dbraw/zinc/21/55/59/965215559.db2.gz BUDJTDHTNJEUAR-UHFFFAOYSA-N 0 0 234.255 2.177 20 5 BEBDRN CC[C@H](COc1c(C)ccnc1[N+](=O)[O-])OC ZINC001233554764 965516097 /nfs/dbraw/zinc/51/60/97/965516097.db2.gz AQZMZFYJUJVQHS-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN CC1(C)CN(c2cc([N+](=O)[O-])c3cc[nH]c3n2)C1 ZINC001163726912 965540146 /nfs/dbraw/zinc/54/01/46/965540146.db2.gz BXZQHDGQVUMQCR-UHFFFAOYSA-N 0 0 246.270 2.317 20 5 BEBDRN CCCOCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000714976466 965573405 /nfs/dbraw/zinc/57/34/05/965573405.db2.gz YEAXAEMLIXNXHY-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN O=[N+]([O-])c1cc(O[C@@H]2C=CCC2)ccn1 ZINC001233857423 965599680 /nfs/dbraw/zinc/59/96/80/965599680.db2.gz LIUUUJMJCQRTOU-MRVPVSSYSA-N 0 0 206.201 2.087 20 5 BEBDRN Cc1conc1COc1cccc([N+](=O)[O-])c1 ZINC001164575718 965920247 /nfs/dbraw/zinc/92/02/47/965920247.db2.gz SXJZKHIRBGNJLG-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN CN(c1cccc([N+](=O)[O-])n1)C(C)(C)C ZINC001166530311 966284554 /nfs/dbraw/zinc/28/45/54/966284554.db2.gz SLPBJUVESKLMMM-UHFFFAOYSA-N 0 0 209.249 2.225 20 5 BEBDRN Cc1ncccc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203560986 966689825 /nfs/dbraw/zinc/68/98/25/966689825.db2.gz SLSJCSOHIPCMBA-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccc(O)cc2O)cn1 ZINC001203571760 966694076 /nfs/dbraw/zinc/69/40/76/966694076.db2.gz OXVFPJYSRBQPET-UHFFFAOYSA-N 0 0 247.210 2.145 20 5 BEBDRN Cc1ncc(Nc2ccc([N+](=O)[O-])nc2)c(C)n1 ZINC001203568590 966697661 /nfs/dbraw/zinc/69/76/61/966697661.db2.gz FUIADJDZFXOENU-UHFFFAOYSA-N 0 0 245.242 2.140 20 5 BEBDRN Cc1ccc(CNc2cc([N+](=O)[O-])ccn2)cn1 ZINC000062054822 966967483 /nfs/dbraw/zinc/96/74/83/966967483.db2.gz NDVUOZGOLZKPIM-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1c(Nc2cccc([N+](=O)[O-])c2)cnn1C ZINC001204407840 966992715 /nfs/dbraw/zinc/99/27/15/966992715.db2.gz UGGMURNWEREJOO-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN O=[N+]([O-])C[C@@H](OCCc1ccccc1)C1CC1 ZINC001205000994 967281787 /nfs/dbraw/zinc/28/17/87/967281787.db2.gz ZOLYXZWTFNQBIP-CYBMUJFWSA-N 0 0 235.283 2.301 20 5 BEBDRN C[C@H]1C[C@H]1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000132281624 967532970 /nfs/dbraw/zinc/53/29/70/967532970.db2.gz HAOMAHDGPKYGAZ-BQBZGAKWSA-N 0 0 248.242 2.199 20 5 BEBDRN Cc1oncc1CNc1nc(C)ccc1[N+](=O)[O-] ZINC001162272563 967779954 /nfs/dbraw/zinc/77/99/54/967779954.db2.gz LUSVLKSSXAKEEK-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1ccnc(N[C@H](C)c2ccno2)c1[N+](=O)[O-] ZINC001163207970 968007073 /nfs/dbraw/zinc/00/70/73/968007073.db2.gz GRRBDTUSGMJCEH-MRVPVSSYSA-N 0 0 248.242 2.459 20 5 BEBDRN Cc1nc(Cl)c([N+](=O)[O-])c(N(C)C(C)C)n1 ZINC001163619480 968082466 /nfs/dbraw/zinc/08/24/66/968082466.db2.gz SGNGBKJFGIAXGY-UHFFFAOYSA-N 0 0 244.682 2.191 20 5 BEBDRN CC(C)C[C@@H](C)Cn1ccnc1[N+](=O)[O-] ZINC000821502244 968491959 /nfs/dbraw/zinc/49/19/59/968491959.db2.gz WEEONFQGWQJIFR-SECBINFHSA-N 0 0 211.265 2.474 20 5 BEBDRN CC(C)C[C@H](C)Cn1ccnc1[N+](=O)[O-] ZINC000821502246 968493689 /nfs/dbraw/zinc/49/36/89/968493689.db2.gz WEEONFQGWQJIFR-VIFPVBQESA-N 0 0 211.265 2.474 20 5 BEBDRN CCn1nccc1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209933076 969694685 /nfs/dbraw/zinc/69/46/85/969694685.db2.gz XFKMAEAWFRJUMK-UHFFFAOYSA-N 0 0 247.258 2.137 20 5 BEBDRN Nc1ccc(Nc2ccc(F)cn2)cc1[N+](=O)[O-] ZINC001209931676 969697671 /nfs/dbraw/zinc/69/76/71/969697671.db2.gz BVOFEFXXBZGZMW-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN [CH2]CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254548105 969735184 /nfs/dbraw/zinc/73/51/84/969735184.db2.gz JYKOKTDJOQHZDA-SNVBAGLBSA-N 0 0 221.280 2.340 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1[CH]CC=C1)C2 ZINC001254589193 969745051 /nfs/dbraw/zinc/74/50/51/969745051.db2.gz NNAWQYGHHLFCQI-QWHCGFSZSA-N 0 0 243.286 2.184 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1[CH]CC=C1)C2 ZINC001254589190 969746048 /nfs/dbraw/zinc/74/60/48/969746048.db2.gz NNAWQYGHHLFCQI-CHWSQXEVSA-N 0 0 243.286 2.184 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2cnoc2)c1F ZINC001210379398 969880924 /nfs/dbraw/zinc/88/09/24/969880924.db2.gz XVCBAHAGYWDVGW-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN Cc1ncc(Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC001210393465 969881888 /nfs/dbraw/zinc/88/18/88/969881888.db2.gz VIVCPZQCLJCQLS-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Nc1ccnn1C ZINC001210443537 969888842 /nfs/dbraw/zinc/88/88/42/969888842.db2.gz IYIPIVAXTRTPLU-UHFFFAOYSA-N 0 0 248.242 2.081 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Nc1cnccn1 ZINC001210444218 969889537 /nfs/dbraw/zinc/88/95/37/969889537.db2.gz UUXDOLDTOZRDMY-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN CCc1nnc(Cc2cc(C)ccc2[N+](=O)[O-])o1 ZINC001255096616 969931111 /nfs/dbraw/zinc/93/11/11/969931111.db2.gz NCXXTZSFVVDFAW-UHFFFAOYSA-N 0 0 247.254 2.439 20 5 BEBDRN CCc1nnc(-c2c(F)cccc2[N+](=O)[O-])o1 ZINC001255132001 969948197 /nfs/dbraw/zinc/94/81/97/969948197.db2.gz LCVILNMBWWZZSM-UHFFFAOYSA-N 0 0 237.190 2.346 20 5 BEBDRN CC(=O)CNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001156781282 970002759 /nfs/dbraw/zinc/00/27/59/970002759.db2.gz WFQKQINZBQBERD-UHFFFAOYSA-N 0 0 245.238 2.144 20 5 BEBDRN O=[N+]([O-])c1ncccc1-c1nnc(C2CCC2)o1 ZINC001255226068 970008571 /nfs/dbraw/zinc/00/85/71/970008571.db2.gz OZLZXIYQGMLCLT-UHFFFAOYSA-N 0 0 246.226 2.307 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1Nc1ccnnc1 ZINC001210951721 970087457 /nfs/dbraw/zinc/08/74/57/970087457.db2.gz NYJYLHIVWGUMIP-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1Nc1cnoc1 ZINC001210952100 970089889 /nfs/dbraw/zinc/08/98/89/970089889.db2.gz VVPDKRKNDYVFAV-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2cncnc2)ccc1F ZINC001211188035 970170144 /nfs/dbraw/zinc/17/01/44/970170144.db2.gz FYGWRNNBPHOKSR-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN Cc1ccc(Nc2ccnnc2)cc1[N+](=O)[O-] ZINC001213661813 970377462 /nfs/dbraw/zinc/37/74/62/970377462.db2.gz VXDLIFMFXXLFKR-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ccc(Nc2cnc(N)cn2)c([N+](=O)[O-])c1 ZINC001214167663 970448430 /nfs/dbraw/zinc/44/84/30/970448430.db2.gz RYYGHQHEJARZBR-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN Cc1ccc(Nc2ccnnc2)c([N+](=O)[O-])c1 ZINC001214167382 970448537 /nfs/dbraw/zinc/44/85/37/970448537.db2.gz JDWSQCFDYAUJNR-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ccc(Nc2cnncc2N)c([N+](=O)[O-])c1 ZINC001214167389 970449467 /nfs/dbraw/zinc/44/94/67/970449467.db2.gz JLUSUCVFGXSIHU-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN Nc1cccn1-c1c(F)ccc([N+](=O)[O-])c1F ZINC001215289137 970697557 /nfs/dbraw/zinc/69/75/57/970697557.db2.gz DVSQVQUATXNCKL-UHFFFAOYSA-N 0 0 239.181 2.246 20 5 BEBDRN O=[N+]([O-])C[C@@H](OCC1CCCC1)C1CC1 ZINC001222709199 972656769 /nfs/dbraw/zinc/65/67/69/972656769.db2.gz VKIRIBHRSSHNET-LLVKDONJSA-N 0 0 213.277 2.249 20 5 BEBDRN C[C@H]1COC[C@@H]1OCc1cccc([N+](=O)[O-])c1 ZINC001222768313 972690282 /nfs/dbraw/zinc/69/02/82/972690282.db2.gz IBZHEDAFDMQIQB-CABZTGNLSA-N 0 0 237.255 2.146 20 5 BEBDRN O=[N+]([O-])c1ccc(COC[C@H]2CCCO2)cc1 ZINC001222791422 972696563 /nfs/dbraw/zinc/69/65/63/972696563.db2.gz QTIWRKPPRLBLBW-GFCCVEGCSA-N 0 0 237.255 2.290 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC3CCC2CC3)cn1 ZINC001327954399 972830481 /nfs/dbraw/zinc/83/04/81/972830481.db2.gz UUCMNJHQTUDOQR-UHFFFAOYSA-N 0 0 233.271 2.369 20 5 BEBDRN Cc1cc(NC[C@@H]2CCOC2)c([N+](=O)[O-])s1 ZINC001327958493 972830961 /nfs/dbraw/zinc/83/09/61/972830961.db2.gz VOAILJVJXBBLHH-QMMMGPOBSA-N 0 0 242.300 2.413 20 5 BEBDRN Cc1ccc(CO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC001223223019 972890428 /nfs/dbraw/zinc/89/04/28/972890428.db2.gz VHYAQEWNOAILMI-LLVKDONJSA-N 0 0 237.255 2.209 20 5 BEBDRN CC[C@@H](C)CO[C@H](C[N+](=O)[O-])C1CC1 ZINC001224664463 973838773 /nfs/dbraw/zinc/83/87/73/973838773.db2.gz PJHANJLKJJDNCP-PSASIEDQSA-N 0 0 201.266 2.104 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CCC[C@H]2C[C@H]21 ZINC001330319235 974227189 /nfs/dbraw/zinc/22/71/89/974227189.db2.gz PSBSYWJEBPXJIF-VHSXEESVSA-N 0 0 233.271 2.287 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1cc(F)cc(F)c1)C1CC1 ZINC001225226679 974269293 /nfs/dbraw/zinc/26/92/93/974269293.db2.gz UCYJMPLCGYHQJH-NSHDSACASA-N 0 0 243.209 2.399 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1cccc(F)c1)C1CC1 ZINC001225229437 974274361 /nfs/dbraw/zinc/27/43/61/974274361.db2.gz YDDDSPROCWPGLL-LLVKDONJSA-N 0 0 225.219 2.260 20 5 BEBDRN COc1ccc(O[C@@H](C[N+](=O)[O-])C2CC2)cc1 ZINC001225254503 974312190 /nfs/dbraw/zinc/31/21/90/974312190.db2.gz JNKCVJQHZMKPLI-LBPRGKRZSA-N 0 0 237.255 2.129 20 5 BEBDRN CC(=O)[C@H](C)Oc1ccc(F)c([N+](=O)[O-])c1 ZINC001225381472 974459612 /nfs/dbraw/zinc/45/96/12/974459612.db2.gz FWEQOGNHKHLNPP-ZETCQYMHSA-N 0 0 227.191 2.090 20 5 BEBDRN COC[C@H](C)Oc1c(Cl)nccc1[N+](=O)[O-] ZINC001225430498 974484231 /nfs/dbraw/zinc/48/42/31/974484231.db2.gz CKFHOBNLRJJFBR-LURJTMIESA-N 0 0 246.650 2.057 20 5 BEBDRN CO[C@H](C)COc1c(Cl)nccc1[N+](=O)[O-] ZINC001225432159 974485097 /nfs/dbraw/zinc/48/50/97/974485097.db2.gz YZQHBQKQTALVBS-ZCFIWIBFSA-N 0 0 246.650 2.057 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1cccnc1Cl)C1CC1 ZINC001225588058 974575255 /nfs/dbraw/zinc/57/52/55/974575255.db2.gz MAQPHNWXJXMVFT-VIFPVBQESA-N 0 0 242.662 2.169 20 5 BEBDRN O=[N+]([O-])c1cccnc1OC1CCSCC1 ZINC001225592300 974580783 /nfs/dbraw/zinc/58/07/83/974580783.db2.gz FAZIERQRKDCJNJ-UHFFFAOYSA-N 0 0 240.284 2.264 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2C=CCCC2)nc1 ZINC001225629845 974605792 /nfs/dbraw/zinc/60/57/92/974605792.db2.gz CBMIXEPPWNEUJD-JTQLQIEISA-N 0 0 220.228 2.477 20 5 BEBDRN Cc1cc(O[C@H](C)C2CC2)ncc1[N+](=O)[O-] ZINC001225657967 974628901 /nfs/dbraw/zinc/62/89/01/974628901.db2.gz VWSOLPFZPDRWMT-MRVPVSSYSA-N 0 0 222.244 2.476 20 5 BEBDRN CC[C@@H](COC)Oc1cc(C)c([N+](=O)[O-])cn1 ZINC001225662907 974631237 /nfs/dbraw/zinc/63/12/37/974631237.db2.gz OQDDHDDXMMSYEZ-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1cc(O[C@H]2C=CCC2)ncc1[N+](=O)[O-] ZINC001225661222 974631557 /nfs/dbraw/zinc/63/15/57/974631557.db2.gz IZRDQIHEMCIIAN-VIFPVBQESA-N 0 0 220.228 2.396 20 5 BEBDRN C[C@@H]1CC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225665969 974633750 /nfs/dbraw/zinc/63/37/50/974633750.db2.gz DVBWUANJSYEKCS-SFYZADRCSA-N 0 0 238.243 2.263 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1cccc(F)c1F)C1CC1 ZINC001225924722 974731970 /nfs/dbraw/zinc/73/19/70/974731970.db2.gz QWTHJLMOMHFOAX-SNVBAGLBSA-N 0 0 243.209 2.399 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1O[C@@H]1CCCOC1 ZINC001226008075 974761600 /nfs/dbraw/zinc/76/16/00/974761600.db2.gz XQOCNKXQXBTLQA-MRVPVSSYSA-N 0 0 241.218 2.292 20 5 BEBDRN CC[C@@H](COC)Oc1nccc(C)c1[N+](=O)[O-] ZINC001226117863 974797784 /nfs/dbraw/zinc/79/77/84/974797784.db2.gz GPVFSEIELGXZQB-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN CC(=O)[C@@H](C)Oc1cc([N+](=O)[O-])c(F)cc1F ZINC001226190666 974824012 /nfs/dbraw/zinc/82/40/12/974824012.db2.gz KWQVDUQXBAXRSF-ZCFIWIBFSA-N 0 0 245.181 2.229 20 5 BEBDRN O=[N+]([O-])c1cc(OC[C@H]2CCO2)c(F)cc1F ZINC001226192566 974824930 /nfs/dbraw/zinc/82/49/30/974824930.db2.gz WXFMBTHHTFWKPZ-ZCFIWIBFSA-N 0 0 245.181 2.041 20 5 BEBDRN COc1cc(O[C@H]2C=CCC2)ncc1[N+](=O)[O-] ZINC001226580820 974963917 /nfs/dbraw/zinc/96/39/17/974963917.db2.gz FPAQVVXTZUOKAP-QMMMGPOBSA-N 0 0 236.227 2.096 20 5 BEBDRN COc1cc(OC2CCCC2)ncc1[N+](=O)[O-] ZINC001226581466 974965299 /nfs/dbraw/zinc/96/52/99/974965299.db2.gz QTNFSWXIFPQNAH-UHFFFAOYSA-N 0 0 238.243 2.320 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2C=CCC2)cn1 ZINC001226712332 975045785 /nfs/dbraw/zinc/04/57/85/975045785.db2.gz LJRUXNUJZQYZIC-MRVPVSSYSA-N 0 0 206.201 2.087 20 5 BEBDRN CCC[C@H](CC)Oc1ncc([N+](=O)[O-])cn1 ZINC001226731546 975052553 /nfs/dbraw/zinc/05/25/53/975052553.db2.gz PAZMCXONODGEBG-VIFPVBQESA-N 0 0 225.248 2.342 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001226761172 975061540 /nfs/dbraw/zinc/06/15/40/975061540.db2.gz GJKQKMLKHHDLIV-DOFRTFSJSA-N 0 0 234.255 2.476 20 5 BEBDRN CC(C)N1CC(Oc2cccc([N+](=O)[O-])c2)C1 ZINC001226763571 975064085 /nfs/dbraw/zinc/06/40/85/975064085.db2.gz WPHHHSJGNMEUAZ-UHFFFAOYSA-N 0 0 236.271 2.066 20 5 BEBDRN C[C@H]1COC[C@@H]1Oc1cccc([N+](=O)[O-])c1 ZINC001226765712 975067153 /nfs/dbraw/zinc/06/71/53/975067153.db2.gz USMRPBPWSXGNJX-KWQFWETISA-N 0 0 223.228 2.009 20 5 BEBDRN O=[N+]([O-])c1cccc(O[C@@H]2CCn3ccnc32)c1 ZINC001226766114 975069348 /nfs/dbraw/zinc/06/93/48/975069348.db2.gz ZDQHSLVRIXGYQV-LLVKDONJSA-N 0 0 245.238 2.315 20 5 BEBDRN Cc1cc(O[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC001226841460 975117427 /nfs/dbraw/zinc/11/74/27/975117427.db2.gz MIVZPGKBKGTINU-LLVKDONJSA-N 0 0 237.255 2.461 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1nc2ccccc2o1)C1CC1 ZINC001226906966 975142376 /nfs/dbraw/zinc/14/23/76/975142376.db2.gz STTIHWZGJIIWQE-LLVKDONJSA-N 0 0 248.238 2.262 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1O[C@H]1COC[C@@H]1C ZINC001226968027 975196216 /nfs/dbraw/zinc/19/62/16/975196216.db2.gz CRSTVNZBKXOSCF-ONGXEEELSA-N 0 0 237.255 2.317 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(O[C@@H]2C=CCC2)n1 ZINC001227061803 975247765 /nfs/dbraw/zinc/24/77/65/975247765.db2.gz AKYISHJSPBGRCC-SECBINFHSA-N 0 0 220.228 2.396 20 5 BEBDRN Cc1cnc(O[C@@H]2C=CCC2)c([N+](=O)[O-])c1 ZINC001227237384 975321603 /nfs/dbraw/zinc/32/16/03/975321603.db2.gz UVPHVOGHAGANLW-SECBINFHSA-N 0 0 220.228 2.396 20 5 BEBDRN CC1=C[C@H](Oc2ccc([N+](=O)[O-])cc2)CC(=O)O1 ZINC001227521333 975496380 /nfs/dbraw/zinc/49/63/80/975496380.db2.gz PVJWAUVOCOYPGX-NSHDSACASA-N 0 0 249.222 2.193 20 5 BEBDRN C[C@H]1COCC[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC001227523486 975500482 /nfs/dbraw/zinc/50/04/82/975500482.db2.gz KHYOFPLFNZQOKA-JOYOIKCWSA-N 0 0 237.255 2.399 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2CCOC[C@@H]2F)cc1 ZINC001227523467 975504341 /nfs/dbraw/zinc/50/43/41/975504341.db2.gz JZZJMHLNSUWWFR-WDEREUQCSA-N 0 0 241.218 2.101 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1OC[C@H]1CCO1 ZINC001228002931 975845142 /nfs/dbraw/zinc/84/51/42/975845142.db2.gz SXEXMWLOQIJKFY-SSDOTTSWSA-N 0 0 243.646 2.416 20 5 BEBDRN COC[C@H](C)Oc1nccc(Cl)c1[N+](=O)[O-] ZINC001228015767 975855083 /nfs/dbraw/zinc/85/50/83/975855083.db2.gz XMGQWLPXQVQPFM-LURJTMIESA-N 0 0 246.650 2.057 20 5 BEBDRN C[C@H](Oc1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC001228325253 976113434 /nfs/dbraw/zinc/11/34/34/976113434.db2.gz SHWNJJUBBZDJRP-QMMMGPOBSA-N 0 0 233.227 2.458 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[C@@H]1C ZINC001334216032 976382146 /nfs/dbraw/zinc/38/21/46/976382146.db2.gz WHYLOMSAKVBLPF-IONNQARKSA-N 0 0 237.259 2.209 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@H]1C ZINC001334216029 976382859 /nfs/dbraw/zinc/38/28/59/976382859.db2.gz WHYLOMSAKVBLPF-APPZFPTMSA-N 0 0 237.259 2.209 20 5 BEBDRN C[C@H]1CCCC[C@@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228656081 976412008 /nfs/dbraw/zinc/41/20/08/976412008.db2.gz YWVUBTVVQPZQRA-WPRPVWTQSA-N 0 0 237.259 2.342 20 5 BEBDRN CCC[C@@H](CC)Oc1ncncc1[N+](=O)[O-] ZINC001228656454 976412851 /nfs/dbraw/zinc/41/28/51/976412851.db2.gz FBRRILGOIPBACW-MRVPVSSYSA-N 0 0 225.248 2.342 20 5 BEBDRN CO[C@H](C)COc1cc(C)cc([N+](=O)[O-])c1 ZINC001228833993 976507354 /nfs/dbraw/zinc/50/73/54/976507354.db2.gz XMBDQPMMZWHFQU-SECBINFHSA-N 0 0 225.244 2.317 20 5 BEBDRN O=[N+]([O-])c1ccncc1O[C@@H]1C=CCCC1 ZINC001228878923 976546081 /nfs/dbraw/zinc/54/60/81/976546081.db2.gz AGJQGWQANPZXIB-SECBINFHSA-N 0 0 220.228 2.477 20 5 BEBDRN C[C@@H](Oc1cnccc1[N+](=O)[O-])C(F)(F)F ZINC001228880472 976547081 /nfs/dbraw/zinc/54/70/81/976547081.db2.gz VLFSVEAIDZKYDY-RXMQYKEDSA-N 0 0 236.149 2.319 20 5 BEBDRN C[C@H](Oc1cnccc1[N+](=O)[O-])C(F)(F)F ZINC001228880474 976548685 /nfs/dbraw/zinc/54/86/85/976548685.db2.gz VLFSVEAIDZKYDY-YFKPBYRVSA-N 0 0 236.149 2.319 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OC[C@H]1CCO1 ZINC001228916124 976576628 /nfs/dbraw/zinc/57/66/28/976576628.db2.gz PMJLGXANOOYXMG-SNVBAGLBSA-N 0 0 223.228 2.071 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CCCOC1 ZINC001228916101 976579059 /nfs/dbraw/zinc/57/90/59/976579059.db2.gz PEIRQRKZBWQWLM-LLVKDONJSA-N 0 0 237.255 2.461 20 5 BEBDRN CC(=O)c1cccc(OC2CC2)c1[N+](=O)[O-] ZINC001229139382 976766860 /nfs/dbraw/zinc/76/68/60/976766860.db2.gz YJEFLHQUPYYXHZ-UHFFFAOYSA-N 0 0 221.212 2.339 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])cc1)c1ncccc1N ZINC001174475347 976791571 /nfs/dbraw/zinc/79/15/71/976791571.db2.gz ISVUEDJLBWBNHQ-UHFFFAOYSA-N 0 0 244.254 2.340 20 5 BEBDRN Cc1nccnc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174475350 976793015 /nfs/dbraw/zinc/79/30/15/976793015.db2.gz IVGVTFAXSWRFNG-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN COc1ccc(Nc2ccc([N+](=O)[O-])cc2)nn1 ZINC001174475867 976793429 /nfs/dbraw/zinc/79/34/29/976793429.db2.gz PCXGKAWSYZORTI-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN CC(C)OCCOc1cc([N+](=O)[O-])ccc1O ZINC001229396889 976858159 /nfs/dbraw/zinc/85/81/59/976858159.db2.gz BSWOBKJFJRQVAM-UHFFFAOYSA-N 0 0 241.243 2.104 20 5 BEBDRN O=[N+]([O-])c1ccc(O)c(OC2CC(F)(F)C2)c1 ZINC001229395097 976859224 /nfs/dbraw/zinc/85/92/24/976859224.db2.gz FICSIZOOBYUNQM-UHFFFAOYSA-N 0 0 245.181 2.477 20 5 BEBDRN Cc1cc(O)c(OC(C)C)cc1[N+](=O)[O-] ZINC001229750670 976981359 /nfs/dbraw/zinc/98/13/59/976981359.db2.gz QIQAUXVMUZNQII-UHFFFAOYSA-N 0 0 211.217 2.396 20 5 BEBDRN Cc1c(C)c([N+](=O)[O-])ccc1OC1CC(=O)C1 ZINC001229880837 977014910 /nfs/dbraw/zinc/01/49/10/977014910.db2.gz JXCHKAILEFSWGZ-UHFFFAOYSA-N 0 0 235.239 2.322 20 5 BEBDRN COC[C@H](C)Oc1ccc([N+](=O)[O-])nc1Cl ZINC001229915193 977027900 /nfs/dbraw/zinc/02/79/00/977027900.db2.gz LSIGCYLYQUMOKF-LURJTMIESA-N 0 0 246.650 2.057 20 5 BEBDRN CC(C)Oc1ccc([N+](=O)[O-])nc1Cl ZINC001229912971 977029772 /nfs/dbraw/zinc/02/97/72/977029772.db2.gz JJWOKEZWIKZYNP-UHFFFAOYSA-N 0 0 216.624 2.430 20 5 BEBDRN Cc1ccc(OC[C@@H]2CCO2)c([N+](=O)[O-])c1 ZINC001230144138 977120951 /nfs/dbraw/zinc/12/09/51/977120951.db2.gz RYGRMMFPURBTJN-VIFPVBQESA-N 0 0 223.228 2.071 20 5 BEBDRN Cn1nccc1Nc1cc([N+](=O)[O-])ccc1F ZINC001175734722 977670643 /nfs/dbraw/zinc/67/06/43/977670643.db2.gz NXARPPBOPRMXNA-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN O=[N+]([O-])c1ccc(F)c(Nc2ncco2)c1 ZINC001175735441 977672374 /nfs/dbraw/zinc/67/23/74/977672374.db2.gz VHECHZRCWPMOMD-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN Cn1nccc1Nc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175900681 977812297 /nfs/dbraw/zinc/81/22/97/977812297.db2.gz SQPOIDGDSRMQOF-VQHVLOKHSA-N 0 0 244.254 2.411 20 5 BEBDRN CC1(C)CC[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001336634104 977823303 /nfs/dbraw/zinc/82/33/03/977823303.db2.gz PPWCOBYHPIZNTG-SECBINFHSA-N 0 0 236.275 2.173 20 5 BEBDRN Cc1c(OC(=O)[C@H]2C[C@H]2F)cccc1[N+](=O)[O-] ZINC001336815768 977978655 /nfs/dbraw/zinc/97/86/55/977978655.db2.gz LNNDCICNWRPLGZ-JGVFFNPUSA-N 0 0 239.202 2.167 20 5 BEBDRN COc1ccc(Nc2cnccn2)cc1[N+](=O)[O-] ZINC001176359518 978050477 /nfs/dbraw/zinc/05/04/77/978050477.db2.gz IHPMXUZZPSNGHJ-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN C[C@H](O)C(C)(C)CNc1ccc([N+](=O)[O-])cc1 ZINC001337309916 978275777 /nfs/dbraw/zinc/27/57/77/978275777.db2.gz XYPIXLDXFLJJTP-VIFPVBQESA-N 0 0 238.287 2.414 20 5 BEBDRN Cc1cc(NC(=O)C2CC2)cc([N+](=O)[O-])c1 ZINC001337768727 978491796 /nfs/dbraw/zinc/49/17/96/978491796.db2.gz XQUMKLFNFKXOKI-UHFFFAOYSA-N 0 0 220.228 2.252 20 5 BEBDRN O=[N+]([O-])c1c(F)cc(O[C@@H]2CCOC2)cc1F ZINC001233751514 978686687 /nfs/dbraw/zinc/68/66/87/978686687.db2.gz TZADQXHHXKMKPD-ZCFIWIBFSA-N 0 0 245.181 2.041 20 5 BEBDRN CO[C@H](C)COc1cc(F)c([N+](=O)[O-])c(F)c1 ZINC001233750172 978686733 /nfs/dbraw/zinc/68/67/33/978686733.db2.gz JOMDCNIAAVNRBX-ZCFIWIBFSA-N 0 0 247.197 2.287 20 5 BEBDRN CC(C)[C@@H](C)Oc1ccnc([N+](=O)[O-])c1 ZINC001233858041 978715418 /nfs/dbraw/zinc/71/54/18/978715418.db2.gz RFBYLHUURPGSHY-MRVPVSSYSA-N 0 0 210.233 2.413 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(O[C@H](C)C(C)C)n1 ZINC001234880196 978923093 /nfs/dbraw/zinc/92/30/93/978923093.db2.gz YHQIHSDQCCNMKS-MRVPVSSYSA-N 0 0 240.259 2.422 20 5 BEBDRN CCOC[C@@H](C)Oc1c(C)nccc1[N+](=O)[O-] ZINC001234901272 978928110 /nfs/dbraw/zinc/92/81/10/978928110.db2.gz ODLCODDHBPGLSI-MRVPVSSYSA-N 0 0 240.259 2.102 20 5 BEBDRN CO[C@@H](C)CCOc1c(C)nccc1[N+](=O)[O-] ZINC001234899364 978928683 /nfs/dbraw/zinc/92/86/83/978928683.db2.gz BNGGXXWOFGQQSE-QMMMGPOBSA-N 0 0 240.259 2.102 20 5 BEBDRN CCO[C@@H](C)COc1c(C)nccc1[N+](=O)[O-] ZINC001234905054 978930295 /nfs/dbraw/zinc/93/02/95/978930295.db2.gz LWTPJTDBSCCLAE-QMMMGPOBSA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1C[C@H]1F ZINC001341869159 979580656 /nfs/dbraw/zinc/58/06/56/979580656.db2.gz KVZITYBIXQHMOF-RKDXNWHRSA-N 0 0 239.202 2.167 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccc(F)cn2)cn1 ZINC001203560164 979745787 /nfs/dbraw/zinc/74/57/87/979745787.db2.gz IIXVKJPECYUURT-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccccn2)cn1 ZINC001203560539 979754566 /nfs/dbraw/zinc/75/45/66/979754566.db2.gz MTFQCFATRNXNPV-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN Cc1ncc(Nc2ccc([N+](=O)[O-])nc2)s1 ZINC001203569001 979835376 /nfs/dbraw/zinc/83/53/76/979835376.db2.gz MZTYVPULVGZNRN-UHFFFAOYSA-N 0 0 236.256 2.498 20 5 BEBDRN Cc1ccc(OC(=O)[C@@H]2C[C@H]2F)cc1[N+](=O)[O-] ZINC001342753676 979887014 /nfs/dbraw/zinc/88/70/14/979887014.db2.gz WAKQPNNPARUYAA-RKDXNWHRSA-N 0 0 239.202 2.167 20 5 BEBDRN Cc1ccc(OC(=O)[C@H]2C[C@@H]2F)cc1[N+](=O)[O-] ZINC001342753675 979887444 /nfs/dbraw/zinc/88/74/44/979887444.db2.gz WAKQPNNPARUYAA-IUCAKERBSA-N 0 0 239.202 2.167 20 5 BEBDRN O=C(OCC=C1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001344356440 980373650 /nfs/dbraw/zinc/37/36/50/980373650.db2.gz MAOKCPSDCZEBLN-GHMZBOCLSA-N 0 0 239.271 2.085 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(C)s1 ZINC001344401088 980384272 /nfs/dbraw/zinc/38/42/72/980384272.db2.gz AXONKBURZMPLII-QMMMGPOBSA-N 0 0 243.284 2.269 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)/C=C\C1CCCC1 ZINC001344401136 980388332 /nfs/dbraw/zinc/38/83/32/980388332.db2.gz BRSZTZNLMABPCQ-SKVAFPRGSA-N 0 0 241.287 2.331 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)/C=C/C(C)(C)C ZINC001345011283 980518101 /nfs/dbraw/zinc/51/81/01/980518101.db2.gz SQGXKULPDWGUJH-XCODYQFDSA-N 0 0 229.276 2.187 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC[C@H](C)C1 ZINC001345693053 980672807 /nfs/dbraw/zinc/67/28/07/980672807.db2.gz HVNVVJHCSQAZPS-GARJFASQSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)(COC(=O)[C@H]1CCC[C@@H](F)C1)[N+](=O)[O-] ZINC001346350878 980816774 /nfs/dbraw/zinc/81/67/74/980816774.db2.gz UQVXIWIAJLANSF-DTWKUNHWSA-N 0 0 247.266 2.113 20 5 BEBDRN CC(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001190274967 980865035 /nfs/dbraw/zinc/86/50/35/980865035.db2.gz ZYMLQPQCKFYJLP-UHFFFAOYSA-N 0 0 245.238 2.047 20 5 BEBDRN O=c1[nH]ccc(N[C@@H]2C=CCCC2)c1[N+](=O)[O-] ZINC001347231184 981014378 /nfs/dbraw/zinc/01/43/78/981014378.db2.gz KYPUBHXMCQDQOZ-MRVPVSSYSA-N 0 0 235.243 2.216 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1occ(C)c1C ZINC001347430800 981077011 /nfs/dbraw/zinc/07/70/11/981077011.db2.gz QJZSOTZNRMKYII-SECBINFHSA-N 0 0 241.243 2.109 20 5 BEBDRN CC[C@H](COC)Nc1nccc(C)c1[N+](=O)[O-] ZINC000079745467 982063600 /nfs/dbraw/zinc/06/36/00/982063600.db2.gz MSAZYIGDXKBBOH-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1nn(C)cc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199802433 983019375 /nfs/dbraw/zinc/01/93/75/983019375.db2.gz OZCCVTMTZFENNL-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN CCn1cc(Nc2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC001199802305 983022115 /nfs/dbraw/zinc/02/21/15/983022115.db2.gz OIXOTLIUDVWPKR-UHFFFAOYSA-N 0 0 248.242 2.260 20 5 BEBDRN Nc1cc(NCCCC(F)F)ncc1[N+](=O)[O-] ZINC001354267252 983241983 /nfs/dbraw/zinc/24/19/83/983241983.db2.gz YIFMZMBMVZQCKG-UHFFFAOYSA-N 0 0 246.217 2.029 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCCC1CSC1 ZINC001354342555 983288262 /nfs/dbraw/zinc/28/82/62/983288262.db2.gz LKLQHGALPUKPTP-UHFFFAOYSA-N 0 0 239.300 2.155 20 5 BEBDRN Cc1nnc(-c2cc(F)cc([N+](=O)[O-])c2C)o1 ZINC001253463058 984179026 /nfs/dbraw/zinc/17/90/26/984179026.db2.gz HKBYGVUCHNVZMB-UHFFFAOYSA-N 0 0 237.190 2.401 20 5 BEBDRN CC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001437522432 984352254 /nfs/dbraw/zinc/35/22/54/984352254.db2.gz HNWAAZFMIHLPFE-UHFFFAOYSA-N 0 0 231.211 2.101 20 5 BEBDRN O=C(NC/C=C/Cl)c1cccc([N+](=O)[O-])c1 ZINC001439927851 984398075 /nfs/dbraw/zinc/39/80/75/984398075.db2.gz WCSLBCHLVCTDTB-GORDUTHDSA-N 0 0 240.646 2.077 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(SC2CCCC2)n1 ZINC001458063007 985262104 /nfs/dbraw/zinc/26/21/04/985262104.db2.gz IKBDWRJABVUFFI-UHFFFAOYSA-N 0 0 227.289 2.363 20 5 BEBDRN O=[N+]([O-])c1cn(Cc2ccccc2CF)cn1 ZINC001458890635 985360612 /nfs/dbraw/zinc/36/06/12/985360612.db2.gz DJXBTYOSKWEEMN-UHFFFAOYSA-N 0 0 235.218 2.309 20 5 BEBDRN C[C@H]1COC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000688004591 985493773 /nfs/dbraw/zinc/49/37/73/985493773.db2.gz IFTBFYZJTJIEFU-WPRPVWTQSA-N 0 0 222.244 2.042 20 5 BEBDRN C[C@H]1COC[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000688025504 985499691 /nfs/dbraw/zinc/49/96/91/985499691.db2.gz PKBNZRATWBKLPK-CPCISQLKSA-N 0 0 240.234 2.181 20 5 BEBDRN Cc1cc(N[C@H]2COC[C@H]2C)ccc1[N+](=O)[O-] ZINC000688045811 985519597 /nfs/dbraw/zinc/51/95/97/985519597.db2.gz RXAUKCRJYYXZEH-KOLCDFICSA-N 0 0 236.271 2.350 20 5 BEBDRN CCC[C@H](C)CC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471842443 987128966 /nfs/dbraw/zinc/12/89/66/987128966.db2.gz ZEJQHCSZMCCTOO-ZETCQYMHSA-N 0 0 240.263 2.083 20 5 BEBDRN C[C@@H]1C[C@H]1c1nnc(-c2ccncc2[N+](=O)[O-])o1 ZINC001256715723 987273320 /nfs/dbraw/zinc/27/33/20/987273320.db2.gz APNSQTQDFNIZQZ-HTRCEHHLSA-N 0 0 246.226 2.163 20 5 BEBDRN CC(=O)COc1c(F)cc([N+](=O)[O-])cc1Cl ZINC001473098131 987329144 /nfs/dbraw/zinc/32/91/44/987329144.db2.gz SFAOSOWYJDFHJF-UHFFFAOYSA-N 0 0 247.609 2.355 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC2(C)CC2)c1 ZINC001116123208 987451507 /nfs/dbraw/zinc/45/15/07/987451507.db2.gz CCHVLTWDNJNIDP-UHFFFAOYSA-N 0 0 234.255 2.186 20 5 BEBDRN Cc1nc(NC[C@H](C)C2CC2)ncc1[N+](=O)[O-] ZINC001117794331 987922889 /nfs/dbraw/zinc/92/28/89/987922889.db2.gz HOOSFGRPJWFOJK-ZETCQYMHSA-N 0 0 236.275 2.151 20 5 BEBDRN CC(C)(CCn1ncc([N+](=O)[O-])c1N)C1CC1 ZINC001118387191 988292985 /nfs/dbraw/zinc/29/29/85/988292985.db2.gz MWJDEJJTEOMZFB-UHFFFAOYSA-N 0 0 238.291 2.200 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CC=C(C)CC1 ZINC001322538044 988319252 /nfs/dbraw/zinc/31/92/52/988319252.db2.gz LEHDNGKBGYAQFD-UHFFFAOYSA-N 0 0 233.271 2.455 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC[C@H](C)C1CC1 ZINC001323091764 988450715 /nfs/dbraw/zinc/45/07/15/988450715.db2.gz RDWMZIBZHZORGR-QMMMGPOBSA-N 0 0 235.287 2.178 20 5 BEBDRN C[C@]1(F)CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC001118985625 988770957 /nfs/dbraw/zinc/77/09/57/988770957.db2.gz AOVRTQNTCCUWSW-NSHDSACASA-N 0 0 239.250 2.318 20 5 BEBDRN Cc1ccc(-c2noc(CC[N+](=O)[O-])n2)c(C)c1 ZINC001247521815 988923040 /nfs/dbraw/zinc/92/30/40/988923040.db2.gz QNQBTZOGXNMCED-UHFFFAOYSA-N 0 0 247.254 2.173 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1nccs1 ZINC001248746703 989140496 /nfs/dbraw/zinc/14/04/96/989140496.db2.gz NVGBAZWNVBCQKK-UHFFFAOYSA-N 0 0 236.256 2.498 20 5 BEBDRN Cc1cnc(Nc2cc([N+](=O)[O-])cnc2C)o1 ZINC001248745818 989140676 /nfs/dbraw/zinc/14/06/76/989140676.db2.gz HRRQQUMUKYWLGI-UHFFFAOYSA-N 0 0 234.215 2.338 20 5 BEBDRN Cc1cc(Nc2cc([N+](=O)[O-])cnc2C)no1 ZINC001248746684 989140706 /nfs/dbraw/zinc/14/07/06/989140706.db2.gz NLDVHOCQTMBAGB-UHFFFAOYSA-N 0 0 234.215 2.338 20 5 BEBDRN Cc1cc(Nc2cc([N+](=O)[O-])cnc2C)on1 ZINC001248745740 989142252 /nfs/dbraw/zinc/14/22/52/989142252.db2.gz GXZDFWODIOHXOH-UHFFFAOYSA-N 0 0 234.215 2.338 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CC12CCCC2 ZINC001517192515 989206643 /nfs/dbraw/zinc/20/66/43/989206643.db2.gz HSHASRSNMIIVOS-VHSXEESVSA-N 0 0 241.287 2.165 20 5 BEBDRN CCn1cc(Nc2cc([N+](=O)[O-])cnc2C)cn1 ZINC001249544192 989298874 /nfs/dbraw/zinc/29/88/74/989298874.db2.gz HZVVKHXCUGUHMS-UHFFFAOYSA-N 0 0 247.258 2.258 20 5 BEBDRN Cc1ccc([C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)cc1 ZINC001119810166 989413916 /nfs/dbraw/zinc/41/39/16/989413916.db2.gz KJPJPGFFDRGXEV-CYBMUJFWSA-N 0 0 234.299 2.061 20 5 BEBDRN Cc1nc(N[C@@H]2C[C@@H]3CCC[C@H]23)ncc1[N+](=O)[O-] ZINC001119984559 989542688 /nfs/dbraw/zinc/54/26/88/989542688.db2.gz WHCCIMCQKLXZAL-LPEHRKFASA-N 0 0 248.286 2.294 20 5 BEBDRN Cc1nc(N(C)CCC(C)C)ncc1[N+](=O)[O-] ZINC001326491830 989583464 /nfs/dbraw/zinc/58/34/64/989583464.db2.gz IUXPQRIRHRROKN-UHFFFAOYSA-N 0 0 238.291 2.176 20 5 BEBDRN CCC1(CNc2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001120821555 989899531 /nfs/dbraw/zinc/89/95/31/989899531.db2.gz MNWXUUJUYVLSML-UHFFFAOYSA-N 0 0 236.275 2.174 20 5 BEBDRN Cc1nc(N[C@H](C)C2(C)CC2)ncc1[N+](=O)[O-] ZINC001120882516 989947811 /nfs/dbraw/zinc/94/78/11/989947811.db2.gz CWRQSOZBINBUJW-MRVPVSSYSA-N 0 0 236.275 2.294 20 5 BEBDRN Cc1cc(NC(=O)[C@@H]2C[C@H]2F)ccc1[N+](=O)[O-] ZINC001121088881 990010563 /nfs/dbraw/zinc/01/05/63/990010563.db2.gz TVNNWVZRFJIDOS-RKDXNWHRSA-N 0 0 238.218 2.200 20 5 BEBDRN CCCC1(C(=O)O[C@H](CC)C[N+](=O)[O-])CC1 ZINC001526654542 990166973 /nfs/dbraw/zinc/16/69/73/990166973.db2.gz HUTXIFOPVHCCSE-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN C[C@H](COC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)[N+](=O)[O-] ZINC001122950435 990468216 /nfs/dbraw/zinc/46/82/16/990468216.db2.gz JRDXCLJQFKKCEV-CHWFTXMASA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(C)cc1 ZINC001123254505 990534507 /nfs/dbraw/zinc/53/45/07/990534507.db2.gz BNYYOVLLQLYXID-NSHDSACASA-N 0 0 237.255 2.207 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)CC(C)C ZINC001123355550 990547852 /nfs/dbraw/zinc/54/78/52/990547852.db2.gz RYJNSUPXBCAVEJ-NXEZZACHSA-N 0 0 231.292 2.267 20 5 BEBDRN C/C=C/C=C/C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001556894409 990861576 /nfs/dbraw/zinc/86/15/76/990861576.db2.gz FYQAFPBRYKLSBE-MQQKCMAXSA-N 0 0 247.254 2.248 20 5 BEBDRN CNc1c2cccc(Cl)c2ncc1[N+](=O)[O-] ZINC001559053969 991028437 /nfs/dbraw/zinc/02/84/37/991028437.db2.gz RZLXQZVBGCHWOL-UHFFFAOYSA-N 0 0 237.646 2.260 20 5 BEBDRN CSCCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319545176 991890977 /nfs/dbraw/zinc/89/09/77/991890977.db2.gz SLSOIADGCADKMC-UHFFFAOYSA-N 0 0 238.312 2.273 20 5 BEBDRN Cc1nc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC001320601411 992271993 /nfs/dbraw/zinc/27/19/93/992271993.db2.gz AUJMAYPFCLGHDR-SSDOTTSWSA-N 0 0 248.242 2.459 20 5 BEBDRN O=[N+]([O-])CC[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC001262252540 992819018 /nfs/dbraw/zinc/81/90/18/992819018.db2.gz UVUITLVCGJEMPC-CKXPSTMWSA-N 0 0 246.310 2.441 20 5 BEBDRN CCCCC1(C(=O)OC[C@@H](C)[N+](=O)[O-])CC1 ZINC001263502323 993344805 /nfs/dbraw/zinc/34/48/05/993344805.db2.gz QBXMBBHHTHUHFT-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN CC[C@@H](C)[C@@H](C)C(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001263623494 993429375 /nfs/dbraw/zinc/42/93/75/993429375.db2.gz RWXZEFDOXRNNNA-OPRDCNLKSA-N 0 0 231.292 2.267 20 5 BEBDRN O=C(NC1CCC=CCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC001303757344 995169446 /nfs/dbraw/zinc/16/94/46/995169446.db2.gz YSNIEESHODJJKE-UHFFFAOYSA-N 0 0 249.270 2.152 20 5 BEBDRN C[C@@H](O)CCCOc1ccsc1[N+](=O)[O-] ZINC001613792406 1170486793 /nfs/dbraw/zinc/48/67/93/1170486793.db2.gz KYLWBQORDUEVFC-SSDOTTSWSA-N 0 0 231.273 2.196 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1Oc1cccc(F)c1 ZINC001649224884 1171302346 /nfs/dbraw/zinc/30/23/46/1171302346.db2.gz SAOVVBKKHUUMQZ-UHFFFAOYSA-N 0 0 237.190 2.260 20 5 BEBDRN O=C(NCCC1CC=CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC001634168039 1171631794 /nfs/dbraw/zinc/63/17/94/1171631794.db2.gz OGWVPKMZFKQVAR-UHFFFAOYSA-N 0 0 249.270 2.009 20 5 BEBDRN CC[C@@H](CNc1ccc([N+](=O)[O-])s1)OC ZINC000309056950 349438800 /nfs/dbraw/zinc/43/88/00/349438800.db2.gz UWBQYNCFGBFUTP-ZETCQYMHSA-N 0 0 230.289 2.493 20 5 BEBDRN O=[N+]([O-])c1cn(CCCc2ccsc2)cn1 ZINC000360954592 398152051 /nfs/dbraw/zinc/15/20/51/398152051.db2.gz RYGWTJSJGSMPQU-UHFFFAOYSA-N 0 0 237.284 2.486 20 5 BEBDRN Cc1cc(COc2ccc([N+](=O)[O-])cc2)no1 ZINC000060969727 178048676 /nfs/dbraw/zinc/04/86/76/178048676.db2.gz LXZCZJLKGSLUGB-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN Cc1cc(N2CC(C)C2)c(F)cc1[N+](=O)[O-] ZINC000360051367 178112421 /nfs/dbraw/zinc/11/24/21/178112421.db2.gz NMTNYJNPDXEUIJ-UHFFFAOYSA-N 0 0 224.235 2.498 20 5 BEBDRN Cc1cc(N2C[C@H](C)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000301454037 178120370 /nfs/dbraw/zinc/12/03/70/178120370.db2.gz VLARFEFEZGGFGY-UWVGGRQHSA-N 0 0 235.287 2.390 20 5 BEBDRN Cc1cc(N2C[C@H](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301454034 178121367 /nfs/dbraw/zinc/12/13/67/178121367.db2.gz VLARFEFEZGGFGY-AOOOYVTPSA-N 0 0 235.287 2.390 20 5 BEBDRN Cc1cc(NC(=O)N[C@@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000153785036 178142024 /nfs/dbraw/zinc/14/20/24/178142024.db2.gz XWEMHXBMNSJPQY-OIBJUYFYSA-N 0 0 249.270 2.433 20 5 BEBDRN Cc1cc(NC[C@@H]2C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000128758179 178167437 /nfs/dbraw/zinc/16/74/37/178167437.db2.gz NTLKDSATCGZMAA-CBAPKCEASA-N 0 0 221.260 2.366 20 5 BEBDRN Cc1cc(N[C@H](C)CF)ncc1[N+](=O)[O-] ZINC000288214243 178185886 /nfs/dbraw/zinc/18/58/86/178185886.db2.gz LVBSLZZOPXWOPA-SSDOTTSWSA-N 0 0 213.212 2.068 20 5 BEBDRN Cc1cc(Nc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000035781642 178193222 /nfs/dbraw/zinc/19/32/22/178193222.db2.gz LLORKJOFKNJWBH-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Cc1ccc(CNc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000037259810 361792176 /nfs/dbraw/zinc/79/21/76/361792176.db2.gz YXDSUBUZDBZJTB-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)[C@H]1C ZINC000293953698 178271044 /nfs/dbraw/zinc/27/10/44/178271044.db2.gz FUWDKVDWVVHCCP-VHSXEESVSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](C)[C@@H]1C ZINC000293953696 178271562 /nfs/dbraw/zinc/27/15/62/178271562.db2.gz FUWDKVDWVVHCCP-UWVGGRQHSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N(C)CC[C@H](C)O ZINC000080651009 178271564 /nfs/dbraw/zinc/27/15/64/178271564.db2.gz AUCQMUZGBMZVKW-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCc1ccn(C)n1 ZINC000271311382 178272541 /nfs/dbraw/zinc/27/25/41/178272541.db2.gz LTIACQBMKZMHRB-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCOC1 ZINC000070966576 178272555 /nfs/dbraw/zinc/27/25/55/178272555.db2.gz PNIOBBFRFKAQNR-VIFPVBQESA-N 0 0 222.244 2.104 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCO[C@@H]1C ZINC000147568139 178272826 /nfs/dbraw/zinc/27/28/26/178272826.db2.gz RWYAFJQIVQBNIC-BXKDBHETSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCC(C)(C)O ZINC000083466511 178272978 /nfs/dbraw/zinc/27/29/78/178272978.db2.gz WDCQFEDYHCNDKM-UHFFFAOYSA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1S[C@H](C)[C@@H](C)O ZINC000092658820 178275354 /nfs/dbraw/zinc/27/53/54/178275354.db2.gz LWEFGUKIMOSFSG-HTQZYQBOSA-N 0 0 242.300 2.160 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[C@@H]1C ZINC000335289966 343999949 /nfs/dbraw/zinc/99/99/49/343999949.db2.gz OHRNNGYPUBLABK-WCBMZHEXSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Oc1cccnn1 ZINC000552959328 398277725 /nfs/dbraw/zinc/27/77/25/398277725.db2.gz ZBUGHFCYQKYOIE-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN COCCCCNc1ccc([N+](=O)[O-])s1 ZINC000064029578 342773239 /nfs/dbraw/zinc/77/32/39/342773239.db2.gz GNEUCXINXMWWEY-UHFFFAOYSA-N 0 0 230.289 2.495 20 5 BEBDRN O=[N+]([O-])c1cnc(Sc2cccc(O)c2)nc1 ZINC000131044567 398311897 /nfs/dbraw/zinc/31/18/97/398311897.db2.gz UJMWDOQGFGAULY-UHFFFAOYSA-N 0 0 249.251 2.242 20 5 BEBDRN C[C@H](N(C)c1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000609586226 342885578 /nfs/dbraw/zinc/88/55/78/342885578.db2.gz UITFPKWIQIUJOX-QMMMGPOBSA-N 0 0 240.307 2.199 20 5 BEBDRN O=[N+]([O-])c1ccccc1COCc1ncc[nH]1 ZINC000123860681 398312723 /nfs/dbraw/zinc/31/27/23/398312723.db2.gz YQMDDULIOKUJMO-UHFFFAOYSA-N 0 0 233.227 2.035 20 5 BEBDRN C[C@H]1C[C@H](C)CN(c2ccncc2[N+](=O)[O-])C1 ZINC000604560338 398321955 /nfs/dbraw/zinc/32/19/55/398321955.db2.gz XLQALYDKFXCGCY-UWVGGRQHSA-N 0 0 235.287 2.472 20 5 BEBDRN O=[N+]([O-])c1ccsc1Nc1cn[nH]c1 ZINC000611289971 398322416 /nfs/dbraw/zinc/32/24/16/398322416.db2.gz KNTXEWZIKBCPEQ-UHFFFAOYSA-N 0 0 210.218 2.123 20 5 BEBDRN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)CO1 ZINC000401974816 259329166 /nfs/dbraw/zinc/32/91/66/259329166.db2.gz RYNXXUJZMWZDGU-SFYZADRCSA-N 0 0 240.234 2.323 20 5 BEBDRN CCCC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000133814144 398327828 /nfs/dbraw/zinc/32/78/28/398327828.db2.gz CGCIUBTXWDFPID-UHFFFAOYSA-N 0 0 223.232 2.037 20 5 BEBDRN Cc1cnccc1CNc1ccncc1[N+](=O)[O-] ZINC000228700074 398326400 /nfs/dbraw/zinc/32/64/00/398326400.db2.gz HPSQDVFHZSRVDJ-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000248264152 398339370 /nfs/dbraw/zinc/33/93/70/398339370.db2.gz XECHRJYYKHMEBU-SSDOTTSWSA-N 0 0 226.232 2.058 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]2C)n1 ZINC000128107278 398333882 /nfs/dbraw/zinc/33/38/82/398333882.db2.gz CGUJLCZYQFUHBY-VIFPVBQESA-N 0 0 221.260 2.287 20 5 BEBDRN Cc1ccnc(NCc2ccccc2[N+](=O)[O-])n1 ZINC000061859424 398344492 /nfs/dbraw/zinc/34/44/92/398344492.db2.gz LRAKUECHXBKDLP-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1ccnc(COc2cccnc2[N+](=O)[O-])c1 ZINC000616201343 346902685 /nfs/dbraw/zinc/90/26/85/346902685.db2.gz SXSBDBZKXGVMLP-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN Cc1cnc(N(C)CC(C)C)c([N+](=O)[O-])c1 ZINC000301460170 187206520 /nfs/dbraw/zinc/20/65/20/187206520.db2.gz UGKMSALRHBVMTE-UHFFFAOYSA-N 0 0 223.276 2.390 20 5 BEBDRN Cc1nccc(CNc2cccc([N+](=O)[O-])c2)n1 ZINC000037999368 187229952 /nfs/dbraw/zinc/22/99/52/187229952.db2.gz ZOKUTWUFTHFZPN-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CCO[C@@H]1C[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000309905393 343091314 /nfs/dbraw/zinc/09/13/14/343091314.db2.gz JYRDOZUYDJFAJF-GXSJLCMTSA-N 0 0 222.244 2.184 20 5 BEBDRN Cc1cc(OCC[C@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000123654539 187231643 /nfs/dbraw/zinc/23/16/43/187231643.db2.gz KNHCGNVPGKIHCX-QMMMGPOBSA-N 0 0 243.234 2.192 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1CC12CCCC2 ZINC000340860755 187232102 /nfs/dbraw/zinc/23/21/02/187232102.db2.gz CGLITPXPCGBEAU-LLVKDONJSA-N 0 0 233.271 2.156 20 5 BEBDRN C[C@](O)(CNc1ccsc1[N+](=O)[O-])C1CC1 ZINC000309957171 343109526 /nfs/dbraw/zinc/10/95/26/343109526.db2.gz IZDZAKFUOFBTJI-JTQLQIEISA-N 0 0 242.300 2.229 20 5 BEBDRN C[C@@H](CNc1ccsc1[N+](=O)[O-])C[C@H](C)O ZINC000309920056 343094323 /nfs/dbraw/zinc/09/43/23/343094323.db2.gz RMTSIZVXYXXQMC-SFYZADRCSA-N 0 0 244.316 2.475 20 5 BEBDRN CC(C)(C)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000271569492 187236769 /nfs/dbraw/zinc/23/67/69/187236769.db2.gz BLEVRZTZKNSDET-LLVKDONJSA-N 0 0 238.287 2.414 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCC1CCOCC1 ZINC000310000530 343137389 /nfs/dbraw/zinc/13/73/89/343137389.db2.gz DRNOACYXXMCBHQ-UHFFFAOYSA-N 0 0 242.300 2.495 20 5 BEBDRN CCC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000267215518 168436763 /nfs/dbraw/zinc/43/67/63/168436763.db2.gz TWZNEBLRJLRARC-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN CCN(CC)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000113700188 136307880 /nfs/dbraw/zinc/30/78/80/136307880.db2.gz KGSKRAAGQWBQAS-UHFFFAOYSA-N 0 0 240.234 2.216 20 5 BEBDRN CC(C)(O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000037694801 187260084 /nfs/dbraw/zinc/26/00/84/187260084.db2.gz XWFFEFZYXGDVMY-UHFFFAOYSA-N 0 0 245.662 2.398 20 5 BEBDRN CCC1(C(=O)Nc2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000268505695 168441180 /nfs/dbraw/zinc/44/11/80/168441180.db2.gz BZMCPUHGZUNZCY-UHFFFAOYSA-N 0 0 249.270 2.427 20 5 BEBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000335694697 136326493 /nfs/dbraw/zinc/32/64/93/136326493.db2.gz XSOZUAOJUORZCG-NSHDSACASA-N 0 0 248.282 2.465 20 5 BEBDRN CC/C=C\CCn1c(C)ccc([N+](=O)[O-])c1=O ZINC000349244957 136332765 /nfs/dbraw/zinc/33/27/65/136332765.db2.gz SNTNBVCTYABCPN-PLNGDYQASA-N 0 0 236.271 2.421 20 5 BEBDRN CN(Cc1ccoc1)c1ncccc1[N+](=O)[O-] ZINC000048836948 136372721 /nfs/dbraw/zinc/37/27/21/136372721.db2.gz WDGFZONIMQEWMN-UHFFFAOYSA-N 0 0 233.227 2.219 20 5 BEBDRN CC[C@@H](C)[C@@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310444419 343497768 /nfs/dbraw/zinc/49/77/68/343497768.db2.gz UAUQEVQRVVTIKH-HTQZYQBOSA-N 0 0 238.291 2.419 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NC[C@H]1CC=CCC1 ZINC000049281752 343595477 /nfs/dbraw/zinc/59/54/77/343595477.db2.gz VCOYNYGRPRFYJN-VIFPVBQESA-N 0 0 236.275 2.097 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2=CCCCC2)nc1 ZINC000379751176 343616697 /nfs/dbraw/zinc/61/66/97/343616697.db2.gz MGCGCQDZAWQOGG-UHFFFAOYSA-N 0 0 233.271 2.324 20 5 BEBDRN CC1(C)CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000610116680 343620470 /nfs/dbraw/zinc/62/04/70/343620470.db2.gz PJMGSYMDAQJYHK-UHFFFAOYSA-N 0 0 248.282 2.148 20 5 BEBDRN C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@H]1C ZINC000408464537 133500268 /nfs/dbraw/zinc/50/02/68/133500268.db2.gz FEPHESWSBOICIW-YUMQZZPRSA-N 0 0 239.250 2.364 20 5 BEBDRN C[C@H](O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000083676232 343654227 /nfs/dbraw/zinc/65/42/27/343654227.db2.gz OMJWGANUNKEQJG-LURJTMIESA-N 0 0 231.635 2.008 20 5 BEBDRN C[C@@H](O)C[C@H](C)Nc1sccc1[N+](=O)[O-] ZINC000309064760 349829851 /nfs/dbraw/zinc/82/98/51/349829851.db2.gz YSZTUCHMHPMAPL-NKWVEPMBSA-N 0 0 230.289 2.228 20 5 BEBDRN C[C@@H]1C[C@@H](C)N(c2ccc([N+](=O)[O-])nc2)C1 ZINC000610133688 343661347 /nfs/dbraw/zinc/66/13/47/343661347.db2.gz LRGDKRLCFDENKZ-RKDXNWHRSA-N 0 0 221.260 2.225 20 5 BEBDRN Cc1cccc(NCc2cncn2C)c1[N+](=O)[O-] ZINC000291116813 349863193 /nfs/dbraw/zinc/86/31/93/349863193.db2.gz LXUCEJZPEIHYEB-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN CC(C)(C)c1ccc(NC(N)=O)cc1[N+](=O)[O-] ZINC000334205578 343839249 /nfs/dbraw/zinc/83/92/49/343839249.db2.gz XZSLFQICTGFHKT-UHFFFAOYSA-N 0 0 237.259 2.383 20 5 BEBDRN CC(C)[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000334256791 343845438 /nfs/dbraw/zinc/84/54/38/343845438.db2.gz AUACZKCLGNKOQK-LBPRGKRZSA-N 0 0 248.282 2.465 20 5 BEBDRN Cc1nc([C@@H](C)Oc2ccc([N+](=O)[O-])cc2)no1 ZINC000418786033 192067246 /nfs/dbraw/zinc/06/72/46/192067246.db2.gz HVVWANIJNNUSGO-SSDOTTSWSA-N 0 0 249.226 2.426 20 5 BEBDRN CCC1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000334510227 343888540 /nfs/dbraw/zinc/88/85/40/343888540.db2.gz GIRURPRFYQGREY-UHFFFAOYSA-N 0 0 249.270 2.469 20 5 BEBDRN Cc1ccc(C(=O)N[C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000335115026 343928564 /nfs/dbraw/zinc/92/85/64/343928564.db2.gz ADRCZHOZSCHMCF-NSHDSACASA-N 0 0 246.266 2.186 20 5 BEBDRN C[C@H]1CCN(c2cccnc2[N+](=O)[O-])[C@H]1C ZINC000610588346 343973713 /nfs/dbraw/zinc/97/37/13/343973713.db2.gz BLRXFDFAJFVXNN-IUCAKERBSA-N 0 0 221.260 2.225 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000610410965 343957456 /nfs/dbraw/zinc/95/74/56/343957456.db2.gz NWHNQZCSYJGAOQ-OCAPTIKFSA-N 0 0 240.284 2.024 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(NCC2CC2)c1 ZINC000086778166 187286171 /nfs/dbraw/zinc/28/61/71/187286171.db2.gz XZYULZKXHSTEOX-UHFFFAOYSA-N 0 0 222.244 2.425 20 5 BEBDRN CC1CC(NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000080050539 344122964 /nfs/dbraw/zinc/12/29/64/344122964.db2.gz KHXQOQWGZVVFLP-UHFFFAOYSA-N 0 0 234.255 2.123 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC(C(F)F)C2)cc1 ZINC000610892638 344161803 /nfs/dbraw/zinc/16/18/03/344161803.db2.gz GYHPPRGIGFVVOZ-UHFFFAOYSA-N 0 0 242.225 2.292 20 5 BEBDRN C/C=C/CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000600492367 344239356 /nfs/dbraw/zinc/23/93/56/344239356.db2.gz MORLTBXLMHBTPH-ONEGZZNKSA-N 0 0 234.255 2.209 20 5 BEBDRN C[C@@H]1C[C@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000408220790 344255204 /nfs/dbraw/zinc/25/52/04/344255204.db2.gz ZOSIUNJTNSAHAU-DTWKUNHWSA-N 0 0 221.260 2.225 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1CC[C@@H](C2CC2)C1 ZINC000611204664 344273506 /nfs/dbraw/zinc/27/35/06/344273506.db2.gz NWWDBZNABYHOTM-SNVBAGLBSA-N 0 0 233.271 2.226 20 5 BEBDRN CCN(CC(C)(C)O)c1ccc([N+](=O)[O-])s1 ZINC000611203893 344274081 /nfs/dbraw/zinc/27/40/81/344274081.db2.gz PHSJAXWADYBKFN-UHFFFAOYSA-N 0 0 244.316 2.254 20 5 BEBDRN Cc1cc(SCCCO)ccc1[N+](=O)[O-] ZINC000085162639 344503338 /nfs/dbraw/zinc/50/33/38/344503338.db2.gz LBFFHSDNMNZTDV-UHFFFAOYSA-N 0 0 227.285 2.378 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]2C)c1 ZINC000603267874 344472875 /nfs/dbraw/zinc/47/28/75/344472875.db2.gz WWIZABITISSOHA-SECBINFHSA-N 0 0 234.255 2.138 20 5 BEBDRN CC(C)CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033414438 344498795 /nfs/dbraw/zinc/49/87/95/344498795.db2.gz SLIFMMDBQDQWRS-YVMONPNESA-N 0 0 248.282 2.380 20 5 BEBDRN Cc1ccnc(NCC2CSC2)c1[N+](=O)[O-] ZINC000603414845 344513117 /nfs/dbraw/zinc/51/31/17/344513117.db2.gz WLYVKXLVMKLDLS-UHFFFAOYSA-N 0 0 239.300 2.073 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCF)c(F)c1 ZINC000220615604 344559679 /nfs/dbraw/zinc/55/96/79/344559679.db2.gz YITCZJMWQQMIPO-UHFFFAOYSA-N 0 0 203.144 2.082 20 5 BEBDRN Cc1ccc(N(C)CC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000080650998 178698513 /nfs/dbraw/zinc/69/85/13/178698513.db2.gz YYLXTTFZGWFTEA-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN CC1(C)[C@H](Nc2ccc([N+](=O)[O-])s2)C[C@@H]1O ZINC000309443496 347063636 /nfs/dbraw/zinc/06/36/36/347063636.db2.gz KRKYWWPSHOOQJQ-RQJHMYQMSA-N 0 0 242.300 2.228 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC=CCC2)s1 ZINC000611509931 344747092 /nfs/dbraw/zinc/74/70/92/344747092.db2.gz MNFSRCYOQKAIDR-UHFFFAOYSA-N 0 0 210.258 2.423 20 5 BEBDRN Cc1cc(C(=O)N2CC=CCC2)ccc1[N+](=O)[O-] ZINC000611513473 344748874 /nfs/dbraw/zinc/74/88/74/344748874.db2.gz FYWBHRIRLGJAPX-UHFFFAOYSA-N 0 0 246.266 2.305 20 5 BEBDRN O=[N+]([O-])c1ncccc1S[C@@H]1CCCOC1 ZINC000611541704 344753563 /nfs/dbraw/zinc/75/35/63/344753563.db2.gz BYIJKWRELCPCRR-MRVPVSSYSA-N 0 0 240.284 2.261 20 5 BEBDRN Cc1n[nH]cc1Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000074744444 344754310 /nfs/dbraw/zinc/75/43/10/344754310.db2.gz SPFBDZZPUIQNAH-UHFFFAOYSA-N 0 0 233.231 2.073 20 5 BEBDRN O=[N+]([O-])c1ncccc1N[C@@H]1C[C@H]1C1CC1 ZINC000309491506 347078165 /nfs/dbraw/zinc/07/81/65/347078165.db2.gz ITYUXTSFHDLWNB-WCBMZHEXSA-N 0 0 219.244 2.200 20 5 BEBDRN C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408472474 344832392 /nfs/dbraw/zinc/83/23/92/344832392.db2.gz VKJCGPAPIGEXMB-MRVPVSSYSA-N 0 0 239.250 2.365 20 5 BEBDRN CC(C)CCSc1c([N+](=O)[O-])ncn1C ZINC000078559931 344883022 /nfs/dbraw/zinc/88/30/22/344883022.db2.gz VFEWEZJNWCWVIV-UHFFFAOYSA-N 0 0 229.305 2.467 20 5 BEBDRN CC[C@H]1C[C@H](C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000612785720 344923695 /nfs/dbraw/zinc/92/36/95/344923695.db2.gz IKEYXPYFCUADCW-IUCAKERBSA-N 0 0 236.275 2.010 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC(F)F)n1 ZINC000613328365 344973508 /nfs/dbraw/zinc/97/35/08/344973508.db2.gz WPSWDOFPJJRWOI-UHFFFAOYSA-N 0 0 232.186 2.251 20 5 BEBDRN Cc1ccc(OCc2nccn2C)cc1[N+](=O)[O-] ZINC000131735260 187298543 /nfs/dbraw/zinc/29/85/43/187298543.db2.gz NUWACTIIIAILOX-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CC1 ZINC000156065883 345122898 /nfs/dbraw/zinc/12/28/98/345122898.db2.gz UYXSBQFASPDXKA-UHFFFAOYSA-N 0 0 249.270 2.435 20 5 BEBDRN O=[N+]([O-])c1ccc(SC[C@@H]2CCCO2)nc1 ZINC000159630385 187301437 /nfs/dbraw/zinc/30/14/37/187301437.db2.gz VOLKTWVUWSZFKI-VIFPVBQESA-N 0 0 240.284 2.261 20 5 BEBDRN CC(C)Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000140454373 345696217 /nfs/dbraw/zinc/69/62/17/345696217.db2.gz OZNOCVKEFNBIKQ-UHFFFAOYSA-N 0 0 237.215 2.436 20 5 BEBDRN C[C@@H](O)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000147061288 345710527 /nfs/dbraw/zinc/71/05/27/345710527.db2.gz PWVNQVRUZICKBO-SECBINFHSA-N 0 0 225.244 2.135 20 5 BEBDRN CCCn1ccc2c(cccc2[N+](=O)[O-])c1=O ZINC000146810430 345714750 /nfs/dbraw/zinc/71/47/50/345714750.db2.gz IDWRKQPIDQOQKB-UHFFFAOYSA-N 0 0 232.239 2.320 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CCCCCF ZINC000283850382 178927161 /nfs/dbraw/zinc/92/71/61/178927161.db2.gz BXBOBICYAFSBTK-UHFFFAOYSA-N 0 0 242.250 2.205 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)C1 ZINC000299713694 178931416 /nfs/dbraw/zinc/93/14/16/178931416.db2.gz JLNLTTVEROPRSO-SECBINFHSA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CCC(C)(F)F ZINC000418965857 192092979 /nfs/dbraw/zinc/09/29/79/192092979.db2.gz PLFZMRKTFQISMU-UHFFFAOYSA-N 0 0 246.213 2.110 20 5 BEBDRN Nc1c(F)c(NC2CC=CC2)ccc1[N+](=O)[O-] ZINC000613922097 345948371 /nfs/dbraw/zinc/94/83/71/345948371.db2.gz ZZEYQDXRBLQBRP-UHFFFAOYSA-N 0 0 237.234 2.447 20 5 BEBDRN CCCCCCC(=O)Cn1cnc([N+](=O)[O-])c1 ZINC000190238654 187313623 /nfs/dbraw/zinc/31/36/23/187313623.db2.gz AGJZDXSFWYULIW-UHFFFAOYSA-N 0 0 239.275 2.331 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@H]1C[C@@](C)(O)C1 ZINC000419000467 192096586 /nfs/dbraw/zinc/09/65/86/192096586.db2.gz RSPQPJYRQDSETK-WVSHTKLVSA-N 0 0 236.271 2.229 20 5 BEBDRN Cc1cccc(N[C@H]2C[C@@](C)(O)C2)c1[N+](=O)[O-] ZINC000418997914 192096884 /nfs/dbraw/zinc/09/68/84/192096884.db2.gz PFXLZVQMWYNPQU-WVSHTKLVSA-N 0 0 236.271 2.229 20 5 BEBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]2C[C@@H]21 ZINC000586897686 346166696 /nfs/dbraw/zinc/16/66/96/346166696.db2.gz FKBIDEGBSZXVMF-SKDRFNHKSA-N 0 0 246.266 2.219 20 5 BEBDRN Cc1cc(C(=O)NC[C@@H]2C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000150322418 346170418 /nfs/dbraw/zinc/17/04/18/346170418.db2.gz SEQZRJJPMMTJFQ-ONGXEEELSA-N 0 0 248.282 2.289 20 5 BEBDRN C[C@@H]1CC[C@H]1Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401115471 346212251 /nfs/dbraw/zinc/21/22/51/346212251.db2.gz XYXAWIPQGCOFJL-HTRCEHHLSA-N 0 0 225.223 2.339 20 5 BEBDRN CC[C@]1(O)CCN(c2sccc2[N+](=O)[O-])C1 ZINC000614531930 346189621 /nfs/dbraw/zinc/18/96/21/346189621.db2.gz BTDMVLRXINIYGI-JTQLQIEISA-N 0 0 242.300 2.008 20 5 BEBDRN CCCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005501731 346244317 /nfs/dbraw/zinc/24/43/17/346244317.db2.gz KZVSMBNFOJIGDI-UHFFFAOYSA-N 0 0 226.207 2.473 20 5 BEBDRN Cc1cccc(C(=O)N2C[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000294011062 179013009 /nfs/dbraw/zinc/01/30/09/179013009.db2.gz IQTHSXSSXFLQQW-ZJUUUORDSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1cccc(C(=O)NC[C@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000032388256 179018520 /nfs/dbraw/zinc/01/85/20/179018520.db2.gz SUTRHMJZJFLGGA-NXEZZACHSA-N 0 0 248.282 2.289 20 5 BEBDRN CC(C)(F)CNCc1csc([N+](=O)[O-])c1 ZINC000601137436 346280320 /nfs/dbraw/zinc/28/03/20/346280320.db2.gz XVLGPHSTFUQVJV-UHFFFAOYSA-N 0 0 232.280 2.494 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@H]2O)s1 ZINC000309520439 347092627 /nfs/dbraw/zinc/09/26/27/347092627.db2.gz BFWSXRUJASGGFR-HTQZYQBOSA-N 0 0 242.300 2.372 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCC1CSC1 ZINC000603414433 349963138 /nfs/dbraw/zinc/96/31/38/349963138.db2.gz SCPDPXDWLCUZPL-UHFFFAOYSA-N 0 0 230.314 2.431 20 5 BEBDRN C[C@@H]1CCN1c1c(F)cccc1[N+](=O)[O-] ZINC000587465742 346506817 /nfs/dbraw/zinc/50/68/17/346506817.db2.gz HKSLNHFAXWSEPC-SSDOTTSWSA-N 0 0 210.208 2.333 20 5 BEBDRN CCO[C@H]1C[C@H]1Nc1cc(C)ccc1[N+](=O)[O-] ZINC000580615700 365820445 /nfs/dbraw/zinc/82/04/45/365820445.db2.gz MAUXOEAMEGKZCG-PWSUYJOCSA-N 0 0 236.271 2.493 20 5 BEBDRN CCO[C@@H]1C[C@@H]1Nc1cc(C)ccc1[N+](=O)[O-] ZINC000580615698 365821166 /nfs/dbraw/zinc/82/11/66/365821166.db2.gz MAUXOEAMEGKZCG-CMPLNLGQSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cccc(NC[C@H](O)C2CC2)c1[N+](=O)[O-] ZINC000218849723 179148701 /nfs/dbraw/zinc/14/87/01/179148701.db2.gz FQRCOUNEUXEHBS-NSHDSACASA-N 0 0 236.271 2.086 20 5 BEBDRN Cc1cccc(NC[C@@H](O)C(C)C)c1[N+](=O)[O-] ZINC000232734354 179146223 /nfs/dbraw/zinc/14/62/23/179146223.db2.gz YQCZCQSFWZDWMC-LLVKDONJSA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1cccc(NC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000218842309 179148038 /nfs/dbraw/zinc/14/80/38/179148038.db2.gz PLMGKHLPXLXEKQ-SNVBAGLBSA-N 0 0 236.271 2.352 20 5 BEBDRN Cc1cccc(N[C@H]2CCO[C@H]2C)c1[N+](=O)[O-] ZINC000218872664 179157347 /nfs/dbraw/zinc/15/73/47/179157347.db2.gz WMJOUMWPSCBRKY-UWVGGRQHSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cccc(NCc2cnn(C)c2)c1[N+](=O)[O-] ZINC000218841460 179151473 /nfs/dbraw/zinc/15/14/73/179151473.db2.gz SDIDYYRTWMQNGX-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cccc(N[C@H]2C=C[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000338680710 179157895 /nfs/dbraw/zinc/15/78/95/179157895.db2.gz NYYMWQLMWYCDDU-MNOVXSKESA-N 0 0 248.282 2.252 20 5 BEBDRN Cc1cccc(OC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000124000609 179171146 /nfs/dbraw/zinc/17/11/46/179171146.db2.gz UDRWQQJHSRZXCY-JTQLQIEISA-N 0 0 237.255 2.461 20 5 BEBDRN CCCOc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000577192959 365871834 /nfs/dbraw/zinc/87/18/34/365871834.db2.gz VNFHHMLBYMPFBH-UHFFFAOYSA-N 0 0 210.233 2.395 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N(C)Cc1ncc[nH]1 ZINC000357554163 179205973 /nfs/dbraw/zinc/20/59/73/179205973.db2.gz VDRJPUOLHMNSAQ-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(C)CC1 ZINC000332123921 179206316 /nfs/dbraw/zinc/20/63/16/179206316.db2.gz IEQXUBUQKGOSGW-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@@H]1C ZINC000332101450 179206567 /nfs/dbraw/zinc/20/65/67/179206567.db2.gz BKTFXRSINZUQBZ-VHSXEESVSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCCC[C@H](C)O ZINC000227995425 179206838 /nfs/dbraw/zinc/20/68/38/179206838.db2.gz LUKRGJIVLPRXHN-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CCCO1 ZINC000112208800 179206935 /nfs/dbraw/zinc/20/69/35/179206935.db2.gz LLNWTJKFBCUBET-JTQLQIEISA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C)C1 ZINC000278144238 179206991 /nfs/dbraw/zinc/20/69/91/179206991.db2.gz NSOABBCHUSJISX-SECBINFHSA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCC1 ZINC000070248961 179207052 /nfs/dbraw/zinc/20/70/52/179207052.db2.gz VBOIINMQFHWTDX-UHFFFAOYSA-N 0 0 234.255 2.139 20 5 BEBDRN CC(C)(CO)CCNc1sccc1[N+](=O)[O-] ZINC000590709412 347498925 /nfs/dbraw/zinc/49/89/25/347498925.db2.gz GRDMIFQBNGHSSC-UHFFFAOYSA-N 0 0 244.316 2.477 20 5 BEBDRN C[C@@H]1CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000590687285 347491573 /nfs/dbraw/zinc/49/15/73/347491573.db2.gz RKQRJIYRRVEJLD-SSDOTTSWSA-N 0 0 232.243 2.070 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H]3CCC[C@@H]32)cn1 ZINC000590698407 347492899 /nfs/dbraw/zinc/49/28/99/347492899.db2.gz MVZIIXTWCQLGQA-KOLCDFICSA-N 0 0 233.271 2.369 20 5 BEBDRN C[C@H](CCO)CCNc1ccc([N+](=O)[O-])s1 ZINC000590706063 347497931 /nfs/dbraw/zinc/49/79/31/347497931.db2.gz CWPFYSJGXAAFRP-QMMMGPOBSA-N 0 0 244.316 2.477 20 5 BEBDRN C[C@H]1C[C@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000590778866 347534847 /nfs/dbraw/zinc/53/48/47/347534847.db2.gz ZSAFUORKUARJII-NTSWFWBYSA-N 0 0 235.199 2.361 20 5 BEBDRN O=[N+]([O-])c1ccsc1NC[C@H](O)C1CCC1 ZINC000590737258 347501671 /nfs/dbraw/zinc/50/16/71/347501671.db2.gz UGIYGRKDBONLRK-VIFPVBQESA-N 0 0 242.300 2.229 20 5 BEBDRN CC1(C)C[C@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000591141983 347620729 /nfs/dbraw/zinc/62/07/29/347620729.db2.gz YCOBCORTPAUFAH-MRVPVSSYSA-N 0 0 225.223 2.339 20 5 BEBDRN CN(c1ncc([N+](=O)[O-])cc1F)C1CCC1 ZINC000591147755 347621532 /nfs/dbraw/zinc/62/15/32/347621532.db2.gz LXGWFAZWEYKXOJ-UHFFFAOYSA-N 0 0 225.223 2.118 20 5 BEBDRN Cc1c[nH]nc1COCc1cccc([N+](=O)[O-])c1 ZINC000593238022 347873680 /nfs/dbraw/zinc/87/36/80/347873680.db2.gz YPSZQCZTQSEVQJ-UHFFFAOYSA-N 0 0 247.254 2.343 20 5 BEBDRN Cc1cc(N[C@H](CO)CCF)ccc1[N+](=O)[O-] ZINC000593508477 347901162 /nfs/dbraw/zinc/90/11/62/347901162.db2.gz GUDAOOXHCCKWDX-JTQLQIEISA-N 0 0 242.250 2.036 20 5 BEBDRN Cc1cccc(N[C@@H](CO)CCF)c1[N+](=O)[O-] ZINC000593508064 347901228 /nfs/dbraw/zinc/90/12/28/347901228.db2.gz CPFIAYWMHSCPIM-SECBINFHSA-N 0 0 242.250 2.036 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1CCCC(F)(F)C1 ZINC000593487408 347905267 /nfs/dbraw/zinc/90/52/67/347905267.db2.gz WYPFANDBWVFBCP-UHFFFAOYSA-N 0 0 243.213 2.225 20 5 BEBDRN CCc1cnn(Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000594494650 348063404 /nfs/dbraw/zinc/06/34/04/348063404.db2.gz PKAXDBUDBHOVIH-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN COCC1(CNc2sccc2[N+](=O)[O-])CC1 ZINC000594592657 348079223 /nfs/dbraw/zinc/07/92/23/348079223.db2.gz QXAUOBFQSWKYIX-UHFFFAOYSA-N 0 0 242.300 2.495 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1N1CC=CCC1 ZINC000594577679 348075697 /nfs/dbraw/zinc/07/56/97/348075697.db2.gz ZMNIOOITXONVLW-UHFFFAOYSA-N 0 0 234.255 2.370 20 5 BEBDRN CCC(CC)Cn1cc([N+](=O)[O-])ccc1=O ZINC000594884039 348119869 /nfs/dbraw/zinc/11/98/69/348119869.db2.gz SNKWUHWLCVXYDW-UHFFFAOYSA-N 0 0 224.260 2.193 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000594881954 348119993 /nfs/dbraw/zinc/11/99/93/348119993.db2.gz LZOVYIAKONWQGW-OUAUKWLOSA-N 0 0 248.282 2.193 20 5 BEBDRN O=[N+]([O-])c1ncccc1OCC1CC=CC1 ZINC000594881824 348120010 /nfs/dbraw/zinc/12/00/10/348120010.db2.gz OEITZNNPDACBLW-UHFFFAOYSA-N 0 0 220.228 2.335 20 5 BEBDRN O=[N+]([O-])c1ccnn1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000594886062 348120969 /nfs/dbraw/zinc/12/09/69/348120969.db2.gz MIXRZJKOHBPXDS-BBBLOLIVSA-N 0 0 221.260 2.228 20 5 BEBDRN Cc1cccn(Cc2ccc([N+](=O)[O-])cc2)c1=O ZINC000069740867 179352157 /nfs/dbraw/zinc/35/21/57/179352157.db2.gz XLJXXNDAZWJMTP-UHFFFAOYSA-N 0 0 244.250 2.113 20 5 BEBDRN Cc1noc(CN2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000595290839 348213913 /nfs/dbraw/zinc/21/39/13/348213913.db2.gz DVFGIPPTHULSBS-MRVPVSSYSA-N 0 0 239.275 2.266 20 5 BEBDRN Cc1noc(CN2C3CCC2CC3)c1[N+](=O)[O-] ZINC000595292358 348214591 /nfs/dbraw/zinc/21/45/91/348214591.db2.gz WXFLZLJXNLTPSL-UHFFFAOYSA-N 0 0 237.259 2.018 20 5 BEBDRN Cc1noc(CN(C)CC(C)(C)C)c1[N+](=O)[O-] ZINC000595309710 348223748 /nfs/dbraw/zinc/22/37/48/348223748.db2.gz ZCHBDFRVPUDHJR-UHFFFAOYSA-N 0 0 241.291 2.369 20 5 BEBDRN Cc1noc(CN(C)CCC2CC2)c1[N+](=O)[O-] ZINC000595388380 348242988 /nfs/dbraw/zinc/24/29/88/348242988.db2.gz VAWYXEFDHXABQA-UHFFFAOYSA-N 0 0 239.275 2.123 20 5 BEBDRN Cc1noc(CN2CCC=C(C)C2)c1[N+](=O)[O-] ZINC000595474433 348251611 /nfs/dbraw/zinc/25/16/11/348251611.db2.gz LRJFSGDDYGNGLR-UHFFFAOYSA-N 0 0 237.259 2.043 20 5 BEBDRN COC(C)(C)CNc1ccsc1[N+](=O)[O-] ZINC000309094269 349984937 /nfs/dbraw/zinc/98/49/37/349984937.db2.gz DJFCOJQXVAIDOH-UHFFFAOYSA-N 0 0 230.289 2.493 20 5 BEBDRN CC[C@@H](O)CCNc1ccccc1[N+](=O)[O-] ZINC000122111112 362915942 /nfs/dbraw/zinc/91/59/42/362915942.db2.gz KHLJKVBODDVMQP-SECBINFHSA-N 0 0 224.260 2.168 20 5 BEBDRN COCCNc1cc(C)sc1[N+](=O)[O-] ZINC000596048936 348429329 /nfs/dbraw/zinc/42/93/29/348429329.db2.gz GGSLUPQGTNRTDS-UHFFFAOYSA-N 0 0 216.262 2.023 20 5 BEBDRN O=[N+]([O-])c1ncccc1OC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000596017154 348431028 /nfs/dbraw/zinc/43/10/28/348431028.db2.gz OHWSMVXFPDSLHX-ILWJIGKKSA-N 0 0 234.255 2.415 20 5 BEBDRN CC(C)(C)CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596085590 348431746 /nfs/dbraw/zinc/43/17/46/348431746.db2.gz KNXCWZOWTWEPTD-UHFFFAOYSA-N 0 0 225.248 2.153 20 5 BEBDRN NC(=O)c1cc(NC2CCCC2)ccc1[N+](=O)[O-] ZINC000596055007 348434113 /nfs/dbraw/zinc/43/41/13/348434113.db2.gz CFVGEEGAJJQLBX-UHFFFAOYSA-N 0 0 249.270 2.048 20 5 BEBDRN CC1(C)CCCC[C@@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000596020983 348423484 /nfs/dbraw/zinc/42/34/84/348423484.db2.gz KQSMFRNSZUYEKW-SECBINFHSA-N 0 0 238.291 2.403 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1N[C@H]1CC12CC2 ZINC000596280104 348487023 /nfs/dbraw/zinc/48/70/23/348487023.db2.gz ASEOHJVDYMXZAL-QMMMGPOBSA-N 0 0 239.662 2.030 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3CCCC[C@@H]32)cn1 ZINC000596295576 348489728 /nfs/dbraw/zinc/48/97/28/348489728.db2.gz YECHIZAJJUEIDA-ONGXEEELSA-N 0 0 233.271 2.369 20 5 BEBDRN Cc1cc(N[C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])s1 ZINC000596136993 348448349 /nfs/dbraw/zinc/44/83/49/348448349.db2.gz ZKNDJQZWBBPGQB-XPUUQOCRSA-N 0 0 244.316 2.394 20 5 BEBDRN Cc1cc(N[C@H](C)[C@H](C)CO)c([N+](=O)[O-])s1 ZINC000596136990 348448587 /nfs/dbraw/zinc/44/85/87/348448587.db2.gz ZKNDJQZWBBPGQB-HTRCEHHLSA-N 0 0 244.316 2.394 20 5 BEBDRN Cc1cc(NC[C@@H](C)CCO)c([N+](=O)[O-])s1 ZINC000596142794 348450295 /nfs/dbraw/zinc/45/02/95/348450295.db2.gz NJYJWVPTTQRWKP-ZETCQYMHSA-N 0 0 244.316 2.395 20 5 BEBDRN Cc1cc(N2CCCCO2)c([N+](=O)[O-])s1 ZINC000596203580 348465328 /nfs/dbraw/zinc/46/53/28/348465328.db2.gz HMASVNBOFHPURU-UHFFFAOYSA-N 0 0 228.273 2.497 20 5 BEBDRN CC1CN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596218612 348469543 /nfs/dbraw/zinc/46/95/43/348469543.db2.gz JJQOYGVWGVAURF-UHFFFAOYSA-N 0 0 227.651 2.099 20 5 BEBDRN C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000596247648 348472131 /nfs/dbraw/zinc/47/21/31/348472131.db2.gz KLYJWYXYQSXQMB-RQJHMYQMSA-N 0 0 241.678 2.488 20 5 BEBDRN CC[C@@H](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596456263 348542574 /nfs/dbraw/zinc/54/25/74/348542574.db2.gz LQNFJKPNKUVJOD-MRVPVSSYSA-N 0 0 239.275 2.089 20 5 BEBDRN Cc1cn(C[C@@H]2C[C@H]3C[C@H]3C2)nc1[N+](=O)[O-] ZINC000596277974 348495033 /nfs/dbraw/zinc/49/50/33/348495033.db2.gz IJOSNZHHWLCGAT-ILWJIGKKSA-N 0 0 221.260 2.146 20 5 BEBDRN CC[C@@H](O)CNc1cc(C)sc1[N+](=O)[O-] ZINC000596279149 348495789 /nfs/dbraw/zinc/49/57/89/348495789.db2.gz WLAJETDHGBZEDY-SSDOTTSWSA-N 0 0 230.289 2.148 20 5 BEBDRN CC[C@H](C)N(CC)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596442161 348549474 /nfs/dbraw/zinc/54/94/74/348549474.db2.gz IUMIJLKBUZWIPS-QMMMGPOBSA-N 0 0 239.275 2.184 20 5 BEBDRN COCCC1CN(c2sccc2[N+](=O)[O-])C1 ZINC000596367067 348511984 /nfs/dbraw/zinc/51/19/84/348511984.db2.gz VQRQTNNDMOVYGU-UHFFFAOYSA-N 0 0 242.300 2.129 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCCOCCF ZINC000596569873 348581414 /nfs/dbraw/zinc/58/14/14/348581414.db2.gz LLMVTLYTRUQOMD-UHFFFAOYSA-N 0 0 242.250 2.301 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCOCCF)s1 ZINC000596569055 348581450 /nfs/dbraw/zinc/58/14/50/348581450.db2.gz DPTSVPIZZKBTNP-UHFFFAOYSA-N 0 0 234.252 2.054 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCOCCF)c(F)c1 ZINC000596570887 348591200 /nfs/dbraw/zinc/59/12/00/348591200.db2.gz VYCBXZARASRORY-UHFFFAOYSA-N 0 0 246.213 2.132 20 5 BEBDRN CCn1nc(C)cc1-c1cnc(C)c([N+](=O)[O-])c1 ZINC000596645025 348603803 /nfs/dbraw/zinc/60/38/03/348603803.db2.gz UTELGNUFCTUWHH-UHFFFAOYSA-N 0 0 246.270 2.490 20 5 BEBDRN C[C@]1(CNc2cccnc2[N+](=O)[O-])CC1(F)F ZINC000596477100 348555608 /nfs/dbraw/zinc/55/56/08/348555608.db2.gz MIACCHHFOBYBJT-SECBINFHSA-N 0 0 243.213 2.447 20 5 BEBDRN C[C@H](O)[C@H]1CCCN1c1ccc([N+](=O)[O-])s1 ZINC000596488245 348559820 /nfs/dbraw/zinc/55/98/20/348559820.db2.gz MTXGQOHGXQKGTG-JGVFFNPUSA-N 0 0 242.300 2.006 20 5 BEBDRN C[C@@H](O)C1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000596524125 348564579 /nfs/dbraw/zinc/56/45/79/348564579.db2.gz PUTWMQMZQVSKOF-SSDOTTSWSA-N 0 0 240.234 2.059 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(N2CC[C@H]3C[C@H]3C2)c1 ZINC000596508966 348571927 /nfs/dbraw/zinc/57/19/27/348571927.db2.gz GJVYCQFLABRWEP-UWVGGRQHSA-N 0 0 248.282 2.450 20 5 BEBDRN Cc1ccnc(N2CC[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000596510012 348572470 /nfs/dbraw/zinc/57/24/70/348572470.db2.gz KUSGIWUJRPFRQE-UWVGGRQHSA-N 0 0 233.271 2.144 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CO[C@@H](C)C2)c1 ZINC000401903178 348652908 /nfs/dbraw/zinc/65/29/08/348652908.db2.gz GHQDNUSFWBEEBQ-VHSXEESVSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cnc(N2C[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000267602255 179623492 /nfs/dbraw/zinc/62/34/92/179623492.db2.gz FPPJTJHTKDZAEB-UWVGGRQHSA-N 0 0 235.287 2.390 20 5 BEBDRN Cc1cnc(NC[C@@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000127299484 179636071 /nfs/dbraw/zinc/63/60/71/179636071.db2.gz HRDZNYBNYCPHAC-IUCAKERBSA-N 0 0 221.260 2.366 20 5 BEBDRN Cc1cnc([C@H](C)n2cc(C)c([N+](=O)[O-])n2)o1 ZINC000337945155 179655435 /nfs/dbraw/zinc/65/54/35/179655435.db2.gz VVTWCFZIORMPKP-QMMMGPOBSA-N 0 0 236.231 2.005 20 5 BEBDRN CC[C@@H](C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000597976003 348858692 /nfs/dbraw/zinc/85/86/92/348858692.db2.gz QQGMLUGJQMFIBA-MRVPVSSYSA-N 0 0 240.259 2.354 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[C@@H]2C1 ZINC000598332445 348926886 /nfs/dbraw/zinc/92/68/86/348926886.db2.gz TWZVKFNJTLJYCG-GHMZBOCLSA-N 0 0 246.266 2.077 20 5 BEBDRN Cc1cnccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000107294621 179711958 /nfs/dbraw/zinc/71/19/58/179711958.db2.gz HLZYALKXGCJHAS-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN CC1(C)CC(NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000598501801 348985262 /nfs/dbraw/zinc/98/52/62/348985262.db2.gz GFTOTGUSRRBWGX-UHFFFAOYSA-N 0 0 238.243 2.106 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC(CC3CC3)C2)s1 ZINC000598644306 349008715 /nfs/dbraw/zinc/00/87/15/349008715.db2.gz IFELQGIJKYOCQP-UHFFFAOYSA-N 0 0 239.300 2.288 20 5 BEBDRN CO[C@H](C)CCNc1ccc([N+](=O)[O-])s1 ZINC000308898714 349056225 /nfs/dbraw/zinc/05/62/25/349056225.db2.gz AUVKFXIREHMZJT-SSDOTTSWSA-N 0 0 230.289 2.493 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NCC1CC=CC1 ZINC000599125810 349102292 /nfs/dbraw/zinc/10/22/92/349102292.db2.gz CHCDVKLISJRSKI-UHFFFAOYSA-N 0 0 233.271 2.098 20 5 BEBDRN O=[N+]([O-])c1sccc1NCc1cocn1 ZINC000308907201 349058730 /nfs/dbraw/zinc/05/87/30/349058730.db2.gz DYIDCJVNWLSDSX-UHFFFAOYSA-N 0 0 225.229 2.256 20 5 BEBDRN C[C@]1(CNc2ccncc2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC000599173103 349111522 /nfs/dbraw/zinc/11/15/22/349111522.db2.gz VURHYDAQVGZNLD-IWIIMEHWSA-N 0 0 247.298 2.260 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCCC23CC3)nc1 ZINC000599207656 349119704 /nfs/dbraw/zinc/11/97/04/349119704.db2.gz YTNIJQGDNJUNBO-JTQLQIEISA-N 0 0 247.298 2.404 20 5 BEBDRN Cc1c([N+](=O)[O-])cccc1N1N=C(C)CCC1=O ZINC000601940086 349392806 /nfs/dbraw/zinc/39/28/06/349392806.db2.gz ODEDRXRJLTXGAI-UHFFFAOYSA-N 0 0 247.254 2.406 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[C@H]1O ZINC000382269405 349431232 /nfs/dbraw/zinc/43/12/32/349431232.db2.gz YUXUBEMWMNCNPU-PSASIEDQSA-N 0 0 242.662 2.183 20 5 BEBDRN Cc1nc(N2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000150955508 180002036 /nfs/dbraw/zinc/00/20/36/180002036.db2.gz WBSLTFSNZJLEMT-QMMMGPOBSA-N 0 0 221.260 2.287 20 5 BEBDRN Cc1nc(NC[C@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000131240421 180021041 /nfs/dbraw/zinc/02/10/41/180021041.db2.gz JCTIVIYIHFNXJA-VXNVDRBHSA-N 0 0 221.260 2.366 20 5 BEBDRN Cc1nc(N[C@H](C)C(C)C)ncc1[N+](=O)[O-] ZINC000296453134 180023606 /nfs/dbraw/zinc/02/36/06/180023606.db2.gz IVGDKQCNSFYFSX-SSDOTTSWSA-N 0 0 224.264 2.150 20 5 BEBDRN Cc1nc(S[C@@H](C)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000230185757 180032835 /nfs/dbraw/zinc/03/28/35/180032835.db2.gz KOQDNLSDMAZNSM-SFYZADRCSA-N 0 0 242.300 2.160 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(SCCCO)c1 ZINC000087151028 490377184 /nfs/dbraw/zinc/37/71/84/490377184.db2.gz YNOUSRBSSIVXJE-UHFFFAOYSA-N 0 0 227.285 2.378 20 5 BEBDRN CC[C@@H](CCO)Nc1ccsc1[N+](=O)[O-] ZINC000309213715 350202452 /nfs/dbraw/zinc/20/24/52/350202452.db2.gz UADIQDIGVLJIBE-ZETCQYMHSA-N 0 0 230.289 2.229 20 5 BEBDRN Cc1ncccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000362706488 180226072 /nfs/dbraw/zinc/22/60/72/180226072.db2.gz DNFMZHXOIXNNGC-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN CC(C)(C)CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000309272331 350249345 /nfs/dbraw/zinc/24/93/45/350249345.db2.gz LIHJCFWOTOTPOK-UHFFFAOYSA-N 0 0 224.264 2.030 20 5 BEBDRN CN(Cc1ccccn1)c1ncccc1[N+](=O)[O-] ZINC000049980109 350272406 /nfs/dbraw/zinc/27/24/06/350272406.db2.gz MWIWYSOSMSWYBY-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN CC(C)[C@@](C)(O)CNc1ccc([N+](=O)[O-])s1 ZINC000309312037 350275512 /nfs/dbraw/zinc/27/55/12/350275512.db2.gz CCYRNUJJNVVYRG-JTQLQIEISA-N 0 0 244.316 2.475 20 5 BEBDRN CCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000050498500 350347789 /nfs/dbraw/zinc/34/77/89/350347789.db2.gz YOZBUDRKBWUENE-UHFFFAOYSA-N 0 0 240.259 2.496 20 5 BEBDRN Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000050823235 350392187 /nfs/dbraw/zinc/39/21/87/350392187.db2.gz MFDBTXVCEJBHBL-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN Cc1nn(C)c(NCCC(C)C)c1[N+](=O)[O-] ZINC000036749256 180358127 /nfs/dbraw/zinc/35/81/27/180358127.db2.gz ZMGYQSYRKIKMOS-UHFFFAOYSA-N 0 0 226.280 2.095 20 5 BEBDRN Cc1nn(C)c(N[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000080120741 180359608 /nfs/dbraw/zinc/35/96/08/180359608.db2.gz OLAWKEHHZIAGJT-VIFPVBQESA-N 0 0 236.275 2.157 20 5 BEBDRN CC1(C)[C@H](O)C[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000309443487 350498238 /nfs/dbraw/zinc/49/82/38/350498238.db2.gz KRKYWWPSHOOQJQ-NKWVEPMBSA-N 0 0 242.300 2.228 20 5 BEBDRN Cc1nn(CCc2ccccc2)cc1[N+](=O)[O-] ZINC000181830328 180389784 /nfs/dbraw/zinc/38/97/84/180389784.db2.gz CFNLQSKIFRDLIQ-UHFFFAOYSA-N 0 0 231.255 2.342 20 5 BEBDRN Cc1nnc(N[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000286544184 180437226 /nfs/dbraw/zinc/43/72/26/180437226.db2.gz PQUQABPVNYTVNT-SSDOTTSWSA-N 0 0 248.242 2.459 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCOCC2CC2)s1 ZINC000309512917 350693871 /nfs/dbraw/zinc/69/38/71/350693871.db2.gz QEBYPTIQFVDPTE-UHFFFAOYSA-N 0 0 242.300 2.495 20 5 BEBDRN Cc1nn(C)c(C)c1Nc1ccc([N+](=O)[O-])nc1 ZINC000344444838 351128816 /nfs/dbraw/zinc/12/88/16/351128816.db2.gz WDBBGRBLMIOEHP-UHFFFAOYSA-N 0 0 247.258 2.084 20 5 BEBDRN CN(Cc1ccco1)c1ccc([N+](=O)[O-])nc1 ZINC000072522049 351251547 /nfs/dbraw/zinc/25/15/47/351251547.db2.gz QVYUZTWTEGKEBT-UHFFFAOYSA-N 0 0 233.227 2.219 20 5 BEBDRN CCCOc1cccc(C(=O)OC)c1[N+](=O)[O-] ZINC000413012295 351251643 /nfs/dbraw/zinc/25/16/43/351251643.db2.gz DURVUZGWKFWRDU-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN CN(C(=O)c1ccc([N+](=O)[O-])o1)C(C)(C)C ZINC000335408923 133858459 /nfs/dbraw/zinc/85/84/59/133858459.db2.gz GIJQQEPZTQZLFP-UHFFFAOYSA-N 0 0 226.232 2.058 20 5 BEBDRN CC(C)[C@H]1CCN1c1ncc([N+](=O)[O-])s1 ZINC000577823911 366071199 /nfs/dbraw/zinc/07/11/99/366071199.db2.gz CVDRFAWALMBJHV-SSDOTTSWSA-N 0 0 227.289 2.286 20 5 BEBDRN Cc1ccc(C(=O)NC[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000032381903 352033713 /nfs/dbraw/zinc/03/37/13/352033713.db2.gz RTOMKQRQAYPXLJ-ONGXEEELSA-N 0 0 248.282 2.289 20 5 BEBDRN CC(C)(O)CCNc1ccc([N+](=O)[O-])cc1F ZINC000274768529 187577693 /nfs/dbraw/zinc/57/76/93/187577693.db2.gz LXRAQERUSJTKEJ-UHFFFAOYSA-N 0 0 242.250 2.307 20 5 BEBDRN CC(C)=CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000191746455 187659531 /nfs/dbraw/zinc/65/95/31/187659531.db2.gz DEDSGWMFSNZEEA-UHFFFAOYSA-N 0 0 248.282 2.220 20 5 BEBDRN O=[N+]([O-])c1ncn(C[C@H]2CCCC(F)(F)C2)n1 ZINC000337889819 187672083 /nfs/dbraw/zinc/67/20/83/187672083.db2.gz GQDYSCHIYOGMQY-ZETCQYMHSA-N 0 0 246.217 2.012 20 5 BEBDRN O=[N+]([O-])c1ncccc1OCCCCF ZINC000284955066 187693388 /nfs/dbraw/zinc/69/33/88/187693388.db2.gz ANVQEHQWRXSZLI-UHFFFAOYSA-N 0 0 214.196 2.118 20 5 BEBDRN COC[C@@H](Nc1ccc([N+](=O)[O-])cn1)C(C)C ZINC000086702354 352520189 /nfs/dbraw/zinc/52/01/89/352520189.db2.gz FIAYKJTZRSAUFH-SNVBAGLBSA-N 0 0 239.275 2.073 20 5 BEBDRN Cc1cccc(NC2CCOCC2)c1[N+](=O)[O-] ZINC000218839340 187905357 /nfs/dbraw/zinc/90/53/57/187905357.db2.gz CWDRXVCTEZMLRA-UHFFFAOYSA-N 0 0 236.271 2.494 20 5 BEBDRN O=c1oc2ccc([N+](=O)[O-])cc2n1CC1CCC1 ZINC000266218800 188022129 /nfs/dbraw/zinc/02/21/29/188022129.db2.gz DKHWODXVTRWSOC-UHFFFAOYSA-N 0 0 248.238 2.303 20 5 BEBDRN O=[N+]([O-])c1ccc(S[C@H]2CCCOC2)nc1 ZINC000269468676 188024092 /nfs/dbraw/zinc/02/40/92/188024092.db2.gz ZNZFYIWJUMVERO-VIFPVBQESA-N 0 0 240.284 2.261 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C1CC1 ZINC000278198417 188030493 /nfs/dbraw/zinc/03/04/93/188030493.db2.gz RYHQOJCCYDQYAI-UHFFFAOYSA-N 0 0 234.255 2.138 20 5 BEBDRN CC(C)=CCNc1cccnc1[N+](=O)[O-] ZINC000232643926 353151841 /nfs/dbraw/zinc/15/18/41/353151841.db2.gz LQGHXVUGAIDURP-UHFFFAOYSA-N 0 0 207.233 2.368 20 5 BEBDRN Cc1c(Cn2ccccc2=O)cccc1[N+](=O)[O-] ZINC000047370105 353152241 /nfs/dbraw/zinc/15/22/41/353152241.db2.gz CWPADLXHAFQKDP-UHFFFAOYSA-N 0 0 244.250 2.113 20 5 BEBDRN Cc1cccc(OCC[C@@H](C)O)c1[N+](=O)[O-] ZINC000134044120 353157463 /nfs/dbraw/zinc/15/74/63/353157463.db2.gz QESWMNSTJXAVPJ-SECBINFHSA-N 0 0 225.244 2.053 20 5 BEBDRN CC(C)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669458 188287194 /nfs/dbraw/zinc/28/71/94/188287194.db2.gz PPQMRAIEQPXRKO-UHFFFAOYSA-N 0 0 240.234 2.214 20 5 BEBDRN O=[N+]([O-])c1nc(Cl)ccc1OC1CC1 ZINC000095735839 188320539 /nfs/dbraw/zinc/32/05/39/188320539.db2.gz YALZRQSSEOODRB-UHFFFAOYSA-N 0 0 214.608 2.184 20 5 BEBDRN CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177853188 188342954 /nfs/dbraw/zinc/34/29/54/188342954.db2.gz RCTCZHSHBVOGRL-MRVPVSSYSA-N 0 0 222.244 2.100 20 5 BEBDRN COc1ccc(OCCSC)c([N+](=O)[O-])c1 ZINC000122082492 188355578 /nfs/dbraw/zinc/35/55/78/188355578.db2.gz BEUROWHZPYHMAD-UHFFFAOYSA-N 0 0 243.284 2.345 20 5 BEBDRN CCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000192959707 353568143 /nfs/dbraw/zinc/56/81/43/353568143.db2.gz IQNJPMHSTGAVHY-UHFFFAOYSA-N 0 0 240.284 2.281 20 5 BEBDRN CN(C[Si](C)(C)C)c1ccncc1[N+](=O)[O-] ZINC001640434547 1172169614 /nfs/dbraw/zinc/16/96/14/1172169614.db2.gz BNPYIFNFXXWIDJ-UHFFFAOYSA-N 0 0 239.351 2.303 20 5 BEBDRN CC1(C)CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000169073891 358483919 /nfs/dbraw/zinc/48/39/19/358483919.db2.gz DHJHZEALKORSFL-QMMMGPOBSA-N 0 0 236.275 2.375 20 5 BEBDRN CC[C@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413027470 191331942 /nfs/dbraw/zinc/33/19/42/191331942.db2.gz ZDERIILFEAQTDH-LURJTMIESA-N 0 0 213.212 2.339 20 5 BEBDRN CCCCN(C)c1ncc([N+](=O)[O-])cc1F ZINC000413024922 191343578 /nfs/dbraw/zinc/34/35/78/191343578.db2.gz OLHROBFUSNSDDJ-UHFFFAOYSA-N 0 0 227.239 2.365 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC2)c(C(F)(F)F)c1 ZINC000413041259 191349785 /nfs/dbraw/zinc/34/97/85/191349785.db2.gz KRELKIMHZSDYLZ-UHFFFAOYSA-N 0 0 247.176 2.219 20 5 BEBDRN CC[C@@H]1OCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000413452945 191385898 /nfs/dbraw/zinc/38/58/98/191385898.db2.gz OPOYSGAFPOJSRV-RQJHMYQMSA-N 0 0 243.288 2.031 20 5 BEBDRN CC1(F)CC(Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413320994 191372222 /nfs/dbraw/zinc/37/22/22/191372222.db2.gz FOCMWJCLUZGJJP-UHFFFAOYSA-N 0 0 243.213 2.431 20 5 BEBDRN CCC1CN(c2ccccc2[N+](=O)[O-])C1 ZINC000413363171 191374640 /nfs/dbraw/zinc/37/46/40/191374640.db2.gz MMUUCHWIEODLQC-UHFFFAOYSA-N 0 0 206.245 2.441 20 5 BEBDRN CCC1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000413359625 191375039 /nfs/dbraw/zinc/37/50/39/191375039.db2.gz HLZMGWHHZRRRJK-UHFFFAOYSA-N 0 0 246.270 2.317 20 5 BEBDRN CC(C)(C)C1CN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000413383264 191378647 /nfs/dbraw/zinc/37/86/47/191378647.db2.gz XJJUMLVKPIYHAG-UHFFFAOYSA-N 0 0 235.287 2.472 20 5 BEBDRN CC[C@H]1CN(c2ccccc2[N+](=O)[O-])CCO1 ZINC000074158836 355321131 /nfs/dbraw/zinc/32/11/31/355321131.db2.gz DSZPORVKADHUEC-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN O=[N+]([O-])c1sccc1NC[C@@H]1CCCOC1 ZINC000049057273 355381589 /nfs/dbraw/zinc/38/15/89/355381589.db2.gz ISWHDJPEQXWCBO-QMMMGPOBSA-N 0 0 242.300 2.495 20 5 BEBDRN O=[N+]([O-])c1ncccc1OCC1CC(F)(F)C1 ZINC000296227969 191642579 /nfs/dbraw/zinc/64/25/79/191642579.db2.gz HIESGXJMOMAYGE-UHFFFAOYSA-N 0 0 244.197 2.414 20 5 BEBDRN O=C(NC[C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000416065875 191714395 /nfs/dbraw/zinc/71/43/95/191714395.db2.gz SOUIENCXZBVTRF-JTQLQIEISA-N 0 0 246.266 2.125 20 5 BEBDRN CCc1noc(-c2cccc(OC)c2[N+](=O)[O-])n1 ZINC000345697462 355872138 /nfs/dbraw/zinc/87/21/38/355872138.db2.gz SVGWTPBQAFTZNH-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN Cc1c(CNc2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000094196971 356385853 /nfs/dbraw/zinc/38/58/53/356385853.db2.gz PRDXUXYSLWCAOK-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000336184171 134120582 /nfs/dbraw/zinc/12/05/82/134120582.db2.gz CDJLGGOJUASLPI-NXEZZACHSA-N 0 0 248.282 2.465 20 5 BEBDRN CC[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H](C)O ZINC000387443327 366256514 /nfs/dbraw/zinc/25/65/14/366256514.db2.gz PULKVQBRNMZGKJ-IONNQARKSA-N 0 0 242.250 2.305 20 5 BEBDRN CC[C@H]1CCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000450309106 202125224 /nfs/dbraw/zinc/12/52/24/202125224.db2.gz QVAKCEVZYSNJBQ-VIFPVBQESA-N 0 0 236.275 2.072 20 5 BEBDRN O=[N+]([O-])c1ccc(S[C@H]2CCCOC2)cn1 ZINC000450436053 202167372 /nfs/dbraw/zinc/16/73/72/202167372.db2.gz QNCIRUDSSMUDJS-VIFPVBQESA-N 0 0 240.284 2.261 20 5 BEBDRN Cc1nc(N[C@@H]2CC23CCCC3)ncc1[N+](=O)[O-] ZINC000450492069 202184563 /nfs/dbraw/zinc/18/45/63/202184563.db2.gz YYWGYPRDFGKYNJ-SNVBAGLBSA-N 0 0 248.286 2.438 20 5 BEBDRN Cc1nc(N[C@H]2CC23CCCC3)ncc1[N+](=O)[O-] ZINC000450492068 202185450 /nfs/dbraw/zinc/18/54/50/202185450.db2.gz YYWGYPRDFGKYNJ-JTQLQIEISA-N 0 0 248.286 2.438 20 5 BEBDRN CC1(F)CC(Nc2ncccc2[N+](=O)[O-])C1 ZINC000450576277 202203508 /nfs/dbraw/zinc/20/35/08/202203508.db2.gz BSTUFHFKUJIZTI-UHFFFAOYSA-N 0 0 225.223 2.292 20 5 BEBDRN Cc1cc(NC(CF)CF)ncc1[N+](=O)[O-] ZINC000450590189 202204647 /nfs/dbraw/zinc/20/46/47/202204647.db2.gz LZUZKBFPMCPIHB-UHFFFAOYSA-N 0 0 231.202 2.018 20 5 BEBDRN CC1(F)CC(Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450585753 202205007 /nfs/dbraw/zinc/20/50/07/202205007.db2.gz ZLRYNIDBYDZDMZ-UHFFFAOYSA-N 0 0 225.223 2.292 20 5 BEBDRN O=[N+]([O-])c1ccc(OCC[C@@H]2CCOC2)cc1 ZINC000450622022 202212391 /nfs/dbraw/zinc/21/23/91/202212391.db2.gz NAVNWTZCOAGEOU-JTQLQIEISA-N 0 0 237.255 2.400 20 5 BEBDRN C[C@H](C1CC1)N(C)c1ncc([N+](=O)[O-])cc1F ZINC000582891934 357422439 /nfs/dbraw/zinc/42/24/39/357422439.db2.gz SMTABKPDJDBNIB-SSDOTTSWSA-N 0 0 239.250 2.364 20 5 BEBDRN CC1(C)CN(c2ccccc2[N+](=O)[O-])C1 ZINC000618981431 357996695 /nfs/dbraw/zinc/99/66/95/357996695.db2.gz PWIIQFLAABSVKE-UHFFFAOYSA-N 0 0 206.245 2.441 20 5 BEBDRN Cc1cccc(NCC(C)(C)O)c1[N+](=O)[O-] ZINC000218849532 134265050 /nfs/dbraw/zinc/26/50/50/134265050.db2.gz OEKQYKQJBCJQON-UHFFFAOYSA-N 0 0 224.260 2.086 20 5 BEBDRN O=[N+]([O-])c1ncccc1SC1CCOCC1 ZINC000611116481 358758913 /nfs/dbraw/zinc/75/89/13/358758913.db2.gz BWBKTWRTQSUNGE-UHFFFAOYSA-N 0 0 240.284 2.261 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[C@H](C)O ZINC000132468196 358723925 /nfs/dbraw/zinc/72/39/25/358723925.db2.gz QQKDETMGISFZNJ-UWVGGRQHSA-N 0 0 238.287 2.475 20 5 BEBDRN O=[N+]([O-])c1ccc(CNc2nncs2)cc1 ZINC000069965954 359036967 /nfs/dbraw/zinc/03/69/67/359036967.db2.gz LUYSQRIFMJPYHG-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@H]1F ZINC000611494062 359382789 /nfs/dbraw/zinc/38/27/89/359382789.db2.gz CFJSVNQXFMYHQR-PSASIEDQSA-N 0 0 239.250 2.174 20 5 BEBDRN CC(C)[C@@H]1CCN1c1ncccc1[N+](=O)[O-] ZINC000450808918 202272561 /nfs/dbraw/zinc/27/25/61/202272561.db2.gz ILNQAFBSRXGPTM-VIFPVBQESA-N 0 0 221.260 2.225 20 5 BEBDRN Cc1cc(=O)n(CCC(C)(F)F)cc1[N+](=O)[O-] ZINC000450865252 202293454 /nfs/dbraw/zinc/29/34/54/202293454.db2.gz DIWNIRBNGXNRHA-UHFFFAOYSA-N 0 0 246.213 2.110 20 5 BEBDRN Cc1cc(COc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000578906082 366672915 /nfs/dbraw/zinc/67/29/15/366672915.db2.gz KCTYQSUWHVUDFT-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN CCC(C)(C)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000428701916 201037116 /nfs/dbraw/zinc/03/71/16/201037116.db2.gz QYXXENXRGOOFMR-UHFFFAOYSA-N 0 0 239.275 2.089 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NC1CCCCC1 ZINC000007124603 361386671 /nfs/dbraw/zinc/38/66/71/361386671.db2.gz IHCVAJJUJBTDSK-UHFFFAOYSA-N 0 0 224.264 2.073 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1Cn1cc(C)cn1 ZINC000429796295 201133530 /nfs/dbraw/zinc/13/35/30/201133530.db2.gz OHNCVJXWLFYJHK-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN CC(C)(C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669418 364458753 /nfs/dbraw/zinc/45/87/53/364458753.db2.gz XBRZDQMHNNJCTG-UHFFFAOYSA-N 0 0 240.234 2.262 20 5 BEBDRN CCc1cnn(Cc2ccccc2[N+](=O)[O-])c1 ZINC000573338753 364804393 /nfs/dbraw/zinc/80/43/93/364804393.db2.gz XIBLRSCYXGRVJO-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN O=[N+]([O-])c1ccccc1C=CCNc1c[nH]cn1 ZINC000573651676 364883183 /nfs/dbraw/zinc/88/31/83/364883183.db2.gz OKLVSXXUESKKGI-HYXAFXHYSA-N 0 0 244.254 2.443 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1Nc1c[nH]cn1 ZINC000574146374 364995218 /nfs/dbraw/zinc/99/52/18/364995218.db2.gz WYJXMVYNWQECLZ-UHFFFAOYSA-N 0 0 222.179 2.201 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC=CC2)c1 ZINC000574330302 365038306 /nfs/dbraw/zinc/03/83/06/365038306.db2.gz PJHCHNOTXCEDBI-UHFFFAOYSA-N 0 0 204.229 2.279 20 5 BEBDRN C[C@H]1C[C@H]1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000575167839 365225256 /nfs/dbraw/zinc/22/52/56/365225256.db2.gz UZSNHCYQDYHAOA-ONGXEEELSA-N 0 0 248.282 2.257 20 5 BEBDRN Cc1nc(N[C@H]2C=CCCC2)ncc1[N+](=O)[O-] ZINC000450374676 201454655 /nfs/dbraw/zinc/45/46/55/201454655.db2.gz CFYDDMFBKYPOIV-VIFPVBQESA-N 0 0 234.259 2.214 20 5 BEBDRN CC[C@H](F)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000440596703 201496235 /nfs/dbraw/zinc/49/62/35/201496235.db2.gz AFNFQSRVXXRAEX-VIFPVBQESA-N 0 0 243.234 2.214 20 5 BEBDRN CCOC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185192596 367125331 /nfs/dbraw/zinc/12/53/31/367125331.db2.gz WUHHQGRTTIAAPS-SSDOTTSWSA-N 0 0 241.218 2.401 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCCC2CC2)c1 ZINC000081007232 370837614 /nfs/dbraw/zinc/83/76/14/370837614.db2.gz ZFBXRICJXLXKKH-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN COCCCOc1cc(C)ccc1[N+](=O)[O-] ZINC000193230178 367157465 /nfs/dbraw/zinc/15/74/65/367157465.db2.gz USFUKTMXHSQOOT-UHFFFAOYSA-N 0 0 225.244 2.319 20 5 BEBDRN COCCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000193224148 367157931 /nfs/dbraw/zinc/15/79/31/367157931.db2.gz WBLIYIRNWDZOFZ-UHFFFAOYSA-N 0 0 241.243 2.019 20 5 BEBDRN Cc1nc(N2CCCC2(C)C)ncc1[N+](=O)[O-] ZINC000581112813 367265819 /nfs/dbraw/zinc/26/58/19/367265819.db2.gz WOJONJCHUKZURS-UHFFFAOYSA-N 0 0 236.275 2.072 20 5 BEBDRN Cc1nccn1CCOc1cccc([N+](=O)[O-])c1 ZINC000194112894 367248237 /nfs/dbraw/zinc/24/82/37/367248237.db2.gz BXSWXLKWGNNZTQ-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NCc1ccncn1 ZINC000054789103 367370586 /nfs/dbraw/zinc/37/05/86/367370586.db2.gz KEJDUXRENMHRET-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ncc[nH]1 ZINC000139766848 367997306 /nfs/dbraw/zinc/99/73/06/367997306.db2.gz VUACLJISVMMXPL-SECBINFHSA-N 0 0 247.258 2.276 20 5 BEBDRN O=[N+]([O-])c1ccccc1Nc1cn[nH]c1 ZINC000030587631 368368140 /nfs/dbraw/zinc/36/81/40/368368140.db2.gz LHIMFOZHYKLFHP-UHFFFAOYSA-N 0 0 204.189 2.062 20 5 BEBDRN Cc1ccc(C(=O)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000058733575 368519775 /nfs/dbraw/zinc/51/97/75/368519775.db2.gz ZCTQECLOCXAXRV-UHFFFAOYSA-N 0 0 234.255 2.138 20 5 BEBDRN CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000068104186 368714324 /nfs/dbraw/zinc/71/43/24/368714324.db2.gz QCJJHXYGVOWRRF-RUDMXATFSA-N 0 0 246.266 2.229 20 5 BEBDRN CC(C)N(C(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000074465245 368844780 /nfs/dbraw/zinc/84/47/80/368844780.db2.gz YKOFNWVSWMPNQN-UHFFFAOYSA-N 0 0 238.243 2.201 20 5 BEBDRN O=[N+]([O-])c1sccc1NCC[C@@H]1CCOC1 ZINC000309540745 370224928 /nfs/dbraw/zinc/22/49/28/370224928.db2.gz YFJNZEQQOQCHBA-MRVPVSSYSA-N 0 0 242.300 2.495 20 5 BEBDRN CCC[C@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000309798449 370262219 /nfs/dbraw/zinc/26/22/19/370262219.db2.gz VYFPCBFBSRGGIY-ZETCQYMHSA-N 0 0 224.264 2.173 20 5 BEBDRN C[C@H]1SCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000309839843 370267522 /nfs/dbraw/zinc/26/75/22/370267522.db2.gz ODGUPMROQHQCJS-VXNVDRBHSA-N 0 0 239.300 2.296 20 5 BEBDRN Cc1nc(S[C@@H](C)CCO)ccc1[N+](=O)[O-] ZINC000161563254 370411418 /nfs/dbraw/zinc/41/14/18/370411418.db2.gz TTXGRKBZDUEJBU-ZETCQYMHSA-N 0 0 242.300 2.161 20 5 BEBDRN Cc1nc(C)c(CNc2cccnc2[N+](=O)[O-])o1 ZINC000311652414 370417848 /nfs/dbraw/zinc/41/78/48/370417848.db2.gz CSMMGQVGCICOSP-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN COc1ccccc1Cn1c(C)ncc1[N+](=O)[O-] ZINC000065694099 370505849 /nfs/dbraw/zinc/50/58/49/370505849.db2.gz SGKWDJGXJBJQMT-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN Cc1nc(C(=O)Nc2ccc([N+](=O)[O-])cc2)co1 ZINC000619866063 370604787 /nfs/dbraw/zinc/60/47/87/370604787.db2.gz JUPFMVHGOCNSDN-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@@H]3CCC[C@H]32)s1 ZINC000619697426 370582492 /nfs/dbraw/zinc/58/24/92/370582492.db2.gz CDQXHKRZJWHJDW-JGVFFNPUSA-N 0 0 239.300 2.430 20 5 BEBDRN O=[N+]([O-])c1cn(CCCCF)nc1C1CC1 ZINC000349856702 370586163 /nfs/dbraw/zinc/58/61/63/370586163.db2.gz ZDWKGWMMXUDIRY-UHFFFAOYSA-N 0 0 227.239 2.418 20 5 BEBDRN CC[C@@H](O)CCNc1sccc1[N+](=O)[O-] ZINC000301998804 371012729 /nfs/dbraw/zinc/01/27/29/371012729.db2.gz IIOHEVUWGVPFPP-SSDOTTSWSA-N 0 0 230.289 2.229 20 5 BEBDRN CCc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000278082651 371206675 /nfs/dbraw/zinc/20/66/75/371206675.db2.gz GMDSEUMZOWSFTD-UHFFFAOYSA-N 0 0 225.229 2.269 20 5 BEBDRN COC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000096321167 371469445 /nfs/dbraw/zinc/46/94/45/371469445.db2.gz MYJAKYQVMDBEOM-UHFFFAOYSA-N 0 0 229.619 2.343 20 5 BEBDRN C/C=C/CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000600489450 371673610 /nfs/dbraw/zinc/67/36/10/371673610.db2.gz GPNOGNYUZGRTBI-NSCUHMNNSA-N 0 0 248.282 2.220 20 5 BEBDRN CCc1cc(CC)n(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000131628034 371636763 /nfs/dbraw/zinc/63/67/63/371636763.db2.gz HYMHTMPTHZGZAJ-UHFFFAOYSA-N 0 0 246.270 2.300 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CC[C@H]1CCCCO1 ZINC000351673897 371653342 /nfs/dbraw/zinc/65/33/42/371653342.db2.gz KBVQDSPPBXZYQV-SNVBAGLBSA-N 0 0 239.275 2.059 20 5 BEBDRN Cc1cc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)on1 ZINC000351667189 371653637 /nfs/dbraw/zinc/65/36/37/371653637.db2.gz FTBNYNIQZMICPO-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN O=C(NCC1CC=CC1)c1ccccc1[N+](=O)[O-] ZINC000600230558 371654256 /nfs/dbraw/zinc/65/42/56/371654256.db2.gz UOEAMOIPIXCKII-UHFFFAOYSA-N 0 0 246.266 2.291 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@]23C[C@@H]2CCCC3)nc1 ZINC000601225740 371739812 /nfs/dbraw/zinc/73/98/12/371739812.db2.gz IYBJKYYYDOBFKD-KWQFWETISA-N 0 0 234.259 2.129 20 5 BEBDRN CCCCC(=O)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000601069453 371723960 /nfs/dbraw/zinc/72/39/60/371723960.db2.gz IYJSTWSGVSSIJC-UHFFFAOYSA-N 0 0 239.275 2.167 20 5 BEBDRN CCCCN(C)c1ncc(F)cc1[N+](=O)[O-] ZINC000601099018 371726378 /nfs/dbraw/zinc/72/63/78/371726378.db2.gz OOGGSWFBHJAZOH-UHFFFAOYSA-N 0 0 227.239 2.365 20 5 BEBDRN C[C@H]1OCC[C@@H]1COc1ccc([N+](=O)[O-])cc1 ZINC000601071088 371726542 /nfs/dbraw/zinc/72/65/42/371726542.db2.gz UFJYQIJAKZZDDD-NXEZZACHSA-N 0 0 237.255 2.399 20 5 BEBDRN C[C@@H]1CCCN1c1ncc(F)cc1[N+](=O)[O-] ZINC000601125352 371727892 /nfs/dbraw/zinc/72/78/92/371727892.db2.gz PONAXZWVGWZNCT-SSDOTTSWSA-N 0 0 225.223 2.118 20 5 BEBDRN O=C(NC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601124456 371728530 /nfs/dbraw/zinc/72/85/30/371728530.db2.gz GFXVGDOWPONHNQ-UHFFFAOYSA-N 0 0 238.218 2.016 20 5 BEBDRN CN(CCF)c1c(Cl)cncc1[N+](=O)[O-] ZINC000601169289 371732528 /nfs/dbraw/zinc/73/25/28/371732528.db2.gz MFTGNGTTZMZOIV-UHFFFAOYSA-N 0 0 233.630 2.049 20 5 BEBDRN CCC1(C)CN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601166031 371732548 /nfs/dbraw/zinc/73/25/48/371732548.db2.gz FKVJCFFLVCFFKN-UHFFFAOYSA-N 0 0 239.250 2.365 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1S[C@@H]1CCOC1 ZINC000601155350 371732676 /nfs/dbraw/zinc/73/26/76/371732676.db2.gz HVHSRWWAIHAGKK-SSDOTTSWSA-N 0 0 244.247 2.010 20 5 BEBDRN Cc1cc(N(C)CCF)c([N+](=O)[O-])s1 ZINC000601170133 371734881 /nfs/dbraw/zinc/73/48/81/371734881.db2.gz WXWOWQXZWZRADH-UHFFFAOYSA-N 0 0 218.253 2.370 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]2C(F)(F)F)nc1 ZINC000601190109 371735478 /nfs/dbraw/zinc/73/54/78/371735478.db2.gz ZUHHJSQATKWVRX-SSDOTTSWSA-N 0 0 247.176 2.131 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCC12CC2 ZINC000601209793 371736388 /nfs/dbraw/zinc/73/63/88/371736388.db2.gz LAFOAQDPRWHRMY-QMMMGPOBSA-N 0 0 236.275 2.073 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NCC(C)(C)F ZINC000601206320 371736982 /nfs/dbraw/zinc/73/69/82/371736982.db2.gz VJALIIBOIGXXDY-UHFFFAOYSA-N 0 0 244.270 2.280 20 5 BEBDRN Cc1ccc(N[C@H]2C[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000601211651 371738322 /nfs/dbraw/zinc/73/83/22/371738322.db2.gz HDUGZXDPGJFKRI-AOOOYVTPSA-N 0 0 236.271 2.086 20 5 BEBDRN O=[N+]([O-])c1ccc(N2OC3CCC2CC3)cn1 ZINC000601271767 371744741 /nfs/dbraw/zinc/74/47/41/371744741.db2.gz RUEIKHFWRUEJRZ-UHFFFAOYSA-N 0 0 235.243 2.053 20 5 BEBDRN CC[C@@H]1C[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000227012697 371767902 /nfs/dbraw/zinc/76/79/02/371767902.db2.gz HCJGQBUCZBSQSQ-VXNVDRBHSA-N 0 0 207.233 2.200 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C[C@@H](C)O ZINC000132467985 371829795 /nfs/dbraw/zinc/82/97/95/371829795.db2.gz QQKDETMGISFZNJ-NXEZZACHSA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1nn(Cc2ccc([N+](=O)[O-])cc2)c(C)c1N ZINC000602423466 371803286 /nfs/dbraw/zinc/80/32/86/371803286.db2.gz ZBYOYXFITLZXMW-UHFFFAOYSA-N 0 0 246.270 2.039 20 5 BEBDRN C[C@@H](SCCO)c1ccccc1[N+](=O)[O-] ZINC000603314386 371881935 /nfs/dbraw/zinc/88/19/35/371881935.db2.gz ZEODLFODBLIUPG-MRVPVSSYSA-N 0 0 227.285 2.381 20 5 BEBDRN CCCn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000603322706 371883904 /nfs/dbraw/zinc/88/39/04/371883904.db2.gz XMTLOPUURUSDGU-UHFFFAOYSA-N 0 0 220.232 2.058 20 5 BEBDRN CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000602751792 371839094 /nfs/dbraw/zinc/83/90/94/371839094.db2.gz KDPIRCGNTJPHFZ-UHFFFAOYSA-N 0 0 220.272 2.437 20 5 BEBDRN CC(=O)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602803257 371842955 /nfs/dbraw/zinc/84/29/55/371842955.db2.gz AUJIZOSORCWKIY-SNVBAGLBSA-N 0 0 236.271 2.143 20 5 BEBDRN Cc1cn(Cc2cnc(C3CC3)o2)nc1[N+](=O)[O-] ZINC000603424765 371893973 /nfs/dbraw/zinc/89/39/73/371893973.db2.gz YKZDBNUCVGCUOG-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN Cc1sc(C(=O)N2CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000604438375 371977564 /nfs/dbraw/zinc/97/75/64/371977564.db2.gz GYWPADZXVWWCDQ-LURJTMIESA-N 0 0 240.284 2.199 20 5 BEBDRN O=C(COc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000278268485 182004222 /nfs/dbraw/zinc/00/42/22/182004222.db2.gz OQVNHEPVVZFLHC-UHFFFAOYSA-N 0 0 235.239 2.343 20 5 BEBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NC1CCCC1 ZINC000072108202 182043170 /nfs/dbraw/zinc/04/31/70/182043170.db2.gz DJMLSGQAOIIOMJ-UHFFFAOYSA-N 0 0 248.282 2.196 20 5 BEBDRN O=[N+]([O-])c1cccc(CNCc2nccs2)c1 ZINC000040444002 373265471 /nfs/dbraw/zinc/26/54/71/373265471.db2.gz VAICAQPVDBRSAH-UHFFFAOYSA-N 0 0 249.295 2.341 20 5 BEBDRN O=C(NCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000026148009 182145117 /nfs/dbraw/zinc/14/51/17/182145117.db2.gz SCKPSTYYZPJXQW-UHFFFAOYSA-N 0 0 234.255 2.125 20 5 BEBDRN O=C(NCCC1=CCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000337966661 182151524 /nfs/dbraw/zinc/15/15/24/182151524.db2.gz CVPHICOYCQSEQR-UHFFFAOYSA-N 0 0 249.270 2.153 20 5 BEBDRN O=C(NCCCCF)c1ccc([N+](=O)[O-])cc1 ZINC000360518754 182164777 /nfs/dbraw/zinc/16/47/77/182164777.db2.gz YDGCKVNKCXPJTN-UHFFFAOYSA-N 0 0 240.234 2.074 20 5 BEBDRN Cc1cnn(Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000174166090 374143915 /nfs/dbraw/zinc/14/39/15/374143915.db2.gz BVESCRFYXBPBLM-UHFFFAOYSA-N 0 0 217.228 2.148 20 5 BEBDRN CC(C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000041663478 374171635 /nfs/dbraw/zinc/17/16/35/374171635.db2.gz YJGUOKPBSYJZMI-UHFFFAOYSA-N 0 0 248.080 2.210 20 5 BEBDRN CC(=O)CSc1ccc([N+](=O)[O-])cc1F ZINC000174418979 374192123 /nfs/dbraw/zinc/19/21/23/374192123.db2.gz LRPSEHKEPKNFDF-UHFFFAOYSA-N 0 0 229.232 2.415 20 5 BEBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)C1=CCCC1 ZINC000125057416 182251582 /nfs/dbraw/zinc/25/15/82/182251582.db2.gz PWKRYCSDEHJOBI-UHFFFAOYSA-N 0 0 246.266 2.321 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000340429711 182371840 /nfs/dbraw/zinc/37/18/40/182371840.db2.gz NEVKINSLSUEKCK-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCOCC2CC2)cc1 ZINC000224511417 182936406 /nfs/dbraw/zinc/93/64/06/182936406.db2.gz HSIUMNAPOFGNEM-UHFFFAOYSA-N 0 0 236.271 2.433 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCCn2cccn2)cc1 ZINC000073286442 182934545 /nfs/dbraw/zinc/93/45/45/182934545.db2.gz UZWFWJFBCSYPCI-UHFFFAOYSA-N 0 0 246.270 2.294 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC(F)F)c([N+](=O)[O-])c1 ZINC000075060190 182934815 /nfs/dbraw/zinc/93/48/15/182934815.db2.gz ZZPOWUWUNZHOEJ-UHFFFAOYSA-N 0 0 247.157 2.180 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@H](CO)C1CC1 ZINC000357778542 182950855 /nfs/dbraw/zinc/95/08/55/182950855.db2.gz DHSIHWDPNXOAAD-SNVBAGLBSA-N 0 0 236.271 2.025 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@H]2C2CC2)s1 ZINC000375587608 182957541 /nfs/dbraw/zinc/95/75/41/182957541.db2.gz ZPDJIGVOXCCMGI-QMMMGPOBSA-N 0 0 239.300 2.430 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@@H]3CCCC[C@@H]32)nc1 ZINC000302085505 182957754 /nfs/dbraw/zinc/95/77/54/182957754.db2.gz DSGOHGFWKFMLFD-ONGXEEELSA-N 0 0 248.286 2.154 20 5 BEBDRN CCC[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338940622 169081687 /nfs/dbraw/zinc/08/16/87/169081687.db2.gz CRUTVCMSNCIWQJ-UHFFFAOYSA-N 0 0 224.260 2.142 20 5 BEBDRN CCCN(C)c1ncc(C)cc1[N+](=O)[O-] ZINC000266195823 169089631 /nfs/dbraw/zinc/08/96/31/169089631.db2.gz HSQFCLFKIHEDBM-UHFFFAOYSA-N 0 0 209.249 2.144 20 5 BEBDRN CCCN(CCC)c1ncc([N+](=O)[O-])cn1 ZINC000273641691 169153807 /nfs/dbraw/zinc/15/38/07/169153807.db2.gz SERZLYUSZUKSGU-UHFFFAOYSA-N 0 0 224.264 2.011 20 5 BEBDRN CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000168992886 169240270 /nfs/dbraw/zinc/24/02/70/169240270.db2.gz PAKSNPGNEDSSFJ-UHFFFAOYSA-N 0 0 241.222 2.265 20 5 BEBDRN CCC[C@@H](CC)Nc1c([N+](=O)[O-])ncn1C ZINC000106488891 169380082 /nfs/dbraw/zinc/38/00/82/169380082.db2.gz PYWOHBOZDSIPHZ-MRVPVSSYSA-N 0 0 226.280 2.319 20 5 BEBDRN CCC[C@H]1C[C@H]1Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000297278713 169539299 /nfs/dbraw/zinc/53/92/99/169539299.db2.gz XGZKCJYOENLLGD-DTWKUNHWSA-N 0 0 236.275 2.294 20 5 BEBDRN CCC1(NC(=O)c2ccc([N+](=O)[O-])o2)CCC1 ZINC000178589740 383916579 /nfs/dbraw/zinc/91/65/79/383916579.db2.gz CVEHAXLOUUOKMK-UHFFFAOYSA-N 0 0 238.243 2.250 20 5 BEBDRN O=[N+]([O-])c1cn(CCC2CCCC2)cn1 ZINC000126384643 383926468 /nfs/dbraw/zinc/92/64/68/383926468.db2.gz YMADANPKIQVGHI-UHFFFAOYSA-N 0 0 209.249 2.372 20 5 BEBDRN CC1=CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000339221689 383928671 /nfs/dbraw/zinc/92/86/71/383928671.db2.gz JBHGGOUIHFKBNL-UHFFFAOYSA-N 0 0 219.244 2.146 20 5 BEBDRN CCN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000112182558 383900990 /nfs/dbraw/zinc/90/09/90/383900990.db2.gz CTHQBYCEFADGGB-UHFFFAOYSA-N 0 0 248.282 2.467 20 5 BEBDRN Cc1ccc(OCC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000339330489 383966700 /nfs/dbraw/zinc/96/67/00/383966700.db2.gz UGVLTOBENFILCR-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN Cc1cccc(C(=O)N2CC3(CC3)C2)c1[N+](=O)[O-] ZINC000334854258 383970417 /nfs/dbraw/zinc/97/04/17/383970417.db2.gz QXOMCTQLODAVHB-UHFFFAOYSA-N 0 0 246.266 2.139 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC12CC2 ZINC000334995602 384008056 /nfs/dbraw/zinc/00/80/56/384008056.db2.gz QLYJEBKMUHLFME-JTQLQIEISA-N 0 0 232.239 2.333 20 5 BEBDRN CCc1cnc(CNc2cccnc2[N+](=O)[O-])o1 ZINC000234267371 384032521 /nfs/dbraw/zinc/03/25/21/384032521.db2.gz HCTXMKWHALWKGD-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CCCC(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000158594305 384042160 /nfs/dbraw/zinc/04/21/60/384042160.db2.gz RJRGFBVOYYONEQ-UHFFFAOYSA-N 0 0 222.244 2.358 20 5 BEBDRN CC(=O)c1ccc(NCCF)c([N+](=O)[O-])c1 ZINC000309657498 384057628 /nfs/dbraw/zinc/05/76/28/384057628.db2.gz ZUPJUJPMBSHSOW-UHFFFAOYSA-N 0 0 226.207 2.179 20 5 BEBDRN CCCC(=O)COc1ncc(C)cc1[N+](=O)[O-] ZINC000289443410 384102692 /nfs/dbraw/zinc/10/26/92/384102692.db2.gz ZGNZZRZDUBYCHH-UHFFFAOYSA-N 0 0 238.243 2.046 20 5 BEBDRN CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000005465726 384115100 /nfs/dbraw/zinc/11/51/00/384115100.db2.gz KSRRPQBAYNGNPL-UHFFFAOYSA-N 0 0 236.271 2.054 20 5 BEBDRN C[C@H]1CSC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000309795209 384175669 /nfs/dbraw/zinc/17/56/69/384175669.db2.gz QADIYYSEXOSCMW-JGVFFNPUSA-N 0 0 239.300 2.153 20 5 BEBDRN CN(CCC1CC1)c1ccncc1[N+](=O)[O-] ZINC000361076630 384185226 /nfs/dbraw/zinc/18/52/26/384185226.db2.gz ZCBDBCNZEVIQMK-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN CCN(CC)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135011433 384191014 /nfs/dbraw/zinc/19/10/14/384191014.db2.gz RPJWICHQIUVVMY-UHFFFAOYSA-N 0 0 240.234 2.216 20 5 BEBDRN CC[C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135011223 384192010 /nfs/dbraw/zinc/19/20/10/384192010.db2.gz GIRKJYSJSBFQAF-SSDOTTSWSA-N 0 0 240.234 2.262 20 5 BEBDRN CSCCNc1nccc(C)c1[N+](=O)[O-] ZINC000070062835 384216692 /nfs/dbraw/zinc/21/66/92/384216692.db2.gz SMGMQCATMFANNS-UHFFFAOYSA-N 0 0 227.289 2.073 20 5 BEBDRN CO[C@@H](C)CN(C)c1ccc([N+](=O)[O-])cc1F ZINC000286306844 384268257 /nfs/dbraw/zinc/26/82/57/384268257.db2.gz HSFCXGRRAQSBHZ-QMMMGPOBSA-N 0 0 242.250 2.205 20 5 BEBDRN CO[C@H](C)CN(C)c1ccccc1[N+](=O)[O-] ZINC000286353383 384276491 /nfs/dbraw/zinc/27/64/91/384276491.db2.gz KKYANHLZOPDWSC-SECBINFHSA-N 0 0 224.260 2.066 20 5 BEBDRN CC[C@@H](O)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000229996192 384347291 /nfs/dbraw/zinc/34/72/91/384347291.db2.gz AYDIMLYMKMDUCO-SSDOTTSWSA-N 0 0 244.678 2.431 20 5 BEBDRN CON(C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000286912795 384420403 /nfs/dbraw/zinc/42/04/03/384420403.db2.gz KHWZZKHFYRGCIH-UHFFFAOYSA-N 0 0 216.624 2.246 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2CCCC2)cc1CO ZINC000337432477 384445043 /nfs/dbraw/zinc/44/50/43/384445043.db2.gz GUFFUPLGXAWYGZ-UHFFFAOYSA-N 0 0 237.255 2.409 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCC1(C(F)F)CC1 ZINC000359828933 384445775 /nfs/dbraw/zinc/44/57/75/384445775.db2.gz HGIHMIQJTFOOOZ-UHFFFAOYSA-N 0 0 243.213 2.447 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(Oc2cccnn2)c1 ZINC000572908626 384431430 /nfs/dbraw/zinc/43/14/30/384431430.db2.gz NFQXMOAXERNKDK-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN C[C@H](O)C(C)(C)Nc1ccc([N+](=O)[O-])cc1 ZINC000158817294 384487449 /nfs/dbraw/zinc/48/74/49/384487449.db2.gz ZAZXUKPWVGGARO-QMMMGPOBSA-N 0 0 224.260 2.166 20 5 BEBDRN Cc1cnc(NC[C@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000127300171 384535037 /nfs/dbraw/zinc/53/50/37/384535037.db2.gz HRDZNYBNYCPHAC-RKDXNWHRSA-N 0 0 221.260 2.366 20 5 BEBDRN Nc1ccc(NC2CCC2)c([N+](=O)[O-])c1 ZINC000287549870 384517537 /nfs/dbraw/zinc/51/75/37/384517537.db2.gz WHOUOZGIOAMVPN-UHFFFAOYSA-N 0 0 207.233 2.141 20 5 BEBDRN O=[N+]([O-])c1ncccc1OCCC1CC1 ZINC000340639454 384521086 /nfs/dbraw/zinc/52/10/86/384521086.db2.gz JXROEIJXKFZJBH-UHFFFAOYSA-N 0 0 208.217 2.169 20 5 BEBDRN O=c1c([N+](=O)[O-])cc(Cl)cn1CCC1CC1 ZINC000340703122 384542526 /nfs/dbraw/zinc/54/25/26/384542526.db2.gz GXNRRCDTQPXNEA-UHFFFAOYSA-N 0 0 242.662 2.210 20 5 BEBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC1 ZINC000289979444 384546076 /nfs/dbraw/zinc/54/60/76/384546076.db2.gz ZPZVNIJDNXNALB-UHFFFAOYSA-N 0 0 249.270 2.441 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCC2CC2)cc1CO ZINC000340709419 384552319 /nfs/dbraw/zinc/55/23/19/384552319.db2.gz SILGKDVFWUKPFC-UHFFFAOYSA-N 0 0 237.255 2.266 20 5 BEBDRN CC(C)(C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000340727814 384561073 /nfs/dbraw/zinc/56/10/73/384561073.db2.gz ROLAFPYQJRRJJA-UHFFFAOYSA-N 0 0 239.275 2.089 20 5 BEBDRN C[C@H](O)CN(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000049776476 384565853 /nfs/dbraw/zinc/56/58/53/384565853.db2.gz UDEUTNAFTXRYII-ZETCQYMHSA-N 0 0 244.678 2.065 20 5 BEBDRN CC1(C)CCC(Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000180435744 384593403 /nfs/dbraw/zinc/59/34/03/384593403.db2.gz LOUCWKJKKZBPKV-UHFFFAOYSA-N 0 0 238.291 2.403 20 5 BEBDRN CCc1ccc(C(=O)N(C)CC)cc1[N+](=O)[O-] ZINC000081833248 384634493 /nfs/dbraw/zinc/63/44/93/384634493.db2.gz UISAKAHCOFWTCN-UHFFFAOYSA-N 0 0 236.271 2.249 20 5 BEBDRN CC1(C)C[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000178818966 384635761 /nfs/dbraw/zinc/63/57/61/384635761.db2.gz ZABIHFFXGLUAOG-SNVBAGLBSA-N 0 0 248.282 2.257 20 5 BEBDRN Cc1nc(CNc2cccc([N+](=O)[O-])c2C)no1 ZINC000084501464 384725821 /nfs/dbraw/zinc/72/58/21/384725821.db2.gz XBWLOYHXHBPRGW-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN C[C@@H](O)C[C@@H](C)CNc1ccc([N+](=O)[O-])s1 ZINC000309912284 384704903 /nfs/dbraw/zinc/70/49/03/384704903.db2.gz NJWGFFUROYNPMV-HTQZYQBOSA-N 0 0 244.316 2.475 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1Cn1cccn1 ZINC000108657726 384729989 /nfs/dbraw/zinc/72/99/89/384729989.db2.gz PKYSMBAOFVOAGA-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN Cc1cccc(OCc2ncccn2)c1[N+](=O)[O-] ZINC000188129808 384818552 /nfs/dbraw/zinc/81/85/52/384818552.db2.gz GIKFCZPXRHOILR-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN C[C@H](C(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000559349242 384828989 /nfs/dbraw/zinc/82/89/89/384828989.db2.gz WVZLZSOOSHVBHR-VIFPVBQESA-N 0 0 248.282 2.225 20 5 BEBDRN Cc1cc(C(=O)NC2CCC2)cc([N+](=O)[O-])c1 ZINC000264377453 384809081 /nfs/dbraw/zinc/80/90/81/384809081.db2.gz DSNOPROOMLCIOP-UHFFFAOYSA-N 0 0 234.255 2.186 20 5 BEBDRN CO[C@@H](C)COc1ccc(C)cc1[N+](=O)[O-] ZINC000180936598 384845719 /nfs/dbraw/zinc/84/57/19/384845719.db2.gz NDJGRMWGCBAUJN-VIFPVBQESA-N 0 0 225.244 2.317 20 5 BEBDRN CO[C@H](C)COc1ccc([N+](=O)[O-])cc1F ZINC000180965384 384861233 /nfs/dbraw/zinc/86/12/33/384861233.db2.gz HRBRBLJMZZJCFI-SSDOTTSWSA-N 0 0 229.207 2.148 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H](O)C2CC2)c1 ZINC000084726565 384866115 /nfs/dbraw/zinc/86/61/15/384866115.db2.gz RFEZXKQTQBYYKR-LBPRGKRZSA-N 0 0 236.271 2.086 20 5 BEBDRN CO[C@H](C)COc1ccc([N+](=O)[O-])cc1C ZINC000181040120 384891126 /nfs/dbraw/zinc/89/11/26/384891126.db2.gz RKAZRTOTEFHOMO-SECBINFHSA-N 0 0 225.244 2.317 20 5 BEBDRN Cc1cc(COc2ncc(C)cc2[N+](=O)[O-])no1 ZINC000178279813 384907078 /nfs/dbraw/zinc/90/70/78/384907078.db2.gz CSAQHICLULTSIW-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CC[C@H](CNc1nccc(C)c1[N+](=O)[O-])OC ZINC000290753578 384912711 /nfs/dbraw/zinc/91/27/11/384912711.db2.gz SUMQJSHSEQHGJZ-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NCc1cccnn1 ZINC000236218508 385075905 /nfs/dbraw/zinc/07/59/05/385075905.db2.gz VXXVYIYKBYUJAL-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN CCO[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000381495083 385082228 /nfs/dbraw/zinc/08/22/28/385082228.db2.gz MAPGEANKSRNWJM-WDEREUQCSA-N 0 0 222.244 2.184 20 5 BEBDRN Cc1cnc(COc2ncc(C)cc2[N+](=O)[O-])o1 ZINC000176702827 385158159 /nfs/dbraw/zinc/15/81/59/385158159.db2.gz GZVHNPCQCYWCMN-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN Cc1nc(NC(=O)/C=C\C2CC2)ccc1[N+](=O)[O-] ZINC000492131305 385177615 /nfs/dbraw/zinc/17/76/15/385177615.db2.gz KKQHIYJEBYEVGE-DAXSKMNVSA-N 0 0 247.254 2.203 20 5 BEBDRN Cc1ccc(N[C@H]2C=C[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000338285673 385229262 /nfs/dbraw/zinc/22/92/62/385229262.db2.gz UXTZWZUAWJELQA-MNOVXSKESA-N 0 0 248.282 2.252 20 5 BEBDRN CC[C@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000287768260 385232467 /nfs/dbraw/zinc/23/24/67/385232467.db2.gz HTHZVWBTRLYPFO-VIFPVBQESA-N 0 0 235.287 2.413 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(NCCCCO)c(F)c1 ZINC000225828458 385239648 /nfs/dbraw/zinc/23/96/48/385239648.db2.gz MLVJVXACIQGSBB-UHFFFAOYSA-N 0 0 246.213 2.057 20 5 BEBDRN CCc1ccc(Cn2c(C)ncc2[N+](=O)[O-])nc1 ZINC000338544953 385252431 /nfs/dbraw/zinc/25/24/31/385252431.db2.gz BCXDCOXEJXEQBI-UHFFFAOYSA-N 0 0 246.270 2.105 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCCCCCO ZINC000207031944 385283925 /nfs/dbraw/zinc/28/39/25/385283925.db2.gz PVHBCMVIBBYAQO-UHFFFAOYSA-N 0 0 224.260 2.169 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC1 ZINC000085620728 385284644 /nfs/dbraw/zinc/28/46/44/385284644.db2.gz XEVHZAPWTBLONX-UHFFFAOYSA-N 0 0 249.270 2.496 20 5 BEBDRN C[C@H](NC(=O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000452184542 385410288 /nfs/dbraw/zinc/41/02/88/385410288.db2.gz UBCWGBCRAFFBET-QMMMGPOBSA-N 0 0 234.255 2.182 20 5 BEBDRN CC[C@@H](CNc1ncc([N+](=O)[O-])cc1C)OC ZINC000290609818 385499669 /nfs/dbraw/zinc/49/96/69/385499669.db2.gz FOWSWCNXGKEPNU-JTQLQIEISA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCO[C@H]2C)c1 ZINC000149985711 385536215 /nfs/dbraw/zinc/53/62/15/385536215.db2.gz WTIAKXUAWRKXTG-UWVGGRQHSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC1 ZINC000264584751 385619728 /nfs/dbraw/zinc/61/97/28/385619728.db2.gz ZZKZBMYHPSFSEE-UHFFFAOYSA-N 0 0 234.255 2.186 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072673045 385628029 /nfs/dbraw/zinc/62/80/29/385628029.db2.gz PIULLECMZDLMDE-GZMMTYOYSA-N 0 0 234.255 2.214 20 5 BEBDRN O=[N+]([O-])c1cccc(CCNc2ncccn2)c1 ZINC000340078570 385643619 /nfs/dbraw/zinc/64/36/19/385643619.db2.gz JAVLFRLKJRFYFI-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN O=C(NCC1=CCCCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000452706105 385648814 /nfs/dbraw/zinc/64/88/14/385648814.db2.gz XGRGMTDPNUCXKP-UHFFFAOYSA-N 0 0 249.270 2.153 20 5 BEBDRN C[C@H](NCc1ccon1)c1cccc([N+](=O)[O-])c1 ZINC000129038415 385708180 /nfs/dbraw/zinc/70/81/80/385708180.db2.gz UMSUGHGPIVIEDS-VIFPVBQESA-N 0 0 247.254 2.434 20 5 BEBDRN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CS1 ZINC000397831765 385716126 /nfs/dbraw/zinc/71/61/26/385716126.db2.gz CZJOAXPBSIQBCQ-YUMQZZPRSA-N 0 0 239.300 2.296 20 5 BEBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CCC1 ZINC000264937194 385728877 /nfs/dbraw/zinc/72/88/77/385728877.db2.gz QYKLNQGONRRYGY-UHFFFAOYSA-N 0 0 229.239 2.353 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1NC[C@H]1CCCO1 ZINC000128539534 385754488 /nfs/dbraw/zinc/75/44/88/385754488.db2.gz BPNREAKFYPRCIB-MRVPVSSYSA-N 0 0 240.234 2.325 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCc2ccco2)cn1 ZINC000051449014 385768124 /nfs/dbraw/zinc/76/81/24/385768124.db2.gz OFEJKHOIQPZINB-UHFFFAOYSA-N 0 0 233.227 2.237 20 5 BEBDRN Cc1c(NC(=O)C(C)(F)F)cccc1[N+](=O)[O-] ZINC000292758445 385722918 /nfs/dbraw/zinc/72/29/18/385722918.db2.gz SBGILUCYRBDQBM-UHFFFAOYSA-N 0 0 244.197 2.497 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCCC[C@H](C)O)c1 ZINC000227997598 385807368 /nfs/dbraw/zinc/80/73/68/385807368.db2.gz KVORGJQBQRGTPE-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN C[C@@H](O)CCCNc1ccc([N+](=O)[O-])cc1F ZINC000227999836 385807580 /nfs/dbraw/zinc/80/75/80/385807580.db2.gz HIPYQDQZENHMDO-MRVPVSSYSA-N 0 0 242.250 2.307 20 5 BEBDRN Cc1ccnc(N[C@@H](C)c2ccon2)c1[N+](=O)[O-] ZINC000341914171 385841567 /nfs/dbraw/zinc/84/15/67/385841567.db2.gz CUAGGMASIZBTPG-QMMMGPOBSA-N 0 0 248.242 2.459 20 5 BEBDRN O=[N+]([O-])c1ccccc1/C=C/CNCC(F)F ZINC000291516288 385885334 /nfs/dbraw/zinc/88/53/34/385885334.db2.gz YIEUBWASTNKBCT-HWKANZROSA-N 0 0 242.225 2.463 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@]2(C)CCOC2)c1 ZINC000159999162 385876517 /nfs/dbraw/zinc/87/65/17/385876517.db2.gz HFTGUBICVBEQKB-GFCCVEGCSA-N 0 0 236.271 2.494 20 5 BEBDRN O=[N+]([O-])c1ncn(CC2CCCCCC2)n1 ZINC000183875174 386046160 /nfs/dbraw/zinc/04/61/60/386046160.db2.gz KGNXZLPYVAICDC-UHFFFAOYSA-N 0 0 224.264 2.157 20 5 BEBDRN O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1CC1(F)F ZINC000294299719 386079900 /nfs/dbraw/zinc/07/99/00/386079900.db2.gz GJLBJMJAHGCODR-MRVPVSSYSA-N 0 0 243.165 2.155 20 5 BEBDRN O=[N+]([O-])c1cc(NCCCCCO)ccc1F ZINC000267178950 386184216 /nfs/dbraw/zinc/18/42/16/386184216.db2.gz DWTFEROIIRKHGT-UHFFFAOYSA-N 0 0 242.250 2.308 20 5 BEBDRN CN(C[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000267247332 386218778 /nfs/dbraw/zinc/21/87/78/386218778.db2.gz TUNUADZSDWDHIY-GFCCVEGCSA-N 0 0 236.271 2.210 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC1(CO)CCCC1 ZINC000053070886 386286916 /nfs/dbraw/zinc/28/69/16/386286916.db2.gz HAAAVTMDVDTGBU-UHFFFAOYSA-N 0 0 236.271 2.312 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC([C@H]3CCOC3)C2)cc1 ZINC000366497115 386443501 /nfs/dbraw/zinc/44/35/01/386443501.db2.gz YSZIDGHSFGAELF-JTQLQIEISA-N 0 0 248.282 2.068 20 5 BEBDRN Cc1cc(C(=O)N2C[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000294146535 386432524 /nfs/dbraw/zinc/43/25/24/386432524.db2.gz ONDUBVVIMVDERE-ZJUUUORDSA-N 0 0 248.282 2.384 20 5 BEBDRN CCN(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229552055 386550284 /nfs/dbraw/zinc/55/02/84/386550284.db2.gz AJKGAIIDUYZIOE-UHFFFAOYSA-N 0 0 241.222 2.218 20 5 BEBDRN CS[C@H](C)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000128833970 386697672 /nfs/dbraw/zinc/69/76/72/386697672.db2.gz IMBOIKMTIICOOC-SSDOTTSWSA-N 0 0 241.316 2.462 20 5 BEBDRN Cc1noc(NCc2ccc([N+](=O)[O-])cc2C)n1 ZINC000185851902 386704697 /nfs/dbraw/zinc/70/46/97/386704697.db2.gz HTJIKUSEXWERND-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1ccnc(NCCOC(C)C)c1[N+](=O)[O-] ZINC000168650561 387031463 /nfs/dbraw/zinc/03/14/63/387031463.db2.gz HLZNUGQDXRMLAO-UHFFFAOYSA-N 0 0 239.275 2.135 20 5 BEBDRN CO[C@H](C)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000224326420 387125643 /nfs/dbraw/zinc/12/56/43/387125643.db2.gz ILPPRROBGPEJCD-ZCFIWIBFSA-N 0 0 245.666 2.090 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCC[C@@H]1CCOC1 ZINC000230103752 387252953 /nfs/dbraw/zinc/25/29/53/387252953.db2.gz OTMXGZFLPSLBFX-SNVBAGLBSA-N 0 0 236.271 2.433 20 5 BEBDRN O=[N+]([O-])c1cnc(Nc2ccc(F)cc2)nc1 ZINC000302174332 387273202 /nfs/dbraw/zinc/27/32/02/387273202.db2.gz WGWMGULANNANHD-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN CO[C@H](C)COc1ccc([N+](=O)[O-])c(F)c1F ZINC000296077056 387348280 /nfs/dbraw/zinc/34/82/80/387348280.db2.gz VSBHMGRPUVEPQF-ZCFIWIBFSA-N 0 0 247.197 2.287 20 5 BEBDRN O=[N+]([O-])c1ccc(SC2CCOCC2)nc1 ZINC000270163968 387535383 /nfs/dbraw/zinc/53/53/83/387535383.db2.gz KCMANKNKJJNLFS-UHFFFAOYSA-N 0 0 240.284 2.261 20 5 BEBDRN CC/C=C/CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000295905747 387490882 /nfs/dbraw/zinc/49/08/82/387490882.db2.gz HDOYAHWHPNHQKJ-ZZXKWVIFSA-N 0 0 234.255 2.291 20 5 BEBDRN C[C@@H](C1CCC1)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000354573603 387591882 /nfs/dbraw/zinc/59/18/82/387591882.db2.gz SASPAHKJMTZPCP-QMMMGPOBSA-N 0 0 236.275 2.010 20 5 BEBDRN C[C@H](NC(=O)N1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296886117 387558428 /nfs/dbraw/zinc/55/84/28/387558428.db2.gz QVOAPWAMYJKDFB-VIFPVBQESA-N 0 0 249.270 2.071 20 5 BEBDRN CCC[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000297278718 387578637 /nfs/dbraw/zinc/57/86/37/387578637.db2.gz XGZKCJYOENLLGD-RKDXNWHRSA-N 0 0 236.275 2.294 20 5 BEBDRN C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])[C@H]1C ZINC000267575972 387636929 /nfs/dbraw/zinc/63/69/29/387636929.db2.gz AWBFSXOLKBUJAP-BDAKNGLRSA-N 0 0 221.260 2.225 20 5 BEBDRN Cc1ccnc(N2C[C@H](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000267728376 387744525 /nfs/dbraw/zinc/74/45/25/387744525.db2.gz VPBDYMHJTNTLEE-UWVGGRQHSA-N 0 0 235.287 2.390 20 5 BEBDRN CC[C@H](O)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000296360246 387949755 /nfs/dbraw/zinc/94/97/55/387949755.db2.gz VGAIHHGBWGNCOK-ZETCQYMHSA-N 0 0 245.662 2.398 20 5 BEBDRN C[C@@H]1C[C@H](Nc2sccc2[N+](=O)[O-])CO1 ZINC000591994345 388145042 /nfs/dbraw/zinc/14/50/42/388145042.db2.gz KIXFOLVPCFBIJN-RQJHMYQMSA-N 0 0 228.273 2.246 20 5 BEBDRN C[C@@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])CO1 ZINC000591994344 388145045 /nfs/dbraw/zinc/14/50/45/388145045.db2.gz KIXFOLVPCFBIJN-RNFRBKRXSA-N 0 0 228.273 2.246 20 5 BEBDRN C[C@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])CO1 ZINC000591994343 388145123 /nfs/dbraw/zinc/14/51/23/388145123.db2.gz KIXFOLVPCFBIJN-NKWVEPMBSA-N 0 0 228.273 2.246 20 5 BEBDRN CCN(c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000518853182 256637491 /nfs/dbraw/zinc/63/74/91/256637491.db2.gz LFSCLGSBXWWLAK-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN Cc1ccc(N(C)CCCCO)c([N+](=O)[O-])c1 ZINC000302782130 388344941 /nfs/dbraw/zinc/34/49/41/388344941.db2.gz SIMPDDOBYIFOLI-UHFFFAOYSA-N 0 0 238.287 2.112 20 5 BEBDRN C[C@H]1CCC[C@@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596113374 388404434 /nfs/dbraw/zinc/40/44/34/388404434.db2.gz ATGWKHIYTQCYBP-YUMQZZPRSA-N 0 0 237.259 2.296 20 5 BEBDRN CCCN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491306987 388349687 /nfs/dbraw/zinc/34/96/87/388349687.db2.gz UXZRXFCPNSMPHR-TWGQIWQCSA-N 0 0 248.282 2.476 20 5 BEBDRN O=C(/C=C\C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000491943915 388352321 /nfs/dbraw/zinc/35/23/21/388352321.db2.gz YPMWBFLCGZLCQQ-BAQGIRSFSA-N 0 0 232.239 2.500 20 5 BEBDRN Cc1cc(C(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000057464971 388360490 /nfs/dbraw/zinc/36/04/90/388360490.db2.gz KEAUDUMZZRVGHO-UHFFFAOYSA-N 0 0 223.228 2.468 20 5 BEBDRN O=C(CC1CC1)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000132601149 388363528 /nfs/dbraw/zinc/36/35/28/388363528.db2.gz XGYOUYIQMYRGHD-UHFFFAOYSA-N 0 0 239.202 2.439 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(OCCC2(O)CC2)c1 ZINC000442857197 388366891 /nfs/dbraw/zinc/36/68/91/388366891.db2.gz SFGTYARQUFYHES-UHFFFAOYSA-N 0 0 241.218 2.028 20 5 BEBDRN Cc1cccc(OCCC2(O)CC2)c1[N+](=O)[O-] ZINC000442846837 388367227 /nfs/dbraw/zinc/36/72/27/388367227.db2.gz BHVITOLQPCXEMB-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN CCCn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594907652 388372538 /nfs/dbraw/zinc/37/25/38/388372538.db2.gz ZHNZPQDLCYOOBF-UHFFFAOYSA-N 0 0 232.243 2.263 20 5 BEBDRN C[C@H](O)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227890302 388372881 /nfs/dbraw/zinc/37/28/81/388372881.db2.gz CNHBSQXRCCWNTB-LURJTMIESA-N 0 0 246.213 2.056 20 5 BEBDRN C[C@@H](O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000227998790 388376178 /nfs/dbraw/zinc/37/61/78/388376178.db2.gz HOKXQQACWVCMLI-SECBINFHSA-N 0 0 224.260 2.168 20 5 BEBDRN O=C(CC1CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000604471023 388377104 /nfs/dbraw/zinc/37/71/04/388377104.db2.gz UNXBCYRXSIHBGQ-UHFFFAOYSA-N 0 0 234.255 2.011 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCSC2)cn1 ZINC000228581132 388385926 /nfs/dbraw/zinc/38/59/26/388385926.db2.gz RBNGPNOOOKAEJV-QMMMGPOBSA-N 0 0 239.300 2.155 20 5 BEBDRN CO[C@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000229376795 388390947 /nfs/dbraw/zinc/39/09/47/388390947.db2.gz YPAVBSAEWYGHNH-DTWKUNHWSA-N 0 0 224.260 2.430 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NCc1cncn1C ZINC000090165893 388393592 /nfs/dbraw/zinc/39/35/92/388393592.db2.gz RINMOSSACXTCQR-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN CCCCNc1ncnc(Cl)c1[N+](=O)[O-] ZINC000004243326 388396285 /nfs/dbraw/zinc/39/62/85/388396285.db2.gz SLMDKWYHHCRFSE-UHFFFAOYSA-N 0 0 230.655 2.250 20 5 BEBDRN C[C@@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000134384644 388398681 /nfs/dbraw/zinc/39/86/81/388398681.db2.gz YXICDWZYKZTFQT-GZMMTYOYSA-N 0 0 222.244 2.184 20 5 BEBDRN Cc1c(C(=O)N[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000171068387 388400802 /nfs/dbraw/zinc/40/08/02/388400802.db2.gz IJMNBSFXDRZHMO-GMSGAONNSA-N 0 0 234.255 2.041 20 5 BEBDRN CC[C@H](CCO)CNc1ccc([N+](=O)[O-])cc1 ZINC000094957306 388442796 /nfs/dbraw/zinc/44/27/96/388442796.db2.gz ORHDRTHVFGJQKZ-SNVBAGLBSA-N 0 0 238.287 2.415 20 5 BEBDRN O=[N+]([O-])c1ccnn1Cc1ccc2c(c1)CCC2 ZINC000172129584 388408157 /nfs/dbraw/zinc/40/81/57/388408157.db2.gz QDWRFOYJIAXXCY-UHFFFAOYSA-N 0 0 243.266 2.328 20 5 BEBDRN C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000172695580 388410251 /nfs/dbraw/zinc/41/02/51/388410251.db2.gz WSLFCKSDCNDQSL-SECBINFHSA-N 0 0 248.282 2.052 20 5 BEBDRN CSCCNc1ccc([N+](=O)[O-])cc1 ZINC000034334634 388413038 /nfs/dbraw/zinc/41/30/38/388413038.db2.gz LLPICLYEWBPLSL-UHFFFAOYSA-N 0 0 212.274 2.370 20 5 BEBDRN O=[N+]([O-])c1ccc(Oc2ccc(F)nc2)nc1 ZINC000161248927 388509792 /nfs/dbraw/zinc/50/97/92/388509792.db2.gz VXUZZMDDMQTOHC-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN CCCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669544 388521689 /nfs/dbraw/zinc/52/16/89/388521689.db2.gz JAYXBROBNDLOBW-UHFFFAOYSA-N 0 0 240.234 2.264 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(Sc2ncco2)n1 ZINC000444867353 388589920 /nfs/dbraw/zinc/58/99/20/388589920.db2.gz DOLSRPVUNRRZHR-UHFFFAOYSA-N 0 0 237.240 2.437 20 5 BEBDRN COC[C@@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000301558877 388595934 /nfs/dbraw/zinc/59/59/34/388595934.db2.gz TWLKSXSWXJUIGL-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN Cc1ccc(OCc2ccnn2C)c([N+](=O)[O-])c1 ZINC000161280703 388605447 /nfs/dbraw/zinc/60/54/47/388605447.db2.gz HWDYRBQDFBYRPO-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@]3(CCOC3)C2)cc1 ZINC000301614746 388613986 /nfs/dbraw/zinc/61/39/86/388613986.db2.gz UQXIETSEFAWVMD-ZDUSSCGKSA-N 0 0 248.282 2.212 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2CN(CC3CC3)C2)cc1 ZINC000297423193 388552383 /nfs/dbraw/zinc/55/23/83/388552383.db2.gz NRTAUZOWICLQCK-UHFFFAOYSA-N 0 0 248.282 2.068 20 5 BEBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C ZINC000517519065 256827439 /nfs/dbraw/zinc/82/74/39/256827439.db2.gz QRSQNMYHONHWFW-IUCAKERBSA-N 0 0 221.260 2.082 20 5 BEBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H]1C ZINC000517519064 256827729 /nfs/dbraw/zinc/82/77/29/256827729.db2.gz QRSQNMYHONHWFW-DTORHVGOSA-N 0 0 221.260 2.082 20 5 BEBDRN CO[C@@H](CC(C)C)Cn1c(C)ncc1[N+](=O)[O-] ZINC000416917770 388672152 /nfs/dbraw/zinc/67/21/52/388672152.db2.gz RGOZYZODAJASDJ-JTQLQIEISA-N 0 0 241.291 2.161 20 5 BEBDRN Cc1ccnc(N2C3CCC2CC3)c1[N+](=O)[O-] ZINC000522409289 388675132 /nfs/dbraw/zinc/67/51/32/388675132.db2.gz NNNSGOYBXQIWLC-UHFFFAOYSA-N 0 0 233.271 2.429 20 5 BEBDRN O=C(CC1CC1)NCCc1cccc([N+](=O)[O-])c1 ZINC000126055350 388686795 /nfs/dbraw/zinc/68/67/95/388686795.db2.gz CGZQKIXJKDYLPF-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000078339521 388680927 /nfs/dbraw/zinc/68/09/27/388680927.db2.gz JXIKEKBKCOHIHX-NSHDSACASA-N 0 0 223.228 2.153 20 5 BEBDRN Cc1ccnc(S[C@H](C)[C@H](C)O)c1[N+](=O)[O-] ZINC000078582427 388682650 /nfs/dbraw/zinc/68/26/50/388682650.db2.gz XPOHNMSBDBUOBI-JGVFFNPUSA-N 0 0 242.300 2.160 20 5 BEBDRN C[C@H](C1CC1)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000554162116 388620859 /nfs/dbraw/zinc/62/08/59/388620859.db2.gz DRXRYUOJVFQZNA-MRVPVSSYSA-N 0 0 221.260 2.225 20 5 BEBDRN C[C@H](O)CSc1cccc([N+](=O)[O-])c1 ZINC000313459992 388684327 /nfs/dbraw/zinc/68/43/27/388684327.db2.gz MGOIBNZZJSYGGR-ZETCQYMHSA-N 0 0 213.258 2.068 20 5 BEBDRN O=[N+]([O-])c1cccc(SCCCCO)c1 ZINC000313464235 388684456 /nfs/dbraw/zinc/68/44/56/388684456.db2.gz UPDPZXJLSWIOBZ-UHFFFAOYSA-N 0 0 227.285 2.459 20 5 BEBDRN CC(C)=CCSc1ncc([N+](=O)[O-])cn1 ZINC000447692114 388737573 /nfs/dbraw/zinc/73/75/73/388737573.db2.gz YUDHBBRQMHJOHG-UHFFFAOYSA-N 0 0 225.273 2.443 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC1CC(F)(F)C1 ZINC000276952223 388743904 /nfs/dbraw/zinc/74/39/04/388743904.db2.gz BUPRQWNWLGLFTO-UHFFFAOYSA-N 0 0 229.186 2.199 20 5 BEBDRN C[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000277037745 388744813 /nfs/dbraw/zinc/74/48/13/388744813.db2.gz FPJLSBJLPVYZSO-RQJHMYQMSA-N 0 0 239.250 2.384 20 5 BEBDRN C[C@@H](CO)SCCc1ccc([N+](=O)[O-])cc1 ZINC000079086263 388691313 /nfs/dbraw/zinc/69/13/13/388691313.db2.gz MNNITNFRXHWQJP-VIFPVBQESA-N 0 0 241.312 2.251 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC(CC(F)F)C2)nc1 ZINC000425290373 388703255 /nfs/dbraw/zinc/70/32/55/388703255.db2.gz WXUWCNVWNCNPNH-UHFFFAOYSA-N 0 0 243.213 2.081 20 5 BEBDRN O=C(COc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000068043355 388708015 /nfs/dbraw/zinc/70/80/15/388708015.db2.gz BPTDBERVMMYQKK-UHFFFAOYSA-N 0 0 239.202 2.092 20 5 BEBDRN CCC[C@@H](O)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000080638469 388712275 /nfs/dbraw/zinc/71/22/75/388712275.db2.gz SMLAOOYDUYGKAA-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN CCC[C@H](O)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000080638467 388712492 /nfs/dbraw/zinc/71/24/92/388712492.db2.gz SMLAOOYDUYGKAA-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1ccc(N[C@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000080647036 388712704 /nfs/dbraw/zinc/71/27/04/388712704.db2.gz YUTWYATUHKDGSJ-VHSXEESVSA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1ccc(N[C@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000080789704 388713082 /nfs/dbraw/zinc/71/30/82/388713082.db2.gz RFPCNSNZQDIIMN-LLVKDONJSA-N 0 0 238.287 2.332 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N1[C@@H](C)C[C@@H]1C ZINC000530431591 388713148 /nfs/dbraw/zinc/71/31/48/388713148.db2.gz DXSDHKAGHBKHDD-YUMQZZPRSA-N 0 0 238.291 2.107 20 5 BEBDRN CC(C)[C@@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000080789716 388713721 /nfs/dbraw/zinc/71/37/21/388713721.db2.gz FLMNTRRQQNJOJE-SNVBAGLBSA-N 0 0 224.260 2.024 20 5 BEBDRN Cc1cc(N2[C@H](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000530429723 388713807 /nfs/dbraw/zinc/71/38/07/388713807.db2.gz MBLFEFGLRLBBOR-DTORHVGOSA-N 0 0 221.260 2.285 20 5 BEBDRN CC(C)CCCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000428053670 388720066 /nfs/dbraw/zinc/72/00/66/388720066.db2.gz KWFDDRPVZRTEGZ-UHFFFAOYSA-N 0 0 224.260 2.193 20 5 BEBDRN O=[N+]([O-])c1cnc(N2C[C@H]3CCCC[C@H]32)s1 ZINC000377351136 388723965 /nfs/dbraw/zinc/72/39/65/388723965.db2.gz VLSAUFHAPFBLNU-HTQZYQBOSA-N 0 0 239.300 2.430 20 5 BEBDRN CC[C@H](O)COc1cc([N+](=O)[O-])ccc1Cl ZINC000069635316 388724507 /nfs/dbraw/zinc/72/45/07/388724507.db2.gz FBKFLLABHZFHMM-QMMMGPOBSA-N 0 0 245.662 2.398 20 5 BEBDRN Cc1c(Cn2ccnc2)cccc1[N+](=O)[O-] ZINC000070164319 388729008 /nfs/dbraw/zinc/72/90/08/388729008.db2.gz TZOXQAKMHFLBSJ-UHFFFAOYSA-N 0 0 217.228 2.148 20 5 BEBDRN CN(CCCO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000281783423 388808911 /nfs/dbraw/zinc/80/89/11/388808911.db2.gz TYCXLMLFUVIKJR-UHFFFAOYSA-N 0 0 244.678 2.067 20 5 BEBDRN CC(C)C[C@H](C)Cn1cnc([N+](=O)[O-])c1 ZINC000280896799 388788375 /nfs/dbraw/zinc/78/83/75/388788375.db2.gz DKDDINJTEOFOSH-VIFPVBQESA-N 0 0 211.265 2.474 20 5 BEBDRN CN(CC1CCC1)c1ncccc1[N+](=O)[O-] ZINC000301252636 388790028 /nfs/dbraw/zinc/79/00/28/388790028.db2.gz MXKHGMKCZZDGCQ-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN Cc1c(C(=O)N2CC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000299732018 388844271 /nfs/dbraw/zinc/84/42/71/388844271.db2.gz ZHKKKNUCZKKMSL-SECBINFHSA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1cc(C(=O)N2CC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000299723593 388844286 /nfs/dbraw/zinc/84/42/86/388844286.db2.gz OMHZROXBVJGGTD-SECBINFHSA-N 0 0 248.282 2.385 20 5 BEBDRN Nc1ccc(N2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000283726212 388824816 /nfs/dbraw/zinc/82/48/16/388824816.db2.gz GZZYSJILYOQIGK-UWVGGRQHSA-N 0 0 247.298 2.413 20 5 BEBDRN Cc1cc(=O)n(CCCCCF)cc1[N+](=O)[O-] ZINC000283775016 388824829 /nfs/dbraw/zinc/82/48/29/388824829.db2.gz CNVCJRJRWDHTBY-UHFFFAOYSA-N 0 0 242.250 2.205 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC3(CCC3)C2)nc1 ZINC000131293213 388848355 /nfs/dbraw/zinc/84/83/55/388848355.db2.gz HWXXDTRPFBQQNF-UHFFFAOYSA-N 0 0 233.271 2.370 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(N2CCCCO2)c(F)c1 ZINC000276060227 132206216 /nfs/dbraw/zinc/20/62/16/132206216.db2.gz QRTHYIRGJTUSNI-UHFFFAOYSA-N 0 0 244.197 2.405 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CCC(C)C ZINC000071526669 177635635 /nfs/dbraw/zinc/63/56/35/177635635.db2.gz CDKKQCFKSARSQO-UHFFFAOYSA-N 0 0 224.260 2.111 20 5 BEBDRN CCN(C)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000182620680 169664147 /nfs/dbraw/zinc/66/41/47/169664147.db2.gz BPLDCDNFZNKNHI-MDZDMXLPSA-N 0 0 248.282 2.476 20 5 BEBDRN CC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000227014405 171142057 /nfs/dbraw/zinc/14/20/57/171142057.db2.gz NORPYRYYLBDJRY-VXNVDRBHSA-N 0 0 207.233 2.200 20 5 BEBDRN CCC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000050181568 168209672 /nfs/dbraw/zinc/20/96/72/168209672.db2.gz CIKSWOGQHKAMGG-UHFFFAOYSA-N 0 0 223.228 2.261 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CC=C(C)CC1 ZINC000270259065 132196021 /nfs/dbraw/zinc/19/60/21/132196021.db2.gz ZHVPQLKMXYZIMB-UHFFFAOYSA-N 0 0 233.271 2.455 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCCCO2)c(F)c1 ZINC000275962306 132205541 /nfs/dbraw/zinc/20/55/41/132205541.db2.gz ABQNUVSTBALTAY-UHFFFAOYSA-N 0 0 226.207 2.266 20 5 BEBDRN Cc1cc(N2CCCCO2)ccc1[N+](=O)[O-] ZINC000275988649 132205576 /nfs/dbraw/zinc/20/55/76/132205576.db2.gz DSLYZKVUDQLXAB-UHFFFAOYSA-N 0 0 222.244 2.435 20 5 BEBDRN Cc1cc(N2CCOC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278031173 132207871 /nfs/dbraw/zinc/20/78/71/132207871.db2.gz PSBRJMDNGMQEBB-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1nc(N2CCC(C)=C(C)C2)ncc1[N+](=O)[O-] ZINC000296835793 132221480 /nfs/dbraw/zinc/22/14/80/132221480.db2.gz SJHJDDSDDBLBNJ-UHFFFAOYSA-N 0 0 248.286 2.240 20 5 BEBDRN CC[C@H]1COCCN1c1ccccc1[N+](=O)[O-] ZINC000301312510 132253217 /nfs/dbraw/zinc/25/32/17/132253217.db2.gz IVVRYCXGDKYIRB-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC(C3CC3)CC2)nc1 ZINC000368013064 132282745 /nfs/dbraw/zinc/28/27/45/132282745.db2.gz AZDGXYUKVYNKIO-UHFFFAOYSA-N 0 0 248.286 2.011 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCCCN2)c1 ZINC000295633196 132308073 /nfs/dbraw/zinc/30/80/73/132308073.db2.gz CHNBEYWRCSECHR-UHFFFAOYSA-N 0 0 221.260 2.008 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CCOC[C@@H]1C1CC1 ZINC000159689001 132444458 /nfs/dbraw/zinc/44/44/58/132444458.db2.gz MMRXEWKHWKVVDE-CYBMUJFWSA-N 0 0 248.282 2.210 20 5 BEBDRN O=C(C1CC1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000162010768 132445129 /nfs/dbraw/zinc/44/51/29/132445129.db2.gz FMOSSZRENDRWFX-UHFFFAOYSA-N 0 0 246.266 2.284 20 5 BEBDRN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000335087776 133760478 /nfs/dbraw/zinc/76/04/78/133760478.db2.gz VTWFBBCRRHDNHB-ILWJIGKKSA-N 0 0 246.266 2.123 20 5 BEBDRN CSCCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000349854260 133919914 /nfs/dbraw/zinc/91/99/14/133919914.db2.gz MYXWYZVNCFHQNJ-UHFFFAOYSA-N 0 0 248.691 2.385 20 5 BEBDRN Cc1ccc(C(=O)N[C@@H]2CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000335946709 134020474 /nfs/dbraw/zinc/02/04/74/134020474.db2.gz GZBVGMHTQDFBBM-GZMMTYOYSA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])c1ccccc1OCc1cnns1 ZINC000352159937 134090032 /nfs/dbraw/zinc/09/00/32/134090032.db2.gz DVJIHCUWQLFOKO-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN Cc1nn(CC2CC(F)(F)C2)c(C)c1[N+](=O)[O-] ZINC000336190656 134123238 /nfs/dbraw/zinc/12/32/38/134123238.db2.gz LPZPBUNUHYANKA-UHFFFAOYSA-N 0 0 245.229 2.453 20 5 BEBDRN Cc1cccc(N[C@@H](C)C[C@H](C)O)c1[N+](=O)[O-] ZINC000218881952 134265494 /nfs/dbraw/zinc/26/54/94/134265494.db2.gz JJRSKEWSYJZCRL-UWVGGRQHSA-N 0 0 238.287 2.475 20 5 BEBDRN O=C(CCn1nccc1[N+](=O)[O-])c1ccccc1 ZINC000172918848 134270804 /nfs/dbraw/zinc/27/08/04/134270804.db2.gz HMWUVPKTEFYVEX-UHFFFAOYSA-N 0 0 245.238 2.064 20 5 BEBDRN CO[C@H](C)COc1cccc(C)c1[N+](=O)[O-] ZINC000181040055 134333140 /nfs/dbraw/zinc/33/31/40/134333140.db2.gz SPEDHFSAZNSNBS-SECBINFHSA-N 0 0 225.244 2.317 20 5 BEBDRN O=[N+]([O-])c1ccccc1OCCOCC1CC1 ZINC000181482482 134337110 /nfs/dbraw/zinc/33/71/10/134337110.db2.gz ASYYGUVIDHDBNJ-UHFFFAOYSA-N 0 0 237.255 2.400 20 5 BEBDRN CCC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000185459108 134380488 /nfs/dbraw/zinc/38/04/88/134380488.db2.gz TVMHSKWPDSXDKA-UHFFFAOYSA-N 0 0 245.238 2.492 20 5 BEBDRN Cc1cc(N2CCC[C@@H](F)C2)ncc1[N+](=O)[O-] ZINC000408107219 134393321 /nfs/dbraw/zinc/39/33/21/134393321.db2.gz MZVVBFAKMOKCNI-SECBINFHSA-N 0 0 239.250 2.237 20 5 BEBDRN CC(C)=CCNc1ccc([N+](=O)[O-])nc1 ZINC000232642132 134553242 /nfs/dbraw/zinc/55/32/42/134553242.db2.gz IAKRHZBXKNOYNU-UHFFFAOYSA-N 0 0 207.233 2.368 20 5 BEBDRN O=[N+]([O-])c1cn(CC2CCCCC2)cn1 ZINC000073921141 134941168 /nfs/dbraw/zinc/94/11/68/134941168.db2.gz QFZRUEQMMVZSKK-UHFFFAOYSA-N 0 0 209.249 2.372 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCOC2)c1 ZINC000087787875 135171315 /nfs/dbraw/zinc/17/13/15/135171315.db2.gz WKLMBGGWLFJYHF-VIFPVBQESA-N 0 0 222.244 2.104 20 5 BEBDRN C[C@@H](CO)Sc1ncc([N+](=O)[O-])cc1Cl ZINC000078676251 135395255 /nfs/dbraw/zinc/39/52/55/135395255.db2.gz BVBRHQCUZBISQC-YFKPBYRVSA-N 0 0 248.691 2.116 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC[C@@H]1CCCS1 ZINC000087475292 135507657 /nfs/dbraw/zinc/50/76/57/135507657.db2.gz KAECTDUTTWZEGV-QMMMGPOBSA-N 0 0 239.300 2.297 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]2C(F)F)n1 ZINC000343863482 135705622 /nfs/dbraw/zinc/70/56/22/135705622.db2.gz PJPLNSDUMNWLML-RNFRBKRXSA-N 0 0 243.213 2.364 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2C[C@H]2C(F)F)nc1 ZINC000348217188 136046706 /nfs/dbraw/zinc/04/67/06/136046706.db2.gz JDWQOGWINTZMHF-RQJHMYQMSA-N 0 0 229.186 2.055 20 5 BEBDRN Cc1cc(C(=O)N[C@H]2CC23CC3)ccc1[N+](=O)[O-] ZINC000335366219 136081677 /nfs/dbraw/zinc/08/16/77/136081677.db2.gz WKPOHENYHKQBHH-NSHDSACASA-N 0 0 246.266 2.186 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC2(C)C)c1 ZINC000335550070 136097537 /nfs/dbraw/zinc/09/75/37/136097537.db2.gz GXTOGVNHGFGNGO-NSHDSACASA-N 0 0 248.282 2.432 20 5 BEBDRN CN(c1ncc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000273168645 397993066 /nfs/dbraw/zinc/99/30/66/397993066.db2.gz LZJPMTOTOOKIET-UHFFFAOYSA-N 0 0 236.275 2.154 20 5 BEBDRN CN(Cc1ccon1)Cc1ccc([N+](=O)[O-])cc1 ZINC000353867219 398003391 /nfs/dbraw/zinc/00/33/91/398003391.db2.gz JHQRTGPAOGHFQS-UHFFFAOYSA-N 0 0 247.254 2.215 20 5 BEBDRN Cc1cc(C(=O)N[C@H]2CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000334217050 398086989 /nfs/dbraw/zinc/08/69/89/398086989.db2.gz CQWZHQIQDMAPDM-SKDRFNHKSA-N 0 0 248.282 2.432 20 5 BEBDRN CC/C=C/CCn1ccc(C)c([N+](=O)[O-])c1=O ZINC000341660731 398055145 /nfs/dbraw/zinc/05/51/45/398055145.db2.gz DJJZUKAFQGPTAH-SNAWJCMRSA-N 0 0 236.271 2.421 20 5 BEBDRN O=[N+]([O-])c1cn(CCCF)nc1C1CC1 ZINC000195041878 398130409 /nfs/dbraw/zinc/13/04/09/398130409.db2.gz LSHICHQTKRVNBE-UHFFFAOYSA-N 0 0 213.212 2.028 20 5 BEBDRN CC(C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000131865146 167086932 /nfs/dbraw/zinc/08/69/32/167086932.db2.gz ONCSMYURFDQNPE-UHFFFAOYSA-N 0 0 242.662 2.386 20 5 BEBDRN Nc1c([N+](=O)[O-])cnn1C/C=C\c1ccccc1 ZINC000255052014 322900065 /nfs/dbraw/zinc/90/00/65/322900065.db2.gz VUWZRGUGOUHUHQ-DAXSKMNVSA-N 0 0 244.254 2.087 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NC/C=C\Cl ZINC001651495427 1172956015 /nfs/dbraw/zinc/95/60/15/1172956015.db2.gz UQRHGHVSTNVADD-IHWYPQMZSA-N 0 0 227.651 2.463 20 5 BEBDRN CC(C)[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298974715 167366511 /nfs/dbraw/zinc/36/65/11/167366511.db2.gz OJXAFHUNGMMBJX-MRVPVSSYSA-N 0 0 239.275 2.039 20 5 BEBDRN CC(C)[C@@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301854638 167386873 /nfs/dbraw/zinc/38/68/73/167386873.db2.gz YMJGWRJPZOVAGM-MRVPVSSYSA-N 0 0 249.274 2.094 20 5 BEBDRN CC(C)[C@@H](C)Sc1c([N+](=O)[O-])ncn1C ZINC000266199866 167388773 /nfs/dbraw/zinc/38/87/73/167388773.db2.gz IWIAAKOBRGEPSW-SSDOTTSWSA-N 0 0 229.305 2.465 20 5 BEBDRN CC1(CNc2c(F)cccc2[N+](=O)[O-])COC1 ZINC000227531159 168046386 /nfs/dbraw/zinc/04/63/86/168046386.db2.gz OPLZQGLTFAJMLI-UHFFFAOYSA-N 0 0 240.234 2.182 20 5 BEBDRN CC1(COc2c(F)cccc2[N+](=O)[O-])COC1 ZINC000361757170 168051762 /nfs/dbraw/zinc/05/17/62/168051762.db2.gz QEUQYFBMHXKLRN-UHFFFAOYSA-N 0 0 241.218 2.149 20 5 BEBDRN CC1=CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000280651226 168097516 /nfs/dbraw/zinc/09/75/16/168097516.db2.gz JWLFZGYTEWRQOK-UHFFFAOYSA-N 0 0 246.266 2.387 20 5 BEBDRN CC1CC(Nc2ncccc2[N+](=O)[O-])C1 ZINC000128895617 168147902 /nfs/dbraw/zinc/14/79/02/168147902.db2.gz JSCVQYRFGNARKF-UHFFFAOYSA-N 0 0 207.233 2.200 20 5 BEBDRN CC1CN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000335960806 168191988 /nfs/dbraw/zinc/19/19/88/168191988.db2.gz ZZIQWCXTPVWLJU-UHFFFAOYSA-N 0 0 210.208 2.190 20 5 BEBDRN CCC(=O)COc1ccc([N+](=O)[O-])cc1F ZINC000050181598 168210137 /nfs/dbraw/zinc/21/01/37/168210137.db2.gz DKKLJODKGWLKLC-UHFFFAOYSA-N 0 0 227.191 2.092 20 5 BEBDRN CCN(CCOC)c1cccc(F)c1[N+](=O)[O-] ZINC000054269553 169867312 /nfs/dbraw/zinc/86/73/12/169867312.db2.gz SGTUTLUTTFBUIK-UHFFFAOYSA-N 0 0 242.250 2.207 20 5 BEBDRN CCN(c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000298739436 169943119 /nfs/dbraw/zinc/94/31/19/169943119.db2.gz PVILNETVQZVIBT-UHFFFAOYSA-N 0 0 209.249 2.225 20 5 BEBDRN CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000190570455 170101301 /nfs/dbraw/zinc/10/13/01/170101301.db2.gz ITCJFJDSRXOYKI-UHFFFAOYSA-N 0 0 236.271 2.468 20 5 BEBDRN CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000341175203 170172111 /nfs/dbraw/zinc/17/21/11/170172111.db2.gz TZJBVFIRVLFFRU-UHFFFAOYSA-N 0 0 238.243 2.122 20 5 BEBDRN CCOC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000346244460 170297455 /nfs/dbraw/zinc/29/74/55/170297455.db2.gz TXOVPCFUWOJWBM-UHFFFAOYSA-N 0 0 246.222 2.320 20 5 BEBDRN CCOCCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000287910501 170422947 /nfs/dbraw/zinc/42/29/47/170422947.db2.gz HUBWEXCKEAWFCQ-UHFFFAOYSA-N 0 0 225.244 2.319 20 5 BEBDRN CC[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000037694792 170936141 /nfs/dbraw/zinc/93/61/41/170936141.db2.gz SRIDCTZRRCUKTD-MRVPVSSYSA-N 0 0 245.662 2.398 20 5 BEBDRN CC[C@@H](COc1c(O)cccc1[N+](=O)[O-])OC ZINC001226333601 974863355 /nfs/dbraw/zinc/86/33/55/974863355.db2.gz MTGLHRVNEVWKTC-QMMMGPOBSA-N 0 0 241.243 2.104 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000281739999 171141061 /nfs/dbraw/zinc/14/10/61/171141061.db2.gz GVQSLKUWDZZJOC-MWLCHTKSSA-N 0 0 248.282 2.432 20 5 BEBDRN CC[C@@](C)(CO)Nc1ccccc1[N+](=O)[O-] ZINC000080882187 171171118 /nfs/dbraw/zinc/17/11/18/171171118.db2.gz RBFPDDJPBVMDLK-NSHDSACASA-N 0 0 224.260 2.168 20 5 BEBDRN CC[C@@](C)(O)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000094659752 171186038 /nfs/dbraw/zinc/18/60/38/171186038.db2.gz LRMXANWFKCUFIP-GFCCVEGCSA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@H](C)CN(C)c1ncccc1[N+](=O)[O-] ZINC000264830044 171276179 /nfs/dbraw/zinc/27/61/79/171276179.db2.gz ZIWIAYUVCRWRFO-VIFPVBQESA-N 0 0 223.276 2.472 20 5 BEBDRN CC[C@H](C)CN(CC)c1ncc([N+](=O)[O-])cn1 ZINC000273619166 171279764 /nfs/dbraw/zinc/27/97/64/171279764.db2.gz ODWNGZXTQOJJNQ-VIFPVBQESA-N 0 0 238.291 2.257 20 5 BEBDRN CC[C@H](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000154123000 171301035 /nfs/dbraw/zinc/30/10/35/171301035.db2.gz ZABPCYKCVFAINU-ZETCQYMHSA-N 0 0 211.265 2.454 20 5 BEBDRN CC[C@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000070249404 171336172 /nfs/dbraw/zinc/33/61/72/171336172.db2.gz OKNARIRTXNAWGN-VIFPVBQESA-N 0 0 236.271 2.432 20 5 BEBDRN CC[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189680150 171350136 /nfs/dbraw/zinc/35/01/36/171350136.db2.gz YGWMIWDIEXLFEA-YFKPBYRVSA-N 0 0 201.251 2.262 20 5 BEBDRN CC[C@H](Nc1ncc([N+](=O)[O-])s1)C(C)(C)O ZINC000292842548 171553025 /nfs/dbraw/zinc/55/30/25/171553025.db2.gz QQHBZIYHJAMTDF-LURJTMIESA-N 0 0 245.304 2.013 20 5 BEBDRN CCc1nc(CNc2cccc([N+](=O)[O-])c2)no1 ZINC000086188177 171989420 /nfs/dbraw/zinc/98/94/20/171989420.db2.gz ZBHNXQXPBYPFOZ-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CCc1noc(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000355543339 172072888 /nfs/dbraw/zinc/07/28/88/172072888.db2.gz FEMWUKJVGVSNPA-UHFFFAOYSA-N 0 0 237.190 2.346 20 5 BEBDRN CCc1noc(NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000292881109 172089432 /nfs/dbraw/zinc/08/94/32/172089432.db2.gz YWYGBOXPMRHUEB-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1Oc1cccnc1 ZINC000288164383 172136941 /nfs/dbraw/zinc/13/69/41/172136941.db2.gz PPESCKORXZZUHV-UHFFFAOYSA-N 0 0 248.242 2.307 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NCCC1CC1 ZINC000091556204 172248192 /nfs/dbraw/zinc/24/81/92/172248192.db2.gz KRKGMWBBSSCHQV-UHFFFAOYSA-N 0 0 238.291 2.332 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NC1CCCC1 ZINC000091557093 172248338 /nfs/dbraw/zinc/24/83/38/172248338.db2.gz LRZYZHCNHNXEKR-UHFFFAOYSA-N 0 0 238.291 2.474 20 5 BEBDRN CN(C(=O)C=C1CCC1)c1ccc([N+](=O)[O-])nc1 ZINC000288711107 172300111 /nfs/dbraw/zinc/30/01/11/172300111.db2.gz FHQVGPBKBKSSCT-UHFFFAOYSA-N 0 0 247.254 2.063 20 5 BEBDRN CN(C(=O)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000298387538 172301730 /nfs/dbraw/zinc/30/17/30/172301730.db2.gz YOLAZBKJOAGHSH-UHFFFAOYSA-N 0 0 234.255 2.358 20 5 BEBDRN CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CC1(C)C ZINC000336365799 172341689 /nfs/dbraw/zinc/34/16/89/172341689.db2.gz JUUSMUVAWVRWEV-MRVPVSSYSA-N 0 0 238.243 2.058 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000298332532 172947448 /nfs/dbraw/zinc/94/74/48/172947448.db2.gz XFGZWLTVRNGUKT-UHFFFAOYSA-N 0 0 237.215 2.102 20 5 BEBDRN CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188887328 173310711 /nfs/dbraw/zinc/31/07/11/173310711.db2.gz RKZHYLXZWVIJIO-UHFFFAOYSA-N 0 0 222.244 2.078 20 5 BEBDRN COC(=O)CSc1ccc(C)cc1[N+](=O)[O-] ZINC000269979775 173618153 /nfs/dbraw/zinc/61/81/53/173618153.db2.gz ZXZPBDWSNRZRIT-UHFFFAOYSA-N 0 0 241.268 2.168 20 5 BEBDRN COCC(C)(C)CNc1ccc([N+](=O)[O-])nc1 ZINC000336722746 174076512 /nfs/dbraw/zinc/07/65/12/174076512.db2.gz TUTBYVKZAZJTLG-UHFFFAOYSA-N 0 0 239.275 2.074 20 5 BEBDRN COCCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000059462203 174221179 /nfs/dbraw/zinc/22/11/79/174221179.db2.gz XOIWOXLBIAJLEE-UHFFFAOYSA-N 0 0 242.250 2.207 20 5 BEBDRN CC[C@H](COC)Oc1c(O)cccc1[N+](=O)[O-] ZINC001226334767 974863822 /nfs/dbraw/zinc/86/38/22/974863822.db2.gz YOVLZKSRAKMFQU-MRVPVSSYSA-N 0 0 241.243 2.104 20 5 BEBDRN COC[C@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359093946 174554009 /nfs/dbraw/zinc/55/40/09/174554009.db2.gz KOUZYMLRCPSDDQ-VIFPVBQESA-N 0 0 239.275 2.053 20 5 BEBDRN CO[C@H](C)COc1cc([N+](=O)[O-])ccc1C ZINC000180966142 174837646 /nfs/dbraw/zinc/83/76/46/174837646.db2.gz WRMCRARFHRMLBQ-SECBINFHSA-N 0 0 225.244 2.317 20 5 BEBDRN CO[C@H](C)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000180934373 174837653 /nfs/dbraw/zinc/83/76/53/174837653.db2.gz KTRYIRXGBUJXEM-SECBINFHSA-N 0 0 225.244 2.317 20 5 BEBDRN CO[C@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000193850899 174893307 /nfs/dbraw/zinc/89/33/07/174893307.db2.gz AQBGPGLBCJQGPZ-RQJHMYQMSA-N 0 0 243.288 2.031 20 5 BEBDRN COc1cc(NC2CC2)c([N+](=O)[O-])cc1F ZINC000268166658 175001271 /nfs/dbraw/zinc/00/12/71/175001271.db2.gz OYDZNGRKWWBBSZ-UHFFFAOYSA-N 0 0 226.207 2.317 20 5 BEBDRN COc1cc(NCCSC)ccc1[N+](=O)[O-] ZINC000069012531 175002611 /nfs/dbraw/zinc/00/26/11/175002611.db2.gz QYTHQQZPPAKQTR-UHFFFAOYSA-N 0 0 242.300 2.378 20 5 BEBDRN COc1cc(NCc2ccon2)ccc1[N+](=O)[O-] ZINC000093297690 175003258 /nfs/dbraw/zinc/00/32/58/175003258.db2.gz GJZLJQDJUIKUHT-UHFFFAOYSA-N 0 0 249.226 2.204 20 5 BEBDRN COc1cc(OC2CC2)ccc1[N+](=O)[O-] ZINC000095730927 175012612 /nfs/dbraw/zinc/01/26/12/175012612.db2.gz MVBZOPSPPONRHS-UHFFFAOYSA-N 0 0 209.201 2.145 20 5 BEBDRN COc1cccc(N2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000337312512 175275140 /nfs/dbraw/zinc/27/51/40/175275140.db2.gz WZUVGZNTMDXGBO-SECBINFHSA-N 0 0 236.271 2.450 20 5 BEBDRN COc1cccc(N2CCCC2)c1[N+](=O)[O-] ZINC000185079879 175275293 /nfs/dbraw/zinc/27/52/93/175275293.db2.gz OUBNILKEDMHHQQ-UHFFFAOYSA-N 0 0 222.244 2.204 20 5 BEBDRN C[C@@H](CO)[C@@H](C)Nc1sccc1[N+](=O)[O-] ZINC000302045526 175761952 /nfs/dbraw/zinc/76/19/52/175761952.db2.gz XZAVIXDNOZDQNN-NKWVEPMBSA-N 0 0 230.289 2.085 20 5 BEBDRN C[C@@H](O)C(C)(C)Nc1ccccc1[N+](=O)[O-] ZINC000160570440 175945074 /nfs/dbraw/zinc/94/50/74/175945074.db2.gz VXYFHDQMIPUWAL-MRVPVSSYSA-N 0 0 224.260 2.166 20 5 BEBDRN C[C@@H]1CC2(CCC2)CN1c1ncc([N+](=O)[O-])cn1 ZINC000373018881 176058050 /nfs/dbraw/zinc/05/80/50/176058050.db2.gz MIPXGSUIRGNEJF-SECBINFHSA-N 0 0 248.286 2.154 20 5 BEBDRN C[C@@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000060249436 176107548 /nfs/dbraw/zinc/10/75/48/176107548.db2.gz UZVSVOANDRIGIK-SSDOTTSWSA-N 0 0 240.284 2.281 20 5 BEBDRN C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000299588634 176156832 /nfs/dbraw/zinc/15/68/32/176156832.db2.gz DSIZSBUQXHQYHH-SNVBAGLBSA-N 0 0 248.282 2.006 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)[C@@H]1C ZINC000267602143 176181838 /nfs/dbraw/zinc/18/18/38/176181838.db2.gz FOJFUEKQMPPZLF-RKDXNWHRSA-N 0 0 221.260 2.225 20 5 BEBDRN C[C@@H]1CC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000336700435 176218195 /nfs/dbraw/zinc/21/81/95/176218195.db2.gz PIJOJDMUTUWXDF-APPZFPTMSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@@H]1CC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000306745404 176237707 /nfs/dbraw/zinc/23/77/07/176237707.db2.gz CXAZSOPUNKEDCC-PHDIDXHHSA-N 0 0 213.262 2.262 20 5 BEBDRN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000267693243 176261836 /nfs/dbraw/zinc/26/18/36/176261836.db2.gz FZQDNXAHKJQDCS-AOOOYVTPSA-N 0 0 248.282 2.323 20 5 BEBDRN C[C@@H]1COCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000277822166 176345931 /nfs/dbraw/zinc/34/59/31/176345931.db2.gz YVIHFFZMRJECRS-NXEZZACHSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@@H]1C[C@H]1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000075959389 176444591 /nfs/dbraw/zinc/44/45/91/176444591.db2.gz RSAXIGGEKHZMBK-GMSGAONNSA-N 0 0 235.243 2.125 20 5 BEBDRN C[C@H](NC(=O)N1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000298992344 176797689 /nfs/dbraw/zinc/79/76/89/176797689.db2.gz RQNAQACVBBANOU-VIFPVBQESA-N 0 0 249.270 2.071 20 5 BEBDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000018207526 176819634 /nfs/dbraw/zinc/81/96/34/176819634.db2.gz DUJYNHMIZNSVRF-QMMMGPOBSA-N 0 0 234.255 2.123 20 5 BEBDRN C[C@H](O)CCCOc1c(F)cccc1[N+](=O)[O-] ZINC000310488203 176956050 /nfs/dbraw/zinc/95/60/50/176956050.db2.gz GNLZDQCOWZWLRE-QMMMGPOBSA-N 0 0 243.234 2.274 20 5 BEBDRN C[C@H](O)CN(C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000228430372 176973836 /nfs/dbraw/zinc/97/38/36/176973836.db2.gz BZMALOAXZNYEBH-ZETCQYMHSA-N 0 0 244.678 2.065 20 5 BEBDRN C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000173154106 177107989 /nfs/dbraw/zinc/10/79/89/177107989.db2.gz QLRAUUHICQNNCQ-ZETCQYMHSA-N 0 0 240.284 2.281 20 5 BEBDRN C[C@H]1CCCN1c1ccc(N)cc1[N+](=O)[O-] ZINC000288382213 177112327 /nfs/dbraw/zinc/11/23/27/177112327.db2.gz LWNJEVZXIGNBDW-QMMMGPOBSA-N 0 0 221.260 2.166 20 5 BEBDRN C[C@H]1CCC[C@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000025571683 177138476 /nfs/dbraw/zinc/13/84/76/177138476.db2.gz BSSOPVFPEOXFNC-IUCAKERBSA-N 0 0 238.291 2.319 20 5 BEBDRN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000299713699 177154012 /nfs/dbraw/zinc/15/40/12/177154012.db2.gz JLQXFNMQQGBGPV-ZETCQYMHSA-N 0 0 240.284 2.138 20 5 BEBDRN C[C@@H]1[C@@H](C)CCN1c1ccc(N)cc1[N+](=O)[O-] ZINC000288236387 177170979 /nfs/dbraw/zinc/17/09/79/177170979.db2.gz FMSUACPWTGVYNB-DTWKUNHWSA-N 0 0 235.287 2.412 20 5 BEBDRN C[C@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])[C@H]1C ZINC000288236391 177171303 /nfs/dbraw/zinc/17/13/03/177171303.db2.gz FMSUACPWTGVYNB-IUCAKERBSA-N 0 0 235.287 2.412 20 5 BEBDRN C[C@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277926141 177172004 /nfs/dbraw/zinc/17/20/04/177172004.db2.gz TVEMLICFNBTBFT-QMMMGPOBSA-N 0 0 246.270 2.317 20 5 BEBDRN C[C@H]1CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000356725251 177206455 /nfs/dbraw/zinc/20/64/55/177206455.db2.gz KTJSABOCHGRAHH-JOYOIKCWSA-N 0 0 248.282 2.052 20 5 BEBDRN C[C@H]1CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000356748035 177206569 /nfs/dbraw/zinc/20/65/69/177206569.db2.gz NHKBBWIBWDAMAU-GXSJLCMTSA-N 0 0 248.282 2.052 20 5 BEBDRN C[C@H]1CC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000336686859 177207760 /nfs/dbraw/zinc/20/77/60/177207760.db2.gz LCLWCMLHVOQMGD-JGVFFNPUSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000267611110 177276932 /nfs/dbraw/zinc/27/69/32/177276932.db2.gz GTRSPNRSXCJTAW-IUCAKERBSA-N 0 0 221.260 2.082 20 5 BEBDRN C[C@H]1COCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000277822170 177294853 /nfs/dbraw/zinc/29/48/53/177294853.db2.gz YVIHFFZMRJECRS-UWVGGRQHSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023243588 177377334 /nfs/dbraw/zinc/37/73/34/177377334.db2.gz KVRZOEULLBLIQR-OIBJUYFYSA-N 0 0 220.228 2.189 20 5 BEBDRN CC[C@@H](Nc1ccc(C)cc1[N+](=O)[O-])[C@@H](C)O ZINC000395350214 262786797 /nfs/dbraw/zinc/78/67/97/262786797.db2.gz HBUMDKLFCCTKFZ-NXEZZACHSA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC12CC2 ZINC000425269958 262815308 /nfs/dbraw/zinc/81/53/08/262815308.db2.gz DXYISOADAUBSOD-SECBINFHSA-N 0 0 219.244 2.263 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3C[C@H]3C2)cn1 ZINC000397698240 262929815 /nfs/dbraw/zinc/92/98/15/262929815.db2.gz GYQTYPHARZBTBE-DIYOJNKTSA-N 0 0 219.244 2.200 20 5 BEBDRN CC[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1C ZINC000087029605 487870948 /nfs/dbraw/zinc/87/09/48/487870948.db2.gz COOBKYJCXRPCQI-LBPRGKRZSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1ccc(Nc2c[nH]cn2)c([N+](=O)[O-])c1 ZINC000559689683 322979239 /nfs/dbraw/zinc/97/92/39/322979239.db2.gz WSNDKWWZHFUBOR-UHFFFAOYSA-N 0 0 218.216 2.370 20 5 BEBDRN COCCn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000570175247 323052132 /nfs/dbraw/zinc/05/21/32/323052132.db2.gz IBZWJCWJPGSHKP-UHFFFAOYSA-N 0 0 247.254 2.105 20 5 BEBDRN C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531633177 323110612 /nfs/dbraw/zinc/11/06/12/323110612.db2.gz FIWZCRUHRFODDR-RKDXNWHRSA-N 0 0 249.270 2.003 20 5 BEBDRN O=[N+]([O-])c1cccc(OC[C@H]2CCCOC2)c1 ZINC000531876111 323118674 /nfs/dbraw/zinc/11/86/74/323118674.db2.gz LMMXOZRHLYGUHQ-JTQLQIEISA-N 0 0 237.255 2.400 20 5 BEBDRN CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152406142 323180995 /nfs/dbraw/zinc/18/09/95/323180995.db2.gz KSSFJDDESRQCHK-UHFFFAOYSA-N 0 0 248.282 2.496 20 5 BEBDRN C[C@@H]1C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000545065528 324029914 /nfs/dbraw/zinc/02/99/14/324029914.db2.gz PBLNMKLFQANYFE-RQJHMYQMSA-N 0 0 248.242 2.107 20 5 BEBDRN C[C@@H]1C[C@H]1c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000545065527 324030188 /nfs/dbraw/zinc/03/01/88/324030188.db2.gz PBLNMKLFQANYFE-RNFRBKRXSA-N 0 0 248.242 2.107 20 5 BEBDRN O=[N+]([O-])c1ccccc1CNCc1ccoc1 ZINC000060942155 324053710 /nfs/dbraw/zinc/05/37/10/324053710.db2.gz AYZJGNBABLNERI-UHFFFAOYSA-N 0 0 232.239 2.478 20 5 BEBDRN Cc1cc(N2[C@@H](C)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000530429724 324595644 /nfs/dbraw/zinc/59/56/44/324595644.db2.gz MBLFEFGLRLBBOR-IUCAKERBSA-N 0 0 221.260 2.285 20 5 BEBDRN COC1(C)CN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000538511272 324708894 /nfs/dbraw/zinc/70/88/94/324708894.db2.gz WSBPMFSOBKTWPV-UHFFFAOYSA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC1 ZINC000067162441 324782575 /nfs/dbraw/zinc/78/25/75/324782575.db2.gz SDKXWZXVCXXCSS-UHFFFAOYSA-N 0 0 234.255 2.138 20 5 BEBDRN CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000130296391 325035880 /nfs/dbraw/zinc/03/58/80/325035880.db2.gz FLWXKBAOMJXGLO-UHFFFAOYSA-N 0 0 237.259 2.435 20 5 BEBDRN CC(C)c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000546264559 325275087 /nfs/dbraw/zinc/27/50/87/325275087.db2.gz RLTHPTHUWFKNHL-UHFFFAOYSA-N 0 0 234.215 2.163 20 5 BEBDRN O=C(NCCCF)Nc1ccc([N+](=O)[O-])cc1 ZINC000134360994 325355278 /nfs/dbraw/zinc/35/52/78/325355278.db2.gz SXBNWWXAHZEDEN-UHFFFAOYSA-N 0 0 241.222 2.076 20 5 BEBDRN O=C(NCc1cccc([N+](=O)[O-])c1)C1CC=CC1 ZINC000077739584 325390856 /nfs/dbraw/zinc/39/08/56/325390856.db2.gz YXUVKDDGYAOQGR-UHFFFAOYSA-N 0 0 246.266 2.177 20 5 BEBDRN CCc1nocc1COc1cccnc1[N+](=O)[O-] ZINC000567487715 326203244 /nfs/dbraw/zinc/20/32/44/326203244.db2.gz XWIWJAMMIICPOK-UHFFFAOYSA-N 0 0 249.226 2.119 20 5 BEBDRN O=C(NC[C@H]1CC12CC2)c1ccccc1[N+](=O)[O-] ZINC000416053698 487991361 /nfs/dbraw/zinc/99/13/61/487991361.db2.gz DWBAEIJHJNWHOT-SECBINFHSA-N 0 0 246.266 2.125 20 5 BEBDRN O=C(NC[C@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000416068478 490169902 /nfs/dbraw/zinc/16/99/02/490169902.db2.gz WEOZHGDDBCNOSV-SNVBAGLBSA-N 0 0 246.266 2.125 20 5 BEBDRN CC(C)[C@H]1CCN1c1ccc([N+](=O)[O-])cn1 ZINC000450813772 490396112 /nfs/dbraw/zinc/39/61/12/490396112.db2.gz PFVHIMSGHNZNND-SNVBAGLBSA-N 0 0 221.260 2.225 20 5 BEBDRN Cc1c(CNC(=O)[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000616489440 491060034 /nfs/dbraw/zinc/06/00/34/491060034.db2.gz XNCPGMKMEWVYPS-KWQFWETISA-N 0 0 248.282 2.175 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2[C@@H]3CCC[C@@H]32)nc1 ZINC000310019588 534882451 /nfs/dbraw/zinc/88/24/51/534882451.db2.gz MMERZPMHLPDHAB-DOFRTFSJSA-N 0 0 219.244 2.200 20 5 BEBDRN CC1(COc2ccccc2[N+](=O)[O-])COC1 ZINC000345479543 535166825 /nfs/dbraw/zinc/16/68/25/535166825.db2.gz GRSOOBBCFQOVBR-UHFFFAOYSA-N 0 0 223.228 2.010 20 5 BEBDRN CC1(COc2ccc([N+](=O)[O-])cc2)COC1 ZINC000345493326 535167328 /nfs/dbraw/zinc/16/73/28/535167328.db2.gz YYEMSWPVYDEVIL-UHFFFAOYSA-N 0 0 223.228 2.010 20 5 BEBDRN CC[C@@H](O)CNc1cccc(C)c1[N+](=O)[O-] ZINC000233906593 535814243 /nfs/dbraw/zinc/81/42/43/535814243.db2.gz ZJVILKQBHNMANQ-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN CO[C@@H](C)CSc1ccc([N+](=O)[O-])cn1 ZINC000180778836 536883624 /nfs/dbraw/zinc/88/36/24/536883624.db2.gz BXNJRECEWCSTMN-ZETCQYMHSA-N 0 0 228.273 2.117 20 5 BEBDRN O=[N+]([O-])c1ccccc1OCCOC(F)F ZINC000853013156 588715521 /nfs/dbraw/zinc/71/55/21/588715521.db2.gz TVMSOQNYHGXNEW-UHFFFAOYSA-N 0 0 233.170 2.213 20 5 BEBDRN Cc1ncoc1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000853640676 588751609 /nfs/dbraw/zinc/75/16/09/588751609.db2.gz OKOVWBRDNXLZJY-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H]2C[C@@H]21 ZINC000853569245 588749110 /nfs/dbraw/zinc/74/91/10/588749110.db2.gz NLBJPWGXLIGHFE-SVRRBLITSA-N 0 0 239.662 2.242 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N1CCC2(COC2)C1 ZINC000853950221 588770072 /nfs/dbraw/zinc/77/00/72/588770072.db2.gz LTRZVTYLAHMBIH-UHFFFAOYSA-N 0 0 248.282 2.130 20 5 BEBDRN CC[C@H](C)N(CC)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000855145208 588824140 /nfs/dbraw/zinc/82/41/40/588824140.db2.gz KIUJDSPBCLPSAZ-JTQLQIEISA-N 0 0 244.335 2.469 20 5 BEBDRN CCCOc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001764623 582458878 /nfs/dbraw/zinc/45/88/78/582458878.db2.gz XNADXRHVEROFQO-UHFFFAOYSA-N 0 0 226.188 2.292 20 5 BEBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@H]2C[C@H]21 ZINC000804688576 582526355 /nfs/dbraw/zinc/52/63/55/582526355.db2.gz KAQHGZZZGYFRSV-OIBJUYFYSA-N 0 0 249.226 2.102 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1CC[C@@H]2C[C@@H]21 ZINC000804689090 582526708 /nfs/dbraw/zinc/52/67/08/582526708.db2.gz XLXGJHHBSTZWNP-SVRRBLITSA-N 0 0 210.258 2.255 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C=CCC1 ZINC000855431546 588835322 /nfs/dbraw/zinc/83/53/22/588835322.db2.gz CGABKVBEMSCRNX-JTQLQIEISA-N 0 0 246.266 2.352 20 5 BEBDRN CCCC[C@H](C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813111749 582589028 /nfs/dbraw/zinc/58/90/28/582589028.db2.gz WOPNYHWJSUCCQO-DTWKUNHWSA-N 0 0 217.265 2.021 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H]2C(F)F)c1 ZINC000804851899 582614451 /nfs/dbraw/zinc/61/44/51/582614451.db2.gz RPSKHASZMAZRRU-BQBZGAKWSA-N 0 0 243.213 2.243 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NC1CCCCCC1 ZINC000891429797 582683063 /nfs/dbraw/zinc/68/30/63/582683063.db2.gz WBOBQKGPKBIGSA-UHFFFAOYSA-N 0 0 238.291 2.463 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@@H]1C ZINC000891822713 582727000 /nfs/dbraw/zinc/72/70/00/582727000.db2.gz DJRKCNNVXYOVFO-YUMQZZPRSA-N 0 0 237.259 2.066 20 5 BEBDRN CCc1noc(-c2cc(OC)ccc2[N+](=O)[O-])n1 ZINC000849339070 582850051 /nfs/dbraw/zinc/85/00/51/582850051.db2.gz YFSGGPZBNPEQMK-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN C[C@@H](CNc1c([N+](=O)[O-])cnn1C)C(C)(C)C ZINC000892542540 582908954 /nfs/dbraw/zinc/90/89/54/582908954.db2.gz AVGPCCKLQPBRCK-QMMMGPOBSA-N 0 0 240.307 2.422 20 5 BEBDRN CC(C)(CCC(=O)N[C@@]1(C)CC1(C)C)[N+](=O)[O-] ZINC000856138459 588862710 /nfs/dbraw/zinc/86/27/10/588862710.db2.gz YUVBFRMVODKLMF-LBPRGKRZSA-N 0 0 242.319 2.127 20 5 BEBDRN CC[C@@H](C)[C@@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000892615377 582930517 /nfs/dbraw/zinc/93/05/17/582930517.db2.gz BYKUVSISWSENOG-HTQZYQBOSA-N 0 0 226.280 2.175 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NCCC1CC1 ZINC000892704869 582961522 /nfs/dbraw/zinc/96/15/22/582961522.db2.gz QCDMZFFOOFLGHT-UHFFFAOYSA-N 0 0 237.259 2.210 20 5 BEBDRN CC[C@H](C)CSc1c([N+](=O)[O-])cnn1C ZINC000892884109 583004467 /nfs/dbraw/zinc/00/44/67/583004467.db2.gz TUBJISBTXSSVHX-ZETCQYMHSA-N 0 0 229.305 2.467 20 5 BEBDRN Nc1ccc(N2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000853902020 583070343 /nfs/dbraw/zinc/07/03/43/583070343.db2.gz NCZUPYARGBWIBA-RKDXNWHRSA-N 0 0 233.271 2.023 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC(C)(C)C1 ZINC000814038004 583335634 /nfs/dbraw/zinc/33/56/34/583335634.db2.gz KMFIFAQQTJFIDN-RKDXNWHRSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C1=CCCCCC1 ZINC000814040956 583337439 /nfs/dbraw/zinc/33/74/39/583337439.db2.gz LRQSXRMISUTSPZ-VIFPVBQESA-N 0 0 227.260 2.085 20 5 BEBDRN CC[C@@H](C)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H](C)CC ZINC000841171938 583389194 /nfs/dbraw/zinc/38/91/94/583389194.db2.gz BJPRMWKLUPKJAR-GWOFURMSSA-N 0 0 242.319 2.077 20 5 BEBDRN O=[N+]([O-])c1ncccc1OCc1cscn1 ZINC000748645295 583537696 /nfs/dbraw/zinc/53/76/96/583537696.db2.gz AABYUDROVWVHLG-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1N[C@H]1CC12CCC2 ZINC000895090774 583587260 /nfs/dbraw/zinc/58/72/60/583587260.db2.gz PFYHQWKIRJEVPN-JTQLQIEISA-N 0 0 249.270 2.353 20 5 BEBDRN CC/C=C/COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000727047738 583595452 /nfs/dbraw/zinc/59/54/52/583595452.db2.gz VASJPHJOJRDJPB-SNAWJCMRSA-N 0 0 238.243 2.056 20 5 BEBDRN CC/C=C\COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000727047736 583595492 /nfs/dbraw/zinc/59/54/92/583595492.db2.gz VASJPHJOJRDJPB-PLNGDYQASA-N 0 0 238.243 2.056 20 5 BEBDRN O=[N+]([O-])c1ccccc1CN1CC[C@@H]1C(F)F ZINC000895434345 583672371 /nfs/dbraw/zinc/67/23/71/583672371.db2.gz AIULBWNUEDNBHI-SNVBAGLBSA-N 0 0 242.225 2.434 20 5 BEBDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cccnc1[N+](=O)[O-] ZINC000895537658 583687564 /nfs/dbraw/zinc/68/75/64/583687564.db2.gz RZNFMYYYGXYWJI-SDNRWEOFSA-N 0 0 233.271 2.446 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](CO)C2)c1 ZINC000896690768 583822452 /nfs/dbraw/zinc/82/24/52/583822452.db2.gz RFEMJNZDYGCDRD-MGCOHNPYSA-N 0 0 236.271 2.086 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@H]2C2CCCC2)nc1 ZINC000897155119 583886293 /nfs/dbraw/zinc/88/62/93/583886293.db2.gz CEJRRLBAOGPOTP-NSHDSACASA-N 0 0 248.286 2.154 20 5 BEBDRN C/C=C/c1ccc(OCC[N+](=O)[O-])c(OC)c1 ZINC000899230211 584182990 /nfs/dbraw/zinc/18/29/90/584182990.db2.gz FNEYWNUPIJGRIZ-ONEGZZNKSA-N 0 0 237.255 2.384 20 5 BEBDRN CC(C)c1ccccc1OCC[N+](=O)[O-] ZINC000899230767 584183073 /nfs/dbraw/zinc/18/30/73/584183073.db2.gz KJXMXOWRBVWQSC-UHFFFAOYSA-N 0 0 209.245 2.466 20 5 BEBDRN O=[N+]([O-])CCOc1cccc(C(F)(F)F)c1 ZINC000899230480 584183236 /nfs/dbraw/zinc/18/32/36/584183236.db2.gz IEGIWIHTKAQANR-UHFFFAOYSA-N 0 0 235.161 2.361 20 5 BEBDRN CC(C)Oc1ccc(OCC[N+](=O)[O-])cc1 ZINC000899232101 584183553 /nfs/dbraw/zinc/18/35/53/584183553.db2.gz XEXQFXKAJGNJIP-UHFFFAOYSA-N 0 0 225.244 2.129 20 5 BEBDRN Cc1cc(Cl)c(OCC[N+](=O)[O-])cc1F ZINC000899232843 584183649 /nfs/dbraw/zinc/18/36/49/584183649.db2.gz WGRPRYGQBGICKD-UHFFFAOYSA-N 0 0 233.626 2.443 20 5 BEBDRN O=[N+]([O-])CCSc1ccc(F)cc1 ZINC000899860710 584242614 /nfs/dbraw/zinc/24/26/14/584242614.db2.gz NDHAHSJTESECQD-UHFFFAOYSA-N 0 0 201.222 2.195 20 5 BEBDRN CC(C)(C)c1ccnc(SCC[N+](=O)[O-])n1 ZINC000899897040 584248343 /nfs/dbraw/zinc/24/83/43/584248343.db2.gz IBAQQIHSDHKCPM-UHFFFAOYSA-N 0 0 241.316 2.143 20 5 BEBDRN Cc1cn(C)nc1COc1cccc([N+](=O)[O-])c1 ZINC000901374093 584434993 /nfs/dbraw/zinc/43/49/93/584434993.db2.gz VWFKPRUYJUNJLF-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cn1cc(CSCC2CCC2)c([N+](=O)[O-])n1 ZINC000902332113 584562862 /nfs/dbraw/zinc/56/28/62/584562862.db2.gz UCZSNGBTXMFFKD-UHFFFAOYSA-N 0 0 241.316 2.362 20 5 BEBDRN Cc1ccc(C(=O)OCCCF)cc1[N+](=O)[O-] ZINC000741447277 584924862 /nfs/dbraw/zinc/92/48/62/584924862.db2.gz BKTXQNQMUFLUEP-UHFFFAOYSA-N 0 0 241.218 2.420 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CC2)c1C ZINC000888460425 585025159 /nfs/dbraw/zinc/02/51/59/585025159.db2.gz QJPDLVSCCSWDHO-UHFFFAOYSA-N 0 0 248.282 2.446 20 5 BEBDRN CCC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000005768317 585033583 /nfs/dbraw/zinc/03/35/83/585033583.db2.gz WMHOULGTYXECSC-UHFFFAOYSA-N 0 0 209.201 2.048 20 5 BEBDRN C[C@@H]1CCCCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000738225790 585041862 /nfs/dbraw/zinc/04/18/62/585041862.db2.gz ULWMHZRPYCWEJL-SNVBAGLBSA-N 0 0 238.291 2.013 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1SCc1ccco1 ZINC000742228790 585123594 /nfs/dbraw/zinc/12/35/94/585123594.db2.gz XUISYFSBTJEIMV-UHFFFAOYSA-N 0 0 239.256 2.214 20 5 BEBDRN NC(CC1CC1)=NOCc1ccc([N+](=O)[O-])cc1 ZINC000742364051 585124733 /nfs/dbraw/zinc/12/47/33/585124733.db2.gz AEAREYYNIHYYGB-UHFFFAOYSA-N 0 0 249.270 2.393 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1C/C(Cl)=C\Cl ZINC000746139759 585163700 /nfs/dbraw/zinc/16/37/00/585163700.db2.gz CGMKEKFKSCWUNN-QHHAFSJGSA-N 0 0 236.058 2.419 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N(C)Cc1cc[nH]n1 ZINC000747219890 585177077 /nfs/dbraw/zinc/17/70/77/585177077.db2.gz FDGIKIYSRIIGPJ-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN Cc1c(CC(=O)OCC2CC2)cccc1[N+](=O)[O-] ZINC000748470020 585193298 /nfs/dbraw/zinc/19/32/98/585193298.db2.gz FTXRRTYIZZLWOI-UHFFFAOYSA-N 0 0 249.266 2.399 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000753773339 585268725 /nfs/dbraw/zinc/26/87/25/585268725.db2.gz YZEOGNFCPRAJCE-SCZZXKLOSA-N 0 0 235.239 2.294 20 5 BEBDRN Cn1c(C(=O)Oc2ccccc2)ccc1[N+](=O)[O-] ZINC000755231693 585296592 /nfs/dbraw/zinc/29/65/92/585296592.db2.gz MICMZKZYUGBDNL-UHFFFAOYSA-N 0 0 246.222 2.153 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N(C)Cc1ncc[nH]1 ZINC000757924886 585347086 /nfs/dbraw/zinc/34/70/86/585347086.db2.gz PGEAOGPLOZDVSV-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)[C@H]1C[C@H]1C ZINC000760021931 585384409 /nfs/dbraw/zinc/38/44/09/585384409.db2.gz GPUMNSCWPCSTCZ-BDAKNGLRSA-N 0 0 235.239 2.465 20 5 BEBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc[nH]1 ZINC000760408717 585392043 /nfs/dbraw/zinc/39/20/43/585392043.db2.gz FQFIROCHFDMCIW-SSDOTTSWSA-N 0 0 249.226 2.007 20 5 BEBDRN CC1(C(=O)OCc2csc([N+](=O)[O-])c2)CC1 ZINC000761430943 585415626 /nfs/dbraw/zinc/41/56/26/585415626.db2.gz GJLBYFNVFACADY-UHFFFAOYSA-N 0 0 241.268 2.500 20 5 BEBDRN O=c1ccnc(C=Cc2csc([N+](=O)[O-])c2)[nH]1 ZINC000764437363 585465668 /nfs/dbraw/zinc/46/56/68/585465668.db2.gz ZNHQEMBQKCKZPL-UPHRSURJSA-N 0 0 249.251 2.322 20 5 BEBDRN CC1CN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000772573141 585618351 /nfs/dbraw/zinc/61/83/51/585618351.db2.gz ZTDNHUVJZDQUIA-UHFFFAOYSA-N 0 0 228.198 2.329 20 5 BEBDRN O=[N+]([O-])c1ncccc1Oc1ccc(F)nc1 ZINC000772903204 585627065 /nfs/dbraw/zinc/62/70/65/585627065.db2.gz FBOHVQDNOXQCCT-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN COc1cccc(CSCC[N+](=O)[O-])c1 ZINC000775189687 585673411 /nfs/dbraw/zinc/67/34/11/585673411.db2.gz DAABWOOQSXGKPR-UHFFFAOYSA-N 0 0 227.285 2.205 20 5 BEBDRN CC(C)(O)CCNc1cc([N+](=O)[O-])ccc1F ZINC000777600805 585716781 /nfs/dbraw/zinc/71/67/81/585716781.db2.gz MWYJUPMJVZYPJP-UHFFFAOYSA-N 0 0 242.250 2.307 20 5 BEBDRN Cc1nn(CN(C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000779864171 585769086 /nfs/dbraw/zinc/76/90/86/585769086.db2.gz FLBVJFVJRWMJJR-UHFFFAOYSA-N 0 0 240.307 2.035 20 5 BEBDRN Nc1ccc(C(=O)O[C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000780552378 585780688 /nfs/dbraw/zinc/78/06/88/585780688.db2.gz ODCPAQGYPBOZMX-VIFPVBQESA-N 0 0 248.238 2.052 20 5 BEBDRN O=C(Cc1ccccc1[N+](=O)[O-])O[C@@H]1C=CCC1 ZINC000780554568 585780900 /nfs/dbraw/zinc/78/09/00/585780900.db2.gz RDTUNIRAFYQDJY-LLVKDONJSA-N 0 0 247.250 2.399 20 5 BEBDRN CCON(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000780661612 585782838 /nfs/dbraw/zinc/78/28/38/585782838.db2.gz YKWWJHLHZVYCBO-UHFFFAOYSA-N 0 0 214.196 2.122 20 5 BEBDRN CCON(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000780663038 585782854 /nfs/dbraw/zinc/78/28/54/585782854.db2.gz XYYVKUAQROLBDQ-UHFFFAOYSA-N 0 0 231.639 2.031 20 5 BEBDRN CC(C)[C@@H](F)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000784006731 585846320 /nfs/dbraw/zinc/84/63/20/585846320.db2.gz ADCPBAAZENPYOM-SNVBAGLBSA-N 0 0 241.218 2.494 20 5 BEBDRN C/C(=C\C(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784587333 585864019 /nfs/dbraw/zinc/86/40/19/585864019.db2.gz FDIJBYCUJDYGQV-CMDGGOBGSA-N 0 0 246.266 2.277 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000786377966 585890509 /nfs/dbraw/zinc/89/05/09/585890509.db2.gz ZJMUGPJNPXYDBL-HTRCEHHLSA-N 0 0 241.268 2.356 20 5 BEBDRN CN(CC[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC000791053369 585973168 /nfs/dbraw/zinc/97/31/68/585973168.db2.gz LGWIDASYGIBWID-UHFFFAOYSA-N 0 0 228.679 2.049 20 5 BEBDRN O=[N+]([O-])CCN(Cc1ccccc1)CC(F)F ZINC000798197739 586140503 /nfs/dbraw/zinc/14/05/03/586140503.db2.gz UOFFUTWLOFOUNB-UHFFFAOYSA-N 0 0 244.241 2.030 20 5 BEBDRN Cc1nc(C(=O)Oc2cccc([N+](=O)[O-])c2)co1 ZINC000807918520 586451439 /nfs/dbraw/zinc/45/14/39/586451439.db2.gz VDKJRTHJMINNDN-UHFFFAOYSA-N 0 0 248.194 2.110 20 5 BEBDRN C[C@H](COC(=O)[C@@H](C)c1ccsc1)[N+](=O)[O-] ZINC000813102626 586592003 /nfs/dbraw/zinc/59/20/03/586592003.db2.gz UCCLKQHVZGFPFX-SFYZADRCSA-N 0 0 243.284 2.060 20 5 BEBDRN Cc1ccc(C(=O)OC[C@H](C)[N+](=O)[O-])c(C)c1 ZINC000813102821 586592025 /nfs/dbraw/zinc/59/20/25/586592025.db2.gz VYFOUAOLBNJWQJ-JTQLQIEISA-N 0 0 237.255 2.125 20 5 BEBDRN C[C@@H](COC(=O)C[C@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813101540 586592054 /nfs/dbraw/zinc/59/20/54/586592054.db2.gz CZRQFZXJQLXRQA-VWYCJHECSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)C[C@@H](C)CC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813102145 586592139 /nfs/dbraw/zinc/59/21/39/586592139.db2.gz OGMCVVKGZVBXSC-NXEZZACHSA-N 0 0 231.292 2.267 20 5 BEBDRN CCC(CC)(CC)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813101790 586592171 /nfs/dbraw/zinc/59/21/71/586592171.db2.gz ITVNSMVRQYGJCJ-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@H](COC(=O)c1cc2ccccc2o1)[N+](=O)[O-] ZINC000813103941 586592431 /nfs/dbraw/zinc/59/24/31/586592431.db2.gz VBNKOQCBHOTQKY-MRVPVSSYSA-N 0 0 249.222 2.255 20 5 BEBDRN C[C@@H](COC(=O)C1C[C@H](C)C[C@@H](C)C1)[N+](=O)[O-] ZINC000813106296 586592811 /nfs/dbraw/zinc/59/28/11/586592811.db2.gz ADCUAJOKDHPFGJ-BBBLOLIVSA-N 0 0 243.303 2.267 20 5 BEBDRN C[C@@H](COC(=O)CC1=CCCCC1)[N+](=O)[O-] ZINC000813106924 586592828 /nfs/dbraw/zinc/59/28/28/586592828.db2.gz HZZZQYAFGYWUPT-VIFPVBQESA-N 0 0 227.260 2.085 20 5 BEBDRN Cc1ccc(C)c(C(=O)OC[C@H](C)[N+](=O)[O-])c1 ZINC000813110028 586593342 /nfs/dbraw/zinc/59/33/42/586593342.db2.gz RBUZSMJHSRQPCS-JTQLQIEISA-N 0 0 237.255 2.125 20 5 BEBDRN C[C@H](COC(=O)[C@H]1CCCCC1(C)C)[N+](=O)[O-] ZINC000813110689 586593496 /nfs/dbraw/zinc/59/34/96/586593496.db2.gz HOELKJFRLXYYQY-NXEZZACHSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](COC(=O)[C@@H](C)CC(C)(C)C)[N+](=O)[O-] ZINC000813111942 586593610 /nfs/dbraw/zinc/59/36/10/586593610.db2.gz XYTYHJYJNYMKTP-DTWKUNHWSA-N 0 0 231.292 2.267 20 5 BEBDRN CCc1ccc(C(=O)OC[C@H](C)[N+](=O)[O-])s1 ZINC000813110403 586593634 /nfs/dbraw/zinc/59/36/34/586593634.db2.gz ZUOQBAONWQHXSV-ZETCQYMHSA-N 0 0 243.284 2.133 20 5 BEBDRN CC(C)c1ccoc1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813111765 586593668 /nfs/dbraw/zinc/59/36/68/586593668.db2.gz XBIMQFAYAGLTFV-QMMMGPOBSA-N 0 0 241.243 2.225 20 5 BEBDRN CCC[C@H](C)CC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813112342 586593757 /nfs/dbraw/zinc/59/37/57/586593757.db2.gz FRYDRWRVLQOSAW-IUCAKERBSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@H](COC(=O)c1sccc1Cl)[N+](=O)[O-] ZINC000813113430 586593941 /nfs/dbraw/zinc/59/39/41/586593941.db2.gz PUNDKADRURQIKJ-RXMQYKEDSA-N 0 0 249.675 2.224 20 5 BEBDRN C[C@H](COC(=O)CCC(C)(C)C)[N+](=O)[O-] ZINC000813114165 586593996 /nfs/dbraw/zinc/59/39/96/586593996.db2.gz ZKAFKVPOKQVMCM-MRVPVSSYSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC1(C)C ZINC000814037273 586611787 /nfs/dbraw/zinc/61/17/87/586611787.db2.gz VHFGBBFRUJVWPY-IUCAKERBSA-N 0 0 229.276 2.021 20 5 BEBDRN CCC(CC)CC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814035882 586611894 /nfs/dbraw/zinc/61/18/94/586611894.db2.gz QJCLVPFGARFKMN-QMMMGPOBSA-N 0 0 217.265 2.021 20 5 BEBDRN Cc1cc(C(=O)O[C@H](C)C[N+](=O)[O-])sc1C ZINC000814044420 586611961 /nfs/dbraw/zinc/61/19/61/586611961.db2.gz PUOWOIZGVWVDBP-SSDOTTSWSA-N 0 0 243.284 2.187 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)CC(C)(C)C ZINC000814036802 586612055 /nfs/dbraw/zinc/61/20/55/586612055.db2.gz LENKEDRDVUZOLB-DTWKUNHWSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)CC(C)(C)C ZINC000814036803 586612071 /nfs/dbraw/zinc/61/20/71/586612071.db2.gz LENKEDRDVUZOLB-IUCAKERBSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)CC1CCCC1 ZINC000814040002 586612307 /nfs/dbraw/zinc/61/23/07/586612307.db2.gz AKZSZMNYPZSOKV-VHSXEESVSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1(C)CCCCC1 ZINC000814042818 586612568 /nfs/dbraw/zinc/61/25/68/586612568.db2.gz OJROKYFGWQCECZ-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN C/C(=C/C(=O)O[C@@H](C)C[N+](=O)[O-])C(C)(C)C ZINC000814045227 586612749 /nfs/dbraw/zinc/61/27/49/586612749.db2.gz ZFMUPJUWOGZCON-XZLDQRQTSA-N 0 0 229.276 2.187 20 5 BEBDRN CCC(CC)[C@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814045269 586612858 /nfs/dbraw/zinc/61/28/58/586612858.db2.gz ODGGNEYHZMZDAI-IUCAKERBSA-N 0 0 231.292 2.267 20 5 BEBDRN CC(C)c1occc1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814047963 586613133 /nfs/dbraw/zinc/61/31/33/586613133.db2.gz ZDRSWDVWMOHRDX-QMMMGPOBSA-N 0 0 241.243 2.225 20 5 BEBDRN C[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])c1ccsc1 ZINC000814048427 586613217 /nfs/dbraw/zinc/61/32/17/586613217.db2.gz UEGQJRNORFEVJP-JGVFFNPUSA-N 0 0 243.284 2.060 20 5 BEBDRN C[C@@H](CF)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000814261924 586620616 /nfs/dbraw/zinc/62/06/16/586620616.db2.gz JSDKTLOVTCLDSP-ZETCQYMHSA-N 0 0 238.222 2.012 20 5 BEBDRN C[C@H](COC(=O)CC(C)(C)C1CC1)[N+](=O)[O-] ZINC000816090887 586707485 /nfs/dbraw/zinc/70/74/85/586707485.db2.gz BWRORMBHIUDMIR-MRVPVSSYSA-N 0 0 229.276 2.021 20 5 BEBDRN Nc1ccc(NC(=O)CCC2CC2)cc1[N+](=O)[O-] ZINC000819916775 587002025 /nfs/dbraw/zinc/00/20/25/587002025.db2.gz SSAXFDZKBYHMOD-UHFFFAOYSA-N 0 0 249.270 2.306 20 5 BEBDRN Nc1ccc(NC(=O)/C=C/C2CC2)cc1[N+](=O)[O-] ZINC000819916202 587002262 /nfs/dbraw/zinc/00/22/62/587002262.db2.gz JCMZZFQYEMQAEI-ZZXKWVIFSA-N 0 0 247.254 2.082 20 5 BEBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@@H]1CC12CC2 ZINC000819940805 587004414 /nfs/dbraw/zinc/00/44/14/587004414.db2.gz BVTCRWPBXOANMG-SECBINFHSA-N 0 0 249.226 2.467 20 5 BEBDRN C=C=CCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000820586952 587056838 /nfs/dbraw/zinc/05/68/38/587056838.db2.gz ZBKBRPXOCIDYIN-UHFFFAOYSA-N 0 0 205.217 2.051 20 5 BEBDRN CC(C)(CCC(=O)N1CCCCCC1)[N+](=O)[O-] ZINC000822114587 587154064 /nfs/dbraw/zinc/15/40/64/587154064.db2.gz FAWYXRHKXGTPAS-UHFFFAOYSA-N 0 0 242.319 2.225 20 5 BEBDRN CCC[C@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822346706 587163680 /nfs/dbraw/zinc/16/36/80/587163680.db2.gz MRUGDLYLRXKUAF-VIFPVBQESA-N 0 0 230.308 2.127 20 5 BEBDRN CC[C@H](C)N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822928832 587194138 /nfs/dbraw/zinc/19/41/38/587194138.db2.gz HQGZYZQPGNZPNU-VIFPVBQESA-N 0 0 230.308 2.079 20 5 BEBDRN CC[C@@H]1CCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823051401 587199821 /nfs/dbraw/zinc/19/98/21/587199821.db2.gz ZNLDAMFZBYIPKJ-SNVBAGLBSA-N 0 0 242.319 2.223 20 5 BEBDRN CC[C@H](C)CN(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823238358 587210554 /nfs/dbraw/zinc/21/05/54/587210554.db2.gz NZARCILADAKHRT-JTQLQIEISA-N 0 0 244.335 2.326 20 5 BEBDRN CCN(CC1CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823272201 587213025 /nfs/dbraw/zinc/21/30/25/587213025.db2.gz LLDAPLSMMOMLDP-UHFFFAOYSA-N 0 0 242.319 2.080 20 5 BEBDRN Cc1ccc(CNC(=O)[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000825655863 587329180 /nfs/dbraw/zinc/32/91/80/587329180.db2.gz VTQCDQJKFUYLTP-KOLCDFICSA-N 0 0 248.282 2.175 20 5 BEBDRN Cc1ccc(CNC(=O)[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000825648622 587329246 /nfs/dbraw/zinc/32/92/46/587329246.db2.gz VTQCDQJKFUYLTP-MWLCHTKSSA-N 0 0 248.282 2.175 20 5 BEBDRN C[C@@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1C ZINC000826643280 587357496 /nfs/dbraw/zinc/35/74/96/587357496.db2.gz KQIGIXPRNNHGGP-ZJUUUORDSA-N 0 0 242.319 2.079 20 5 BEBDRN C[C@@H](O)CCOc1cccc(Cl)c1[N+](=O)[O-] ZINC000829618669 587505816 /nfs/dbraw/zinc/50/58/16/587505816.db2.gz ZQRQMKISAHZSNO-SSDOTTSWSA-N 0 0 245.662 2.398 20 5 BEBDRN C[C@@H]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000829681104 587508733 /nfs/dbraw/zinc/50/87/33/587508733.db2.gz NYJWPWWWBYPOPR-NXEZZACHSA-N 0 0 242.319 2.127 20 5 BEBDRN C[C@H]1CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000829681106 587508899 /nfs/dbraw/zinc/50/88/99/587508899.db2.gz NYJWPWWWBYPOPR-VHSXEESVSA-N 0 0 242.319 2.127 20 5 BEBDRN CC(C)(CCC(=O)NCCC1(C)CC1)[N+](=O)[O-] ZINC000830872433 587574636 /nfs/dbraw/zinc/57/46/36/587574636.db2.gz HKBWKRFLCPBYQV-UHFFFAOYSA-N 0 0 242.319 2.128 20 5 BEBDRN CC(C)(CCC(=O)OCC1CCC1)[N+](=O)[O-] ZINC000835181005 587787190 /nfs/dbraw/zinc/78/71/90/587787190.db2.gz HGSITQLZOQEVJO-UHFFFAOYSA-N 0 0 229.276 2.165 20 5 BEBDRN C[C@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000835373709 587798760 /nfs/dbraw/zinc/79/87/60/587798760.db2.gz RQXILFCFUDBOLF-SECBINFHSA-N 0 0 243.303 2.411 20 5 BEBDRN CCC[C@@H]1CCC[C@@H]1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000835454418 587803144 /nfs/dbraw/zinc/80/31/44/587803144.db2.gz JMICDMDZGMKDIW-AXFHLTTASA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@]1(C)CCC[C@@H]1C ZINC000835466882 587803633 /nfs/dbraw/zinc/80/36/33/587803633.db2.gz LUGBOWXKJDUKEF-IQJOONFLSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C(C)(C)C1CCC1 ZINC000835468089 587803924 /nfs/dbraw/zinc/80/39/24/587803924.db2.gz YHRFIIWQFFIJMP-MRVPVSSYSA-N 0 0 229.276 2.021 20 5 BEBDRN CC(C)(CCC(=O)OC/C=C\Cl)[N+](=O)[O-] ZINC000837923620 587903479 /nfs/dbraw/zinc/90/34/79/587903479.db2.gz MTVRAUVZNPVEEC-UTCJRWHESA-N 0 0 235.667 2.118 20 5 BEBDRN CC(C)(CCC(=O)O[C@H]1C=CCCC1)[N+](=O)[O-] ZINC000837923881 587903511 /nfs/dbraw/zinc/90/35/11/587903511.db2.gz OFALDHPQKVUAMC-JTQLQIEISA-N 0 0 241.287 2.474 20 5 BEBDRN CC[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC000840670157 587915693 /nfs/dbraw/zinc/91/56/93/587915693.db2.gz CBMKNCJHOJJQKU-IJLUTSLNSA-N 0 0 249.266 2.346 20 5 BEBDRN Cc1ccccc1[C@H](C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673499 587916200 /nfs/dbraw/zinc/91/62/00/587916200.db2.gz QLTDXAJVBWXVSJ-MVWJERBFSA-N 0 0 249.266 2.264 20 5 BEBDRN O=C(OCCC1=CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840674316 587916315 /nfs/dbraw/zinc/91/63/15/587916315.db2.gz LKPSDCNEMSWMGT-GHMZBOCLSA-N 0 0 239.271 2.085 20 5 BEBDRN C[C@@H]1CC[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](C)C1 ZINC000841121232 587947105 /nfs/dbraw/zinc/94/71/05/587947105.db2.gz RGAGPZFDJTYYRH-ILAIQSSSSA-N 0 0 241.287 2.020 20 5 BEBDRN C[C@@H]1CC[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H]1C ZINC000842337775 588019317 /nfs/dbraw/zinc/01/93/17/588019317.db2.gz ISOBCISOWJXDSV-ISUQUUIWSA-N 0 0 241.287 2.020 20 5 BEBDRN CC[C@H](C)[C@H](CC)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842374920 588022613 /nfs/dbraw/zinc/02/26/13/588022613.db2.gz ZNXMYBKDRRQFIR-JLIMGVALSA-N 0 0 229.276 2.020 20 5 BEBDRN CCC[C@@H](C)c1noc([C@@H]2CC2[N+](=O)[O-])n1 ZINC000842490045 588030247 /nfs/dbraw/zinc/03/02/47/588030247.db2.gz IQDQTIXIWFYCRK-BWZBUEFSSA-N 0 0 225.248 2.106 20 5 BEBDRN CCC(CC)c1noc([C@@H]2CC2[N+](=O)[O-])n1 ZINC000842494766 588030670 /nfs/dbraw/zinc/03/06/70/588030670.db2.gz YVDUAKBQSKOIEZ-HTQZYQBOSA-N 0 0 225.248 2.106 20 5 BEBDRN Cc1ccc(OC(=O)C2(F)CC2)c([N+](=O)[O-])c1 ZINC000842688789 588053062 /nfs/dbraw/zinc/05/30/62/588053062.db2.gz NVAZAIIUEFXUQO-UHFFFAOYSA-N 0 0 239.202 2.311 20 5 BEBDRN C[C@@H](COC(=O)[C@@H]1C[C@H]1CC(C)(C)C)[N+](=O)[O-] ZINC000842802359 588064980 /nfs/dbraw/zinc/06/49/80/588064980.db2.gz WOFBETOZQQFIGC-LPEHRKFASA-N 0 0 243.303 2.267 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000842807683 588065584 /nfs/dbraw/zinc/06/55/84/588065584.db2.gz YNBDYCCRHCAMHT-KXUCPTDWSA-N 0 0 243.303 2.267 20 5 BEBDRN Cc1noc(-c2cc([N+](=O)[O-])ccc2N(C)C)n1 ZINC000843316223 588099801 /nfs/dbraw/zinc/09/98/01/588099801.db2.gz LFELRWWHOPDJNL-UHFFFAOYSA-N 0 0 248.242 2.019 20 5 BEBDRN Cc1nn(CC=C(Cl)Cl)cc1[N+](=O)[O-] ZINC000844238257 588176791 /nfs/dbraw/zinc/17/67/91/588176791.db2.gz AJLOVJKESIGDET-UHFFFAOYSA-N 0 0 236.058 2.419 20 5 BEBDRN CC(=O)O[C@H](c1ccccc1F)[C@H](C)[N+](=O)[O-] ZINC000845872511 588249398 /nfs/dbraw/zinc/24/93/98/588249398.db2.gz ISNNYTLHRUNGST-CPCISQLKSA-N 0 0 241.218 2.095 20 5 BEBDRN C[C@@H]1C[C@H]1C(N)=NOCc1cccc([N+](=O)[O-])c1 ZINC000848515300 588388728 /nfs/dbraw/zinc/38/87/28/588388728.db2.gz XAJXUXVJPZJQJY-LDYMZIIASA-N 0 0 249.270 2.249 20 5 BEBDRN C[C@H]1C[C@@H]1C(N)=NOCc1cccc([N+](=O)[O-])c1 ZINC000848515297 588388974 /nfs/dbraw/zinc/38/89/74/588388974.db2.gz XAJXUXVJPZJQJY-KWQFWETISA-N 0 0 249.270 2.249 20 5 BEBDRN C[C@H](O)CCNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000849312053 588471643 /nfs/dbraw/zinc/47/16/43/588471643.db2.gz WAUIEUCZTVGYRR-ZETCQYMHSA-N 0 0 244.678 2.431 20 5 BEBDRN CC(C)C(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC000849627681 588481687 /nfs/dbraw/zinc/48/16/87/588481687.db2.gz HYYBFETUSDACPF-UHFFFAOYSA-N 0 0 241.218 2.433 20 5 BEBDRN O=c1c(F)cc([N+](=O)[O-])cn1CCC1CCC1 ZINC000849925440 588509527 /nfs/dbraw/zinc/50/95/27/588509527.db2.gz BFQNQSOYKJESHV-UHFFFAOYSA-N 0 0 240.234 2.086 20 5 BEBDRN O=[N+]([O-])c1cc(OCCCF)cc([N+](=O)[O-])c1 ZINC000849957074 588510669 /nfs/dbraw/zinc/51/06/69/588510669.db2.gz ZYGGNWSLFMTFGJ-UHFFFAOYSA-N 0 0 244.178 2.241 20 5 BEBDRN C[C@H](COC(=O)C1CCC2(CC2)CC1)[N+](=O)[O-] ZINC000851036136 588585514 /nfs/dbraw/zinc/58/55/14/588585514.db2.gz FWQFXVGWFLZBRQ-SECBINFHSA-N 0 0 241.287 2.165 20 5 BEBDRN CC(C)(COC(=O)CC1=CCCCC1)[N+](=O)[O-] ZINC000851126693 588592273 /nfs/dbraw/zinc/59/22/73/588592273.db2.gz QJEMHKOQLJWXBB-UHFFFAOYSA-N 0 0 241.287 2.475 20 5 BEBDRN CCC(CC)CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851126067 588592806 /nfs/dbraw/zinc/59/28/06/588592806.db2.gz LTCZPIZPZOOXAA-UHFFFAOYSA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@H]1CCC[C@@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851129271 588593055 /nfs/dbraw/zinc/59/30/55/588593055.db2.gz LULQBKDHXOBCGC-UWVGGRQHSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1sccc1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851129203 588593138 /nfs/dbraw/zinc/59/31/38/588593138.db2.gz KLBGWZSBLZVVKS-UHFFFAOYSA-N 0 0 243.284 2.269 20 5 BEBDRN CC[C@H](C)CCC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128691 588593152 /nfs/dbraw/zinc/59/31/52/588593152.db2.gz CEKINSLODAEABV-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN CC(C)(COC(=O)CC1CC(C)(C)C1)[N+](=O)[O-] ZINC000851130196 588593333 /nfs/dbraw/zinc/59/33/33/588593333.db2.gz SOUONFNNDMQBMJ-UHFFFAOYSA-N 0 0 243.303 2.411 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H]2C[C@H]21 ZINC000851877577 588638748 /nfs/dbraw/zinc/63/87/48/588638748.db2.gz LQCKFWCWAQNVJA-GZMMTYOYSA-N 0 0 236.246 2.328 20 5 BEBDRN CCC[C@](C)(CC)C(=O)OCCC[N+](=O)[O-] ZINC000860920601 589131137 /nfs/dbraw/zinc/13/11/37/589131137.db2.gz DMGOKEAQBZGQDB-NSHDSACASA-N 0 0 231.292 2.413 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])c1ccc(Cl)s1 ZINC000860912534 589131299 /nfs/dbraw/zinc/13/12/99/589131299.db2.gz QZUQRCJPRITRAD-UHFFFAOYSA-N 0 0 249.675 2.225 20 5 BEBDRN CCCC[C@H](CC)C(=O)OCCC[N+](=O)[O-] ZINC000860913031 589131315 /nfs/dbraw/zinc/13/13/15/589131315.db2.gz MEFLQDPHOPWGFV-JTQLQIEISA-N 0 0 231.292 2.413 20 5 BEBDRN CCc1ccccc1C(=O)OCCC[N+](=O)[O-] ZINC000860916950 589131560 /nfs/dbraw/zinc/13/15/60/589131560.db2.gz CQXAKUOXUNIYOC-UHFFFAOYSA-N 0 0 237.255 2.073 20 5 BEBDRN C[C@H]1CCCC[C@@H]1CC(=O)OCCC[N+](=O)[O-] ZINC000860916044 589131725 /nfs/dbraw/zinc/13/17/25/589131725.db2.gz MDOBFGGHIDACOR-WDEREUQCSA-N 0 0 243.303 2.413 20 5 BEBDRN CC1(C)CCC[C@@H](C(=O)OCCC[N+](=O)[O-])C1 ZINC000860917973 589131782 /nfs/dbraw/zinc/13/17/82/589131782.db2.gz XCNDCLZOMJUAAT-SNVBAGLBSA-N 0 0 243.303 2.413 20 5 BEBDRN CC[C@H](C)CCC(=O)OCCC[N+](=O)[O-] ZINC000860918274 589131911 /nfs/dbraw/zinc/13/19/11/589131911.db2.gz FEKLDJBVOUHFJE-VIFPVBQESA-N 0 0 217.265 2.023 20 5 BEBDRN C[C@H]1CC[C@H](C(=O)OCCC[N+](=O)[O-])CC1 ZINC000860918671 589132326 /nfs/dbraw/zinc/13/23/26/589132326.db2.gz CGIIUEFKXQNGIE-MGCOHNPYSA-N 0 0 229.276 2.023 20 5 BEBDRN CC[C@@H]1CCCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860920833 589132640 /nfs/dbraw/zinc/13/26/40/589132640.db2.gz JLCSEWMLJUBQGN-MNOVXSKESA-N 0 0 243.303 2.413 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])C1=CCCCCC1 ZINC000860920942 589132641 /nfs/dbraw/zinc/13/26/41/589132641.db2.gz JXBBZUYLNFGTEV-UHFFFAOYSA-N 0 0 227.260 2.087 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])C1CCC2(CC2)CC1 ZINC000860922834 589132814 /nfs/dbraw/zinc/13/28/14/589132814.db2.gz ZGDSZSCFVVTUCM-UHFFFAOYSA-N 0 0 241.287 2.167 20 5 BEBDRN O=[N+]([O-])c1cnn(CCCCc2ccccc2)n1 ZINC000863374838 589284754 /nfs/dbraw/zinc/28/47/54/589284754.db2.gz YIXPINUEVMJPSK-UHFFFAOYSA-N 0 0 246.270 2.209 20 5 BEBDRN C[C@@H]1CCC[C@H](Cn2ncc([N+](=O)[O-])n2)C1 ZINC000863374824 589284894 /nfs/dbraw/zinc/28/48/94/589284894.db2.gz YHNRMMNXQXVKNN-BDAKNGLRSA-N 0 0 224.264 2.013 20 5 BEBDRN CCCC[C@H](CC)Cn1ncc([N+](=O)[O-])n1 ZINC000863374229 589284940 /nfs/dbraw/zinc/28/49/40/589284940.db2.gz LGZXCNQQZFNDMF-VIFPVBQESA-N 0 0 226.280 2.403 20 5 BEBDRN CCn1ncnc1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000864543087 589377360 /nfs/dbraw/zinc/37/73/60/589377360.db2.gz WXLOOAZBRXHXLY-UHFFFAOYSA-N 0 0 232.243 2.182 20 5 BEBDRN C[C@H](Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC000865357514 589424900 /nfs/dbraw/zinc/42/49/00/589424900.db2.gz JCZNAUMFBSNVAO-SECBINFHSA-N 0 0 238.287 2.439 20 5 BEBDRN Cc1cc(=O)n(CCCC2CC2)cc1[N+](=O)[O-] ZINC000865359036 589425389 /nfs/dbraw/zinc/42/53/89/589425389.db2.gz DIKPTZYNKKFFHL-UHFFFAOYSA-N 0 0 236.271 2.255 20 5 BEBDRN CC(C)(C)SCn1cnc([N+](=O)[O-])c1 ZINC000871645609 589780844 /nfs/dbraw/zinc/78/08/44/589780844.db2.gz DOMUFZGGZBPSLI-UHFFFAOYSA-N 0 0 215.278 2.281 20 5 BEBDRN CCn1cc(-c2ccc(C)c([N+](=O)[O-])c2)nn1 ZINC000871886750 589829014 /nfs/dbraw/zinc/82/90/14/589829014.db2.gz RXFFFIYZKSUWCB-UHFFFAOYSA-N 0 0 232.243 2.182 20 5 BEBDRN CCC[C@H](CC)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000873532871 590054501 /nfs/dbraw/zinc/05/45/01/590054501.db2.gz ORMZFLNLPQXFAC-IUCAKERBSA-N 0 0 217.265 2.021 20 5 BEBDRN Cc1ccc(NCc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000876819121 590245887 /nfs/dbraw/zinc/24/58/87/590245887.db2.gz AZNCVMNSQXQXEU-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1ccc(OCCOC2CC2)cc1[N+](=O)[O-] ZINC000877879836 590434030 /nfs/dbraw/zinc/43/40/30/590434030.db2.gz RYFRFNUJJYLIRU-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCOC2CC2)c(F)c1 ZINC000877876003 590435310 /nfs/dbraw/zinc/43/53/10/590435310.db2.gz YCUYHMOCPUUMTA-UHFFFAOYSA-N 0 0 241.218 2.292 20 5 BEBDRN Cc1cccc(OCCOC2CC2)c1[N+](=O)[O-] ZINC000877879756 590437123 /nfs/dbraw/zinc/43/71/23/590437123.db2.gz OLTAWJFIZJPEGD-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1nn(CC2CC(C)C2)cc1[N+](=O)[O-] ZINC000877881758 590437753 /nfs/dbraw/zinc/43/77/53/590437753.db2.gz WKTQTDOKENSZMA-UHFFFAOYSA-N 0 0 209.249 2.146 20 5 BEBDRN CC(C)[C@@H](O)CCOc1ccc([N+](=O)[O-])cc1 ZINC000882034220 591289522 /nfs/dbraw/zinc/28/95/22/591289522.db2.gz OSKCTBVDEXSJFN-LBPRGKRZSA-N 0 0 239.271 2.381 20 5 BEBDRN CC[C@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882077747 591294252 /nfs/dbraw/zinc/29/42/52/591294252.db2.gz HRAIIWAZQYRZCH-QMMMGPOBSA-N 0 0 239.250 2.365 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1NC1CC=CC1 ZINC000882089994 591295789 /nfs/dbraw/zinc/29/57/89/591295789.db2.gz ODDPOHBKQNIHBF-UHFFFAOYSA-N 0 0 223.207 2.259 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1N1CCC=C(F)C1 ZINC000882167237 591310439 /nfs/dbraw/zinc/31/04/39/591310439.db2.gz BTDPBFNCGZGBNM-UHFFFAOYSA-N 0 0 241.197 2.192 20 5 BEBDRN CC(=O)c1c(NCCF)cccc1[N+](=O)[O-] ZINC000882299572 591327026 /nfs/dbraw/zinc/32/70/26/591327026.db2.gz KHQIZQYBQKMCNB-UHFFFAOYSA-N 0 0 226.207 2.179 20 5 BEBDRN CC1(C)C[C@@H]1Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882453685 591351121 /nfs/dbraw/zinc/35/11/21/591351121.db2.gz GNVOUVZDHBIBSH-ZETCQYMHSA-N 0 0 225.223 2.339 20 5 BEBDRN C[C@@H](O)CSc1ncc(Cl)cc1[N+](=O)[O-] ZINC000882737675 591425356 /nfs/dbraw/zinc/42/53/56/591425356.db2.gz SIMCCNSSBGWQPF-RXMQYKEDSA-N 0 0 248.691 2.116 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1CCC[C@@H](CF)C1 ZINC000882801440 591443920 /nfs/dbraw/zinc/44/39/20/591443920.db2.gz QNAXEENAWHOZIP-VIFPVBQESA-N 0 0 239.250 2.176 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2CCC(F)CC2)c1 ZINC000882805753 591444740 /nfs/dbraw/zinc/44/47/40/591444740.db2.gz UJBQXKUTNAETHW-UHFFFAOYSA-N 0 0 239.250 2.115 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC2CC=CC2)n1 ZINC000130167814 591446480 /nfs/dbraw/zinc/44/64/80/591446480.db2.gz BBYKOHRNXXXEDH-UHFFFAOYSA-N 0 0 219.244 2.429 20 5 BEBDRN COc1cnn(Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000883016654 591516238 /nfs/dbraw/zinc/51/62/38/591516238.db2.gz HIOPCTWJQZVUTO-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000132561079 591720582 /nfs/dbraw/zinc/72/05/82/591720582.db2.gz HPHAQCGIFYQWJF-LHLIQPBNSA-N 0 0 239.202 2.295 20 5 BEBDRN C=C/C=C/CCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000884535132 591970563 /nfs/dbraw/zinc/97/05/63/591970563.db2.gz WVLRCNCDBBDRMV-AATRIKPKSA-N 0 0 241.287 2.497 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])s1)[C@@H]1CCC[C@H]1O ZINC000884630125 591998212 /nfs/dbraw/zinc/99/82/12/591998212.db2.gz AXBIYWVPIBXRDM-HTQZYQBOSA-N 0 0 242.300 2.006 20 5 BEBDRN CN(CCCF)c1ccc([N+](=O)[O-])cc1 ZINC000884855474 592025027 /nfs/dbraw/zinc/02/50/27/592025027.db2.gz HSFISFGJHZQVLF-UHFFFAOYSA-N 0 0 212.224 2.391 20 5 BEBDRN CN(CCCF)c1ccsc1[N+](=O)[O-] ZINC000884859048 592025924 /nfs/dbraw/zinc/02/59/24/592025924.db2.gz PETIYXPEKMSRMQ-UHFFFAOYSA-N 0 0 218.253 2.452 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000136127490 592097372 /nfs/dbraw/zinc/09/73/72/592097372.db2.gz PSHVEZPVXSFORF-OCAPTIKFSA-N 0 0 222.219 2.190 20 5 BEBDRN CC1=CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC000886186400 592172714 /nfs/dbraw/zinc/17/27/14/592172714.db2.gz XUGHQCCGMHAPKA-UHFFFAOYSA-N 0 0 233.271 2.142 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2C[C@@H]2C1 ZINC000887163180 592465072 /nfs/dbraw/zinc/46/50/72/592465072.db2.gz MVOXGRAVEVBCNX-DTORHVGOSA-N 0 0 247.254 2.078 20 5 BEBDRN CCC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000887405178 592503186 /nfs/dbraw/zinc/50/31/86/592503186.db2.gz UXZNOZVWYNAPLX-SECBINFHSA-N 0 0 236.271 2.225 20 5 BEBDRN CC[C@@H](C)Cn1c(C)c([N+](=O)[O-])ccc1=O ZINC000298416554 592730824 /nfs/dbraw/zinc/73/08/24/592730824.db2.gz WKXQPNVKAYMINJ-MRVPVSSYSA-N 0 0 224.260 2.111 20 5 BEBDRN COC(CSc1cccc([N+](=O)[O-])c1)OC ZINC000313563951 634490642 /nfs/dbraw/zinc/49/06/42/634490642.db2.gz RIWAIQPWSKEPDV-UHFFFAOYSA-N 0 0 243.284 2.306 20 5 BEBDRN C[C@H]1CCCC[C@@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000891442800 631303455 /nfs/dbraw/zinc/30/34/55/631303455.db2.gz UTEAOVAFRANFHI-IUCAKERBSA-N 0 0 238.291 2.319 20 5 BEBDRN C/C=C\COC(=O)c1csc([N+](=O)[O-])c1 ZINC000255398149 631487791 /nfs/dbraw/zinc/48/77/91/631487791.db2.gz DAAJCBYONNKHFI-IHWYPQMZSA-N 0 0 227.241 2.389 20 5 BEBDRN C[C@@H](NCC[N+](=O)[O-])c1ccccc1Cl ZINC000309114314 631887891 /nfs/dbraw/zinc/88/78/91/631887891.db2.gz KTDATQQLAANGBX-MRVPVSSYSA-N 0 0 228.679 2.267 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H](F)C2)c(F)c1 ZINC000309260962 631983262 /nfs/dbraw/zinc/98/32/62/631983262.db2.gz VJUHBOGXNNSAAO-ZETCQYMHSA-N 0 0 228.198 2.282 20 5 BEBDRN C[C@@H](O)CNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000235224919 632002394 /nfs/dbraw/zinc/00/23/94/632002394.db2.gz SVMXRARFUKLENG-RXMQYKEDSA-N 0 0 248.641 2.180 20 5 BEBDRN C[C@@H](NCC[N+](=O)[O-])c1c(F)cccc1Cl ZINC000309363744 632022336 /nfs/dbraw/zinc/02/23/36/632022336.db2.gz AWFSZCQXVXTJAF-SSDOTTSWSA-N 0 0 246.669 2.406 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000072508500 633100568 /nfs/dbraw/zinc/10/05/68/633100568.db2.gz BEGGJOPFNDWUAW-XVKPBYJWSA-N 0 0 221.212 2.156 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000072508498 633101316 /nfs/dbraw/zinc/10/13/16/633101316.db2.gz BEGGJOPFNDWUAW-XCBNKYQSSA-N 0 0 221.212 2.156 20 5 BEBDRN Cc1cccc(C(=O)OCC(F)F)c1[N+](=O)[O-] ZINC000126763151 636024894 /nfs/dbraw/zinc/02/48/94/636024894.db2.gz TUBWLVBQYPWJRI-UHFFFAOYSA-N 0 0 245.181 2.325 20 5 BEBDRN O=C(OCC(F)F)c1ccccc1[N+](=O)[O-] ZINC000126748343 636009670 /nfs/dbraw/zinc/00/96/70/636009670.db2.gz RGCUEVVTMTYGBW-UHFFFAOYSA-N 0 0 231.154 2.017 20 5 BEBDRN CCCOC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000035101626 636740748 /nfs/dbraw/zinc/74/07/48/636740748.db2.gz RFXWOFJRHDGQOZ-UHFFFAOYSA-N 0 0 223.228 2.470 20 5 BEBDRN C[C@@H](c1ccc(F)c(F)c1)N(C)CC[N+](=O)[O-] ZINC000929161465 636864579 /nfs/dbraw/zinc/86/45/79/636864579.db2.gz ZVDVHZOEBQWCCS-QMMMGPOBSA-N 0 0 244.241 2.234 20 5 BEBDRN COc1cc([C@H](C)NCCF)cc([N+](=O)[O-])c1 ZINC000903168540 637352823 /nfs/dbraw/zinc/35/28/23/637352823.db2.gz XCPYCSIKJWFYBL-QMMMGPOBSA-N 0 0 242.250 2.224 20 5 BEBDRN CC(C)OCc1cccc(NCC[N+](=O)[O-])c1 ZINC000905311743 637742428 /nfs/dbraw/zinc/74/24/28/637742428.db2.gz AWODQUIVUVGING-UHFFFAOYSA-N 0 0 238.287 2.300 20 5 BEBDRN CO[C@@H](C)c1cccc(NCC[N+](=O)[O-])c1 ZINC000905315321 637743332 /nfs/dbraw/zinc/74/33/32/637743332.db2.gz VJWISVONKHSFHX-VIFPVBQESA-N 0 0 224.260 2.083 20 5 BEBDRN CSCCc1ccc(NCC[N+](=O)[O-])cc1 ZINC000905316352 637744021 /nfs/dbraw/zinc/74/40/21/637744021.db2.gz YBKJMLPXYSOWPU-UHFFFAOYSA-N 0 0 240.328 2.281 20 5 BEBDRN CCSc1cccc(NCC[N+](=O)[O-])c1 ZINC000905320810 637745091 /nfs/dbraw/zinc/74/50/91/637745091.db2.gz HAKUJGKVGARRTO-UHFFFAOYSA-N 0 0 226.301 2.487 20 5 BEBDRN CC1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000044368247 641599416 /nfs/dbraw/zinc/59/94/16/641599416.db2.gz FPIFSZXUULUGMU-QMMMGPOBSA-N 0 0 248.242 2.341 20 5 BEBDRN Cc1c(OC(=O)[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000076609276 641733828 /nfs/dbraw/zinc/73/38/28/641733828.db2.gz ZLRUKZZVRIINKV-VXNVDRBHSA-N 0 0 235.239 2.465 20 5 BEBDRN O=C(CC1CC1)OCc1cccc([N+](=O)[O-])c1 ZINC000914810716 641769538 /nfs/dbraw/zinc/76/95/38/641769538.db2.gz BFZYFZVHBYQTIC-UHFFFAOYSA-N 0 0 235.239 2.438 20 5 BEBDRN CNC(=S)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000916112267 641909256 /nfs/dbraw/zinc/90/92/56/641909256.db2.gz GYPMUVJWTVYNSD-UHFFFAOYSA-N 0 0 239.300 2.128 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H]2CO)cc1 ZINC000078363898 641916187 /nfs/dbraw/zinc/91/61/87/641916187.db2.gz RMYMIOQRWIIDFZ-CABZTGNLSA-N 0 0 236.271 2.168 20 5 BEBDRN COc1cccc(Cn2nccc2[N+](=O)[O-])c1C ZINC000916723805 641969957 /nfs/dbraw/zinc/96/99/57/641969957.db2.gz WTVMVOZMQMOJEN-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN O=[N+]([O-])c1ncccc1Nc1cccc(CO)c1 ZINC000916991273 641989941 /nfs/dbraw/zinc/98/99/41/641989941.db2.gz RNCIILFCLMHLDY-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN O=c1ccn(C2CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000917109494 642012017 /nfs/dbraw/zinc/01/20/17/642012017.db2.gz HFLSQXCKICOFMI-UHFFFAOYSA-N 0 0 234.255 2.262 20 5 BEBDRN Cc1ncc(COc2ncc(C)cc2[N+](=O)[O-])o1 ZINC000917149347 642020956 /nfs/dbraw/zinc/02/09/56/642020956.db2.gz LPIKPICAPZCRQU-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CC(=O)[C@@H](C)SCc1cccnc1[N+](=O)[O-] ZINC000917164228 642022361 /nfs/dbraw/zinc/02/23/61/642022361.db2.gz YTJHRQZASLWRSG-MRVPVSSYSA-N 0 0 240.284 2.201 20 5 BEBDRN CC(C)[C@@H](O)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000917339399 642041559 /nfs/dbraw/zinc/04/15/59/642041559.db2.gz MCETZFIFTNCJLI-NSHDSACASA-N 0 0 243.234 2.130 20 5 BEBDRN CO[C@H](Cn1ccnc1[N+](=O)[O-])c1ccccc1 ZINC000918377762 642192344 /nfs/dbraw/zinc/19/23/44/642192344.db2.gz KKKIIXAHYUYMHX-LLVKDONJSA-N 0 0 247.254 2.179 20 5 BEBDRN C[C@H](Cn1ccnc1[N+](=O)[O-])C(C)(C)C ZINC000918386080 642194613 /nfs/dbraw/zinc/19/46/13/642194613.db2.gz GCPFBQXSBCGGFZ-MRVPVSSYSA-N 0 0 211.265 2.474 20 5 BEBDRN O=C(OCc1csc([N+](=O)[O-])c1)C1CC1 ZINC000918859739 642276171 /nfs/dbraw/zinc/27/61/71/642276171.db2.gz GEWWYOXHELRTTL-UHFFFAOYSA-N 0 0 227.241 2.110 20 5 BEBDRN CCC(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000918858667 642277357 /nfs/dbraw/zinc/27/73/57/642277357.db2.gz ALBVTUIISPYEPR-UHFFFAOYSA-N 0 0 227.191 2.187 20 5 BEBDRN CCCCCOC(=O)c1ccc([N+](=O)[O-])n1C ZINC000919025895 642294195 /nfs/dbraw/zinc/29/41/95/642294195.db2.gz YACSCXYFIPXFGM-UHFFFAOYSA-N 0 0 240.259 2.280 20 5 BEBDRN C[C@@H]1CCN1c1ccc([N+](=O)[O-])cc1F ZINC000920057049 642426941 /nfs/dbraw/zinc/42/69/41/642426941.db2.gz HSASHAJPHHIRQX-SSDOTTSWSA-N 0 0 210.208 2.333 20 5 BEBDRN C[C@@H]1CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000920057331 642427779 /nfs/dbraw/zinc/42/77/79/642427779.db2.gz HXHWDOSKMNXYBB-SSDOTTSWSA-N 0 0 237.215 2.102 20 5 BEBDRN CC(C)=CC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000305822152 642704372 /nfs/dbraw/zinc/70/43/72/642704372.db2.gz VPBUCTLGACVUFS-UHFFFAOYSA-N 0 0 248.282 2.486 20 5 BEBDRN CC(C)[C@@H](O)COc1ccc([N+](=O)[O-])cc1F ZINC000305999152 642717308 /nfs/dbraw/zinc/71/73/08/642717308.db2.gz KOEPYKHLSNCHCV-JTQLQIEISA-N 0 0 243.234 2.130 20 5 BEBDRN Cc1cccc(OC[C@H](O)C(C)C)c1[N+](=O)[O-] ZINC000306005672 642718625 /nfs/dbraw/zinc/71/86/25/642718625.db2.gz LORZTLIDUDKWBX-JTQLQIEISA-N 0 0 239.271 2.299 20 5 BEBDRN O=[N+]([O-])c1cnn(C/C(Cl)=C/Cl)c1 ZINC000306343851 642738659 /nfs/dbraw/zinc/73/86/59/642738659.db2.gz MALDXVBTCKQZDD-KTAJNNJTSA-N 0 0 222.031 2.110 20 5 BEBDRN O=Cc1c[nH]nc1C=Cc1ccc([N+](=O)[O-])cc1 ZINC000255044820 643281144 /nfs/dbraw/zinc/28/11/44/643281144.db2.gz YUXWNUGYWCKDLC-UTCJRWHESA-N 0 0 243.222 2.301 20 5 BEBDRN O=Cc1c[nH]nc1C=Cc1cccc([N+](=O)[O-])c1 ZINC000255143292 643495334 /nfs/dbraw/zinc/49/53/34/643495334.db2.gz GNBLEIQETPFHQI-PLNGDYQASA-N 0 0 243.222 2.301 20 5 BEBDRN C[C@@H](O)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000840769208 643540687 /nfs/dbraw/zinc/54/06/87/643540687.db2.gz VKJHURIPIIAGFP-ZCFIWIBFSA-N 0 0 231.635 2.008 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1C[C@@H]1C ZINC000079209198 644162963 /nfs/dbraw/zinc/16/29/63/644162963.db2.gz SCZZJMRYUSBFGU-WPRPVWTQSA-N 0 0 235.239 2.465 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000193997458 644292983 /nfs/dbraw/zinc/29/29/83/644292983.db2.gz RIRLBJDLZPHLJR-CABZTGNLSA-N 0 0 249.266 2.337 20 5 BEBDRN Cc1cccc(C(=O)Nc2ccon2)c1[N+](=O)[O-] ZINC000194925533 644352469 /nfs/dbraw/zinc/35/24/69/644352469.db2.gz PLZPQBIJQLOSAZ-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN C[C@H](O)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000083676520 644406132 /nfs/dbraw/zinc/40/61/32/644406132.db2.gz YZWOFJGPXAJRIF-LURJTMIESA-N 0 0 231.635 2.008 20 5 BEBDRN COCCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000088242816 644515092 /nfs/dbraw/zinc/51/50/92/644515092.db2.gz NJHMILRWILZPQH-UHFFFAOYSA-N 0 0 229.207 2.149 20 5 BEBDRN C/C=C(\CC)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819905856 645021539 /nfs/dbraw/zinc/02/15/39/645021539.db2.gz YQYSAUIJJDSYPV-FPYGCLRLSA-N 0 0 249.270 2.472 20 5 BEBDRN CC1(C)C[C@@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819905833 645021682 /nfs/dbraw/zinc/02/16/82/645021682.db2.gz XWFSBALCIQFZGT-MRVPVSSYSA-N 0 0 249.270 2.162 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)C1(F)CC1 ZINC000843524231 645293666 /nfs/dbraw/zinc/29/36/66/645293666.db2.gz ZZHBPYISNMUHDJ-UHFFFAOYSA-N 0 0 224.191 2.035 20 5 BEBDRN CCCCOC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000857728220 645663841 /nfs/dbraw/zinc/66/38/41/645663841.db2.gz ZQGBJEBROVFOGV-UHFFFAOYSA-N 0 0 238.243 2.255 20 5 BEBDRN CC(C)[N@H+](CC[N+](=O)[O-])Cc1cccs1 ZINC000929339843 646083771 /nfs/dbraw/zinc/08/37/71/646083771.db2.gz OMEUZXDAGDIMCT-UHFFFAOYSA-N 0 0 228.317 2.235 20 5 BEBDRN O=[N+]([O-])CC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000929588762 646188087 /nfs/dbraw/zinc/18/80/87/646188087.db2.gz YORZKJRIIDBBFW-CQSZACIVSA-N 0 0 248.326 2.218 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2cc(CO)ccn2)cc1 ZINC000035326017 646276326 /nfs/dbraw/zinc/27/63/26/646276326.db2.gz UUYWQPYXHGDHPV-UHFFFAOYSA-N 0 0 230.223 2.149 20 5 BEBDRN CCCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000137063832 711764737 /nfs/dbraw/zinc/76/47/37/711764737.db2.gz MHJRHZJYYRLGBQ-UHFFFAOYSA-N 0 0 241.222 2.265 20 5 BEBDRN CC(C)NC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000149536194 711072243 /nfs/dbraw/zinc/07/22/43/711072243.db2.gz KYJAZASRSJMNNX-UHFFFAOYSA-N 0 0 241.222 2.264 20 5 BEBDRN C[C@@H]1C[C@H]1COc1cc(C=O)ccc1[N+](=O)[O-] ZINC000722674154 711463514 /nfs/dbraw/zinc/46/35/14/711463514.db2.gz LBEYVLZBNNBWJH-SCZZXKLOSA-N 0 0 235.239 2.442 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NCC1CCC1 ZINC000891775358 711545913 /nfs/dbraw/zinc/54/59/13/711545913.db2.gz MOLZGRKRFDXUOH-UHFFFAOYSA-N 0 0 237.259 2.210 20 5 BEBDRN CC(=O)c1ccc(N2CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000706815552 712156700 /nfs/dbraw/zinc/15/67/00/712156700.db2.gz LUKLUDHMTSPGIH-MRVPVSSYSA-N 0 0 234.255 2.396 20 5 BEBDRN CO[C@H]1C[C@@H](CNc2cccc([N+](=O)[O-])c2)C1 ZINC000708927792 712203083 /nfs/dbraw/zinc/20/30/83/712203083.db2.gz URGNRHFHMNRJNT-WVSHTKLVSA-N 0 0 236.271 2.432 20 5 BEBDRN CCCOCOc1ccc(C=O)cc1[N+](=O)[O-] ZINC000709717439 712216975 /nfs/dbraw/zinc/21/69/75/712216975.db2.gz DRJNVVBDSLDABT-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN Cc1ccc(N[C@H]2COC[C@H]2C)c([N+](=O)[O-])c1 ZINC000710863076 712260306 /nfs/dbraw/zinc/26/03/06/712260306.db2.gz GMTYVSZJIIXPEK-KOLCDFICSA-N 0 0 236.271 2.350 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@@H]2C=CCC2)s1 ZINC000711654643 712315091 /nfs/dbraw/zinc/31/50/91/712315091.db2.gz JOBCXGCGGFVDLB-SSDOTTSWSA-N 0 0 225.273 2.429 20 5 BEBDRN Cc1nn(C)c(NC[C@H]2C=CCC2)c1[N+](=O)[O-] ZINC000711720353 712319199 /nfs/dbraw/zinc/31/91/99/712319199.db2.gz SPVXVFWUOHUSFI-VIFPVBQESA-N 0 0 236.275 2.015 20 5 BEBDRN C[C@@H](c1ccccc1F)N(C)CC[N+](=O)[O-] ZINC000791054618 712422278 /nfs/dbraw/zinc/42/22/78/712422278.db2.gz WHJBAIVTCGALHG-VIFPVBQESA-N 0 0 226.251 2.095 20 5 BEBDRN Cc1ccc(COc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000714039106 712477758 /nfs/dbraw/zinc/47/77/58/712477758.db2.gz UABQFWQQPBAOJW-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037285939 712567148 /nfs/dbraw/zinc/56/71/48/712567148.db2.gz PLMWGUVBENHJMP-SSDOTTSWSA-N 0 0 240.234 2.262 20 5 BEBDRN CSCOc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000849907987 712610896 /nfs/dbraw/zinc/61/08/96/712610896.db2.gz IPGJYNGMNRATJV-UHFFFAOYSA-N 0 0 228.273 2.306 20 5 BEBDRN Cc1ccc(OC(=O)OCCF)cc1[N+](=O)[O-] ZINC000859080460 712617551 /nfs/dbraw/zinc/61/75/51/712617551.db2.gz KTHXZPQPMNXFBW-UHFFFAOYSA-N 0 0 243.190 2.388 20 5 BEBDRN Nc1ccc(NC2CCC=CCC2)nc1[N+](=O)[O-] ZINC000718047645 712738815 /nfs/dbraw/zinc/73/88/15/712738815.db2.gz IZASAFGVYFNNRZ-UHFFFAOYSA-N 0 0 248.286 2.483 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C1CCCCC1 ZINC001346198070 957434955 /nfs/dbraw/zinc/43/49/55/957434955.db2.gz RBIBUDLSZRIASZ-SNVBAGLBSA-N 0 0 229.276 2.165 20 5 BEBDRN COc1cc(NCC(C)(F)F)ncc1[N+](=O)[O-] ZINC001154855336 962870910 /nfs/dbraw/zinc/87/09/10/962870910.db2.gz ROXVWWUTEHMNRK-UHFFFAOYSA-N 0 0 247.201 2.066 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCC(C)C ZINC001204923539 965024752 /nfs/dbraw/zinc/02/47/52/965024752.db2.gz PISOWLUBCLSNQY-SECBINFHSA-N 0 0 241.291 2.161 20 5 BEBDRN O=[N+]([O-])c1cnc(NC/C=C\Cl)c(F)c1 ZINC001164303257 965835542 /nfs/dbraw/zinc/83/55/42/965835542.db2.gz PSQCKXPTZNDNDM-UPHRSURJSA-N 0 0 231.614 2.293 20 5 BEBDRN Cc1cccc(NC2CC(=O)C2)c1[N+](=O)[O-] ZINC001167338632 1165914274 /nfs/dbraw/zinc/91/42/74/1165914274.db2.gz GNWNXQSKCYLBPK-UHFFFAOYSA-N 0 0 220.228 2.047 20 5 BEBDRN Nc1cc(N[C@@H]2C[C@@H]3CCC[C@@H]23)ncc1[N+](=O)[O-] ZINC001348346288 1166074351 /nfs/dbraw/zinc/07/43/51/1166074351.db2.gz BTBDDQHCAYQIPA-QXFUBDJGSA-N 0 0 248.286 2.173 20 5 BEBDRN COc1cc(OC(C)C)ccc1[N+](=O)[O-] ZINC000238400700 1166865790 /nfs/dbraw/zinc/86/57/90/1166865790.db2.gz QGVBJEVYPARKJK-UHFFFAOYSA-N 0 0 211.217 2.391 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1N1CC=CC1 ZINC000238574349 1166920256 /nfs/dbraw/zinc/92/02/56/1166920256.db2.gz AJRAQINXOVOUAQ-UHFFFAOYSA-N 0 0 208.192 2.110 20 5 BEBDRN C[C@H](Oc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC001226711553 975044598 /nfs/dbraw/zinc/04/45/98/975044598.db2.gz UEUNRIGZBGESHF-ZETCQYMHSA-N 0 0 208.217 2.167 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1O[C@@H]1C=CCC1 ZINC001226765565 975066252 /nfs/dbraw/zinc/06/62/52/975066252.db2.gz SKZGVHIQXFASID-SNVBAGLBSA-N 0 0 220.228 2.396 20 5 BEBDRN CN(C)c1c[nH]c2c1cccc2[N+](=O)[O-] ZINC000514282315 1167113416 /nfs/dbraw/zinc/11/34/16/1167113416.db2.gz NZNNAGJDTNGNPT-UHFFFAOYSA-N 0 0 205.217 2.142 20 5 BEBDRN CC[C@@H](C)Nc1nccc(OC)c1[N+](=O)[O-] ZINC001168000672 1167134429 /nfs/dbraw/zinc/13/44/29/1167134429.db2.gz SIRNIYYKLSNYDK-SSDOTTSWSA-N 0 0 225.248 2.209 20 5 BEBDRN CCCC[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001595864113 978143802 /nfs/dbraw/zinc/14/38/02/978143802.db2.gz JYZLAWJCCBXFGG-SSDOTTSWSA-N 0 0 240.263 2.083 20 5 BEBDRN Cc1cccc(OC2CC(=O)C2)c1[N+](=O)[O-] ZINC000085505901 1167801998 /nfs/dbraw/zinc/80/19/98/1167801998.db2.gz KATCHKFBZHPBTM-UHFFFAOYSA-N 0 0 221.212 2.014 20 5 BEBDRN Cc1cc(F)c(OC2CC(=O)C2)cc1[N+](=O)[O-] ZINC001234061672 978764616 /nfs/dbraw/zinc/76/46/16/978764616.db2.gz WSOJDYJUXBNLIJ-UHFFFAOYSA-N 0 0 239.202 2.153 20 5 BEBDRN CC[C@@H](C)Oc1nc(OC)ccc1[N+](=O)[O-] ZINC001234878608 978922694 /nfs/dbraw/zinc/92/26/94/978922694.db2.gz IFYYQWUQKBVHID-SSDOTTSWSA-N 0 0 226.232 2.176 20 5 BEBDRN N#CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001168625179 1168343245 /nfs/dbraw/zinc/34/32/45/1168343245.db2.gz GRQWHWLEBZDWBT-UHFFFAOYSA-N 0 0 214.184 2.036 20 5 BEBDRN Cc1cc(C)c(C(=O)OCCC[N+](=O)[O-])s1 ZINC001343886228 980265660 /nfs/dbraw/zinc/26/56/60/980265660.db2.gz FUEMYKIECDFAKX-UHFFFAOYSA-N 0 0 243.284 2.189 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CCC[C@H]1C ZINC001345002590 980515485 /nfs/dbraw/zinc/51/54/85/980515485.db2.gz YARLOMUDKRHRBK-OUAUKWLOSA-N 0 0 243.303 2.411 20 5 BEBDRN O=[N+]([O-])c1ncccc1CSc1ncc[nH]1 ZINC001188848466 980713893 /nfs/dbraw/zinc/71/38/93/980713893.db2.gz HPSOENKSWMORQY-UHFFFAOYSA-N 0 0 236.256 2.005 20 5 BEBDRN C[C@H](COC(=O)[C@@H]1CCC=CCCC1)[N+](=O)[O-] ZINC001348532989 981382344 /nfs/dbraw/zinc/38/23/44/981382344.db2.gz HFQQCMLSNDAYJG-GHMZBOCLSA-N 0 0 241.287 2.331 20 5 BEBDRN C[C@H](C[N+](C)(C)C)Oc1cccc([S-])c1 ZINC001226014092 974763093 /nfs/dbraw/zinc/76/30/93/974763093.db2.gz PAWJSZDASQEIAW-SNVBAGLBSA-O 0 0 226.365 2.449 20 5 BEBDRN CC(C)Cc1nnc(-c2ccc([N+](=O)[O-])o2)o1 ZINC001256408066 970815619 /nfs/dbraw/zinc/81/56/19/970815619.db2.gz WSIPKFPAHDGTSR-UHFFFAOYSA-N 0 0 237.215 2.436 20 5 BEBDRN C[C@@H]1C[C@H]1c1nnc(-c2ccc([N+](=O)[O-])nc2)o1 ZINC001256619503 970883904 /nfs/dbraw/zinc/88/39/04/970883904.db2.gz XHTCKKMEEVNKIL-HTRCEHHLSA-N 0 0 246.226 2.163 20 5 BEBDRN Nc1ccc(N2CCC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC000804780975 970905394 /nfs/dbraw/zinc/90/53/94/970905394.db2.gz GUTYILQSASKTFM-GZMMTYOYSA-N 0 0 233.271 2.166 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(Nc2ccnnc2)c1 ZINC001216481204 971094279 /nfs/dbraw/zinc/09/42/79/971094279.db2.gz HYEOCBKFFXRBCZ-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=c1cc[nH]cc1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216482041 971095166 /nfs/dbraw/zinc/09/51/66/971095166.db2.gz QXAVPNXYCPZSDZ-UHFFFAOYSA-N 0 0 249.201 2.166 20 5 BEBDRN C[C@@H](OCCCCO)c1ccccc1[N+](=O)[O-] ZINC001217879220 971475193 /nfs/dbraw/zinc/47/51/93/971475193.db2.gz QVFKCEFBPMHWEW-SNVBAGLBSA-N 0 0 239.271 2.445 20 5 BEBDRN CO[C@H](C)c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001257705722 971492535 /nfs/dbraw/zinc/49/25/35/971492535.db2.gz MJVJLJMBTBZNGX-SSDOTTSWSA-N 0 0 249.226 2.352 20 5 BEBDRN Cc1[nH]c(=O)cc(O[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC001228686546 1169639489 /nfs/dbraw/zinc/63/94/89/1169639489.db2.gz OEGIZYOUCARMLY-SSDOTTSWSA-N 0 0 238.243 2.181 20 5 BEBDRN Cc1[nH]c(=O)cc(O[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC001228686547 1169639600 /nfs/dbraw/zinc/63/96/00/1169639600.db2.gz OEGIZYOUCARMLY-ZETCQYMHSA-N 0 0 238.243 2.181 20 5 BEBDRN Cc1cc(F)cc([N+](=O)[O-])c1OC[C@@H]1CCO1 ZINC001229199691 1169651545 /nfs/dbraw/zinc/65/15/45/1169651545.db2.gz XILPGEFGLGVAAB-VIFPVBQESA-N 0 0 241.218 2.210 20 5 BEBDRN CCC=CNc1nc([N+](=O)[O-])ccc1OC ZINC001170767369 971767285 /nfs/dbraw/zinc/76/72/85/971767285.db2.gz IBGQLRFUYQHWAY-QPJJXVBHSA-N 0 0 223.232 2.334 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)c(O[C@H]2C[C@@H](O)C2)c1 ZINC001218414879 971788984 /nfs/dbraw/zinc/78/89/84/971788984.db2.gz DLQOVFLQGRFDTD-OCAPTIKFSA-N 0 0 243.646 2.150 20 5 BEBDRN Cc1cc(C)c(O[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001218417658 971791711 /nfs/dbraw/zinc/79/17/11/971791711.db2.gz RAVXLIRMNXDKMT-AOOOYVTPSA-N 0 0 237.255 2.114 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(OC[C@H]2C[C@@H](O)C2)cc1 ZINC001218434043 971813921 /nfs/dbraw/zinc/81/39/21/971813921.db2.gz ZQGLEQKAQJDTOO-MTJJXUSZSA-N 0 0 249.266 2.084 20 5 BEBDRN O=c1cc[nH]cc1Nc1cccc([N+](=O)[O-])c1F ZINC001210379573 957736325 /nfs/dbraw/zinc/73/63/25/957736325.db2.gz CAFQDIVITXGFPM-UHFFFAOYSA-N 0 0 249.201 2.166 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C1CC1 ZINC000402456624 958230312 /nfs/dbraw/zinc/23/03/12/958230312.db2.gz UXJRLXAWSKZNPE-LLVKDONJSA-N 0 0 237.255 2.053 20 5 BEBDRN Cc1ccccc1-c1nnc([C@@H]2CC2[N+](=O)[O-])o1 ZINC001327026066 972370436 /nfs/dbraw/zinc/37/04/36/972370436.db2.gz AOIOYIUHKJCYGS-NXEZZACHSA-N 0 0 245.238 2.178 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccsc1C ZINC001349804823 958830955 /nfs/dbraw/zinc/83/09/55/958830955.db2.gz BVAANKWPDOGASO-QMMMGPOBSA-N 0 0 243.284 2.269 20 5 BEBDRN CC(=O)CNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001167629851 959137365 /nfs/dbraw/zinc/13/73/65/959137365.db2.gz ACANDJRTHSKVSR-UHFFFAOYSA-N 0 0 233.227 2.077 20 5 BEBDRN CC(C)O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001204605488 959246022 /nfs/dbraw/zinc/24/60/22/959246022.db2.gz UHARQRVYEMPMFD-LBPRGKRZSA-N 0 0 221.256 2.487 20 5 BEBDRN CC1(C)CC[C@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000695467081 960264374 /nfs/dbraw/zinc/26/43/74/960264374.db2.gz FINHPRFAOMDUQG-MRVPVSSYSA-N 0 0 237.259 2.296 20 5 BEBDRN O=[N+]([O-])C[C@H](OCc1ccco1)c1cccnc1 ZINC001223053687 961001411 /nfs/dbraw/zinc/00/14/11/961001411.db2.gz FQNCNALIZLEHQF-LBPRGKRZSA-N 0 0 248.238 2.209 20 5 BEBDRN N=CNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001167864529 961334087 /nfs/dbraw/zinc/33/40/87/961334087.db2.gz OCUXZEHDWWJWSA-UHFFFAOYSA-N 0 0 234.190 2.301 20 5 BEBDRN N=CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001167869671 961370519 /nfs/dbraw/zinc/37/05/19/961370519.db2.gz ZCGCRJALFAPPFY-UHFFFAOYSA-N 0 0 216.200 2.162 20 5 BEBDRN O=[N+]([O-])c1cccc(O[C@@H]2CCCOC2)c1F ZINC001225794208 962830100 /nfs/dbraw/zinc/83/01/00/962830100.db2.gz KVKNOPLPLSFHRM-MRVPVSSYSA-N 0 0 241.218 2.292 20 5 BEBDRN CC(F)(F)CNc1cccc([N+](=O)[O-])n1 ZINC001154855037 962872321 /nfs/dbraw/zinc/87/23/21/962872321.db2.gz MCPVEWAQIDPMDE-UHFFFAOYSA-N 0 0 217.175 2.057 20 5 BEBDRN COc1ccnc(NCC(C)(C)C)c1[N+](=O)[O-] ZINC001161636546 962908795 /nfs/dbraw/zinc/90/87/95/962908795.db2.gz GEMCFZAACKCWFM-UHFFFAOYSA-N 0 0 239.275 2.456 20 5 BEBDRN CC(C)(Nc1cc(N)c([N+](=O)[O-])cn1)C1CC1 ZINC001155066199 962951890 /nfs/dbraw/zinc/95/18/90/962951890.db2.gz FERPWPXOKRMJRC-UHFFFAOYSA-N 0 0 236.275 2.173 20 5 BEBDRN CC(C)(C)C(=N)Nc1cc([N+](=O)[O-])ccn1 ZINC001155176213 962999249 /nfs/dbraw/zinc/99/92/49/962999249.db2.gz UXIJFGUBLLZNEN-UHFFFAOYSA-N 0 0 222.248 2.425 20 5 BEBDRN CC[C@@H](C)Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001167997629 963191713 /nfs/dbraw/zinc/19/17/13/963191713.db2.gz DEKQLNIWOKANTL-ZCFIWIBFSA-N 0 0 235.247 2.077 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1ccc2cnoc2c1)C1CC1 ZINC001226449251 963194055 /nfs/dbraw/zinc/19/40/55/963194055.db2.gz OQXKTPLZRPZIGC-GFCCVEGCSA-N 0 0 248.238 2.262 20 5 BEBDRN CC1=C[C@H](Oc2cccc([N+](=O)[O-])c2)CC(=O)O1 ZINC001226763574 963338183 /nfs/dbraw/zinc/33/81/83/963338183.db2.gz WPLPAAVMORSTIM-NSHDSACASA-N 0 0 249.222 2.193 20 5 BEBDRN N#CNc1cc([N+](=O)[O-])cc2c(Cl)ncnc12 ZINC001157826025 963741555 /nfs/dbraw/zinc/74/15/55/963741555.db2.gz FOZPBAHFGBSSPU-UHFFFAOYSA-N 0 0 249.617 2.084 20 5 BEBDRN CC(C)OCCCNc1cccc([N+](=O)[O-])n1 ZINC001157867623 963750623 /nfs/dbraw/zinc/75/06/23/963750623.db2.gz PBRFYMIQPDZPPM-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN CCCNc1ncc(OCC)cc1[N+](=O)[O-] ZINC001168131135 963816990 /nfs/dbraw/zinc/81/69/90/963816990.db2.gz ZLBWLMCZJNHIBU-UHFFFAOYSA-N 0 0 225.248 2.210 20 5 BEBDRN O=[N+]([O-])c1ccc(O)c(OC2CC=CC2)c1 ZINC001229398651 964118660 /nfs/dbraw/zinc/11/86/60/964118660.db2.gz XIFOFSHYZLCFMG-UHFFFAOYSA-N 0 0 221.212 2.398 20 5 BEBDRN CC(C)C[C@H](C)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229451476 964125359 /nfs/dbraw/zinc/12/53/59/964125359.db2.gz GDJUOURPZQNOMS-VIFPVBQESA-N 0 0 240.259 2.042 20 5 BEBDRN CC(C)CNc1cnc(F)c([N+](=O)[O-])c1 ZINC001161650943 964664478 /nfs/dbraw/zinc/66/44/78/964664478.db2.gz KLROVMWXZAGOAM-UHFFFAOYSA-N 0 0 213.212 2.197 20 5 BEBDRN Nc1cc(N[C@H]2CC=CCC2)ncc1[N+](=O)[O-] ZINC001161752775 964737080 /nfs/dbraw/zinc/73/70/80/964737080.db2.gz SMZJGXNNCCTDGU-QMMMGPOBSA-N 0 0 234.259 2.093 20 5 BEBDRN CCc1coc(CNc2ccc([N+](=O)[O-])cn2)n1 ZINC001162134756 964851496 /nfs/dbraw/zinc/85/14/96/964851496.db2.gz TUJOZXRTIBIBIJ-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C=CCC1 ZINC000698293767 965186552 /nfs/dbraw/zinc/18/65/52/965186552.db2.gz OHZBTXZWAUBWOZ-VIFPVBQESA-N 0 0 236.275 2.250 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1C=CCC1 ZINC000698296771 965188368 /nfs/dbraw/zinc/18/83/68/965188368.db2.gz XKGBNBUYLJPDTA-SECBINFHSA-N 0 0 236.275 2.250 20 5 BEBDRN CCN(C)c1ncc([N+](=O)[O-])cc1Cl ZINC001163579388 965459743 /nfs/dbraw/zinc/45/97/43/965459743.db2.gz DXCKSFIFRAIGCP-UHFFFAOYSA-N 0 0 215.640 2.099 20 5 BEBDRN CCCN(CC)c1ncc(OC)cc1[N+](=O)[O-] ZINC001163602040 965476839 /nfs/dbraw/zinc/47/68/39/965476839.db2.gz PFXYVIZSHCFKAV-UHFFFAOYSA-N 0 0 239.275 2.235 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N(C)C(C)C ZINC001163619596 965478118 /nfs/dbraw/zinc/47/81/18/965478118.db2.gz XGIUMXCJLPPAFH-UHFFFAOYSA-N 0 0 209.249 2.143 20 5 BEBDRN Cc1ccnc(N(C)C(C)C)c1[N+](=O)[O-] ZINC001163619422 965482262 /nfs/dbraw/zinc/48/22/62/965482262.db2.gz RHOYVWAFIYUUCS-UHFFFAOYSA-N 0 0 209.249 2.143 20 5 BEBDRN CC[C@@H](COc1c(C)ccnc1[N+](=O)[O-])OC ZINC001233554765 965518738 /nfs/dbraw/zinc/51/87/38/965518738.db2.gz AQZMZFYJUJVQHS-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN CC1(C)CN(c2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001163724701 965540878 /nfs/dbraw/zinc/54/08/78/965540878.db2.gz OIBSWCRIHFXJKD-UHFFFAOYSA-N 0 0 241.678 2.489 20 5 BEBDRN COc1ccc(Oc2ccc([N+](=O)[O-])cn2)cn1 ZINC001163796442 965595522 /nfs/dbraw/zinc/59/55/22/965595522.db2.gz JHBGXKBCMFLDRR-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN O=[N+]([O-])c1c[nH]c2ccc(N3CCCCO3)nc21 ZINC001163927377 965637929 /nfs/dbraw/zinc/63/79/29/965637929.db2.gz MZDZUPHBFYSPHR-UHFFFAOYSA-N 0 0 248.242 2.003 20 5 BEBDRN CC(C)(C)C(=O)CNc1ccc([N+](=O)[O-])cn1 ZINC001163998868 965682779 /nfs/dbraw/zinc/68/27/79/965682779.db2.gz XFVDDEAABFYGEH-UHFFFAOYSA-N 0 0 237.259 2.017 20 5 BEBDRN CCCO[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001205090487 965703185 /nfs/dbraw/zinc/70/31/85/965703185.db2.gz BURFKAABTSPBDW-GFCCVEGCSA-N 0 0 221.256 2.489 20 5 BEBDRN CC1CC(N(C)c2cccc([N+](=O)[O-])n2)C1 ZINC001164195077 965790242 /nfs/dbraw/zinc/79/02/42/965790242.db2.gz HNDVTHDPXYCOBP-UHFFFAOYSA-N 0 0 221.260 2.225 20 5 BEBDRN Cc1cnc(NCCn2cccc2)cc1[N+](=O)[O-] ZINC001164452239 965887966 /nfs/dbraw/zinc/88/79/66/965887966.db2.gz BONMZACXPOUHLS-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN CC1(F)CN(c2cc(Cl)cc([N+](=O)[O-])n2)C1 ZINC001164586139 965927991 /nfs/dbraw/zinc/92/79/91/965927991.db2.gz WFZTYEFLLKIBBP-UHFFFAOYSA-N 0 0 245.641 2.191 20 5 BEBDRN C[C@@H](CCO)Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001165905620 966197339 /nfs/dbraw/zinc/19/73/39/966197339.db2.gz PCHONHVDKBBFQK-QMMMGPOBSA-N 0 0 249.270 2.259 20 5 BEBDRN COc1cnc(N(C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001166530077 966286800 /nfs/dbraw/zinc/28/68/00/966286800.db2.gz OBQKGSUBDUCOQH-UHFFFAOYSA-N 0 0 239.275 2.233 20 5 BEBDRN O=[N+]([O-])c1nccn1Cc1ccccc1Cl ZINC001166681881 966365414 /nfs/dbraw/zinc/36/54/14/966365414.db2.gz AFCZYRXLUAMDQR-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN Cc1cc(Nc2ccc([N+](=O)[O-])nc2)no1 ZINC001203560755 966689088 /nfs/dbraw/zinc/68/90/88/966689088.db2.gz OSZDBMDZLHPGGH-UHFFFAOYSA-N 0 0 220.188 2.030 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccc(CO)cc2)cn1 ZINC001203571995 966693772 /nfs/dbraw/zinc/69/37/72/966693772.db2.gz QVSZYDWGGXYLJO-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN CC(=O)[C@H](C)O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001205234080 966926079 /nfs/dbraw/zinc/92/60/79/966926079.db2.gz VNVCQYBOMTUCIH-TVQRCGJNSA-N 0 0 249.266 2.056 20 5 BEBDRN CC(=O)[C@@H](C)O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001205234078 966928460 /nfs/dbraw/zinc/92/84/60/966928460.db2.gz VNVCQYBOMTUCIH-NOZJJQNGSA-N 0 0 249.266 2.056 20 5 BEBDRN Cc1nc(Nc2cccc([N+](=O)[O-])c2)cc(=O)[nH]1 ZINC001204415763 966994665 /nfs/dbraw/zinc/99/46/65/966994665.db2.gz NQJGYPCMJJWBOI-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2cccnc2CO)c1 ZINC001204439313 966998004 /nfs/dbraw/zinc/99/80/04/966998004.db2.gz BYNSNGZKUMKLNH-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN N#CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC001168631041 967141959 /nfs/dbraw/zinc/14/19/59/967141959.db2.gz JONVQZOKVQQYLJ-UHFFFAOYSA-N 0 0 214.184 2.036 20 5 BEBDRN C[C@H](Nc1c[n+]([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC001168685199 967324603 /nfs/dbraw/zinc/32/46/03/967324603.db2.gz WLFWUSMSJXBDCR-QMMMGPOBSA-N 0 0 239.275 2.075 20 5 BEBDRN C[C@@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000132281024 967528703 /nfs/dbraw/zinc/52/87/03/967528703.db2.gz HAOMAHDGPKYGAZ-RNFRBKRXSA-N 0 0 248.242 2.199 20 5 BEBDRN CCCCNc1nc([N+](=O)[O-])ccc1OC ZINC001162204097 967731881 /nfs/dbraw/zinc/73/18/81/967731881.db2.gz KKQDUIFLLLPFSX-UHFFFAOYSA-N 0 0 225.248 2.210 20 5 BEBDRN CCCCNc1cnc([N+](=O)[O-])c(OC)c1 ZINC001162205866 967739326 /nfs/dbraw/zinc/73/93/26/967739326.db2.gz SBOYQZGKPYGYKV-UHFFFAOYSA-N 0 0 225.248 2.210 20 5 BEBDRN C[C@@H](O)CO[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001205778654 967819734 /nfs/dbraw/zinc/81/97/34/967819734.db2.gz RCIDQXLEWSWTLZ-RKDXNWHRSA-N 0 0 225.244 2.053 20 5 BEBDRN COc1nccnc1Nc1ccccc1[N+](=O)[O-] ZINC001206144408 968085185 /nfs/dbraw/zinc/08/51/85/968085185.db2.gz KOAGWGGYPUBECE-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN Cc1cc(Nc2ccc([N+](=O)[O-])cc2)nn1C ZINC000091628717 968148041 /nfs/dbraw/zinc/14/80/41/968148041.db2.gz JMFPOIAZENABEG-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C=CCC2)c2nonc21 ZINC000698314452 968196182 /nfs/dbraw/zinc/19/61/82/968196182.db2.gz VSIBEEYUCVQQDS-SSDOTTSWSA-N 0 0 246.226 2.262 20 5 BEBDRN Cc1c(N[C@H](C)CCO)cc(F)cc1[N+](=O)[O-] ZINC001165905648 968303771 /nfs/dbraw/zinc/30/37/71/968303771.db2.gz PKEWYPBLCUKOPS-SSDOTTSWSA-N 0 0 242.250 2.225 20 5 BEBDRN Cc1nnc(CCc2ccc([N+](=O)[O-])cc2)o1 ZINC001253370137 969140755 /nfs/dbraw/zinc/14/07/55/969140755.db2.gz LDQWCOASXFHGDD-UHFFFAOYSA-N 0 0 233.227 2.071 20 5 BEBDRN Cc1nnc(Cc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC001253410399 969166475 /nfs/dbraw/zinc/16/64/75/969166475.db2.gz RAKACKAAGSIYEM-UHFFFAOYSA-N 0 0 233.227 2.185 20 5 BEBDRN Cc1nnc(-c2cc(F)cc(F)c2[N+](=O)[O-])o1 ZINC001253462891 969184908 /nfs/dbraw/zinc/18/49/08/969184908.db2.gz CNPXBXSPOGUPEV-UHFFFAOYSA-N 0 0 241.153 2.231 20 5 BEBDRN Cc1cncnc1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209934702 969697489 /nfs/dbraw/zinc/69/74/89/969697489.db2.gz RRFBMMGNNVFFCD-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN Nc1ccc(Nc2cnccc2F)cc1[N+](=O)[O-] ZINC001209935113 969698080 /nfs/dbraw/zinc/69/80/80/969698080.db2.gz VISDFDFIZGFWSQ-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN C[C@H](Cc1ccccc1[N+](=O)[O-])N1CC(F)C1 ZINC001254551149 969738693 /nfs/dbraw/zinc/73/86/93/969738693.db2.gz YZQYSMZOHMIJAO-SECBINFHSA-N 0 0 238.262 2.180 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1[CH]CC=C1)C2 ZINC001254589195 969743372 /nfs/dbraw/zinc/74/33/72/969743372.db2.gz NNAWQYGHHLFCQI-STQMWFEESA-N 0 0 243.286 2.184 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1=CC=C[CH]1)C2 ZINC001254583194 969744848 /nfs/dbraw/zinc/74/48/48/969744848.db2.gz YJFQLUSUDITNPX-CYBMUJFWSA-N 0 0 241.270 2.310 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2ccccn2)ccc1O ZINC001210392164 969881589 /nfs/dbraw/zinc/88/15/89/969881589.db2.gz CMDLURLUJHTDEZ-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Nc1ccn(C)n1 ZINC001210443887 969889210 /nfs/dbraw/zinc/88/92/10/969889210.db2.gz QPADUADUFKQQME-UHFFFAOYSA-N 0 0 248.242 2.081 20 5 BEBDRN O=[N+]([O-])c1cncc(-c2nnc(C3CCC3)o2)c1 ZINC001255232791 970012119 /nfs/dbraw/zinc/01/21/19/970012119.db2.gz KWLFNGCZXOMXMX-UHFFFAOYSA-N 0 0 246.226 2.307 20 5 BEBDRN Nc1cncc(Nc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001210951288 970086207 /nfs/dbraw/zinc/08/62/07/970086207.db2.gz AZGYWZKRQXWWSN-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN Cc1nonc1Nc1cc([N+](=O)[O-])ccc1C ZINC001211285728 970215556 /nfs/dbraw/zinc/21/55/56/970215556.db2.gz JGMNVVCAFAAALJ-UHFFFAOYSA-N 0 0 234.215 2.338 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1cn[nH]c(=O)c1 ZINC001211287739 970217479 /nfs/dbraw/zinc/21/74/79/970217479.db2.gz USCAPKRZROTAOX-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1ccc(Nc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC001213660118 970368661 /nfs/dbraw/zinc/36/86/61/970368661.db2.gz RIDZWXIMECQXHL-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Cc1c(OC[C@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000302375663 970431117 /nfs/dbraw/zinc/43/11/17/970431117.db2.gz MFMTZGQCOQCFNS-NSHDSACASA-N 0 0 239.271 2.299 20 5 BEBDRN Cc1ccc(Nc2ncccn2)c([N+](=O)[O-])c1 ZINC001214165517 970442841 /nfs/dbraw/zinc/44/28/41/970442841.db2.gz VWWQBKIZLXSNAT-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ccc(Nc2cccnn2)c([N+](=O)[O-])c1 ZINC001214165549 970445554 /nfs/dbraw/zinc/44/55/54/970445554.db2.gz XIEBUBPVJWGZKN-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ccc(Nc2cn[nH]c(=O)c2)c([N+](=O)[O-])c1 ZINC001214167731 970447310 /nfs/dbraw/zinc/44/73/10/970447310.db2.gz VBQUQBMLHVEAAN-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN O=[N+]([O-])c1sccc1NC[C@H]1CCOC1 ZINC000063258425 970733288 /nfs/dbraw/zinc/73/32/88/970733288.db2.gz FJJQIOSTBZFXLW-SSDOTTSWSA-N 0 0 228.273 2.105 20 5 BEBDRN O=[N+]([O-])c1ccccc1CO[C@@H]1CCCOC1 ZINC001222759409 972687626 /nfs/dbraw/zinc/68/76/26/972687626.db2.gz FOOOUXLHTJVIKD-LLVKDONJSA-N 0 0 237.255 2.290 20 5 BEBDRN CC[C@H](Nc1ncc([N+](=O)[O-])c(C)n1)C1CC1 ZINC001327708421 972705639 /nfs/dbraw/zinc/70/56/39/972705639.db2.gz KOFCGLNHCOPDAI-VIFPVBQESA-N 0 0 236.275 2.294 20 5 BEBDRN Cc1ccc(COC2CC(=O)C2)cc1[N+](=O)[O-] ZINC001223226281 972892150 /nfs/dbraw/zinc/89/21/50/972892150.db2.gz VZBWCADATKLDLM-UHFFFAOYSA-N 0 0 235.239 2.151 20 5 BEBDRN COCc1nnc(-c2cc([N+](=O)[O-])ccc2C)o1 ZINC001328447455 973063626 /nfs/dbraw/zinc/06/36/26/973063626.db2.gz OCVXAQYHRZFIJO-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN CC(=O)[C@@H](C)OCc1cccc(C)c1[N+](=O)[O-] ZINC001223661369 973219204 /nfs/dbraw/zinc/21/92/04/973219204.db2.gz PAEAULZQHUNQQX-SNVBAGLBSA-N 0 0 237.255 2.397 20 5 BEBDRN C[C@H]1C[C@@H]1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC001328847645 973371333 /nfs/dbraw/zinc/37/13/33/973371333.db2.gz GWHQOSWDPGTWDV-NKWVEPMBSA-N 0 0 241.268 2.469 20 5 BEBDRN C[C@@H]1C[C@H]1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC001328847648 973371497 /nfs/dbraw/zinc/37/14/97/973371497.db2.gz GWHQOSWDPGTWDV-RQJHMYQMSA-N 0 0 241.268 2.469 20 5 BEBDRN C[C@H]1C[C@H]1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC001328847643 973373280 /nfs/dbraw/zinc/37/32/80/973373280.db2.gz GWHQOSWDPGTWDV-BQBZGAKWSA-N 0 0 241.268 2.469 20 5 BEBDRN C[C@@H](OC1CC(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC001224021640 973409785 /nfs/dbraw/zinc/40/97/85/973409785.db2.gz AXSYYCQJJFJMNN-MRVPVSSYSA-N 0 0 235.239 2.404 20 5 BEBDRN CC[C@H](C)OCc1ccc([N+](=O)[O-])nc1 ZINC001224108857 973450997 /nfs/dbraw/zinc/45/09/97/973450997.db2.gz LVFYDFMPWBXKGO-QMMMGPOBSA-N 0 0 210.233 2.305 20 5 BEBDRN O=[N+]([O-])c1ccc(COC2CCC2)cn1 ZINC001224109098 973452616 /nfs/dbraw/zinc/45/26/16/973452616.db2.gz NLCAMLHSGMHWJA-UHFFFAOYSA-N 0 0 208.217 2.059 20 5 BEBDRN O=[N+]([O-])c1cc(OCCF)c(F)cc1F ZINC001329533138 973815751 /nfs/dbraw/zinc/81/57/51/973815751.db2.gz YKIUVIGNVGNBKL-UHFFFAOYSA-N 0 0 221.134 2.221 20 5 BEBDRN Cc1nc(N[C@@H]2CC=CC[C@H]2C)ncc1[N+](=O)[O-] ZINC001333875004 1169972569 /nfs/dbraw/zinc/97/25/69/1169972569.db2.gz ZSVOALBHPHSJLA-PSASIEDQSA-N 0 0 248.286 2.460 20 5 BEBDRN O=c1cc(Nc2ccccc2[N+](=O)[O-])cc[nH]1 ZINC001206140310 974092116 /nfs/dbraw/zinc/09/21/16/974092116.db2.gz PRYFHKMZJNXDIV-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN COc1ccccc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001225215559 974243571 /nfs/dbraw/zinc/24/35/71/974243571.db2.gz OFYFROXHKZZXNK-GFCCVEGCSA-N 0 0 237.255 2.129 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1ccc(F)cc1)C1CC1 ZINC001225248462 974306576 /nfs/dbraw/zinc/30/65/76/974306576.db2.gz XNPXNJOJVJHSFN-LLVKDONJSA-N 0 0 225.219 2.260 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[C@@H](C)C1 ZINC001330860267 974507647 /nfs/dbraw/zinc/50/76/47/974507647.db2.gz FAVHGIAMIXJHAE-SCZZXKLOSA-N 0 0 235.287 2.321 20 5 BEBDRN O=[N+]([O-])c1cccnc1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001225592431 974579839 /nfs/dbraw/zinc/57/98/39/974579839.db2.gz GSFITTVKPQZTHA-AYMMMOKOSA-N 0 0 220.228 2.167 20 5 BEBDRN CCC(=O)[C@H](CC)Oc1ncccc1[N+](=O)[O-] ZINC001225593768 974581272 /nfs/dbraw/zinc/58/12/72/974581272.db2.gz YFIUWRLWDURQIQ-JTQLQIEISA-N 0 0 238.243 2.126 20 5 BEBDRN CCCOC[C@H](C)Oc1cccnc1[N+](=O)[O-] ZINC001225629109 974605868 /nfs/dbraw/zinc/60/58/68/974605868.db2.gz DUDMRHQKMLREBA-VIFPVBQESA-N 0 0 240.259 2.184 20 5 BEBDRN CC[C@H](COC)Oc1cc(C)c([N+](=O)[O-])cn1 ZINC001225662904 974631806 /nfs/dbraw/zinc/63/18/06/974631806.db2.gz OQDDHDDXMMSYEZ-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN CO[C@H](C)CCOc1cc(C)c([N+](=O)[O-])cn1 ZINC001225664025 974631841 /nfs/dbraw/zinc/63/18/41/974631841.db2.gz WPWGOYWTRAVVBF-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCCOC2)c1 ZINC001225681878 974641578 /nfs/dbraw/zinc/64/15/78/974641578.db2.gz FRHLAXSZHLMFPS-SNVBAGLBSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC2CC3(COC3)C2)c1 ZINC001225684383 974643769 /nfs/dbraw/zinc/64/37/69/974643769.db2.gz ZKYYCNPMGAXXJB-UHFFFAOYSA-N 0 0 249.266 2.461 20 5 BEBDRN COC[C@H](C)Oc1cccc([N+](=O)[O-])c1F ZINC001225794145 974685154 /nfs/dbraw/zinc/68/51/54/974685154.db2.gz IXSAOVWXBYCIEI-ZETCQYMHSA-N 0 0 229.207 2.148 20 5 BEBDRN CCO[C@H](C)COc1c(O)cccc1[N+](=O)[O-] ZINC001226341737 974864239 /nfs/dbraw/zinc/86/42/39/974864239.db2.gz TUGZUCKRXSSQBG-MRVPVSSYSA-N 0 0 241.243 2.104 20 5 BEBDRN COC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001331940059 974878489 /nfs/dbraw/zinc/87/84/89/974878489.db2.gz UKMMMOGJUFYFSX-UHFFFAOYSA-N 0 0 238.243 2.186 20 5 BEBDRN C[C@@H]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226734002 975052432 /nfs/dbraw/zinc/05/24/32/975052432.db2.gz VOLCYPXVHSPTHX-PSASIEDQSA-N 0 0 237.259 2.342 20 5 BEBDRN CC(=O)[C@@H](C)Oc1c(F)cc([N+](=O)[O-])cc1F ZINC001226743626 975053797 /nfs/dbraw/zinc/05/37/97/975053797.db2.gz DZEPFUXYQGAIAR-ZCFIWIBFSA-N 0 0 245.181 2.229 20 5 BEBDRN COC[C@H](C)Oc1c(F)cc([N+](=O)[O-])cc1F ZINC001226743283 975054856 /nfs/dbraw/zinc/05/48/56/975054856.db2.gz BGTUWICKMKQEBT-LURJTMIESA-N 0 0 247.197 2.287 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1OC1CC(F)(F)C1 ZINC001226757018 975061204 /nfs/dbraw/zinc/06/12/04/975061204.db2.gz VDCJAANFJJZMTR-UHFFFAOYSA-N 0 0 248.160 2.305 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1OC1CC(F)(F)C1 ZINC001226760646 975061786 /nfs/dbraw/zinc/06/17/86/975061786.db2.gz BYZYIJRONFXRDR-UHFFFAOYSA-N 0 0 244.197 2.475 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1OC1CC=CC1 ZINC001226757598 975061825 /nfs/dbraw/zinc/06/18/25/975061825.db2.gz WGWFIPIFTYOFEU-UHFFFAOYSA-N 0 0 224.191 2.226 20 5 BEBDRN O=C1CCCC[C@H]1Oc1cccc([N+](=O)[O-])c1 ZINC001226766991 975068228 /nfs/dbraw/zinc/06/82/28/975068228.db2.gz GJRLEWLRCKKXFJ-GFCCVEGCSA-N 0 0 235.239 2.485 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC1CCOCC1 ZINC001226969598 975194464 /nfs/dbraw/zinc/19/44/64/975194464.db2.gz QUAALLCQRKWMGS-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1O[C@@H]1CCCOC1 ZINC001226968645 975196306 /nfs/dbraw/zinc/19/63/06/975196306.db2.gz HLHLLBMZENGLDZ-SNVBAGLBSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC[C@H]1CCO1 ZINC001226994647 975213090 /nfs/dbraw/zinc/21/30/90/975213090.db2.gz FZIXCKQGECYIHU-SNVBAGLBSA-N 0 0 223.228 2.071 20 5 BEBDRN CC[C@@H](C)Oc1ccc(C)nc1[N+](=O)[O-] ZINC001227217761 975315419 /nfs/dbraw/zinc/31/54/19/975315419.db2.gz CWZBHOSQDHTNPJ-MRVPVSSYSA-N 0 0 210.233 2.476 20 5 BEBDRN Cc1c(O)cccc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001227432062 975410766 /nfs/dbraw/zinc/41/07/66/975410766.db2.gz SZVWBBLSZZYBHA-GFCCVEGCSA-N 0 0 237.255 2.135 20 5 BEBDRN CC(=O)c1ccc(O[C@@H](C[N+](=O)[O-])C2CC2)cc1 ZINC001227465219 975445339 /nfs/dbraw/zinc/44/53/39/975445339.db2.gz UJYLYUXFCHURRT-ZDUSSCGKSA-N 0 0 249.266 2.323 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2CCOC[C@@H]2F)cc1 ZINC001227523466 975501917 /nfs/dbraw/zinc/50/19/17/975501917.db2.gz JZZJMHLNSUWWFR-QWRGUYRKSA-N 0 0 241.218 2.101 20 5 BEBDRN CC1=C(Oc2ccc([N+](=O)[O-])cc2)C(=O)O[C@@H]1C ZINC001227522910 975502034 /nfs/dbraw/zinc/50/20/34/975502034.db2.gz AQTYAIHTSJYHSR-MRVPVSSYSA-N 0 0 249.222 2.193 20 5 BEBDRN C[C@@H]1COCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC001227523489 975504382 /nfs/dbraw/zinc/50/43/82/975504382.db2.gz KHYOFPLFNZQOKA-SKDRFNHKSA-N 0 0 237.255 2.399 20 5 BEBDRN O=[N+]([O-])c1cncc(OC2CCSCC2)c1 ZINC001227987816 975834134 /nfs/dbraw/zinc/83/41/34/975834134.db2.gz KESRALJSZQTFSM-UHFFFAOYSA-N 0 0 240.284 2.264 20 5 BEBDRN O=[N+]([O-])c1cncc(O[C@H]2C=CCC2)c1 ZINC001227989039 975835515 /nfs/dbraw/zinc/83/55/15/975835515.db2.gz BFWLJJZTWQGGGH-VIFPVBQESA-N 0 0 206.201 2.087 20 5 BEBDRN CO[C@H](C)COc1nccc(Cl)c1[N+](=O)[O-] ZINC001228015874 975854385 /nfs/dbraw/zinc/85/43/85/975854385.db2.gz YJSUCTQOEKPAIB-ZCFIWIBFSA-N 0 0 246.650 2.057 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(F)c(O[C@@H]2CCOC2)c1 ZINC001228025495 975857202 /nfs/dbraw/zinc/85/72/02/975857202.db2.gz STKUKMLFJGFMMR-SSDOTTSWSA-N 0 0 245.181 2.041 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC[C@H]1C=CCC1 ZINC001333578464 975862370 /nfs/dbraw/zinc/86/23/70/975862370.db2.gz CVEZSGSFZOPIIW-JTQLQIEISA-N 0 0 233.271 2.098 20 5 BEBDRN Cc1nc(N2C[C@@H]3CCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001333721344 976034478 /nfs/dbraw/zinc/03/44/78/976034478.db2.gz LGYFLTVJRGUCNT-UWVGGRQHSA-N 0 0 248.286 2.072 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H](F)C1 ZINC001333764625 976068212 /nfs/dbraw/zinc/06/82/12/976068212.db2.gz MPSAKQMXPUEEQE-HTQZYQBOSA-N 0 0 242.254 2.021 20 5 BEBDRN C[C@@H](Oc1nccn1C)c1ccccc1[N+](=O)[O-] ZINC001228315707 976099729 /nfs/dbraw/zinc/09/97/29/976099729.db2.gz STTUXCXSTVZNHT-SECBINFHSA-N 0 0 247.254 2.468 20 5 BEBDRN C/C=C(\C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001334095582 976295597 /nfs/dbraw/zinc/29/55/97/976295597.db2.gz LTSLSCOWRZRADE-YCRREMRBSA-N 0 0 246.266 2.403 20 5 BEBDRN O=[N+]([O-])c1c(F)cc(F)cc1OC[C@H]1CCO1 ZINC001228610712 976379750 /nfs/dbraw/zinc/37/97/50/976379750.db2.gz YGBILOPXYLYXKN-SSDOTTSWSA-N 0 0 245.181 2.041 20 5 BEBDRN Cc1cc(OC[C@@H]2CCO2)cc([N+](=O)[O-])c1 ZINC001228833779 976511172 /nfs/dbraw/zinc/51/11/72/976511172.db2.gz PUTHLKJSIBUOST-JTQLQIEISA-N 0 0 223.228 2.071 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1ccc2c(c1)OCC2)C1CC1 ZINC001228997718 976630736 /nfs/dbraw/zinc/63/07/36/976630736.db2.gz RWVJTIYUKXJNPA-CYBMUJFWSA-N 0 0 249.266 2.056 20 5 BEBDRN O=C1CC(Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229115852 976750335 /nfs/dbraw/zinc/75/03/35/976750335.db2.gz SQPPPGNJBXARLC-AATRIKPKSA-N 0 0 233.223 2.044 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(O[C@@H]2CCOC2)cc1 ZINC001229118817 976758423 /nfs/dbraw/zinc/75/84/23/976758423.db2.gz JFWMNEDHZXJGNV-HOSRBBHYSA-N 0 0 235.239 2.102 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cnoc2)cc1 ZINC001174475188 976789982 /nfs/dbraw/zinc/78/99/82/976789982.db2.gz FMDPMRMODKRRTC-UHFFFAOYSA-N 0 0 205.173 2.326 20 5 BEBDRN O=c1cc(Nc2ccc([N+](=O)[O-])cc2)cc[nH]1 ZINC001174475707 976791867 /nfs/dbraw/zinc/79/18/67/976791867.db2.gz PYCBHCYNBKCJTR-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN COc1cc(Nc2ccc([N+](=O)[O-])cc2)ncn1 ZINC001174476045 976793144 /nfs/dbraw/zinc/79/31/44/976793144.db2.gz YISPLUKWAGJHMG-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1O[C@@H]1CCOC1 ZINC001229377647 976851092 /nfs/dbraw/zinc/85/10/92/976851092.db2.gz PSTNEXFDJZUTNI-MRVPVSSYSA-N 0 0 243.646 2.416 20 5 BEBDRN CCO[C@H](C)COc1cc([N+](=O)[O-])ccc1O ZINC001229394972 976855303 /nfs/dbraw/zinc/85/53/03/976855303.db2.gz DARPFJSKQBTEEG-MRVPVSSYSA-N 0 0 241.243 2.104 20 5 BEBDRN CCOC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1O ZINC001229395078 976857556 /nfs/dbraw/zinc/85/75/56/976857556.db2.gz FCMRBCGTHAFLRN-MRVPVSSYSA-N 0 0 241.243 2.104 20 5 BEBDRN C[C@@H](NCC[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC001354473289 1170010726 /nfs/dbraw/zinc/01/07/26/1170010726.db2.gz WXSMMTAEWYVSRH-SSDOTTSWSA-N 0 0 246.669 2.406 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(OC[C@@H]2CCO2)cc1F ZINC001229895624 977016221 /nfs/dbraw/zinc/01/62/21/977016221.db2.gz SOLUUXKZMATQIE-QMMMGPOBSA-N 0 0 241.218 2.210 20 5 BEBDRN CO[C@H](C)COc1ccc([N+](=O)[O-])nc1Cl ZINC001229915617 977029228 /nfs/dbraw/zinc/02/92/28/977029228.db2.gz RYUYZWYGCZDADI-ZCFIWIBFSA-N 0 0 246.650 2.057 20 5 BEBDRN CC(=O)Nc1ccc([N+](=O)[O-])cc1OC1CC1 ZINC001230246322 977139389 /nfs/dbraw/zinc/13/93/89/977139389.db2.gz LAKJQVOHURFJNX-UHFFFAOYSA-N 0 0 236.227 2.094 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(C)cc1OC[C@@H]1CCO1 ZINC001230723908 977313900 /nfs/dbraw/zinc/31/39/00/977313900.db2.gz QEIGJOCLKQBNAL-JTQLQIEISA-N 0 0 237.255 2.379 20 5 BEBDRN O=[N+]([O-])c1c(Cl)cccc1OC[C@@H]1CCO1 ZINC001230919127 977378666 /nfs/dbraw/zinc/37/86/66/977378666.db2.gz UDONDPSMKLCFJI-ZETCQYMHSA-N 0 0 243.646 2.416 20 5 BEBDRN O=[N+]([O-])c1c(Cl)cccc1OC[C@H]1CCO1 ZINC001230919125 977381325 /nfs/dbraw/zinc/38/13/25/977381325.db2.gz UDONDPSMKLCFJI-SSDOTTSWSA-N 0 0 243.646 2.416 20 5 BEBDRN Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)c(N)c1[N+](=O)[O-] ZINC001336146714 977536110 /nfs/dbraw/zinc/53/61/10/977536110.db2.gz BTUPXLWRWSQNHQ-HTQZYQBOSA-N 0 0 249.270 2.080 20 5 BEBDRN O=[N+]([O-])c1ccc(F)c(Nc2cncnc2)c1 ZINC001175734412 977668316 /nfs/dbraw/zinc/66/83/16/977668316.db2.gz IUACTTIMRSIMFD-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]1F ZINC001336527967 977752218 /nfs/dbraw/zinc/75/22/18/977752218.db2.gz UKTHLOMEZTXNEY-BDAKNGLRSA-N 0 0 238.218 2.200 20 5 BEBDRN Cc1nonc1Nc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175899591 977813498 /nfs/dbraw/zinc/81/34/98/977813498.db2.gz XZKSQUROIAMRJP-VOTSOKGWSA-N 0 0 246.226 2.369 20 5 BEBDRN CC1(CCNc2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001336623370 977817356 /nfs/dbraw/zinc/81/73/56/977817356.db2.gz RFMRFMCXYGMPQT-UHFFFAOYSA-N 0 0 236.275 2.174 20 5 BEBDRN CC(F)(F)CCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001336652687 977834368 /nfs/dbraw/zinc/83/43/68/977834368.db2.gz KVCWZYJRNJCJPS-UHFFFAOYSA-N 0 0 246.217 2.029 20 5 BEBDRN Nc1cc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001336666126 977842312 /nfs/dbraw/zinc/84/23/12/977842312.db2.gz RCLONVWQHKZEJC-IWSPIJDZSA-N 0 0 248.286 2.173 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001336859505 978008516 /nfs/dbraw/zinc/00/85/16/978008516.db2.gz RBUNORMESJBDTI-IQJOONFLSA-N 0 0 233.271 2.012 20 5 BEBDRN COc1ccc(Nc2cncnc2)cc1[N+](=O)[O-] ZINC001176360120 978048339 /nfs/dbraw/zinc/04/83/39/978048339.db2.gz UIDMXNQHEVDQRD-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN COc1ccc(Nc2ncco2)cc1[N+](=O)[O-] ZINC001176360047 978048758 /nfs/dbraw/zinc/04/87/58/978048758.db2.gz QLSDPUJQKNGIEX-UHFFFAOYSA-N 0 0 235.199 2.335 20 5 BEBDRN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)c(N)c1[N+](=O)[O-] ZINC001337456692 978344633 /nfs/dbraw/zinc/34/46/33/978344633.db2.gz BTUPXLWRWSQNHQ-JGVFFNPUSA-N 0 0 249.270 2.080 20 5 BEBDRN COC[C@H](C)Oc1cc(F)c([N+](=O)[O-])c(F)c1 ZINC001233750628 978686455 /nfs/dbraw/zinc/68/64/55/978686455.db2.gz NDCLHEVYWAVTNC-LURJTMIESA-N 0 0 247.197 2.287 20 5 BEBDRN O=[N+]([O-])c1c(F)cc(OC[C@@H]2CCO2)cc1F ZINC001233750592 978688373 /nfs/dbraw/zinc/68/83/73/978688373.db2.gz MQKGXXMXFDHRIG-LURJTMIESA-N 0 0 245.181 2.041 20 5 BEBDRN O=[N+]([O-])c1cc(OC[C@H]2CCC=CO2)ccn1 ZINC001233854917 978713810 /nfs/dbraw/zinc/71/38/10/978713810.db2.gz MESYWYOTRPYQQT-SNVBAGLBSA-N 0 0 236.227 2.061 20 5 BEBDRN Cc1cc(F)c(OC[C@@H]2CCO2)cc1[N+](=O)[O-] ZINC001234057241 978764439 /nfs/dbraw/zinc/76/44/39/978764439.db2.gz RUDRQQBFQRVSSY-QMMMGPOBSA-N 0 0 241.218 2.210 20 5 BEBDRN CC[C@@H](C)Oc1c(C)nccc1[N+](=O)[O-] ZINC001234901311 978925971 /nfs/dbraw/zinc/92/59/71/978925971.db2.gz OOMXRAYHDCCOGQ-SSDOTTSWSA-N 0 0 210.233 2.476 20 5 BEBDRN Cc1nccc([N+](=O)[O-])c1O[C@@H](C)C1CC1 ZINC001234903190 978927641 /nfs/dbraw/zinc/92/76/41/978927641.db2.gz KCAIHWIEWRWZJG-QMMMGPOBSA-N 0 0 222.244 2.476 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1C[C@H]1F ZINC001341869155 979581910 /nfs/dbraw/zinc/58/19/10/979581910.db2.gz KVZITYBIXQHMOF-DTWKUNHWSA-N 0 0 239.202 2.167 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cnsc2)cn1 ZINC001203568899 979832522 /nfs/dbraw/zinc/83/25/22/979832522.db2.gz JDINVNQVUZURQI-UHFFFAOYSA-N 0 0 222.229 2.190 20 5 BEBDRN CCC[C@H](CC)C(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001344403865 980391028 /nfs/dbraw/zinc/39/10/28/980391028.db2.gz PRNRZAVIUPCRPW-UWVGGRQHSA-N 0 0 231.292 2.411 20 5 BEBDRN Cc1nc(N2C[C@H]3CCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001186930534 980455787 /nfs/dbraw/zinc/45/57/87/980455787.db2.gz LGYFLTVJRGUCNT-NXEZZACHSA-N 0 0 248.286 2.072 20 5 BEBDRN O=C(CC(C1CC1)C1CC1)OCCC[N+](=O)[O-] ZINC001345127869 980558154 /nfs/dbraw/zinc/55/81/54/980558154.db2.gz VVTZIANZSQLKFE-UHFFFAOYSA-N 0 0 241.287 2.023 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)CCC1CCC1 ZINC001345696084 980674263 /nfs/dbraw/zinc/67/42/63/980674263.db2.gz YVULDYICGFPSGK-JTQLQIEISA-N 0 0 229.276 2.165 20 5 BEBDRN CCC[C@H](C)CC(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001345695800 980674291 /nfs/dbraw/zinc/67/42/91/980674291.db2.gz XSIWSHVDEWQVCD-VHSXEESVSA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@]1(C)CCC[C@H]1C ZINC001346198189 980782355 /nfs/dbraw/zinc/78/23/55/980782355.db2.gz SRCNLHCKCPRYSR-FOGDFJRCSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@H]1CCC[C@]1(C)C(=O)OCCC[N+](=O)[O-] ZINC001346451225 980840310 /nfs/dbraw/zinc/84/03/10/980840310.db2.gz UMZGLHOPJCAGCO-JQWIXIFHSA-N 0 0 243.303 2.413 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccsn1 ZINC001348449208 981366373 /nfs/dbraw/zinc/36/63/73/981366373.db2.gz UEOYBYXSBOQNRF-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN C[C@@H](COC(=O)[C@@H]1CCC=CCCC1)[N+](=O)[O-] ZINC001348532994 981383688 /nfs/dbraw/zinc/38/36/88/981383688.db2.gz HFQQCMLSNDAYJG-WDEREUQCSA-N 0 0 241.287 2.331 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CC(C)(C)CC ZINC001349805584 981750672 /nfs/dbraw/zinc/75/06/72/981750672.db2.gz KQTLGOWPMHUIAO-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN C=C/C=C/CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC001583687723 981831301 /nfs/dbraw/zinc/83/13/01/981831301.db2.gz LLBTYCCFSIUXLI-ONEGZZNKSA-N 0 0 246.266 2.457 20 5 BEBDRN CC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001585841900 981947733 /nfs/dbraw/zinc/94/77/33/981947733.db2.gz PLLOOQSGRJXBOW-UHFFFAOYSA-N 0 0 231.211 2.101 20 5 BEBDRN Cc1nc(N[C@@H]2CCCC23CC3)ncc1[N+](=O)[O-] ZINC001351791103 982387156 /nfs/dbraw/zinc/38/71/56/982387156.db2.gz RNLKTRRIDSDPGS-SNVBAGLBSA-N 0 0 248.286 2.438 20 5 BEBDRN C=CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001353215411 982779932 /nfs/dbraw/zinc/77/99/32/982779932.db2.gz VTDHZENPQJMVIO-SECBINFHSA-N 0 0 234.255 2.266 20 5 BEBDRN O=[N+]([O-])c1cc(O)cc(Nc2ccccn2)c1 ZINC001199800796 983019477 /nfs/dbraw/zinc/01/94/77/983019477.db2.gz HIVQKCFQRQIOAR-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN Nc1cccnc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199802490 983022355 /nfs/dbraw/zinc/02/23/55/983022355.db2.gz RTPSYODXDIUWQY-UHFFFAOYSA-N 0 0 246.226 2.021 20 5 BEBDRN Cc1nocc1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC001354147538 983173755 /nfs/dbraw/zinc/17/37/55/983173755.db2.gz YAGSYWZDWBELDQ-UHFFFAOYSA-N 0 0 248.194 2.110 20 5 BEBDRN Cc1ccc(OC(=O)[C@H]2C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001356155698 983583219 /nfs/dbraw/zinc/58/32/19/983583219.db2.gz ATYQDMPEYZIIIO-YUMQZZPRSA-N 0 0 239.202 2.167 20 5 BEBDRN Cc1nnc(/C=C/c2cccc([N+](=O)[O-])c2)o1 ZINC001253370964 984130272 /nfs/dbraw/zinc/13/02/72/984130272.db2.gz TZAKEXSLBRLYKI-AATRIKPKSA-N 0 0 231.211 2.457 20 5 BEBDRN CCNc1c2cc(F)ccc2ncc1[N+](=O)[O-] ZINC001458081301 985259633 /nfs/dbraw/zinc/25/96/33/985259633.db2.gz ZRLJGYZDFYKCRV-UHFFFAOYSA-N 0 0 235.218 2.136 20 5 BEBDRN O=C(COc1ccccc1[N+](=O)[O-])c1ccoc1 ZINC001458822035 985357031 /nfs/dbraw/zinc/35/70/31/985357031.db2.gz UAGIAYIHQKHCIV-UHFFFAOYSA-N 0 0 247.206 2.450 20 5 BEBDRN O=[N+]([O-])c1sccc1OC[C@@H]1CCCOC1 ZINC001459089204 985383072 /nfs/dbraw/zinc/38/30/72/985383072.db2.gz RWEJNZCDXYMLRH-MRVPVSSYSA-N 0 0 243.284 2.462 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1COc1cncnc1 ZINC001459291967 985429503 /nfs/dbraw/zinc/42/95/03/985429503.db2.gz QCZBDPHYVVEMKS-UHFFFAOYSA-N 0 0 249.201 2.103 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@H]1COC2(CCC2)C1 ZINC000688313987 985608103 /nfs/dbraw/zinc/60/81/03/985608103.db2.gz HNRNNNAPPRALDL-SECBINFHSA-N 0 0 249.270 2.113 20 5 BEBDRN C[C@@H](NCC[N+](=O)[O-])c1cc(Cl)ccc1F ZINC001459815418 985628506 /nfs/dbraw/zinc/62/85/06/985628506.db2.gz ADUBEBJQARRNOI-SSDOTTSWSA-N 0 0 246.669 2.406 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2nnc(C3CCC3)o2)cn1 ZINC001255161622 986836320 /nfs/dbraw/zinc/83/63/20/986836320.db2.gz RSQMKOAIFHALQQ-UHFFFAOYSA-N 0 0 246.226 2.307 20 5 BEBDRN O=[N+]([O-])c1cnccc1-c1nnc(C2CCC2)o1 ZINC001255225307 986872470 /nfs/dbraw/zinc/87/24/70/986872470.db2.gz AABITVAEDNOGHT-UHFFFAOYSA-N 0 0 246.226 2.307 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NC1C(C)(C)C1(C)C ZINC001472719636 987271682 /nfs/dbraw/zinc/27/16/82/987271682.db2.gz QDIKUEKUSLORPZ-UHFFFAOYSA-N 0 0 238.291 2.175 20 5 BEBDRN C[C@H]1C[C@@H]1c1nnc(-c2cccc([N+](=O)[O-])n2)o1 ZINC001256718015 987272570 /nfs/dbraw/zinc/27/25/70/987272570.db2.gz OAWWEOGLJSPDJE-BQBZGAKWSA-N 0 0 246.226 2.163 20 5 BEBDRN Cc1ccc(F)cc1Cn1ccnc1[N+](=O)[O-] ZINC001473075955 987325635 /nfs/dbraw/zinc/32/56/35/987325635.db2.gz QPBCHIHWLLTKLG-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN C[C@H]1CC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000695468478 987332214 /nfs/dbraw/zinc/33/22/14/987332214.db2.gz NKVKWRQUYYMCEQ-YUMQZZPRSA-N 0 0 237.259 2.296 20 5 BEBDRN CCOC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000208292978 987406477 /nfs/dbraw/zinc/40/64/77/987406477.db2.gz AVQNRVRQAPYBGW-QWRGUYRKSA-N 0 0 235.239 2.261 20 5 BEBDRN Cn1cc([N+](=O)[O-])cc1-c1nnc(C2CCC2)o1 ZINC001117217867 987803239 /nfs/dbraw/zinc/80/32/39/987803239.db2.gz CQOVQGPPDQSBCL-UHFFFAOYSA-N 0 0 248.242 2.251 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NCc1ccsc1 ZINC001322416353 988257570 /nfs/dbraw/zinc/25/75/70/988257570.db2.gz OBIDEKSKHXUYDN-UHFFFAOYSA-N 0 0 249.295 2.394 20 5 BEBDRN Cc1nc(NCC2CC(C)C2)ncc1[N+](=O)[O-] ZINC001118751223 988549195 /nfs/dbraw/zinc/54/91/95/988549195.db2.gz CYKWTGUEIDABIZ-UHFFFAOYSA-N 0 0 236.275 2.151 20 5 BEBDRN Cc1cccc(-c2noc(CC[N+](=O)[O-])n2)c1C ZINC001247522127 988923852 /nfs/dbraw/zinc/92/38/52/988923852.db2.gz WKJCATMLDRVHPL-UHFFFAOYSA-N 0 0 247.254 2.173 20 5 BEBDRN CCc1ccc(-c2noc(CC[N+](=O)[O-])n2)cc1 ZINC001247525136 988926039 /nfs/dbraw/zinc/92/60/39/988926039.db2.gz VUUMTYCBXHAKPV-UHFFFAOYSA-N 0 0 247.254 2.118 20 5 BEBDRN Cc1cnc(Nc2cc([N+](=O)[O-])cnc2C)cn1 ZINC001248747036 989141861 /nfs/dbraw/zinc/14/18/61/989141861.db2.gz RYLIEOJIPUAWGF-UHFFFAOYSA-N 0 0 245.242 2.140 20 5 BEBDRN Cc1nocc1Nc1cc([N+](=O)[O-])cnc1C ZINC001249545294 989305991 /nfs/dbraw/zinc/30/59/91/989305991.db2.gz FEDVHQSXGWLLIR-UHFFFAOYSA-N 0 0 234.215 2.338 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1cc[nH]c(=O)c1 ZINC001249544929 989306786 /nfs/dbraw/zinc/30/67/86/989306786.db2.gz VSGIAOGPTBRUAA-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN CCOc1ccc(-c2nnc(C)o2)cc1[N+](=O)[O-] ZINC001326068181 989358595 /nfs/dbraw/zinc/35/85/95/989358595.db2.gz AHSVATFDOGZOGI-UHFFFAOYSA-N 0 0 249.226 2.352 20 5 BEBDRN Cc1cc(C)cc([C@@H]2CC[N@H+](CC[N+](=O)[O-])C2)c1 ZINC001119811449 989411561 /nfs/dbraw/zinc/41/15/61/989411561.db2.gz YNDFGQKBGHUHQQ-CYBMUJFWSA-N 0 0 248.326 2.369 20 5 BEBDRN O=[N+]([O-])CCN1CCC(c2ccsc2)CC1 ZINC001119822654 989428633 /nfs/dbraw/zinc/42/86/33/989428633.db2.gz KAROOJDOFDSQBJ-UHFFFAOYSA-N 0 0 240.328 2.204 20 5 BEBDRN C[C@H](NCC[N+](=O)[O-])c1cc2ccccc2o1 ZINC001119843192 989434435 /nfs/dbraw/zinc/43/44/35/989434435.db2.gz BNDHLEPSZCHQJE-VIFPVBQESA-N 0 0 234.255 2.360 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)CC(C)(C)C ZINC001520098882 989505793 /nfs/dbraw/zinc/50/57/93/989505793.db2.gz AFPWUSUKWDEGDH-QMMMGPOBSA-N 0 0 217.265 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1oc(C)cc1C ZINC001520099701 989508586 /nfs/dbraw/zinc/50/85/86/989508586.db2.gz VSNSLXVVBAQOQD-SECBINFHSA-N 0 0 241.243 2.109 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1C=CCCC1 ZINC001520098943 989509668 /nfs/dbraw/zinc/50/96/68/989509668.db2.gz BFTNBTPLTYOHMT-GHMZBOCLSA-N 0 0 241.287 2.331 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCC[C@H](O)C1CC1 ZINC001119983824 989540028 /nfs/dbraw/zinc/54/00/28/989540028.db2.gz RDJZQMWKUHGMSZ-VIFPVBQESA-N 0 0 242.300 2.229 20 5 BEBDRN Cc1nc(N[C@@H]2CC[C@H]3C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001326767108 989692423 /nfs/dbraw/zinc/69/24/23/989692423.db2.gz NUPJFKPALDHGCF-LPEHRKFASA-N 0 0 248.286 2.294 20 5 BEBDRN CC[C@@H](F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001120567545 989738236 /nfs/dbraw/zinc/73/82/36/989738236.db2.gz LKTXCVRJWZMDGN-SECBINFHSA-N 0 0 226.207 2.281 20 5 BEBDRN CC(C)[C@H](C)N(C)c1cc(N)c([N+](=O)[O-])cn1 ZINC001120890350 989950021 /nfs/dbraw/zinc/95/00/21/989950021.db2.gz PVTISCYRHWGKNF-QMMMGPOBSA-N 0 0 238.291 2.053 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC(F)(F)C1 ZINC001120956704 989987309 /nfs/dbraw/zinc/98/73/09/989987309.db2.gz LJAMUJOCRMMWQZ-UHFFFAOYSA-N 0 0 214.171 2.050 20 5 BEBDRN Cc1cc(NC(=O)[C@@H]2C[C@@H]2F)ccc1[N+](=O)[O-] ZINC001121088876 990010704 /nfs/dbraw/zinc/01/07/04/990010704.db2.gz TVNNWVZRFJIDOS-BDAKNGLRSA-N 0 0 238.218 2.200 20 5 BEBDRN Cc1cc(NC(=O)CCF)cc([N+](=O)[O-])c1 ZINC001529400962 990348265 /nfs/dbraw/zinc/34/82/65/990348265.db2.gz KDZKIJRXXXHFBM-UHFFFAOYSA-N 0 0 226.207 2.201 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@@H](C)CC ZINC001123354548 990554878 /nfs/dbraw/zinc/55/48/78/990554878.db2.gz BAPXGMWRDCRODR-DTWKUNHWSA-N 0 0 217.265 2.021 20 5 BEBDRN CCC[C@H](C)C(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001123356017 990558754 /nfs/dbraw/zinc/55/87/54/990558754.db2.gz ZBJQMVSSQSRJAH-DTWKUNHWSA-N 0 0 217.265 2.021 20 5 BEBDRN Cc1conc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001124334231 990777654 /nfs/dbraw/zinc/77/76/54/990777654.db2.gz UGFXILBLPADMBQ-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccsn1 ZINC001124341044 990777954 /nfs/dbraw/zinc/77/79/54/990777954.db2.gz YVIACLKVCQSJTL-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN O=[N+]([O-])c1ccc(Oc2cnc(F)cn2)cc1 ZINC001559053617 991029835 /nfs/dbraw/zinc/02/98/35/991029835.db2.gz ZENJMBCNMDRBSA-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN O=[N+]([O-])c1cnc(Sc2ncco2)c(F)c1 ZINC001559179541 991046159 /nfs/dbraw/zinc/04/61/59/991046159.db2.gz DIDPFVUGLUDLKK-UHFFFAOYSA-N 0 0 241.203 2.268 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1NC/C=C/Cl ZINC001559297037 991067240 /nfs/dbraw/zinc/06/72/40/991067240.db2.gz OULHSBVYGHIEEF-OWOJBTEDSA-N 0 0 248.069 2.230 20 5 BEBDRN CC(C)[C@@H](O)CCOc1ccsc1[N+](=O)[O-] ZINC001559414017 991097733 /nfs/dbraw/zinc/09/77/33/991097733.db2.gz KYEBLLZBOUWVBP-QMMMGPOBSA-N 0 0 245.300 2.442 20 5 BEBDRN O=[N+]([O-])c1sccc1OC[C@H]1CCCO1 ZINC001559414146 991098089 /nfs/dbraw/zinc/09/80/89/991098089.db2.gz QLNLMQFCXXMWED-SSDOTTSWSA-N 0 0 229.257 2.214 20 5 BEBDRN O=c1cc(Nc2cccc([N+](=O)[O-])c2)cc[nH]1 ZINC001204408369 991627833 /nfs/dbraw/zinc/62/78/33/991627833.db2.gz YPCKSCUKLGPESY-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN CCCc1ccn(Cc2cccnc2[N+](=O)[O-])n1 ZINC001262159400 992714732 /nfs/dbraw/zinc/71/47/32/992714732.db2.gz UNJBAYNSJPGPLH-UHFFFAOYSA-N 0 0 246.270 2.187 20 5 BEBDRN O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC001262252542 992820929 /nfs/dbraw/zinc/82/09/29/992820929.db2.gz UVUITLVCGJEMPC-QIAWRQBBSA-N 0 0 246.310 2.441 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCCCC(F)F ZINC001262373146 992867388 /nfs/dbraw/zinc/86/73/88/992867388.db2.gz NGDLBRXXUQBLAS-UHFFFAOYSA-N 0 0 231.202 2.447 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[C@H]1F ZINC001262737577 993057104 /nfs/dbraw/zinc/05/71/04/993057104.db2.gz JBUWKURRWFLQFR-RNFRBKRXSA-N 0 0 242.181 2.030 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccoc1Cl ZINC001263622927 993429617 /nfs/dbraw/zinc/42/96/17/993429617.db2.gz DEGSNNNWLVTBPF-LURJTMIESA-N 0 0 247.634 2.145 20 5 BEBDRN O=[N+]([O-])c1nccn1Cc1c(F)cccc1F ZINC001614844583 1170498691 /nfs/dbraw/zinc/49/86/91/1170498691.db2.gz KFPKAFVUEFIQLS-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN CC(=O)[C@@H](C)Oc1cc([N+](=O)[O-])ccc1C ZINC000034538896 1170570160 /nfs/dbraw/zinc/57/01/60/1170570160.db2.gz QESXLJHFLKXDPO-SECBINFHSA-N 0 0 223.228 2.260 20 5 BEBDRN CN(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001624052829 1170999921 /nfs/dbraw/zinc/99/99/21/1170999921.db2.gz IRBFCYTWDWOSLI-UHFFFAOYSA-N 0 0 246.625 2.089 20 5 BEBDRN CC(=O)[C@@H](C)Oc1cccc([N+](=O)[O-])c1C ZINC000038081641 1171018115 /nfs/dbraw/zinc/01/81/15/1171018115.db2.gz UELZKGZFRKMDLH-SECBINFHSA-N 0 0 223.228 2.260 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1NC[C@H]1CCOC1 ZINC000038094736 1171018803 /nfs/dbraw/zinc/01/88/03/1171018803.db2.gz ZZPNZTFVWRLWRA-MRVPVSSYSA-N 0 0 240.234 2.182 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1Sc1ccccc1 ZINC001649224462 1171297164 /nfs/dbraw/zinc/29/71/64/1171297164.db2.gz OFLUVTGKBNKHDZ-UHFFFAOYSA-N 0 0 235.268 2.480 20 5 BEBDRN Cc1cc(CNc2cc(C)c([N+](=O)[O-])cn2)on1 ZINC000073000365 178041619 /nfs/dbraw/zinc/04/16/19/178041619.db2.gz WFJUXBRVAOPJRG-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1cc(COC(=O)C2CC2)ccc1[N+](=O)[O-] ZINC000181308624 178047673 /nfs/dbraw/zinc/04/76/73/178047673.db2.gz CJZFVIVXJDPQLE-UHFFFAOYSA-N 0 0 235.239 2.356 20 5 BEBDRN CC[C@H]1CCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000292300784 398185875 /nfs/dbraw/zinc/18/58/75/398185875.db2.gz NPHSQJOVJXEDAJ-VIFPVBQESA-N 0 0 238.291 2.108 20 5 BEBDRN COC[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000087150674 536554433 /nfs/dbraw/zinc/55/44/33/536554433.db2.gz KDXTVUOXKRHLLU-SECBINFHSA-N 0 0 224.260 2.350 20 5 BEBDRN Cc1cc(N2CCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000173917092 178115830 /nfs/dbraw/zinc/11/58/30/178115830.db2.gz BFHAHLSDRMUOIH-SECBINFHSA-N 0 0 221.260 2.287 20 5 BEBDRN Cc1cc(NCC2(O)CCC2)ccc1[N+](=O)[O-] ZINC000080601352 178156897 /nfs/dbraw/zinc/15/68/97/178156897.db2.gz QXFPGZPXMVZBGA-UHFFFAOYSA-N 0 0 236.271 2.230 20 5 BEBDRN Cc1cc(NCCC[C@H](C)O)ccc1[N+](=O)[O-] ZINC000227995916 178159837 /nfs/dbraw/zinc/15/98/37/178159837.db2.gz JBOUZWKNDGKFLK-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cc(NCCOC(C)C)ncc1[N+](=O)[O-] ZINC000168647403 178161079 /nfs/dbraw/zinc/16/10/79/178161079.db2.gz BPVLMAQUZVTOBU-UHFFFAOYSA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1cc(NC[C@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000071306163 178169254 /nfs/dbraw/zinc/16/92/54/178169254.db2.gz ARUFMLBGUWMEIS-LBPRGKRZSA-N 0 0 236.271 2.086 20 5 BEBDRN Cc1cc(NCc2ccccn2)ncc1[N+](=O)[O-] ZINC000081275215 178173614 /nfs/dbraw/zinc/17/36/14/178173614.db2.gz CKSIFJLZXQWSPY-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cc(N[C@@H](C)c2ccon2)ncc1[N+](=O)[O-] ZINC000341933059 178180043 /nfs/dbraw/zinc/18/00/43/178180043.db2.gz USQKEXDNQDTLPT-QMMMGPOBSA-N 0 0 248.242 2.459 20 5 BEBDRN Cc1cc(N[C@@H]2CCOC2)c(F)cc1[N+](=O)[O-] ZINC000310533231 178182590 /nfs/dbraw/zinc/18/25/90/178182590.db2.gz OOWNGRDHCMNPJI-MRVPVSSYSA-N 0 0 240.234 2.243 20 5 BEBDRN Cc1cc(N[C@@H]2C[C@H]2C)ncc1[N+](=O)[O-] ZINC000073000387 178183791 /nfs/dbraw/zinc/18/37/91/178183791.db2.gz KYHHHBRYFBKJRP-HTRCEHHLSA-N 0 0 207.233 2.119 20 5 BEBDRN Cc1cc(OC[C@H](C)O)c(Cl)cc1[N+](=O)[O-] ZINC000309202794 178211932 /nfs/dbraw/zinc/21/19/32/178211932.db2.gz LSGGTLNBDZVDAK-ZETCQYMHSA-N 0 0 245.662 2.316 20 5 BEBDRN Cc1cc(O[C@@H](C)[C@@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000123649353 178212961 /nfs/dbraw/zinc/21/29/61/178212961.db2.gz YGJAORBQOFTGHU-SFYZADRCSA-N 0 0 243.234 2.190 20 5 BEBDRN CCC(CC)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000104547843 168358688 /nfs/dbraw/zinc/35/86/88/168358688.db2.gz ARDXZFKEHLPHBO-UHFFFAOYSA-N 0 0 240.259 2.354 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn(CCC(C)C)c1=O ZINC000096778375 178274299 /nfs/dbraw/zinc/27/42/99/178274299.db2.gz XNEDGBPWSHYCRI-UHFFFAOYSA-N 0 0 224.260 2.111 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC1CC1 ZINC000299679338 178270896 /nfs/dbraw/zinc/27/08/96/178270896.db2.gz VNOJBQBMGVQXJG-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[C@H]1C ZINC000293953694 178270966 /nfs/dbraw/zinc/27/09/66/178270966.db2.gz FUWDKVDWVVHCCP-NXEZZACHSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn([C@H]2C=CCCC2)c1=O ZINC000178339169 178274326 /nfs/dbraw/zinc/27/43/26/178274326.db2.gz HGMWWJYIKFOHQO-JTQLQIEISA-N 0 0 234.255 2.346 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCCC[C@@H](C)O ZINC000310541078 178272731 /nfs/dbraw/zinc/27/27/31/178272731.db2.gz STNWZTVAATXDBK-SNVBAGLBSA-N 0 0 239.271 2.443 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCO[C@H]1C ZINC000147568738 178272773 /nfs/dbraw/zinc/27/27/73/178272773.db2.gz RWYAFJQIVQBNIC-CABZTGNLSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@@H](C)CO ZINC000158677563 178272790 /nfs/dbraw/zinc/27/27/90/178272790.db2.gz KSIVWTUEPOWALX-UWVGGRQHSA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)CCCO ZINC000088503661 178272967 /nfs/dbraw/zinc/27/29/67/178272967.db2.gz XBZJOWNJCFDNMX-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCc1cncn1C ZINC000090165927 178273147 /nfs/dbraw/zinc/27/31/47/178273147.db2.gz BAWRJFTZTJETIV-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@H](O)C1CC1 ZINC000071306157 178273240 /nfs/dbraw/zinc/27/32/40/178273240.db2.gz BAKKDGJOQQNDGF-LBPRGKRZSA-N 0 0 236.271 2.086 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCc1cncn1C ZINC000270168675 178273272 /nfs/dbraw/zinc/27/32/72/178273272.db2.gz ZQBPDIUYMKKBTK-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@H](C)CCO ZINC000097442880 178273311 /nfs/dbraw/zinc/27/33/11/178273311.db2.gz MEBKPSGBAALCDU-SECBINFHSA-N 0 0 238.287 2.334 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1S[C@H](C)[C@H](C)O ZINC000092658822 178275305 /nfs/dbraw/zinc/27/53/05/178275305.db2.gz LWEFGUKIMOSFSG-JGVFFNPUSA-N 0 0 242.300 2.160 20 5 BEBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC2 ZINC000421444978 192340094 /nfs/dbraw/zinc/34/00/94/192340094.db2.gz JTGPNLSGHQYVGB-NSHDSACASA-N 0 0 246.266 2.011 20 5 BEBDRN C[C@@H]1C[C@H](C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000335258131 343996029 /nfs/dbraw/zinc/99/60/29/343996029.db2.gz CNJZQESKJDCXQY-DTORHVGOSA-N 0 0 234.255 2.218 20 5 BEBDRN Cc1ccc(C(=O)N2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000299578520 178396866 /nfs/dbraw/zinc/39/68/66/178396866.db2.gz AVCAPOFHLPPROA-VIFPVBQESA-N 0 0 248.282 2.385 20 5 BEBDRN O=[N+]([O-])c1cc(CN2C[C@@H]3C[C@@H]3C2)cs1 ZINC000600192861 342698271 /nfs/dbraw/zinc/69/82/71/342698271.db2.gz USRZMLDDKSIAIN-DTORHVGOSA-N 0 0 224.285 2.108 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NCc1cc[nH]n1 ZINC000035276744 342736474 /nfs/dbraw/zinc/73/64/74/342736474.db2.gz VLCCVJSOUWANEX-UHFFFAOYSA-N 0 0 236.206 2.069 20 5 BEBDRN Cc1c(CSCCO)cccc1[N+](=O)[O-] ZINC000035649620 342753853 /nfs/dbraw/zinc/75/38/53/342753853.db2.gz HZYOMMCSVKBAIH-UHFFFAOYSA-N 0 0 227.285 2.129 20 5 BEBDRN Cc1cc(N[C@@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC000034546819 136238906 /nfs/dbraw/zinc/23/89/06/136238906.db2.gz RZXGAOADKYWQJS-NSHDSACASA-N 0 0 238.287 2.332 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H]2C2CCC2)nc1 ZINC000273667109 398292122 /nfs/dbraw/zinc/29/21/22/398292122.db2.gz XBIXRVICDVBLSI-LLVKDONJSA-N 0 0 248.286 2.154 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(CCO)C(C)C)c1 ZINC000094663471 398296000 /nfs/dbraw/zinc/29/60/00/398296000.db2.gz OUWOEKYHZGWCIM-UHFFFAOYSA-N 0 0 238.287 2.110 20 5 BEBDRN CC[C@@H](C)[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000042417212 361997567 /nfs/dbraw/zinc/99/75/67/361997567.db2.gz QOMXSHLAEAAXRW-SFYZADRCSA-N 0 0 226.280 2.175 20 5 BEBDRN C[C@@H](CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000077226273 398306786 /nfs/dbraw/zinc/30/67/86/398306786.db2.gz ZGGSYCPBZGHESQ-ZETCQYMHSA-N 0 0 244.678 2.431 20 5 BEBDRN O=[N+]([O-])c1ccsc1NC[C@@H]1CC[C@H](O)C1 ZINC000302695854 398320035 /nfs/dbraw/zinc/32/00/35/398320035.db2.gz SUASUYIIWMBZJJ-SFYZADRCSA-N 0 0 242.300 2.229 20 5 BEBDRN CC(C)C1(CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000227823568 398321227 /nfs/dbraw/zinc/32/12/27/398321227.db2.gz YMIGFTCTRPFNGC-UHFFFAOYSA-N 0 0 238.291 2.176 20 5 BEBDRN CCc1cc(Oc2cccnc2[N+](=O)[O-])ncn1 ZINC000609585290 342886409 /nfs/dbraw/zinc/88/64/09/342886409.db2.gz SMARJQWTQAESDP-UHFFFAOYSA-N 0 0 246.226 2.135 20 5 BEBDRN Cc1ccnc(NC[C@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000123850806 398312697 /nfs/dbraw/zinc/31/26/97/398312697.db2.gz YVTFPSIWKLLRRT-RKDXNWHRSA-N 0 0 221.260 2.366 20 5 BEBDRN CC[C@@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000233921181 342902662 /nfs/dbraw/zinc/90/26/62/342902662.db2.gz MDSZBHJLLQKOKY-RITPCOANSA-N 0 0 213.262 2.262 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC[C@@H](C)CO ZINC000157757138 342921726 /nfs/dbraw/zinc/92/17/26/342921726.db2.gz OITSQCPWLVCWFK-MRVPVSSYSA-N 0 0 238.287 2.252 20 5 BEBDRN C[C@H]1CCC[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000230697193 346878479 /nfs/dbraw/zinc/87/84/79/346878479.db2.gz GCELMDJIBLEABG-DTWKUNHWSA-N 0 0 238.291 2.176 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CCCC23CC3)nc1 ZINC000601209112 398333122 /nfs/dbraw/zinc/33/31/22/398333122.db2.gz BPTZDSVOJLZGGV-VIFPVBQESA-N 0 0 234.259 2.129 20 5 BEBDRN Cc1ccnc(N2CC=CCC2)c1[N+](=O)[O-] ZINC000611509935 398334142 /nfs/dbraw/zinc/33/41/42/398334142.db2.gz MVMSLOLOVAWPMS-UHFFFAOYSA-N 0 0 219.244 2.065 20 5 BEBDRN CC[C@](C)(CNc1ncc([N+](=O)[O-])s1)OC ZINC000323203025 259352375 /nfs/dbraw/zinc/35/23/75/259352375.db2.gz GRRLXFMUEYTDNA-SECBINFHSA-N 0 0 245.304 2.278 20 5 BEBDRN CC[C@H](C)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000421578317 192355903 /nfs/dbraw/zinc/35/59/03/192355903.db2.gz HXIGXJLZTCWRIP-ZETCQYMHSA-N 0 0 242.300 2.432 20 5 BEBDRN CC[C@@H](C)[C@H](O)CNc1ccsc1[N+](=O)[O-] ZINC000310037916 343226934 /nfs/dbraw/zinc/22/69/34/343226934.db2.gz VOMFGPWYORHYLH-VXNVDRBHSA-N 0 0 244.316 2.475 20 5 BEBDRN CC(C)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000113702083 136307699 /nfs/dbraw/zinc/30/76/99/136307699.db2.gz NPCYARAUIKZCAM-UHFFFAOYSA-N 0 0 240.234 2.120 20 5 BEBDRN Cc1ccc(NC(=O)N2CC(C)C2)cc1[N+](=O)[O-] ZINC000335687407 136323755 /nfs/dbraw/zinc/32/37/55/136323755.db2.gz DLMZDMPWFOXUAW-UHFFFAOYSA-N 0 0 249.270 2.387 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1CN1CC(F)C1 ZINC000335724452 136346684 /nfs/dbraw/zinc/34/66/84/136346684.db2.gz STNXSFSSCGNQKK-UHFFFAOYSA-N 0 0 224.235 2.057 20 5 BEBDRN COC(=O)c1cc(OC(C)C)cc([N+](=O)[O-])c1 ZINC000166354624 343504404 /nfs/dbraw/zinc/50/44/04/343504404.db2.gz IGLBNJQYVQXVEH-UHFFFAOYSA-N 0 0 239.227 2.169 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)C ZINC000047463693 343562421 /nfs/dbraw/zinc/56/24/21/343562421.db2.gz LDNASFTYGIFEQT-UHFFFAOYSA-N 0 0 237.259 2.433 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)C ZINC000049397716 343596566 /nfs/dbraw/zinc/59/65/66/343596566.db2.gz ZJBLINHLYBZLHS-UHFFFAOYSA-N 0 0 222.244 2.041 20 5 BEBDRN CC(C)OC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000064876488 343618159 /nfs/dbraw/zinc/61/81/59/343618159.db2.gz HOCOKVYUZDNYNW-UHFFFAOYSA-N 0 0 227.191 2.299 20 5 BEBDRN CCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000055465126 343670550 /nfs/dbraw/zinc/67/05/50/343670550.db2.gz JATBHIASZQCHKI-QMMMGPOBSA-N 0 0 222.244 2.182 20 5 BEBDRN CCCN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000063602416 343752760 /nfs/dbraw/zinc/75/27/60/343752760.db2.gz ISNHNTANSNWDLF-UHFFFAOYSA-N 0 0 228.273 2.138 20 5 BEBDRN CC(C)(CCC(=O)Oc1ccccc1)[N+](=O)[O-] ZINC000294609952 187351319 /nfs/dbraw/zinc/35/13/19/187351319.db2.gz ZVDXSPMRKORTFB-UHFFFAOYSA-N 0 0 237.255 2.428 20 5 BEBDRN Cc1ccc(OCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000067799416 187274664 /nfs/dbraw/zinc/27/46/64/187274664.db2.gz ARNWCSSXKLKMBC-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN Cc1cc(N2CC(CF)C2)ccc1[N+](=O)[O-] ZINC000334582774 343893340 /nfs/dbraw/zinc/89/33/40/343893340.db2.gz WSOPEQWPMJRULI-UHFFFAOYSA-N 0 0 224.235 2.309 20 5 BEBDRN C[C@@H]1CCN(c2ccncc2[N+](=O)[O-])[C@@H]1C ZINC000610588373 343973734 /nfs/dbraw/zinc/97/37/34/343973734.db2.gz JJMTVBZMRSXTDH-RKDXNWHRSA-N 0 0 221.260 2.225 20 5 BEBDRN C[C@]1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC=CCC1 ZINC000335144320 343956321 /nfs/dbraw/zinc/95/63/21/343956321.db2.gz NWHMJBPJTQWAKT-LBPRGKRZSA-N 0 0 249.270 2.152 20 5 BEBDRN O=[N+]([O-])c1cnc(N2C3CCC2CC3)s1 ZINC000570663034 323066362 /nfs/dbraw/zinc/06/63/62/323066362.db2.gz BRQRSYPFUSSCLF-UHFFFAOYSA-N 0 0 225.273 2.183 20 5 BEBDRN CC[C@@H](O)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000127274616 344109330 /nfs/dbraw/zinc/10/93/30/344109330.db2.gz JXFRCSYSDQMVFB-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@H]1C ZINC000161410557 133513726 /nfs/dbraw/zinc/51/37/26/133513726.db2.gz NBCUORASGBHDGU-VXNVDRBHSA-N 0 0 221.260 2.366 20 5 BEBDRN C[C@@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000335911496 344084145 /nfs/dbraw/zinc/08/41/45/344084145.db2.gz ROHLOBDHWVJASU-SNVBAGLBSA-N 0 0 248.282 2.006 20 5 BEBDRN O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000335912758 344084234 /nfs/dbraw/zinc/08/42/34/344084234.db2.gz VRVUHBOPCHQAIV-UHFFFAOYSA-N 0 0 231.211 2.175 20 5 BEBDRN CC1CC(NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000080042193 344122326 /nfs/dbraw/zinc/12/23/26/344122326.db2.gz RIADYUNXIGLVIJ-UHFFFAOYSA-N 0 0 234.255 2.123 20 5 BEBDRN Cc1cn(Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000610889716 344160387 /nfs/dbraw/zinc/16/03/87/344160387.db2.gz HXRDPNXGJLBQHD-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC(C(F)F)C1 ZINC000610889179 344161045 /nfs/dbraw/zinc/16/10/45/344161045.db2.gz GFQKJMYVTDKDGG-UHFFFAOYSA-N 0 0 228.198 2.296 20 5 BEBDRN C[C@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601098981 344236022 /nfs/dbraw/zinc/23/60/22/344236022.db2.gz MRYUJXLYAVHCFU-QMMMGPOBSA-N 0 0 239.250 2.365 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)CC2CC2)cc1 ZINC000611103990 344249803 /nfs/dbraw/zinc/24/98/03/344249803.db2.gz IQYVPUPXAMDKJH-LLVKDONJSA-N 0 0 236.271 2.168 20 5 BEBDRN C[C@@H]1C[C@H](C)N(c2ccc([N+](=O)[O-])cn2)C1 ZINC000408219384 344254255 /nfs/dbraw/zinc/25/42/55/344254255.db2.gz MVRXSBMXNQAIOZ-BDAKNGLRSA-N 0 0 221.260 2.225 20 5 BEBDRN CC1=CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611116230 344254666 /nfs/dbraw/zinc/25/46/66/344254666.db2.gz QTEJGSBALUPZNN-UHFFFAOYSA-N 0 0 219.244 2.146 20 5 BEBDRN C[C@@H]1C[C@@H]1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000600530193 344258815 /nfs/dbraw/zinc/25/88/15/344258815.db2.gz OIHOSLJRMGXVDI-RNFRBKRXSA-N 0 0 242.662 2.066 20 5 BEBDRN Cc1ccc(NC(=O)c2cnco2)cc1[N+](=O)[O-] ZINC000611142537 344264679 /nfs/dbraw/zinc/26/46/79/344264679.db2.gz JCCDQDAQDVRRGM-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN C[C@H]1CCN(c2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000611228001 344355832 /nfs/dbraw/zinc/35/58/32/344355832.db2.gz XCTQZDOYGZQPKI-VHSXEESVSA-N 0 0 235.287 2.472 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1N1CCCCN1 ZINC000400215801 344429875 /nfs/dbraw/zinc/42/98/75/344429875.db2.gz DKPVGTZBDSATGQ-UHFFFAOYSA-N 0 0 241.678 2.353 20 5 BEBDRN O=[N+]([O-])c1ccc(SCCCO)c(F)c1 ZINC000085162918 344502996 /nfs/dbraw/zinc/50/29/96/344502996.db2.gz KWPUTAQDSFRYIA-UHFFFAOYSA-N 0 0 231.248 2.208 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCCCCO2)n1 ZINC000408291837 344463543 /nfs/dbraw/zinc/46/35/43/344463543.db2.gz PXPPNQFPAUYFMS-UHFFFAOYSA-N 0 0 237.259 2.220 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]1C ZINC000603266816 344472916 /nfs/dbraw/zinc/47/29/16/344472916.db2.gz NKXFPFSBLCTYSP-JTQLQIEISA-N 0 0 248.282 2.446 20 5 BEBDRN COC[C@@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000611412769 344540674 /nfs/dbraw/zinc/54/06/74/344540674.db2.gz HVNDCFVCFWNJRG-MRVPVSSYSA-N 0 0 242.300 2.129 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCC(F)(F)C2)n1 ZINC000611445225 344743094 /nfs/dbraw/zinc/74/30/94/344743094.db2.gz BLHHNLSRQZSEPN-UHFFFAOYSA-N 0 0 243.213 2.144 20 5 BEBDRN C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1F ZINC000611494191 344745674 /nfs/dbraw/zinc/74/56/74/344745674.db2.gz GIFDOGYPYLHOJL-RKDXNWHRSA-N 0 0 239.250 2.174 20 5 BEBDRN C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1F ZINC000611494190 344745857 /nfs/dbraw/zinc/74/58/57/344745857.db2.gz GIFDOGYPYLHOJL-IUCAKERBSA-N 0 0 239.250 2.174 20 5 BEBDRN O=[N+]([O-])c1cccc2ncnc(N3CCCC3)c21 ZINC000611564912 344757684 /nfs/dbraw/zinc/75/76/84/344757684.db2.gz FRWULEBSFLGMNO-UHFFFAOYSA-N 0 0 244.254 2.138 20 5 BEBDRN CO[C@@H](CNc1ncccc1[N+](=O)[O-])C(C)C ZINC000075062418 344764203 /nfs/dbraw/zinc/76/42/03/344764203.db2.gz BGUMDPKAZQOTTB-JTQLQIEISA-N 0 0 239.275 2.073 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(NCc2cocn2)n1 ZINC000611616236 344774464 /nfs/dbraw/zinc/77/44/64/344774464.db2.gz BAYSNDIMRIIPHE-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1cc(N(C)CC2CC2)ncc1[N+](=O)[O-] ZINC000074741838 344754500 /nfs/dbraw/zinc/75/45/00/344754500.db2.gz QYVAHICSPVBIEX-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN CC(C)CCN(C)c1ncccc1[N+](=O)[O-] ZINC000076872359 344807672 /nfs/dbraw/zinc/80/76/72/344807672.db2.gz XKOCEZPKCCPMJD-UHFFFAOYSA-N 0 0 223.276 2.472 20 5 BEBDRN C[C@@H](O)C[C@H](C)CNc1ccccc1[N+](=O)[O-] ZINC000077229071 344819098 /nfs/dbraw/zinc/81/90/98/344819098.db2.gz XHAJRFLSTQDCST-VHSXEESVSA-N 0 0 238.287 2.414 20 5 BEBDRN C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408472475 344832533 /nfs/dbraw/zinc/83/25/33/344832533.db2.gz VKJCGPAPIGEXMB-QMMMGPOBSA-N 0 0 239.250 2.365 20 5 BEBDRN C[C@@H]1CO[C@@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC000078331270 344847167 /nfs/dbraw/zinc/84/71/67/344847167.db2.gz IVVFNTHHVLVPED-ZJUUUORDSA-N 0 0 236.271 2.208 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC000078411470 344863149 /nfs/dbraw/zinc/86/31/49/344863149.db2.gz DLIWNPGMSUWBGX-PHIMTYICSA-N 0 0 247.298 2.390 20 5 BEBDRN Cc1ccnc(N2C[C@@H]3[C@H](C2)C3(C)C)c1[N+](=O)[O-] ZINC000078411645 344863521 /nfs/dbraw/zinc/86/35/21/344863521.db2.gz ZXRCJJSDSLBHOX-AOOOYVTPSA-N 0 0 247.298 2.390 20 5 BEBDRN Cc1ccc(OCC2(C)COC2)cc1[N+](=O)[O-] ZINC000339180623 178811023 /nfs/dbraw/zinc/81/10/23/178811023.db2.gz AHDDQQGDHJIQLG-UHFFFAOYSA-N 0 0 237.255 2.319 20 5 BEBDRN CC1(C)C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000044367694 345039579 /nfs/dbraw/zinc/03/95/79/345039579.db2.gz DQWZCXRIWROCHS-MRVPVSSYSA-N 0 0 207.233 2.200 20 5 BEBDRN COC[C@@H](Nc1ncc([N+](=O)[O-])s1)C(C)C ZINC000226773893 345042031 /nfs/dbraw/zinc/04/20/31/345042031.db2.gz ASZCBAQBFRWBGA-SSDOTTSWSA-N 0 0 245.304 2.134 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000238479978 345056611 /nfs/dbraw/zinc/05/66/11/345056611.db2.gz SWXWJZQUQSXUMN-UHFFFAOYSA-N 0 0 206.123 2.317 20 5 BEBDRN COC[C@@H](C)CNc1ccc([N+](=O)[O-])cc1F ZINC000044477180 345090158 /nfs/dbraw/zinc/09/01/58/345090158.db2.gz YOSWMTJDONPMNM-QMMMGPOBSA-N 0 0 242.250 2.428 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CC=CC2)cn1 ZINC000131095281 345179716 /nfs/dbraw/zinc/17/97/16/345179716.db2.gz YXFAUKHVZWYUJB-UHFFFAOYSA-N 0 0 205.217 2.120 20 5 BEBDRN C/C=C/CSCCn1cc([N+](=O)[O-])cn1 ZINC000162287550 187302161 /nfs/dbraw/zinc/30/21/61/187302161.db2.gz UUAZTRNJNIRUSK-NSCUHMNNSA-N 0 0 227.289 2.101 20 5 BEBDRN Cc1ccc(N2CCCOCC2)c([N+](=O)[O-])c1 ZINC000080607695 345350260 /nfs/dbraw/zinc/35/02/60/345350260.db2.gz GEYWZSIQZXQZDS-UHFFFAOYSA-N 0 0 236.271 2.130 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CC23CC3)s1 ZINC000425273534 192087559 /nfs/dbraw/zinc/08/75/59/192087559.db2.gz PBEYQXAASGEZKB-YFKPBYRVSA-N 0 0 211.246 2.016 20 5 BEBDRN O=C(CC1CCC1)NCc1ccccc1[N+](=O)[O-] ZINC000173569853 187305473 /nfs/dbraw/zinc/30/54/73/187305473.db2.gz WQQFLEDDKQXSDY-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN O=C(CC1CCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000173668395 187305718 /nfs/dbraw/zinc/30/57/18/187305718.db2.gz ZUFYRCCYADMMBL-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC2)cc1OC(F)F ZINC000092584748 345640877 /nfs/dbraw/zinc/64/08/77/345640877.db2.gz XBTFVWGNSXQAPW-UHFFFAOYSA-N 0 0 244.197 2.406 20 5 BEBDRN CCOCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000092963193 345649518 /nfs/dbraw/zinc/64/95/18/345649518.db2.gz ZIRGKJHUVQYUFL-UHFFFAOYSA-N 0 0 242.250 2.207 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC1 ZINC000093906958 345667785 /nfs/dbraw/zinc/66/77/85/345667785.db2.gz KCCPGRXYXIWRCP-UHFFFAOYSA-N 0 0 248.282 2.366 20 5 BEBDRN CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000088259947 345752185 /nfs/dbraw/zinc/75/21/85/345752185.db2.gz NFGBGFOMFWZALW-UHFFFAOYSA-N 0 0 234.255 2.284 20 5 BEBDRN CCCCOc1ccc([N+](=O)[O-])c(CO)c1 ZINC000144710575 345709516 /nfs/dbraw/zinc/70/95/16/345709516.db2.gz KZLFSVXOPCOCQD-UHFFFAOYSA-N 0 0 225.244 2.266 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC2CCOCC2)c1 ZINC000094659402 178929304 /nfs/dbraw/zinc/92/93/04/178929304.db2.gz TYZRXBDUSCTDNG-UHFFFAOYSA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](CO)C(C)C)c1 ZINC000084726708 178929924 /nfs/dbraw/zinc/92/99/24/178929924.db2.gz MRKWGKXVTYWZRI-LLVKDONJSA-N 0 0 238.287 2.332 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@H]2CC23CC3)c(F)c1 ZINC000418972507 192093081 /nfs/dbraw/zinc/09/30/81/192093081.db2.gz CFFVWDPFZWRSLX-SSDOTTSWSA-N 0 0 237.234 2.341 20 5 BEBDRN CC(C)=CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000191749447 187314837 /nfs/dbraw/zinc/31/48/37/187314837.db2.gz XYVJPTXCBUBTGM-UHFFFAOYSA-N 0 0 234.255 2.291 20 5 BEBDRN Cc1cc(N[C@H]2C[C@@](C)(O)C2)ccc1[N+](=O)[O-] ZINC000418996766 192096628 /nfs/dbraw/zinc/09/66/28/192096628.db2.gz KJDYCEVSVFSUNO-KLPPZKSPSA-N 0 0 236.271 2.229 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]2C[C@H]21 ZINC000586898861 346166681 /nfs/dbraw/zinc/16/66/81/346166681.db2.gz QRAXYZQWFJJLHJ-CMPLNLGQSA-N 0 0 246.266 2.219 20 5 BEBDRN O=[N+]([O-])c1sccc1N1CC(C(F)F)C1 ZINC000601130896 346197313 /nfs/dbraw/zinc/19/73/13/346197313.db2.gz QGESFVJPPWVDQU-UHFFFAOYSA-N 0 0 234.227 2.358 20 5 BEBDRN Cc1cccc(C(=O)N(C)CC2CC2)c1[N+](=O)[O-] ZINC000125923479 179004016 /nfs/dbraw/zinc/00/40/16/179004016.db2.gz QXCKZDFLKYASGN-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1cccc(C(=O)N2C[C@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000294011055 179013326 /nfs/dbraw/zinc/01/33/26/179013326.db2.gz IQTHSXSSXFLQQW-UWVGGRQHSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1cccc(C(=O)NC2CCC2)c1[N+](=O)[O-] ZINC000264374043 179014458 /nfs/dbraw/zinc/01/44/58/179014458.db2.gz DCYJSLFMAFJGBT-UHFFFAOYSA-N 0 0 234.255 2.186 20 5 BEBDRN Cc1cccc(C(=O)NC[C@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000032388258 179018548 /nfs/dbraw/zinc/01/85/48/179018548.db2.gz SUTRHMJZJFLGGA-VHSXEESVSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1ccc(C(=O)NC2CC=CC2)cc1[N+](=O)[O-] ZINC000154207186 346319836 /nfs/dbraw/zinc/31/98/36/346319836.db2.gz UNDXXKHZPNFLEQ-UHFFFAOYSA-N 0 0 246.266 2.352 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1NCC1CCC1 ZINC000401200326 346452196 /nfs/dbraw/zinc/45/21/96/346452196.db2.gz FUUNXQJIIXQPTG-UHFFFAOYSA-N 0 0 225.223 2.341 20 5 BEBDRN C[C@H](CO)CCCNc1ccc([N+](=O)[O-])s1 ZINC000309553493 347099722 /nfs/dbraw/zinc/09/97/22/347099722.db2.gz JALPICKSOTYGOZ-QMMMGPOBSA-N 0 0 244.316 2.477 20 5 BEBDRN Cc1cccc(N(C)CCCCO)c1[N+](=O)[O-] ZINC000302608332 179116314 /nfs/dbraw/zinc/11/63/14/179116314.db2.gz ABLQUTHSWONGMP-UHFFFAOYSA-N 0 0 238.287 2.112 20 5 BEBDRN CCO[C@H]1C[C@@H]1Nc1cc(C)ccc1[N+](=O)[O-] ZINC000580615699 365820301 /nfs/dbraw/zinc/82/03/01/365820301.db2.gz MAUXOEAMEGKZCG-JQWIXIFHSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cccc(N(C)Cc2cc[nH]n2)c1[N+](=O)[O-] ZINC000338669957 179118019 /nfs/dbraw/zinc/11/80/19/179118019.db2.gz ZXIPZAGDASJRHN-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN O=[N+]([O-])c1cccc(OCc2csnn2)c1 ZINC000588308052 346660771 /nfs/dbraw/zinc/66/07/71/346660771.db2.gz ILWLTMHWFKMQDU-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN Cc1nc(N2CCC[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC000588066479 346631259 /nfs/dbraw/zinc/63/12/59/346631259.db2.gz QFTHLCUTOZXNJQ-KOLCDFICSA-N 0 0 233.271 2.287 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@H]3C[C@H]32)s1 ZINC000588066790 346631750 /nfs/dbraw/zinc/63/17/50/346631750.db2.gz YHQWVRGZRLQPOM-NKWVEPMBSA-N 0 0 225.273 2.040 20 5 BEBDRN Cc1cccc(N[C@@H](C)CCO)c1[N+](=O)[O-] ZINC000218857083 179153112 /nfs/dbraw/zinc/15/31/12/179153112.db2.gz IHNWXUJSFZBAFQ-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[C@H]1C ZINC000294217538 179206320 /nfs/dbraw/zinc/20/63/20/179206320.db2.gz RFUUFHAEBJSHPJ-NXEZZACHSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCCC1CC1 ZINC000194768388 179206342 /nfs/dbraw/zinc/20/63/42/179206342.db2.gz QJBUIRICBNENIK-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCc1nccn1C ZINC000158670599 179206548 /nfs/dbraw/zinc/20/65/48/179206548.db2.gz AHEHUZAAKASIKW-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCC1(CO)CC1 ZINC000118907616 179206664 /nfs/dbraw/zinc/20/66/64/179206664.db2.gz JRKWKETUWHCOGK-UHFFFAOYSA-N 0 0 236.271 2.088 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)C ZINC000070249414 179206980 /nfs/dbraw/zinc/20/69/80/179206980.db2.gz IXZMDWOSVHPTFF-UHFFFAOYSA-N 0 0 236.271 2.289 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCc1cncn1C ZINC000357596235 179206995 /nfs/dbraw/zinc/20/69/95/179206995.db2.gz ODALSFWVKIKYIL-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN CC(C)CCCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000310399126 347276658 /nfs/dbraw/zinc/27/66/58/347276658.db2.gz KGTVNLKLZDRNFO-UHFFFAOYSA-N 0 0 238.291 2.420 20 5 BEBDRN CCC(O)(CC)CNc1ncc([N+](=O)[O-])s1 ZINC000189687996 347308452 /nfs/dbraw/zinc/30/84/52/347308452.db2.gz KAASYAIEXMGBFB-UHFFFAOYSA-N 0 0 245.304 2.014 20 5 BEBDRN CC1(C)CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000590700606 347489631 /nfs/dbraw/zinc/48/96/31/347489631.db2.gz VRQOODSTAABTKH-UHFFFAOYSA-N 0 0 246.270 2.317 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@@H](F)C2)c(Cl)c1 ZINC000590714672 347499441 /nfs/dbraw/zinc/49/94/41/347499441.db2.gz BPMUJLITUUWLJE-ZCFIWIBFSA-N 0 0 245.641 2.191 20 5 BEBDRN Cc1cc(N2Cc3c[nH]nc3C2)ccc1[N+](=O)[O-] ZINC000590568511 347470243 /nfs/dbraw/zinc/47/02/43/347470243.db2.gz YOKKUELQRJSPIA-UHFFFAOYSA-N 0 0 244.254 2.147 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H](F)C1 ZINC000590707845 347498204 /nfs/dbraw/zinc/49/82/04/347498204.db2.gz AYHKHCRFUQABMR-SSDOTTSWSA-N 0 0 245.641 2.191 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(Cn2cccn2)c(F)c1 ZINC000590587456 347472746 /nfs/dbraw/zinc/47/27/46/347472746.db2.gz PUAZCIWWVLEQBF-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN COc1ccc(Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000590596440 347478705 /nfs/dbraw/zinc/47/87/05/347478705.db2.gz ZDZBGFXRWNARDN-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN C[C@@H](CCCO)CNc1sccc1[N+](=O)[O-] ZINC000590709350 347498771 /nfs/dbraw/zinc/49/87/71/347498771.db2.gz ZNCLNRWFOZKSKG-QMMMGPOBSA-N 0 0 244.316 2.477 20 5 BEBDRN Cc1nn(C2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000590739173 347502355 /nfs/dbraw/zinc/50/23/55/347502355.db2.gz QBLCFYMRNNRGLL-UHFFFAOYSA-N 0 0 243.266 2.440 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(S[C@@H]2CCOC2)n1 ZINC000617000714 347575086 /nfs/dbraw/zinc/57/50/86/347575086.db2.gz XYWASZNHGWVONA-MRVPVSSYSA-N 0 0 240.284 2.179 20 5 BEBDRN O=[N+]([O-])c1cnc(S[C@H]2CCOC2)c(F)c1 ZINC000591158386 347626780 /nfs/dbraw/zinc/62/67/80/347626780.db2.gz DEYNKKDPQMVYPX-ZETCQYMHSA-N 0 0 244.247 2.010 20 5 BEBDRN CC(C)(C)C1CN(c2cccnc2[N+](=O)[O-])C1 ZINC000591169818 347628489 /nfs/dbraw/zinc/62/84/89/347628489.db2.gz SJBQJKZTCQUQDX-UHFFFAOYSA-N 0 0 235.287 2.472 20 5 BEBDRN C[C@@H]1[C@@H](C)[C@H](C)CN1c1cccnc1[N+](=O)[O-] ZINC000591368969 347654810 /nfs/dbraw/zinc/65/48/10/347654810.db2.gz CEOXZUBQTWYRRI-KXUCPTDWSA-N 0 0 235.287 2.471 20 5 BEBDRN C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccncc1[N+](=O)[O-] ZINC000591369057 347654837 /nfs/dbraw/zinc/65/48/37/347654837.db2.gz QFFPIVYWBXDNCF-KXUCPTDWSA-N 0 0 235.287 2.471 20 5 BEBDRN COC[C@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000308575672 347874313 /nfs/dbraw/zinc/87/43/13/347874313.db2.gz DHPKXHAPPHPWBN-LURJTMIESA-N 0 0 216.262 2.103 20 5 BEBDRN CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000201782122 347929036 /nfs/dbraw/zinc/92/90/36/347929036.db2.gz XXJMEAPWFMSQSI-UHFFFAOYSA-N 0 0 236.271 2.006 20 5 BEBDRN CCOCn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000594470647 348053967 /nfs/dbraw/zinc/05/39/67/348053967.db2.gz PKTJKQHWCRJYHB-UHFFFAOYSA-N 0 0 247.254 2.452 20 5 BEBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000203090399 348103551 /nfs/dbraw/zinc/10/35/51/348103551.db2.gz CWGXQYDOOSICGM-VIFPVBQESA-N 0 0 206.245 2.441 20 5 BEBDRN CCC(CC)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000594891292 348125241 /nfs/dbraw/zinc/12/52/41/348125241.db2.gz XKLBFYZTCGXXRR-UHFFFAOYSA-N 0 0 224.260 2.193 20 5 BEBDRN Cc1cccn(Cc2ccccc2[N+](=O)[O-])c1=O ZINC000069628705 179352678 /nfs/dbraw/zinc/35/26/78/179352678.db2.gz WMPQSXJABUDDLS-UHFFFAOYSA-N 0 0 244.250 2.113 20 5 BEBDRN CC(C)(C)c1cn(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC000594640838 348097147 /nfs/dbraw/zinc/09/71/47/348097147.db2.gz RMXQNEFQOLNOEW-UHFFFAOYSA-N 0 0 246.270 2.473 20 5 BEBDRN Cc1cc(N2CCO[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596065586 348436178 /nfs/dbraw/zinc/43/61/78/348436178.db2.gz SZQNIOAPBCGDEC-ZETCQYMHSA-N 0 0 242.300 2.190 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(=O)n1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000596019825 348423204 /nfs/dbraw/zinc/42/32/04/348423204.db2.gz HQBOFKCYZOYOIB-JGPRNRPPSA-N 0 0 248.282 2.111 20 5 BEBDRN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000596246569 348486399 /nfs/dbraw/zinc/48/63/99/348486399.db2.gz DYVSVUGKAGPMGP-BQBZGAKWSA-N 0 0 241.678 2.488 20 5 BEBDRN O=c1[nH]ccc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000596290321 348488904 /nfs/dbraw/zinc/48/89/04/348488904.db2.gz CATQKYNMGBRKGR-IWSPIJDZSA-N 0 0 249.270 2.296 20 5 BEBDRN O=c1[nH]ccc(N[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000596137516 348448177 /nfs/dbraw/zinc/44/81/77/348448177.db2.gz XFGRDOZZWQKCHP-MRVPVSSYSA-N 0 0 235.243 2.216 20 5 BEBDRN O=c1[nH]ccc(N2CCCC3(CC3)C2)c1[N+](=O)[O-] ZINC000596195455 348458647 /nfs/dbraw/zinc/45/86/47/348458647.db2.gz DRGJTANKWSFRJT-UHFFFAOYSA-N 0 0 249.270 2.076 20 5 BEBDRN CC1(C)CN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596215019 348467503 /nfs/dbraw/zinc/46/75/03/348467503.db2.gz PNQOCBWEDXHFHE-UHFFFAOYSA-N 0 0 241.678 2.489 20 5 BEBDRN Cc1cc(NCCF)c([N+](=O)[O-])s1 ZINC000596216306 348468283 /nfs/dbraw/zinc/46/82/83/348468283.db2.gz MTZRVXNGPCJVNT-UHFFFAOYSA-N 0 0 204.226 2.346 20 5 BEBDRN Cc1cc(N[C@H]2[C@@H]3COC[C@@H]32)c([N+](=O)[O-])s1 ZINC000596218037 348469310 /nfs/dbraw/zinc/46/93/10/348469310.db2.gz RTYQLTVIQXWRJJ-QMSLJYSESA-N 0 0 240.284 2.021 20 5 BEBDRN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000596249474 348473190 /nfs/dbraw/zinc/47/31/90/348473190.db2.gz QBRGWYKIOHJORJ-HTQZYQBOSA-N 0 0 246.270 2.316 20 5 BEBDRN Cc1nc(N2C[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596251889 348474284 /nfs/dbraw/zinc/47/42/84/348474284.db2.gz YPLYLJVRYWWFMV-VXNVDRBHSA-N 0 0 221.260 2.143 20 5 BEBDRN CC[C@@H]1C[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596255504 348476216 /nfs/dbraw/zinc/47/62/16/348476216.db2.gz SAAFHAFNPWXZCG-SFYZADRCSA-N 0 0 237.259 2.153 20 5 BEBDRN O=[N+]([O-])c1ccccc1Cn1cc(C2CC2)nn1 ZINC000596309411 348492895 /nfs/dbraw/zinc/49/28/95/348492895.db2.gz WYZMBKWGWKKWGR-UHFFFAOYSA-N 0 0 244.254 2.112 20 5 BEBDRN Cc1noc(COc2cccc(C)n2)c1[N+](=O)[O-] ZINC000596272309 348493309 /nfs/dbraw/zinc/49/33/09/348493309.db2.gz XIVPMOWZBSYWPX-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CC[C@H](C)CCNc1ncc([N+](=O)[O-])s1 ZINC000596415331 348539950 /nfs/dbraw/zinc/53/99/50/348539950.db2.gz IQWRJOYGYGDHRF-ZETCQYMHSA-N 0 0 229.305 2.321 20 5 BEBDRN CCNc1cc(OC)c(C)cc1[N+](=O)[O-] ZINC000308776994 348546897 /nfs/dbraw/zinc/54/68/97/348546897.db2.gz IEKDODVFRRCWDL-UHFFFAOYSA-N 0 0 210.233 2.344 20 5 BEBDRN COC[C@H](C)SCc1onc(C)c1[N+](=O)[O-] ZINC000596348329 348503240 /nfs/dbraw/zinc/50/32/40/348503240.db2.gz QSKMQGOFAPESFW-LURJTMIESA-N 0 0 246.288 2.159 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@]23C[C@@H]2CCC3)cn1 ZINC000596316297 348505305 /nfs/dbraw/zinc/50/53/05/348505305.db2.gz IQTCEZQAMVOPFK-KWQFWETISA-N 0 0 219.244 2.344 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H](CO)C2CCC2)cc1 ZINC000596324384 348507065 /nfs/dbraw/zinc/50/70/65/348507065.db2.gz HTRXCXZLUQVKCQ-GFCCVEGCSA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)C2CCC2)s1 ZINC000596324685 348507651 /nfs/dbraw/zinc/50/76/51/348507651.db2.gz KBMZLCWLNNRHAC-QMMMGPOBSA-N 0 0 242.300 2.229 20 5 BEBDRN CN(C[C@@H]1CC1(C)C)c1ccc([N+](=O)[O-])nc1 ZINC000596566171 348580672 /nfs/dbraw/zinc/58/06/72/348580672.db2.gz YNUPYOUWYXZKGX-VIFPVBQESA-N 0 0 235.287 2.472 20 5 BEBDRN CN(C[C@@H]1CC1(C)C)c1ccc([N+](=O)[O-])cn1 ZINC000596568877 348581421 /nfs/dbraw/zinc/58/14/21/348581421.db2.gz XYXMNHADOONIFL-VIFPVBQESA-N 0 0 235.287 2.472 20 5 BEBDRN CC1C[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])cn1 ZINC000596545250 348584955 /nfs/dbraw/zinc/58/49/55/348584955.db2.gz UEZOFMSYGUIIHI-PBINXNQUSA-N 0 0 248.286 2.152 20 5 BEBDRN Cc1cc(N2CC3CC2(C)C3)ncc1[N+](=O)[O-] ZINC000596573973 348590968 /nfs/dbraw/zinc/59/09/68/348590968.db2.gz BVPQTDKLSYROGE-UHFFFAOYSA-N 0 0 233.271 2.287 20 5 BEBDRN C[C@@]1(CNc2ccc([N+](=O)[O-])cn2)CC1(F)F ZINC000596477138 348555665 /nfs/dbraw/zinc/55/56/65/348555665.db2.gz MNJFIWVJIWSBKX-VIFPVBQESA-N 0 0 243.213 2.447 20 5 BEBDRN Cc1cc(NC2([C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000596524159 348564738 /nfs/dbraw/zinc/56/47/38/348564738.db2.gz QQNGBFYVLSFUQT-SECBINFHSA-N 0 0 236.271 2.229 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@@H]2COC[C@@H]2C1 ZINC000596529335 348566359 /nfs/dbraw/zinc/56/63/59/348566359.db2.gz QYTUDWCHIZPUCZ-MNOVXSKESA-N 0 0 248.282 2.068 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@@H]2COC[C@H]2C1 ZINC000596529334 348566466 /nfs/dbraw/zinc/56/64/66/348566466.db2.gz QYTUDWCHIZPUCZ-GHMZBOCLSA-N 0 0 248.282 2.068 20 5 BEBDRN COc1cccc(N2CC[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000596508759 348571988 /nfs/dbraw/zinc/57/19/88/348571988.db2.gz FGNUGKWUQZHOAM-NXEZZACHSA-N 0 0 248.282 2.450 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@@H]2C[C@@H]2C1 ZINC000596509720 348572458 /nfs/dbraw/zinc/57/24/58/348572458.db2.gz JWMASUQBCNENCR-NXEZZACHSA-N 0 0 218.256 2.441 20 5 BEBDRN Cc1cc(NCC2=CCCC2)ncc1[N+](=O)[O-] ZINC000596519352 348575712 /nfs/dbraw/zinc/57/57/12/348575712.db2.gz IRSOPINBPKJZAZ-UHFFFAOYSA-N 0 0 233.271 2.242 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CO[C@@H](C)C2)c1 ZINC000401903177 348653009 /nfs/dbraw/zinc/65/30/09/348653009.db2.gz GHQDNUSFWBEEBQ-UWVGGRQHSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cnc(NCC(C)C)c([N+](=O)[O-])c1 ZINC000085426785 179632385 /nfs/dbraw/zinc/63/23/85/179632385.db2.gz OCBVDHIWZRPEAN-UHFFFAOYSA-N 0 0 209.249 2.366 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CO[C@@H](C)C1 ZINC000401940149 348779997 /nfs/dbraw/zinc/77/99/97/348779997.db2.gz OJJBCZDWXXRJEA-UWVGGRQHSA-N 0 0 236.271 2.493 20 5 BEBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2C[C@@H]2C1 ZINC000598327310 348931150 /nfs/dbraw/zinc/93/11/50/348931150.db2.gz GIJNUZFQMWJFPJ-MWLCHTKSSA-N 0 0 246.266 2.077 20 5 BEBDRN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]2C[C@H]2C1 ZINC000598327938 348931288 /nfs/dbraw/zinc/93/12/88/348931288.db2.gz HHVJOHSPKVFUQB-UWVGGRQHSA-N 0 0 246.266 2.077 20 5 BEBDRN C[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CO1 ZINC000401974782 349000401 /nfs/dbraw/zinc/00/04/01/349000401.db2.gz RVXLHVYORJXLEY-IONNQARKSA-N 0 0 240.234 2.323 20 5 BEBDRN O=C(N[C@]12C[C@H]1CCC2)c1ccccc1[N+](=O)[O-] ZINC000598855654 349050312 /nfs/dbraw/zinc/05/03/12/349050312.db2.gz LAXAQENDZAUFKE-NOZJJQNGSA-N 0 0 246.266 2.267 20 5 BEBDRN CC1CC(CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000598643258 349008386 /nfs/dbraw/zinc/00/83/86/349008386.db2.gz LYEFIFWODPHDLE-UHFFFAOYSA-N 0 0 237.259 2.153 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCC[C@H]1CC1(F)F ZINC000598637620 349014925 /nfs/dbraw/zinc/01/49/25/349014925.db2.gz KKNHUTGVPKMIHW-ZETCQYMHSA-N 0 0 243.213 2.447 20 5 BEBDRN Cc1coc(Sc2ccncc2[N+](=O)[O-])n1 ZINC000340919222 179758011 /nfs/dbraw/zinc/75/80/11/179758011.db2.gz LCEFGPSRZWCZSG-UHFFFAOYSA-N 0 0 237.240 2.437 20 5 BEBDRN O=c1[nH]ccc(NCC2CC=CC2)c1[N+](=O)[O-] ZINC000599125883 349101854 /nfs/dbraw/zinc/10/18/54/349101854.db2.gz FBSQWUWGOJVVJK-UHFFFAOYSA-N 0 0 235.243 2.074 20 5 BEBDRN CN(CC1(C)COC1)c1ccccc1[N+](=O)[O-] ZINC000599144544 349104968 /nfs/dbraw/zinc/10/49/68/349104968.db2.gz GOPHKWUZTITWTA-UHFFFAOYSA-N 0 0 236.271 2.068 20 5 BEBDRN Cc1cc(NC[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])s1 ZINC000599174023 349112164 /nfs/dbraw/zinc/11/21/64/349112164.db2.gz IDIJPOMWQKSOKN-OCAPTIKFSA-N 0 0 242.300 2.148 20 5 BEBDRN CO[C@H]1C[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000599194054 349115810 /nfs/dbraw/zinc/11/58/10/349115810.db2.gz OFHCYDZJZIVXMQ-ZKCHVHJHSA-N 0 0 240.234 2.323 20 5 BEBDRN CO[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000599205571 349118583 /nfs/dbraw/zinc/11/85/83/349118583.db2.gz JJMVKDLPBTYZTJ-OCAPTIKFSA-N 0 0 242.300 2.493 20 5 BEBDRN CC[C@H](COC)Nc1ccc([N+](=O)[O-])s1 ZINC000308946103 349178836 /nfs/dbraw/zinc/17/88/36/349178836.db2.gz NTFHHSZTOMCONQ-SSDOTTSWSA-N 0 0 230.289 2.493 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC(C)(F)F)n1 ZINC000382239293 349300125 /nfs/dbraw/zinc/30/01/25/349300125.db2.gz RFVVTWCQWDURDK-UHFFFAOYSA-N 0 0 231.202 2.365 20 5 BEBDRN C[C@H](O)CCCNc1ccc([N+](=O)[O-])s1 ZINC000309048436 349402905 /nfs/dbraw/zinc/40/29/05/349402905.db2.gz PNUDLMQWRDYYQL-ZETCQYMHSA-N 0 0 230.289 2.229 20 5 BEBDRN C[C@H](O)CCCNc1ccsc1[N+](=O)[O-] ZINC000309037309 349370164 /nfs/dbraw/zinc/37/01/64/349370164.db2.gz IYVLZVCXYJXFOV-ZETCQYMHSA-N 0 0 230.289 2.229 20 5 BEBDRN CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)[C@@H](C)C1 ZINC000601930670 349383572 /nfs/dbraw/zinc/38/35/72/349383572.db2.gz CWQHJASIPNZMHC-QMMMGPOBSA-N 0 0 247.254 2.344 20 5 BEBDRN Cc1nc(CNc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000078263562 179976748 /nfs/dbraw/zinc/97/67/48/179976748.db2.gz IOQDKGQGZLVARR-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1nc(NC(=O)/C=C/C2CC2)ccc1[N+](=O)[O-] ZINC000268539030 180005680 /nfs/dbraw/zinc/00/56/80/180005680.db2.gz KKQHIYJEBYEVGE-QPJJXVBHSA-N 0 0 247.254 2.203 20 5 BEBDRN Cc1nc(NC(=O)C=C2CCC2)ccc1[N+](=O)[O-] ZINC000133874315 180006760 /nfs/dbraw/zinc/00/67/60/180006760.db2.gz QJMAYPMMWKVBHM-UHFFFAOYSA-N 0 0 247.254 2.347 20 5 BEBDRN Cc1nc(NC(=O)C[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000362012908 180007008 /nfs/dbraw/zinc/00/70/08/180007008.db2.gz MHNFKHDQHYIBRJ-APPZFPTMSA-N 0 0 249.270 2.283 20 5 BEBDRN Cc1nc(NC2(C)CCCC2)ncc1[N+](=O)[O-] ZINC000295626393 180015830 /nfs/dbraw/zinc/01/58/30/180015830.db2.gz WXVKOZMKUMRBTI-UHFFFAOYSA-N 0 0 236.275 2.438 20 5 BEBDRN Cc1nc(NCC2CC2)ccc1[N+](=O)[O-] ZINC000161513399 180016860 /nfs/dbraw/zinc/01/68/60/180016860.db2.gz QUZIZVCMEHTHPF-UHFFFAOYSA-N 0 0 207.233 2.120 20 5 BEBDRN Cc1nc(N[C@@H](C)c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000229871260 180021821 /nfs/dbraw/zinc/02/18/21/180021821.db2.gz OHMODLYKMQDBJE-ZETCQYMHSA-N 0 0 247.258 2.194 20 5 BEBDRN Cc1nc(N[C@@H]2CCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000297084018 180022675 /nfs/dbraw/zinc/02/26/75/180022675.db2.gz KAZPCBNBNYYHAG-VXNVDRBHSA-N 0 0 236.275 2.294 20 5 BEBDRN O=C1CCc2cc([N+](=O)[O-])c(NC3CC3)cc2N1 ZINC000132187065 191026929 /nfs/dbraw/zinc/02/69/29/191026929.db2.gz VQWXQTILOVDRKR-UHFFFAOYSA-N 0 0 247.254 2.054 20 5 BEBDRN CCCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000132186628 191026973 /nfs/dbraw/zinc/02/69/73/191026973.db2.gz WUSDAAHXTLCLEC-UHFFFAOYSA-N 0 0 237.259 2.435 20 5 BEBDRN Cc1c(C(=O)N2CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000604438278 350133121 /nfs/dbraw/zinc/13/31/21/350133121.db2.gz ALMWELQJBRIIER-MRVPVSSYSA-N 0 0 234.255 2.138 20 5 BEBDRN COC[C@H](C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000133150324 191037970 /nfs/dbraw/zinc/03/79/70/191037970.db2.gz YURHUEPMIGZHMP-MRVPVSSYSA-N 0 0 242.250 2.428 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCSC(C)C ZINC000330398201 180176352 /nfs/dbraw/zinc/17/63/52/180176352.db2.gz CDHFWCUWDNJNQO-UHFFFAOYSA-N 0 0 229.305 2.241 20 5 BEBDRN CC(C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000121707812 191072324 /nfs/dbraw/zinc/07/23/24/191072324.db2.gz CNROFHYUBOSFKM-QMMMGPOBSA-N 0 0 240.259 2.352 20 5 BEBDRN O=[N+]([O-])c1sccc1NC[C@@H](O)C1CCC1 ZINC000315648641 350203030 /nfs/dbraw/zinc/20/30/30/350203030.db2.gz BBDYQBSEOGXKGC-SECBINFHSA-N 0 0 242.300 2.229 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCC(F)(F)F ZINC000330851348 180176737 /nfs/dbraw/zinc/17/67/37/180176737.db2.gz QDNOZHUYCCKEIB-UHFFFAOYSA-N 0 0 223.154 2.052 20 5 BEBDRN CC1(C)C[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000226234872 350410878 /nfs/dbraw/zinc/41/08/78/350410878.db2.gz MMORECDTRHJRLK-QMMMGPOBSA-N 0 0 221.260 2.448 20 5 BEBDRN Cc1nn([C@@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295295375 180392469 /nfs/dbraw/zinc/39/24/69/180392469.db2.gz JQNPNTSUQOMIJD-VXNVDRBHSA-N 0 0 209.249 2.461 20 5 BEBDRN Cc1nn([C@H]2C=CCCC2)cc1[N+](=O)[O-] ZINC000295402503 180393418 /nfs/dbraw/zinc/39/34/18/180393418.db2.gz RYKAULQRNZOYJI-VIFPVBQESA-N 0 0 207.233 2.381 20 5 BEBDRN Cc1nn([C@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295295365 180393456 /nfs/dbraw/zinc/39/34/56/180393456.db2.gz JQNPNTSUQOMIJD-CBAPKCEASA-N 0 0 209.249 2.461 20 5 BEBDRN Cc1nn(CCCCF)c(C)c1[N+](=O)[O-] ZINC000285136110 180387569 /nfs/dbraw/zinc/38/75/69/180387569.db2.gz LDNCCHVBZDZDBE-UHFFFAOYSA-N 0 0 215.228 2.158 20 5 BEBDRN Cc1nn(CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000278215626 180388501 /nfs/dbraw/zinc/38/85/01/180388501.db2.gz WPLFXTXAEMLADQ-UHFFFAOYSA-N 0 0 249.245 2.482 20 5 BEBDRN O=[N+]([O-])c1ncccc1NC[C@@H]1CCSC1 ZINC000228583681 350547814 /nfs/dbraw/zinc/54/78/14/350547814.db2.gz ILPKUTVPBGKFJY-QMMMGPOBSA-N 0 0 239.300 2.155 20 5 BEBDRN CCC(=O)[C@@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000120427038 350599438 /nfs/dbraw/zinc/59/94/38/350599438.db2.gz KXYBFXVBERBOQI-SSDOTTSWSA-N 0 0 240.284 2.450 20 5 BEBDRN CC1(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000177572117 366009873 /nfs/dbraw/zinc/00/98/73/366009873.db2.gz XKTNGOCNUDEJLY-UHFFFAOYSA-N 0 0 246.266 2.284 20 5 BEBDRN Cc1cc(S[C@@H](C)CCO)ncc1[N+](=O)[O-] ZINC000086002796 350852793 /nfs/dbraw/zinc/85/27/93/350852793.db2.gz JPMJZDMSHSQFNO-QMMMGPOBSA-N 0 0 242.300 2.161 20 5 BEBDRN CC(C)[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000343903347 350996427 /nfs/dbraw/zinc/99/64/27/350996427.db2.gz YRAYIXTXJGJOSP-SNVBAGLBSA-N 0 0 235.287 2.472 20 5 BEBDRN Cc1cc(N[C@@H]2C[C@@H]2C(F)F)ncc1[N+](=O)[O-] ZINC000343832887 350998541 /nfs/dbraw/zinc/99/85/41/350998541.db2.gz DONRJFTZSJVOKJ-NKWVEPMBSA-N 0 0 243.213 2.364 20 5 BEBDRN Cc1cc(N[C@@H]2C[C@H]2C(F)F)ncc1[N+](=O)[O-] ZINC000343832893 350998912 /nfs/dbraw/zinc/99/89/12/350998912.db2.gz DONRJFTZSJVOKJ-RNFRBKRXSA-N 0 0 243.213 2.364 20 5 BEBDRN CN(CC(C)(C)C)c1ccc([N+](=O)[O-])nc1 ZINC000344421020 351124857 /nfs/dbraw/zinc/12/48/57/351124857.db2.gz OXNJUKCBAKISTP-UHFFFAOYSA-N 0 0 223.276 2.472 20 5 BEBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H](C)O ZINC000386739323 363036363 /nfs/dbraw/zinc/03/63/63/363036363.db2.gz CZUJTWWUNFVZSA-OIBJUYFYSA-N 0 0 242.250 2.305 20 5 BEBDRN C[C@@H](O)CCCSc1ncccc1[N+](=O)[O-] ZINC000356047518 351571760 /nfs/dbraw/zinc/57/17/60/351571760.db2.gz SSRLTPLBNZILKV-MRVPVSSYSA-N 0 0 242.300 2.243 20 5 BEBDRN CS[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000031701918 351746067 /nfs/dbraw/zinc/74/60/67/351746067.db2.gz UKLXEWHDGCUABS-SSDOTTSWSA-N 0 0 240.284 2.285 20 5 BEBDRN CC(C)(O)CCOc1ccc([N+](=O)[O-])cc1 ZINC000081676374 187619510 /nfs/dbraw/zinc/61/95/10/187619510.db2.gz FVOMNZKCVGDWTR-UHFFFAOYSA-N 0 0 225.244 2.135 20 5 BEBDRN CC(C)(F)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000092569267 187626426 /nfs/dbraw/zinc/62/64/26/187626426.db2.gz HFDSBIQMKGCQCN-UHFFFAOYSA-N 0 0 241.218 2.386 20 5 BEBDRN CC1(C)C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000299117744 187702099 /nfs/dbraw/zinc/70/20/99/187702099.db2.gz ZEYHBDHCJWBIPD-SNVBAGLBSA-N 0 0 234.255 2.123 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NC1(C)CCCC1 ZINC000042187647 180771991 /nfs/dbraw/zinc/77/19/91/180771991.db2.gz OCTOBSGZKURZEH-UHFFFAOYSA-N 0 0 224.264 2.073 20 5 BEBDRN COC1(C)CN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000617462258 352709734 /nfs/dbraw/zinc/70/97/34/352709734.db2.gz WUTWODYSSRXESA-UHFFFAOYSA-N 0 0 236.271 2.128 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@H]1CC2CCC1CC2 ZINC000336794708 187909017 /nfs/dbraw/zinc/90/90/17/187909017.db2.gz FBTQFEHIMHOEHY-CBINBANVSA-N 0 0 247.298 2.402 20 5 BEBDRN COc1ccc(OCCSC)cc1[N+](=O)[O-] ZINC000190189907 188001832 /nfs/dbraw/zinc/00/18/32/188001832.db2.gz WDVUUXPNHNNWMP-UHFFFAOYSA-N 0 0 243.284 2.345 20 5 BEBDRN O=[N+]([O-])c1ncccc1OC1CCCC1 ZINC000096550217 188017222 /nfs/dbraw/zinc/01/72/22/188017222.db2.gz AEDYTPJEUXWLOT-UHFFFAOYSA-N 0 0 208.217 2.311 20 5 BEBDRN CC(C)=CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000191812854 188004106 /nfs/dbraw/zinc/00/41/06/188004106.db2.gz QNIFOPCASMYBLZ-UHFFFAOYSA-N 0 0 248.282 2.220 20 5 BEBDRN Cc1c(OCC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000134044719 353157784 /nfs/dbraw/zinc/15/77/84/353157784.db2.gz YDXOFUJVXOAXOY-QMMMGPOBSA-N 0 0 225.244 2.053 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCCOC2)s1 ZINC000048999851 353163195 /nfs/dbraw/zinc/16/31/95/353163195.db2.gz BCSXOTUSKKYPNV-QMMMGPOBSA-N 0 0 242.300 2.495 20 5 BEBDRN C/C=C/CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000600492123 363208199 /nfs/dbraw/zinc/20/81/99/363208199.db2.gz PONWUCKJOQPWMV-ONEGZZNKSA-N 0 0 234.255 2.209 20 5 BEBDRN CCCCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000005418629 168714143 /nfs/dbraw/zinc/71/41/43/168714143.db2.gz VVPIIMPYSWBOMR-UHFFFAOYSA-N 0 0 226.232 2.108 20 5 BEBDRN O=[N+]([O-])c1c[nH]c(-c2nc(CCC3CC3)no2)c1 ZINC000357667338 188239227 /nfs/dbraw/zinc/23/92/27/188239227.db2.gz PJDRBHYUASQWMU-UHFFFAOYSA-N 0 0 248.242 2.316 20 5 BEBDRN Cc1nccc(CNc2ccc([N+](=O)[O-])cc2)n1 ZINC000037999321 188255029 /nfs/dbraw/zinc/25/50/29/188255029.db2.gz CRXDMRWIFZUSQA-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023243580 188282945 /nfs/dbraw/zinc/28/29/45/188282945.db2.gz KVRZOEULLBLIQR-XCBNKYQSSA-N 0 0 220.228 2.189 20 5 BEBDRN CC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000063447037 188304110 /nfs/dbraw/zinc/30/41/10/188304110.db2.gz PBZKILOXCXSMMQ-UHFFFAOYSA-N 0 0 226.207 2.328 20 5 BEBDRN CC(C)(F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000092148180 188305114 /nfs/dbraw/zinc/30/51/14/188305114.db2.gz XAFSSKXYBVTMSP-UHFFFAOYSA-N 0 0 226.207 2.281 20 5 BEBDRN O=[N+]([O-])c1cnc(NCc2ccoc2)s1 ZINC000189690650 353316057 /nfs/dbraw/zinc/31/60/57/353316057.db2.gz XIRVHTPKGMPAFV-UHFFFAOYSA-N 0 0 225.229 2.256 20 5 BEBDRN CC(C)C[C@H](O)CNc1sccc1[N+](=O)[O-] ZINC000301979118 188336861 /nfs/dbraw/zinc/33/68/61/188336861.db2.gz FOLGJOMTONEONJ-QMMMGPOBSA-N 0 0 244.316 2.475 20 5 BEBDRN CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000172414792 188339102 /nfs/dbraw/zinc/33/91/02/188339102.db2.gz JPWGJXWXHFDCBK-UHFFFAOYSA-N 0 0 236.271 2.054 20 5 BEBDRN CC(C)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000264182051 188371209 /nfs/dbraw/zinc/37/12/09/188371209.db2.gz MFXMQKBBGKCOFF-UHFFFAOYSA-N 0 0 248.242 2.350 20 5 BEBDRN Cc1cnc(N(C)C(C)C)c([N+](=O)[O-])c1 ZINC000266241873 188371905 /nfs/dbraw/zinc/37/19/05/188371905.db2.gz XKYLAUXIXSYKSL-UHFFFAOYSA-N 0 0 209.249 2.143 20 5 BEBDRN CC(C)=CCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000284311273 188385221 /nfs/dbraw/zinc/38/52/21/188385221.db2.gz SMUAZWKBQQTCAC-UHFFFAOYSA-N 0 0 222.244 2.031 20 5 BEBDRN Cc1ccn(CCC(C)C)c(=O)c1[N+](=O)[O-] ZINC000340695171 188396702 /nfs/dbraw/zinc/39/67/02/188396702.db2.gz JKGIUXLHRISNJY-UHFFFAOYSA-N 0 0 224.260 2.111 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCOCC(F)F)cc1 ZINC000231678489 353642374 /nfs/dbraw/zinc/64/23/74/353642374.db2.gz DZTQKXQDTIGEGC-UHFFFAOYSA-N 0 0 246.213 2.288 20 5 BEBDRN O=[N+]([O-])c1cn(C/C(Cl)=C/Cl)cn1 ZINC000129593544 353740624 /nfs/dbraw/zinc/74/06/24/353740624.db2.gz NJWNSPJLHOSYQF-KTAJNNJTSA-N 0 0 222.031 2.110 20 5 BEBDRN O=C(/C=C/C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000074235223 354344123 /nfs/dbraw/zinc/34/41/23/354344123.db2.gz YPMWBFLCGZLCQQ-FPYGCLRLSA-N 0 0 232.239 2.500 20 5 BEBDRN Cc1[nH]ccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000178849038 366170944 /nfs/dbraw/zinc/17/09/44/366170944.db2.gz NLXTWSDPMMIPPQ-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN Cc1nccnc1COc1cccc([N+](=O)[O-])c1 ZINC001640678979 1172183483 /nfs/dbraw/zinc/18/34/83/1172183483.db2.gz VFNPFDKKQYSMPI-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN CC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413027471 191331126 /nfs/dbraw/zinc/33/11/26/191331126.db2.gz ZDERIILFEAQTDH-ZCFIWIBFSA-N 0 0 213.212 2.339 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H]1CCC(C)(C)O1 ZINC000412992605 191331349 /nfs/dbraw/zinc/33/13/49/191331349.db2.gz MWJROEYHCASHIV-VIFPVBQESA-N 0 0 239.275 2.057 20 5 BEBDRN Cc1ccc(Cn2nccc2[N+](=O)[O-])c(C)c1 ZINC000412995398 191332457 /nfs/dbraw/zinc/33/24/57/191332457.db2.gz SEQLYIVWIRYUAE-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CSC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413155946 191356703 /nfs/dbraw/zinc/35/67/03/191356703.db2.gz NJQBWIRFKHQDCO-ZCFIWIBFSA-N 0 0 245.279 2.292 20 5 BEBDRN CC1CC(Nc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413176285 191361559 /nfs/dbraw/zinc/36/15/59/191361559.db2.gz GSBVYFXKCODSQU-UHFFFAOYSA-N 0 0 225.223 2.339 20 5 BEBDRN CCC[C@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000413000938 191335922 /nfs/dbraw/zinc/33/59/22/191335922.db2.gz OMHMYIAJKPQZIE-VIFPVBQESA-N 0 0 242.300 2.243 20 5 BEBDRN Cc1nn(C2CC(OC(C)C)C2)cc1[N+](=O)[O-] ZINC000413003384 191336936 /nfs/dbraw/zinc/33/69/36/191336936.db2.gz PYKRCMBLRUEPDR-UHFFFAOYSA-N 0 0 239.275 2.228 20 5 BEBDRN CCN(c1ncc([N+](=O)[O-])cc1F)C(C)C ZINC000413064556 191351631 /nfs/dbraw/zinc/35/16/31/191351631.db2.gz GZVPEPMXDVXCIS-UHFFFAOYSA-N 0 0 227.239 2.364 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000413467112 191383454 /nfs/dbraw/zinc/38/34/54/191383454.db2.gz ZGDREOAEFMKHGN-KXUCPTDWSA-N 0 0 233.271 2.012 20 5 BEBDRN Cc1nc(N[C@@H]2C[C@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000413444921 191384802 /nfs/dbraw/zinc/38/48/02/191384802.db2.gz WTBCVTPLQAHDDL-DTWKUNHWSA-N 0 0 236.275 2.150 20 5 BEBDRN CC[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413185001 191362611 /nfs/dbraw/zinc/36/26/11/191362611.db2.gz LAGKKRCYURSQII-MRVPVSSYSA-N 0 0 239.250 2.365 20 5 BEBDRN C[C@@H](F)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413294516 191369436 /nfs/dbraw/zinc/36/94/36/191369436.db2.gz IHYHBAGTNGUGFU-ZCFIWIBFSA-N 0 0 231.202 2.289 20 5 BEBDRN CCC1CN(c2ncc([N+](=O)[O-])cc2C)C1 ZINC000413355696 191374098 /nfs/dbraw/zinc/37/40/98/191374098.db2.gz BGWFRJCUUACGHO-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN CC(C)(C)C1CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000413363891 191374539 /nfs/dbraw/zinc/37/45/39/191374539.db2.gz NFPLKWXVZFEKGT-UHFFFAOYSA-N 0 0 235.287 2.472 20 5 BEBDRN CCC1CN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000413358036 191374594 /nfs/dbraw/zinc/37/45/94/191374594.db2.gz FCOKMFMUILBDBH-UHFFFAOYSA-N 0 0 235.287 2.453 20 5 BEBDRN CCC1CN(c2nc(C)ccc2[N+](=O)[O-])C1 ZINC000413369601 191376675 /nfs/dbraw/zinc/37/66/75/191376675.db2.gz TZACKTRRLKMMBJ-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN CCO[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000413388374 191377904 /nfs/dbraw/zinc/37/79/04/191377904.db2.gz QMCUIGZMWDVFCB-KNVOCYPGSA-N 0 0 243.288 2.031 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCCS2)nc1 ZINC000087475301 355287802 /nfs/dbraw/zinc/28/78/02/355287802.db2.gz LYEVAQREVRGFRI-SECBINFHSA-N 0 0 239.300 2.297 20 5 BEBDRN Cc1cc(OCC2(C)COC2)ccc1[N+](=O)[O-] ZINC000345490428 355366165 /nfs/dbraw/zinc/36/61/65/355366165.db2.gz UQSBMWFRGICECQ-UHFFFAOYSA-N 0 0 237.255 2.319 20 5 BEBDRN CO[C@@H](CC(C)C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000416908062 191768897 /nfs/dbraw/zinc/76/88/97/191768897.db2.gz CRMGDKAZHJKJBZ-JTQLQIEISA-N 0 0 241.291 2.161 20 5 BEBDRN COCCSCc1cccc([N+](=O)[O-])c1 ZINC000074257112 355808234 /nfs/dbraw/zinc/80/82/34/355808234.db2.gz RITVRWWRMHYDHW-UHFFFAOYSA-N 0 0 227.285 2.474 20 5 BEBDRN Cc1cc(N2CCSCC2)ccc1[N+](=O)[O-] ZINC000034605030 355909255 /nfs/dbraw/zinc/90/92/55/355909255.db2.gz LYSIUKZWEFNCDN-UHFFFAOYSA-N 0 0 238.312 2.456 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCc2ccncc2)cn1 ZINC000053297423 356210431 /nfs/dbraw/zinc/21/04/31/356210431.db2.gz SPFYFCHBCIXZTJ-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCOC1 ZINC000035255723 356450221 /nfs/dbraw/zinc/45/02/21/356450221.db2.gz VGZKAPOITWQQLU-MRVPVSSYSA-N 0 0 240.234 2.182 20 5 BEBDRN COC[C@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000035277302 356460239 /nfs/dbraw/zinc/46/02/39/356460239.db2.gz VKCGXXCPIPBSJF-VIFPVBQESA-N 0 0 224.260 2.350 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2C2CC2)cn1 ZINC000609797180 356472929 /nfs/dbraw/zinc/47/29/29/356472929.db2.gz LOBGNASYWMLGMU-LLVKDONJSA-N 0 0 233.271 2.369 20 5 BEBDRN CC[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H](C)O ZINC000387443322 366257036 /nfs/dbraw/zinc/25/70/36/366257036.db2.gz PULKVQBRNMZGKJ-CBAPKCEASA-N 0 0 242.250 2.305 20 5 BEBDRN CC/C=C\CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000384729465 356734376 /nfs/dbraw/zinc/73/43/76/356734376.db2.gz JDVALLWFLINPDM-SREVYHEPSA-N 0 0 238.291 2.498 20 5 BEBDRN Cc1nc(N2CC3(C2)CCCC3)ncc1[N+](=O)[O-] ZINC000450456392 202170748 /nfs/dbraw/zinc/17/07/48/202170748.db2.gz XRPLDAIDQJDLFM-UHFFFAOYSA-N 0 0 248.286 2.074 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H](C)CO)c1 ZINC000088725096 356795121 /nfs/dbraw/zinc/79/51/21/356795121.db2.gz OPGHJGRUSGJZMB-VHSXEESVSA-N 0 0 238.287 2.332 20 5 BEBDRN C[C@H](CCCO)Nc1ccc([N+](=O)[O-])s1 ZINC000088758137 356807912 /nfs/dbraw/zinc/80/79/12/356807912.db2.gz DTXQXGNGVGLSPX-SSDOTTSWSA-N 0 0 230.289 2.229 20 5 BEBDRN CC/C=C\CCn1cc([N+](=O)[O-])c(C)n1 ZINC000346250459 357000235 /nfs/dbraw/zinc/00/02/35/357000235.db2.gz JKTNBOBCBYQTLG-PLNGDYQASA-N 0 0 209.249 2.456 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](F)C2)c1 ZINC000450605715 202208898 /nfs/dbraw/zinc/20/88/98/202208898.db2.gz QIKYYFQKJMEODH-VIFPVBQESA-N 0 0 224.235 2.451 20 5 BEBDRN O=[N+]([O-])c1cccc(-c2ncn(CC3CC3)n2)c1 ZINC000130010050 357138340 /nfs/dbraw/zinc/13/83/40/357138340.db2.gz DKQLTWVZVSSZHB-UHFFFAOYSA-N 0 0 244.254 2.263 20 5 BEBDRN Cc1cc(Oc2ccccc2[N+](=O)[O-])ncn1 ZINC000346633686 357118587 /nfs/dbraw/zinc/11/85/87/357118587.db2.gz ZSVKYNBYXGUFAB-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1CSCCO ZINC000050444793 357513249 /nfs/dbraw/zinc/51/32/49/357513249.db2.gz NQOAJWNDWJLDFJ-UHFFFAOYSA-N 0 0 247.703 2.474 20 5 BEBDRN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)CS1 ZINC000397868364 357757339 /nfs/dbraw/zinc/75/73/39/357757339.db2.gz ILIICRPLRQVJKT-NTSWFWBYSA-N 0 0 245.329 2.357 20 5 BEBDRN C[C@@H](O)CCOc1c(Cl)cccc1[N+](=O)[O-] ZINC000235224875 357858351 /nfs/dbraw/zinc/85/83/51/357858351.db2.gz KPMXAOQEHKTXOM-SSDOTTSWSA-N 0 0 245.662 2.398 20 5 BEBDRN CC1(C)CN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000619146988 358004121 /nfs/dbraw/zinc/00/41/21/358004121.db2.gz LECMVYXYAUVFBT-UHFFFAOYSA-N 0 0 234.255 2.077 20 5 BEBDRN CC[C@@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)N=C1C ZINC000103316167 358044784 /nfs/dbraw/zinc/04/47/84/358044784.db2.gz GGRQHYCEYVVHDG-NSHDSACASA-N 0 0 247.254 2.344 20 5 BEBDRN O=[N+]([O-])c1cc2c(nc1NCCF)CCCC2 ZINC000584718504 358160383 /nfs/dbraw/zinc/16/03/83/358160383.db2.gz QHHFCXWSXCQQBX-UHFFFAOYSA-N 0 0 239.250 2.250 20 5 BEBDRN CC(F)(F)CCOc1cccnc1[N+](=O)[O-] ZINC000450671917 202232493 /nfs/dbraw/zinc/23/24/93/202232493.db2.gz GTPWYIWZRXPZBQ-UHFFFAOYSA-N 0 0 232.186 2.414 20 5 BEBDRN Cc1nn(Cc2ccc(C)cn2)c(C)c1[N+](=O)[O-] ZINC000610928377 358244915 /nfs/dbraw/zinc/24/49/15/358244915.db2.gz GOKJEDFDVLQUDS-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN Cc1nccnc1NCc1ccc([N+](=O)[O-])cc1 ZINC000214284545 358769205 /nfs/dbraw/zinc/76/92/05/358769205.db2.gz MHJXTRKYVLAZEJ-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1c(NC(=O)c2ccc[nH]2)cccc1[N+](=O)[O-] ZINC000061197369 358931668 /nfs/dbraw/zinc/93/16/68/358931668.db2.gz GGJRKJZUDPRMGJ-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN CC(=O)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000072626077 359087166 /nfs/dbraw/zinc/08/71/66/359087166.db2.gz YBQPUAQKEGOOMI-UHFFFAOYSA-N 0 0 245.238 2.047 20 5 BEBDRN CSCCCN(C)c1cccnc1[N+](=O)[O-] ZINC000619589996 359288986 /nfs/dbraw/zinc/28/89/86/359288986.db2.gz MQPWSPHMNIRUEE-UHFFFAOYSA-N 0 0 241.316 2.179 20 5 BEBDRN CCc1ccc([N+](=O)[O-])cc1NC(C)=O ZINC000141082349 359587687 /nfs/dbraw/zinc/58/76/87/359587687.db2.gz ZFJQKHIBNXOARR-UHFFFAOYSA-N 0 0 208.217 2.116 20 5 BEBDRN CCc1ncc(CNc2ccc([N+](=O)[O-])cn2)o1 ZINC000450844716 202284873 /nfs/dbraw/zinc/28/48/73/202284873.db2.gz INHLNDFYBFPXIF-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN Cc1nc(NC[C@@H]2C[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000450930397 202312649 /nfs/dbraw/zinc/31/26/49/202312649.db2.gz WSCWZXWDTQGSLL-QWRGUYRKSA-N 0 0 247.298 2.178 20 5 BEBDRN Cc1nn(C[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000450958642 202321676 /nfs/dbraw/zinc/32/16/76/202321676.db2.gz LKNSVZGMIXXRGK-YFKPBYRVSA-N 0 0 237.181 2.298 20 5 BEBDRN CC(C)[C@@H]1CCN1c1ccc([N+](=O)[O-])cn1 ZINC000450813771 259503246 /nfs/dbraw/zinc/50/32/46/259503246.db2.gz PFVHIMSGHNZNND-JTQLQIEISA-N 0 0 221.260 2.225 20 5 BEBDRN CCN(C[C@@H](C)OC)c1ccccc1[N+](=O)[O-] ZINC000292238458 169883752 /nfs/dbraw/zinc/88/37/52/169883752.db2.gz GGAASBWKIUYONP-SNVBAGLBSA-N 0 0 238.287 2.456 20 5 BEBDRN Cc1cc(C(=O)N[C@@H]2C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000171044858 361229017 /nfs/dbraw/zinc/22/90/17/361229017.db2.gz HNWUHUWTBDOWMA-LDYMZIIASA-N 0 0 234.255 2.041 20 5 BEBDRN C[C@H]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)C1 ZINC000428661666 201033375 /nfs/dbraw/zinc/03/33/75/201033375.db2.gz UWYZFKCWZIRDNL-DTWKUNHWSA-N 0 0 236.275 2.010 20 5 BEBDRN CCOCCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000436188619 201311772 /nfs/dbraw/zinc/31/17/72/201311772.db2.gz NSUIEHLHXZHOAW-UHFFFAOYSA-N 0 0 239.275 2.095 20 5 BEBDRN CC[C@@H]1CN(c2ccsc2[N+](=O)[O-])CCO1 ZINC000067911734 370722558 /nfs/dbraw/zinc/72/25/58/370722558.db2.gz YHXNQFZNPPEURN-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000619147517 364727900 /nfs/dbraw/zinc/72/79/00/364727900.db2.gz ZSTBZQKELNPPTP-UHFFFAOYSA-N 0 0 234.255 2.077 20 5 BEBDRN C[C@@H]1CSC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000309113847 541386609 /nfs/dbraw/zinc/38/66/09/541386609.db2.gz KQNXRRWAACSYKO-PHDIDXHHSA-N 0 0 245.329 2.215 20 5 BEBDRN CCN(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000575105746 365198459 /nfs/dbraw/zinc/19/84/59/365198459.db2.gz UWFPONYNKHWFAU-SECBINFHSA-N 0 0 236.271 2.177 20 5 BEBDRN Cc1cnn(CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000440065759 201471876 /nfs/dbraw/zinc/47/18/76/201471876.db2.gz BMLIBVSPNJCKJL-UHFFFAOYSA-N 0 0 231.255 2.342 20 5 BEBDRN C[C@H](C(=O)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000580808342 367170979 /nfs/dbraw/zinc/17/09/79/367170979.db2.gz WJAAQQWCYKZODV-VIFPVBQESA-N 0 0 248.282 2.319 20 5 BEBDRN COCCCOc1cccc([N+](=O)[O-])c1C ZINC000193894682 367223833 /nfs/dbraw/zinc/22/38/33/367223833.db2.gz ARWRLLXCLCNTCZ-UHFFFAOYSA-N 0 0 225.244 2.319 20 5 BEBDRN CC(C)N(C(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000531881699 370886584 /nfs/dbraw/zinc/88/65/84/370886584.db2.gz UBCPTJSCHKLKFR-UHFFFAOYSA-N 0 0 249.270 2.003 20 5 BEBDRN CC[C@H](Nc1ncccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000139771976 367994096 /nfs/dbraw/zinc/99/40/96/367994096.db2.gz ZFXSSKGOFVRZDY-QMMMGPOBSA-N 0 0 247.258 2.276 20 5 BEBDRN CN(Cc1ccncc1)c1ccc([N+](=O)[O-])cn1 ZINC000029874838 368244827 /nfs/dbraw/zinc/24/48/27/368244827.db2.gz HPLZWJALIMJDQI-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN CCC[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000042077627 368299468 /nfs/dbraw/zinc/29/94/68/368299468.db2.gz YVRAWAGOLIWXNB-MRVPVSSYSA-N 0 0 239.275 2.184 20 5 BEBDRN CC(C)(C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000042565814 368312602 /nfs/dbraw/zinc/31/26/02/368312602.db2.gz KJMBKDZIGGPIFI-UHFFFAOYSA-N 0 0 228.273 2.185 20 5 BEBDRN COCCCN(C)c1ccccc1[N+](=O)[O-] ZINC000066372231 368645984 /nfs/dbraw/zinc/64/59/84/368645984.db2.gz OBULOCJPLIJJAR-UHFFFAOYSA-N 0 0 224.260 2.068 20 5 BEBDRN COC(=O)c1cc([N+](=O)[O-])ccc1OC(C)C ZINC000114469803 368941050 /nfs/dbraw/zinc/94/10/50/368941050.db2.gz QWDADDKGBBZBAC-UHFFFAOYSA-N 0 0 239.227 2.169 20 5 BEBDRN CC[C@@H]1C[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000387740539 369216924 /nfs/dbraw/zinc/21/69/24/369216924.db2.gz VVGOBXDGJPFDNU-BDAKNGLRSA-N 0 0 221.260 2.448 20 5 BEBDRN CC[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000387790583 369351753 /nfs/dbraw/zinc/35/17/53/369351753.db2.gz GBGUGKIKNGJYDL-ZJUUUORDSA-N 0 0 235.287 2.178 20 5 BEBDRN CC[C@@H]1C[C@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000387841879 369370938 /nfs/dbraw/zinc/37/09/38/369370938.db2.gz QHDHDGFGZOMHRH-ZJUUUORDSA-N 0 0 235.287 2.178 20 5 BEBDRN C[C@@H](CO)Sc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153870955 369972671 /nfs/dbraw/zinc/97/26/71/369972671.db2.gz SDVVHLABZCMNIP-YFKPBYRVSA-N 0 0 248.691 2.116 20 5 BEBDRN C[C@@H](CO)Sc1sccc1[N+](=O)[O-] ZINC000308281880 370120319 /nfs/dbraw/zinc/12/03/19/370120319.db2.gz XITPSJJQNBLZCM-YFKPBYRVSA-N 0 0 219.287 2.129 20 5 BEBDRN CCC(C)(C)CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000310536998 370351944 /nfs/dbraw/zinc/35/19/44/370351944.db2.gz RLTUGZNPYVUCDK-UHFFFAOYSA-N 0 0 238.291 2.420 20 5 BEBDRN CC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000123415059 371069985 /nfs/dbraw/zinc/06/99/85/371069985.db2.gz KUOXFZVKABVZET-MRVPVSSYSA-N 0 0 244.678 2.431 20 5 BEBDRN Cc1cc(OC[C@@H](C)CO)c(F)cc1[N+](=O)[O-] ZINC000123651736 371091933 /nfs/dbraw/zinc/09/19/33/371091933.db2.gz RFPZEWIRCKOVCX-ZETCQYMHSA-N 0 0 243.234 2.050 20 5 BEBDRN O=C(NC1CC=CC1)c1ccc([N+](=O)[O-])s1 ZINC000154468638 371120931 /nfs/dbraw/zinc/12/09/31/371120931.db2.gz URTDZSGZZWQDFW-UHFFFAOYSA-N 0 0 238.268 2.105 20 5 BEBDRN C[C@@H](CO)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000154729588 371152570 /nfs/dbraw/zinc/15/25/70/371152570.db2.gz HJPCILHBHAERIG-ZETCQYMHSA-N 0 0 245.662 2.255 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC(C)(C)CO)c1 ZINC000124270660 371179170 /nfs/dbraw/zinc/17/91/70/371179170.db2.gz GCHQDKACQLWTQY-UHFFFAOYSA-N 0 0 238.287 2.334 20 5 BEBDRN CCc1ccc(OC[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000155208528 371204018 /nfs/dbraw/zinc/20/40/18/371204018.db2.gz ZTZIFYOAHVOXNI-VIFPVBQESA-N 0 0 239.271 2.164 20 5 BEBDRN CC(C)N(C(=O)c1ccc([N+](=O)[O-])o1)C(C)C ZINC000020448806 371282712 /nfs/dbraw/zinc/28/27/12/371282712.db2.gz AFQKLZRQILRFMM-UHFFFAOYSA-N 0 0 240.259 2.447 20 5 BEBDRN CCN(C)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000334394208 371510388 /nfs/dbraw/zinc/51/03/88/371510388.db2.gz BKKRISABIFXXQZ-UHFFFAOYSA-N 0 0 247.254 2.168 20 5 BEBDRN CC(=O)Nc1cc(C)nc2ccc([N+](=O)[O-])cc21 ZINC000161774298 371561973 /nfs/dbraw/zinc/56/19/73/371561973.db2.gz NBWLBLWAEYQYBS-UHFFFAOYSA-N 0 0 245.238 2.410 20 5 BEBDRN CCCCN(CCO)c1ccccc1[N+](=O)[O-] ZINC000042493166 168816267 /nfs/dbraw/zinc/81/62/67/168816267.db2.gz HKRQWLFGGWIQLE-UHFFFAOYSA-N 0 0 238.287 2.194 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC=CC1 ZINC000162397087 371671635 /nfs/dbraw/zinc/67/16/35/371671635.db2.gz KRTSRCYBBOPEQJ-UHFFFAOYSA-N 0 0 247.254 2.435 20 5 BEBDRN C/C=C\CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000600493888 371674742 /nfs/dbraw/zinc/67/47/42/371674742.db2.gz QBOJGKCZAXNYSR-ARJAWSKDSA-N 0 0 234.255 2.209 20 5 BEBDRN Cc1nn(C[C@H]2C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000600510918 371678000 /nfs/dbraw/zinc/67/80/00/371678000.db2.gz XXCSNVDWDNCZCB-IMTBSYHQSA-N 0 0 209.249 2.064 20 5 BEBDRN CC1(CNc2cccc([N+](=O)[O-])c2)COC1 ZINC000226485717 371678455 /nfs/dbraw/zinc/67/84/55/371678455.db2.gz YZSPLVUMUVPBRL-UHFFFAOYSA-N 0 0 222.244 2.043 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CSC(C)C ZINC000600521271 371679515 /nfs/dbraw/zinc/67/95/15/371679515.db2.gz OHSKSFLWQHBMBD-UHFFFAOYSA-N 0 0 215.278 2.199 20 5 BEBDRN C[C@@H]1C[C@@H]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000600527370 371679626 /nfs/dbraw/zinc/67/96/26/371679626.db2.gz OIYUWTGCJIRWAO-HTQZYQBOSA-N 0 0 248.238 2.159 20 5 BEBDRN CC1(C)CC(Cn2cccc([N+](=O)[O-])c2=O)C1 ZINC000600522720 371679813 /nfs/dbraw/zinc/67/98/13/371679813.db2.gz IFIXLRYEYPXNSD-UHFFFAOYSA-N 0 0 236.271 2.193 20 5 BEBDRN Cc1cnc(OC[C@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000600538292 371681779 /nfs/dbraw/zinc/68/17/79/371681779.db2.gz UPQCSUSYAZSRRG-RKDXNWHRSA-N 0 0 222.244 2.333 20 5 BEBDRN CN(C)C(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600986577 371717978 /nfs/dbraw/zinc/71/79/78/371717978.db2.gz IPZCLEGCMKMKBO-UHFFFAOYSA-N 0 0 248.282 2.105 20 5 BEBDRN C[C@@H]1OCC[C@H]1COc1ccc([N+](=O)[O-])cc1 ZINC000601071089 371725794 /nfs/dbraw/zinc/72/57/94/371725794.db2.gz UFJYQIJAKZZDDD-UWVGGRQHSA-N 0 0 237.255 2.399 20 5 BEBDRN Cc1nn(C2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000601082623 371725922 /nfs/dbraw/zinc/72/59/22/371725922.db2.gz LDCKBNDJHMTDMK-UHFFFAOYSA-N 0 0 209.249 2.461 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N(C)CCF)n1 ZINC000601168743 371731941 /nfs/dbraw/zinc/73/19/41/371731941.db2.gz BJFZJGFBIOLJEG-UHFFFAOYSA-N 0 0 227.239 2.012 20 5 BEBDRN CC1=CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601159501 371732424 /nfs/dbraw/zinc/73/24/24/371732424.db2.gz IQYLHYVSUXZBAC-UHFFFAOYSA-N 0 0 237.234 2.285 20 5 BEBDRN CN(CCF)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000601170107 371732652 /nfs/dbraw/zinc/73/26/52/371732652.db2.gz VTFBAFDSFOJDEX-UHFFFAOYSA-N 0 0 233.630 2.049 20 5 BEBDRN C[C@@H]1C[C@H]1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000600530195 371684082 /nfs/dbraw/zinc/68/40/82/371684082.db2.gz OIHOSLJRMGXVDI-RQJHMYQMSA-N 0 0 242.662 2.066 20 5 BEBDRN Cc1noc(Cn2ccnc2C2CC2)c1[N+](=O)[O-] ZINC000600611274 371688553 /nfs/dbraw/zinc/68/85/53/371688553.db2.gz OZHDCZNUPUNPTF-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN CCc1cc(=O)n(-c2cc([N+](=O)[O-])ccc2C)[nH]1 ZINC000601935589 371776761 /nfs/dbraw/zinc/77/67/61/371776761.db2.gz KXHKEKUGGFNQFV-UHFFFAOYSA-N 0 0 247.254 2.406 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1N1N=C(C)CCC1=O ZINC000601934715 371777006 /nfs/dbraw/zinc/77/70/06/371777006.db2.gz DDUWYBOYVJTKKV-UHFFFAOYSA-N 0 0 247.254 2.406 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[C@@H](C)O ZINC000132467796 371830883 /nfs/dbraw/zinc/83/08/83/371830883.db2.gz QQKDETMGISFZNJ-VHSXEESVSA-N 0 0 238.287 2.475 20 5 BEBDRN CC1(C)C[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000352307171 371827005 /nfs/dbraw/zinc/82/70/05/371827005.db2.gz YYWUHMDPIRICSL-SNVBAGLBSA-N 0 0 248.282 2.371 20 5 BEBDRN Cc1nn(CCC2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000603324542 371884103 /nfs/dbraw/zinc/88/41/03/371884103.db2.gz HFLGGYBZXCWBBL-UHFFFAOYSA-N 0 0 246.270 2.448 20 5 BEBDRN CCOc1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000603426841 371894113 /nfs/dbraw/zinc/89/41/13/371894113.db2.gz PSHUMQBEBJDGQU-UHFFFAOYSA-N 0 0 247.254 2.238 20 5 BEBDRN O=C(/C=C/C1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000253464619 181833811 /nfs/dbraw/zinc/83/38/11/181833811.db2.gz RXDPKCPXJCGYSE-VOTSOKGWSA-N 0 0 232.239 2.500 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(Oc2cnccn2)c1 ZINC000603595195 371911601 /nfs/dbraw/zinc/91/16/01/371911601.db2.gz NAJCQEUEPHUXRS-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN C[C@@H]1C[C@@H](C)CN(c2cccnc2[N+](=O)[O-])C1 ZINC000603836965 371933051 /nfs/dbraw/zinc/93/30/51/371933051.db2.gz FYYRIJBCJTYBGV-NXEZZACHSA-N 0 0 235.287 2.472 20 5 BEBDRN Cc1ccc(C(=O)N2CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000604397677 371973989 /nfs/dbraw/zinc/97/39/89/371973989.db2.gz ATMXNBDISFHHDR-VIFPVBQESA-N 0 0 234.255 2.138 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000604488629 371981478 /nfs/dbraw/zinc/98/14/78/371981478.db2.gz ZAXSXUPUZZBUSU-HTRCEHHLSA-N 0 0 238.218 2.328 20 5 BEBDRN O=C(C1CCC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078149415 181867936 /nfs/dbraw/zinc/86/79/36/181867936.db2.gz ZHYYLDONWQJNKG-UHFFFAOYSA-N 0 0 246.266 2.284 20 5 BEBDRN COc1ccc(Nc2ncc([N+](=O)[O-])cn2)cc1 ZINC000139966089 372310281 /nfs/dbraw/zinc/31/02/81/372310281.db2.gz IEORGHBHEXGUFY-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN C[C@H]1CCCCN1c1ncccc1[N+](=O)[O-] ZINC000068045575 372913321 /nfs/dbraw/zinc/91/33/21/372913321.db2.gz NOLNMULQVNGMPB-VIFPVBQESA-N 0 0 221.260 2.369 20 5 BEBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCCC1CC1 ZINC000174662910 182046178 /nfs/dbraw/zinc/04/61/78/182046178.db2.gz VIUBRSOONPIPQS-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN O=C(Cc1ccoc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000120424365 182056685 /nfs/dbraw/zinc/05/66/85/182056685.db2.gz ZHGBMEPXGXRWLN-UHFFFAOYSA-N 0 0 246.222 2.369 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2nccs2)nc1 ZINC000040437334 373262092 /nfs/dbraw/zinc/26/20/92/373262092.db2.gz RBAXAPRQPLSFCM-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN O=C(NC1CCC1)c1ccc([N+](=O)[O-])cc1F ZINC000264507256 182106253 /nfs/dbraw/zinc/10/62/53/182106253.db2.gz JNMLEOAFBLBWJM-UHFFFAOYSA-N 0 0 238.218 2.016 20 5 BEBDRN O=C(NC[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299300514 182235468 /nfs/dbraw/zinc/23/54/68/182235468.db2.gz YKWSQLLEGKVZOW-VIFPVBQESA-N 0 0 249.270 2.009 20 5 BEBDRN Cc1cc(N2CC(F)(F)C2)ccc1[N+](=O)[O-] ZINC001643323950 1172454678 /nfs/dbraw/zinc/45/46/78/1172454678.db2.gz QQHISJDGBNAMDF-UHFFFAOYSA-N 0 0 228.198 2.359 20 5 BEBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1ccoc1 ZINC000046149578 182258422 /nfs/dbraw/zinc/25/84/22/182258422.db2.gz VOCUZKYGRYMFHI-UHFFFAOYSA-N 0 0 246.222 2.118 20 5 BEBDRN C[C@H](Cn1cccn1)Nc1ccccc1[N+](=O)[O-] ZINC000042106039 374248585 /nfs/dbraw/zinc/24/85/85/374248585.db2.gz OUNYHMUBJBXMCZ-SNVBAGLBSA-N 0 0 246.270 2.292 20 5 BEBDRN O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)C1CC1 ZINC000058574276 182349773 /nfs/dbraw/zinc/34/97/73/182349773.db2.gz TXICAYMMQSDDLP-UHFFFAOYSA-N 0 0 242.181 2.222 20 5 BEBDRN O=C(Nc1cccnc1)c1csc([N+](=O)[O-])c1 ZINC000044410001 182385136 /nfs/dbraw/zinc/38/51/36/182385136.db2.gz BXQPRECZMQDXBS-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN CCCCNc1nc(Cl)ncc1[N+](=O)[O-] ZINC000004243365 168880046 /nfs/dbraw/zinc/88/00/46/168880046.db2.gz VYIGIGYPIKKRBS-UHFFFAOYSA-N 0 0 230.655 2.250 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCCO2)c2ccncc21 ZINC000273356909 182933691 /nfs/dbraw/zinc/93/36/91/182933691.db2.gz CUJXVQDSZXKYSJ-UHFFFAOYSA-N 0 0 245.238 2.285 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCSC2)nc1 ZINC000228580484 182935680 /nfs/dbraw/zinc/93/56/80/182935680.db2.gz CMTITAGFVUHNTE-MRVPVSSYSA-N 0 0 239.300 2.155 20 5 BEBDRN O=[N+]([O-])c1ccccc1OC[C@@H]1CCCO1 ZINC000038917820 182952553 /nfs/dbraw/zinc/95/25/53/182952553.db2.gz ZKQZHEDQQZXXNR-VIFPVBQESA-N 0 0 223.228 2.153 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC1CC=CC1 ZINC000131109760 182953947 /nfs/dbraw/zinc/95/39/47/182953947.db2.gz RFYVNEJMLVYMMJ-UHFFFAOYSA-N 0 0 205.217 2.120 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]2F)nc1 ZINC000338825713 182937150 /nfs/dbraw/zinc/93/71/50/182937150.db2.gz XSLAVQJEGQIROQ-DTWKUNHWSA-N 0 0 225.223 2.292 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2CC2)c(Cl)n1 ZINC000095735619 182939907 /nfs/dbraw/zinc/93/99/07/182939907.db2.gz WBANXQQYOLFRAM-UHFFFAOYSA-N 0 0 214.608 2.184 20 5 BEBDRN O=[N+]([O-])c1cnccc1SC1CCOCC1 ZINC000361047669 182960414 /nfs/dbraw/zinc/96/04/14/182960414.db2.gz ZZOVEWDEPXAXDD-UHFFFAOYSA-N 0 0 240.284 2.261 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2CCCCC2)nc1 ZINC000040454304 182958012 /nfs/dbraw/zinc/95/80/12/182958012.db2.gz ZHYNJTIEZDMZJV-UHFFFAOYSA-N 0 0 222.248 2.129 20 5 BEBDRN CCCCn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000042678471 169037353 /nfs/dbraw/zinc/03/73/53/169037353.db2.gz VEFRMAOBOKVVEA-UHFFFAOYSA-N 0 0 247.254 2.105 20 5 BEBDRN CCCN(C)c1nccc(C)c1[N+](=O)[O-] ZINC000265149995 169089414 /nfs/dbraw/zinc/08/94/14/169089414.db2.gz BCPURWCYIDCMDW-UHFFFAOYSA-N 0 0 209.249 2.144 20 5 BEBDRN CCCN(C)c1nc(C)ccc1[N+](=O)[O-] ZINC000123471824 169089759 /nfs/dbraw/zinc/08/97/59/169089759.db2.gz RMEIPINXOAHNBJ-UHFFFAOYSA-N 0 0 209.249 2.144 20 5 BEBDRN CCCN(CCO)c1cc(C)ccc1[N+](=O)[O-] ZINC000084726762 169168303 /nfs/dbraw/zinc/16/83/03/169168303.db2.gz GIWRCKJKRYPVCA-UHFFFAOYSA-N 0 0 238.287 2.112 20 5 BEBDRN CCCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352710868 169204845 /nfs/dbraw/zinc/20/48/45/169204845.db2.gz UITLZJRVMSXVIE-UHFFFAOYSA-N 0 0 236.271 2.199 20 5 BEBDRN CCCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000070379576 169250020 /nfs/dbraw/zinc/25/00/20/169250020.db2.gz LXKCPJDCSHMUAQ-UHFFFAOYSA-N 0 0 242.662 2.388 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H]2F)cn1 ZINC000338837552 383833403 /nfs/dbraw/zinc/83/34/03/383833403.db2.gz WCZDYTDHBPXXEW-IUCAKERBSA-N 0 0 225.223 2.292 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@@H]2F)s1 ZINC000338838907 383833783 /nfs/dbraw/zinc/83/37/83/383833783.db2.gz AXSRRIZAVQQGJU-NTSWFWBYSA-N 0 0 231.252 2.354 20 5 BEBDRN CC1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000334820284 383960429 /nfs/dbraw/zinc/96/04/29/383960429.db2.gz WRYXCRABQOLMJM-UHFFFAOYSA-N 0 0 212.274 2.108 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CCC(F)(F)C1 ZINC000334340126 384031470 /nfs/dbraw/zinc/03/14/70/384031470.db2.gz CAWUHUJAPAIUQM-UHFFFAOYSA-N 0 0 228.198 2.440 20 5 BEBDRN COc1ccc(CCn2nccc2[N+](=O)[O-])cc1 ZINC000127995589 384075539 /nfs/dbraw/zinc/07/55/39/384075539.db2.gz MVNGGVBYDZENCU-UHFFFAOYSA-N 0 0 247.254 2.043 20 5 BEBDRN O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000060506916 384147683 /nfs/dbraw/zinc/14/76/83/384147683.db2.gz WXFMSGJNRIVREY-UHFFFAOYSA-N 0 0 235.239 2.438 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NCc1ccon1 ZINC000135583935 384185458 /nfs/dbraw/zinc/18/54/58/384185458.db2.gz FSIFTRCQIZVGMZ-UHFFFAOYSA-N 0 0 237.190 2.334 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC=CCC1 ZINC000611513443 384177080 /nfs/dbraw/zinc/17/70/80/384177080.db2.gz BPLCQSOPCDRDAP-UHFFFAOYSA-N 0 0 246.266 2.305 20 5 BEBDRN C[C@H](O)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000050351912 384195438 /nfs/dbraw/zinc/19/54/38/384195438.db2.gz WOPMVWYTVXXXHC-LURJTMIESA-N 0 0 230.651 2.041 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CC2)c1 ZINC000336591743 384237537 /nfs/dbraw/zinc/23/75/37/384237537.db2.gz LTQQDZLDEXNVFD-UHFFFAOYSA-N 0 0 234.255 2.138 20 5 BEBDRN C[C@@H](Nc1sccc1[N+](=O)[O-])[C@H](C)CO ZINC000302045528 384226033 /nfs/dbraw/zinc/22/60/33/384226033.db2.gz XZAVIXDNOZDQNN-RNFRBKRXSA-N 0 0 230.289 2.085 20 5 BEBDRN Cc1c(Nc2ccccc2[N+](=O)[O-])cnn1C ZINC000362559362 384262456 /nfs/dbraw/zinc/26/24/56/384262456.db2.gz BPZSTOJHKKPLRX-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN O=[N+]([O-])c1ccn(-c2nc3c(cccc3F)o2)n1 ZINC000362573398 384271169 /nfs/dbraw/zinc/27/11/69/384271169.db2.gz RXFAIOXMYINUBI-UHFFFAOYSA-N 0 0 248.173 2.061 20 5 BEBDRN C[C@@H](CF)NCc1csc([N+](=O)[O-])c1 ZINC000308512442 384322881 /nfs/dbraw/zinc/32/28/81/384322881.db2.gz KTXJVYXOSQCWBA-LURJTMIESA-N 0 0 218.253 2.104 20 5 BEBDRN C[C@H](CCO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000133373745 384287974 /nfs/dbraw/zinc/28/79/74/384287974.db2.gz AOVVKKDRQQCJKQ-SSDOTTSWSA-N 0 0 244.678 2.431 20 5 BEBDRN Cc1ccc2oc(-n3ccc([N+](=O)[O-])n3)nc2c1 ZINC000358872010 384344067 /nfs/dbraw/zinc/34/40/67/384344067.db2.gz GKKLCBFVMBVPBD-UHFFFAOYSA-N 0 0 244.210 2.230 20 5 BEBDRN C[C@H]1C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000335770720 384374559 /nfs/dbraw/zinc/37/45/59/384374559.db2.gz NFUUVLOOEAUATD-IUCAKERBSA-N 0 0 234.255 2.218 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@@H]2CCOC2)cc1 ZINC000330363829 384366929 /nfs/dbraw/zinc/36/69/29/384366929.db2.gz VDEFEMHIAFQGIM-SECBINFHSA-N 0 0 223.228 2.010 20 5 BEBDRN C[C@@H]1C[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000075527983 384328934 /nfs/dbraw/zinc/32/89/34/384328934.db2.gz DMLLGPLCCCYNQW-CJDYZKGVSA-N 0 0 246.266 2.133 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(NCc2ncccn2)c1 ZINC000359619135 384409519 /nfs/dbraw/zinc/40/95/19/384409519.db2.gz IZRSDEYVNUUQEU-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN CO[C@@H](C)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000359774289 384429245 /nfs/dbraw/zinc/42/92/45/384429245.db2.gz USXYIZDXTZKQCB-ZETCQYMHSA-N 0 0 229.207 2.148 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2(C(F)F)CC2)nc1 ZINC000359819029 384441898 /nfs/dbraw/zinc/44/18/98/384441898.db2.gz PLDFGZDOAYZNOA-UHFFFAOYSA-N 0 0 243.213 2.447 20 5 BEBDRN C[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000611227965 384461776 /nfs/dbraw/zinc/46/17/76/384461776.db2.gz KETBZMGCLJQKSY-NXEZZACHSA-N 0 0 235.287 2.472 20 5 BEBDRN CCOc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000061570096 384503659 /nfs/dbraw/zinc/50/36/59/384503659.db2.gz FGVHRKSPLQMJDL-UHFFFAOYSA-N 0 0 209.201 2.196 20 5 BEBDRN O=c1c(Cl)cc([N+](=O)[O-])cn1CCC1CC1 ZINC000340672695 384528253 /nfs/dbraw/zinc/52/82/53/384528253.db2.gz DCPAWHKQDYLMLF-UHFFFAOYSA-N 0 0 242.662 2.210 20 5 BEBDRN CC[C@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000340696190 384541852 /nfs/dbraw/zinc/54/18/52/384541852.db2.gz JDRVJOWNYWGTLE-VIFPVBQESA-N 0 0 221.260 2.369 20 5 BEBDRN CC(C)(O)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000083466540 384579515 /nfs/dbraw/zinc/57/95/15/384579515.db2.gz NAJQGZIKDHAPHD-UHFFFAOYSA-N 0 0 244.678 2.431 20 5 BEBDRN Cc1ccc(NCC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000082997713 384619440 /nfs/dbraw/zinc/61/94/40/384619440.db2.gz SELSCLRDBHHVSS-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN CO[C@@H](C)COc1cccc([N+](=O)[O-])c1 ZINC000180897778 384829838 /nfs/dbraw/zinc/82/98/38/384829838.db2.gz HFUMGBAMFDRDBY-QMMMGPOBSA-N 0 0 211.217 2.009 20 5 BEBDRN Cc1cnc(NCCCCF)c([N+](=O)[O-])c1 ZINC000309292688 384801170 /nfs/dbraw/zinc/80/11/70/384801170.db2.gz WDLWDROYUSZLNH-UHFFFAOYSA-N 0 0 227.239 2.460 20 5 BEBDRN Cc1c(Oc2cccnn2)cccc1[N+](=O)[O-] ZINC000561126517 384808178 /nfs/dbraw/zinc/80/81/78/384808178.db2.gz BKXOQHUWXZBYIO-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C ZINC000179377936 384874906 /nfs/dbraw/zinc/87/49/06/384874906.db2.gz ZYGRZGBQVJMAJV-UHFFFAOYSA-N 0 0 236.271 2.222 20 5 BEBDRN O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000033316437 384838760 /nfs/dbraw/zinc/83/87/60/384838760.db2.gz SOLNJTJBMYNOHD-FPLPWBNLSA-N 0 0 246.266 2.230 20 5 BEBDRN CC[C@H](CO)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000084726246 384866218 /nfs/dbraw/zinc/86/62/18/384866218.db2.gz RGRDEJFDQBCTIB-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cccc(N2CCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188355178 384934062 /nfs/dbraw/zinc/93/40/62/384934062.db2.gz VUKDJKMSJZBPGI-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1nn(C)c(NC[C@H](C)C(C)C)c1[N+](=O)[O-] ZINC000081070174 385022306 /nfs/dbraw/zinc/02/23/06/385022306.db2.gz GFZAAKXRTRTACC-QMMMGPOBSA-N 0 0 240.307 2.341 20 5 BEBDRN C[C@@H](CO)CSc1ccc(F)cc1[N+](=O)[O-] ZINC000085016421 385015262 /nfs/dbraw/zinc/01/52/62/385015262.db2.gz YXNDQZKBSFGGPN-ZETCQYMHSA-N 0 0 245.275 2.454 20 5 BEBDRN COC[C@@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000037401049 385049446 /nfs/dbraw/zinc/04/94/46/385049446.db2.gz RGAQSPRVTXRDJP-SECBINFHSA-N 0 0 224.260 2.350 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2(O)CCCC2)cc1 ZINC000108644469 385054097 /nfs/dbraw/zinc/05/40/97/385054097.db2.gz XUZRIOUBNFQPBG-UHFFFAOYSA-N 0 0 236.271 2.312 20 5 BEBDRN CONC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188977468 385055300 /nfs/dbraw/zinc/05/53/00/385055300.db2.gz WBHJSPWDYTVEMK-UHFFFAOYSA-N 0 0 238.243 2.009 20 5 BEBDRN CCc1cccc(Cn2cnc([N+](=O)[O-])c2)c1 ZINC000188917169 385042602 /nfs/dbraw/zinc/04/26/02/385042602.db2.gz OZPGZWZQQLGTGT-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN O=[N+]([O-])c1ccnn1Cc1ccc(F)c(F)c1 ZINC000119728775 385170766 /nfs/dbraw/zinc/17/07/66/385170766.db2.gz OBRWXGPMHHKSGT-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN Cc1nc(C)c(CNc2ccncc2[N+](=O)[O-])o1 ZINC000311752365 385173098 /nfs/dbraw/zinc/17/30/98/385173098.db2.gz DHLJQSVXSDKCAD-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1ccc(N[C@@H]2C=C[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000338285672 385228881 /nfs/dbraw/zinc/22/88/81/385228881.db2.gz UXTZWZUAWJELQA-GHMZBOCLSA-N 0 0 248.282 2.252 20 5 BEBDRN C[C@@H](CF)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000288133758 385271588 /nfs/dbraw/zinc/27/15/88/385271588.db2.gz FCGWAUDIHPFRNL-YFKPBYRVSA-N 0 0 233.630 2.413 20 5 BEBDRN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NC1CCC1 ZINC000491278726 385299117 /nfs/dbraw/zinc/29/91/17/385299117.db2.gz MNRXXHFCPPBCMX-FPLPWBNLSA-N 0 0 246.266 2.277 20 5 BEBDRN CC/C=C\CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000452611802 385346087 /nfs/dbraw/zinc/34/60/87/385346087.db2.gz IXUXHWPFNZGVOA-ARJAWSKDSA-N 0 0 234.255 2.291 20 5 BEBDRN CC/C=C\CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000452613433 385347798 /nfs/dbraw/zinc/34/77/98/385347798.db2.gz NMOOJWGGYLXFNA-UTCJRWHESA-N 0 0 248.282 2.220 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@H]2C)c1 ZINC000149985506 385535129 /nfs/dbraw/zinc/53/51/29/385535129.db2.gz WTIAKXUAWRKXTG-VHSXEESVSA-N 0 0 236.271 2.493 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCSC2)c1 ZINC000282228096 385525668 /nfs/dbraw/zinc/52/56/68/385525668.db2.gz OULCRLMHSSDGPM-MRVPVSSYSA-N 0 0 239.300 2.094 20 5 BEBDRN CO[C@@H](C)[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000290803225 385574863 /nfs/dbraw/zinc/57/48/63/385574863.db2.gz YULHJLXWZQIUON-BDAKNGLRSA-N 0 0 239.275 2.134 20 5 BEBDRN CC[C@@H](COC)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000443 385598239 /nfs/dbraw/zinc/59/82/39/385598239.db2.gz RFLQMQZMWUYJBV-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1cc(N[C@H]2CO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000401948152 385588098 /nfs/dbraw/zinc/58/80/98/385588098.db2.gz SJCIDQZJDJRDLO-MWLCHTKSSA-N 0 0 236.271 2.493 20 5 BEBDRN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)CS1 ZINC000397826935 385718787 /nfs/dbraw/zinc/71/87/87/385718787.db2.gz BIBGIJLTRPKKSU-APPZFPTMSA-N 0 0 239.300 2.296 20 5 BEBDRN CO[C@H](CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000292664791 385711492 /nfs/dbraw/zinc/71/14/92/385711492.db2.gz CSVQYCKNWGLYBH-GFCCVEGCSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)CS1 ZINC000397831761 385716111 /nfs/dbraw/zinc/71/61/11/385716111.db2.gz CZJOAXPBSIQBCQ-SFYZADRCSA-N 0 0 239.300 2.296 20 5 BEBDRN CC(C)[C@@H](CO)CNc1ccccc1[N+](=O)[O-] ZINC000343807909 385728864 /nfs/dbraw/zinc/72/88/64/385728864.db2.gz PDYQKSFVPOAXFD-SNVBAGLBSA-N 0 0 238.287 2.271 20 5 BEBDRN C[C@H](O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000227998801 385804436 /nfs/dbraw/zinc/80/44/36/385804436.db2.gz HOKXQQACWVCMLI-VIFPVBQESA-N 0 0 224.260 2.168 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2CC2)c1 ZINC000266023478 385816248 /nfs/dbraw/zinc/81/62/48/385816248.db2.gz SBVLQNOKNZBLIJ-VIFPVBQESA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCC2(O)CCC2)cc1 ZINC000396746066 385830151 /nfs/dbraw/zinc/83/01/51/385830151.db2.gz AHTVKGYCSDZBFE-UHFFFAOYSA-N 0 0 237.255 2.279 20 5 BEBDRN CCC[C@H](CNc1ncc([N+](=O)[O-])s1)OC ZINC000293617635 385834214 /nfs/dbraw/zinc/83/42/14/385834214.db2.gz IAYFESRBSUXOIL-SSDOTTSWSA-N 0 0 245.304 2.278 20 5 BEBDRN Cc1nonc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000265006849 385839566 /nfs/dbraw/zinc/83/95/66/385839566.db2.gz NMUMSBNTIFBTHL-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN Cc1c(NCc2nccn2C)cccc1[N+](=O)[O-] ZINC000051922502 385840728 /nfs/dbraw/zinc/84/07/28/385840728.db2.gz OGQQZBLUTLZWIN-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NCc1nccn1C ZINC000051922478 385841486 /nfs/dbraw/zinc/84/14/86/385841486.db2.gz OPOQANTYBKGDIA-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCCc2cn[nH]c2)c1 ZINC000291217662 385848567 /nfs/dbraw/zinc/84/85/67/385848567.db2.gz VSWVIRFYLFVFGN-UHFFFAOYSA-N 0 0 246.270 2.281 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@@H]2CCSC2)s1 ZINC000228582018 385890932 /nfs/dbraw/zinc/89/09/32/385890932.db2.gz ZTFCDKGLFJVIPH-LURJTMIESA-N 0 0 245.329 2.216 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCCCCC2)s1 ZINC000190299403 385908854 /nfs/dbraw/zinc/90/88/54/385908854.db2.gz PGDAZECFUZIOLI-UHFFFAOYSA-N 0 0 227.289 2.432 20 5 BEBDRN Cc1cc(NC(=O)[C@@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000182408306 385867023 /nfs/dbraw/zinc/86/70/23/385867023.db2.gz CYJCWBFLFOZVBW-OIBJUYFYSA-N 0 0 234.255 2.498 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(Oc2cccnc2)n1 ZINC000120393248 385933400 /nfs/dbraw/zinc/93/34/00/385933400.db2.gz PXANBKBBULBXGJ-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN CCN(C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087083160 385939926 /nfs/dbraw/zinc/93/99/26/385939926.db2.gz WMVWRGLTXFMLGN-UHFFFAOYSA-N 0 0 236.271 2.006 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC(F)F)cc1 ZINC000075060248 386071079 /nfs/dbraw/zinc/07/10/79/386071079.db2.gz QUGQIKPRQVNNCH-UHFFFAOYSA-N 0 0 202.160 2.272 20 5 BEBDRN CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000296181632 386146459 /nfs/dbraw/zinc/14/64/59/386146459.db2.gz AZDWZKQPSMCVAP-UHFFFAOYSA-N 0 0 232.243 2.070 20 5 BEBDRN CC[C@H]1CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000293994759 386238603 /nfs/dbraw/zinc/23/86/03/386238603.db2.gz LSZASPYQVMDCMK-NSHDSACASA-N 0 0 248.282 2.148 20 5 BEBDRN O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC1CC1 ZINC000490668921 386242291 /nfs/dbraw/zinc/24/22/91/386242291.db2.gz WATDQUCQOGUMCP-SREVYHEPSA-N 0 0 246.266 2.134 20 5 BEBDRN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000025772152 386448983 /nfs/dbraw/zinc/44/89/83/386448983.db2.gz KRPPWQRFPQNNTJ-QMMMGPOBSA-N 0 0 234.255 2.123 20 5 BEBDRN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000025772150 386450760 /nfs/dbraw/zinc/45/07/60/386450760.db2.gz KRPPWQRFPQNNTJ-MRVPVSSYSA-N 0 0 234.255 2.123 20 5 BEBDRN CC[C@H](CO)N(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000294112025 386387873 /nfs/dbraw/zinc/38/78/73/386387873.db2.gz NFKIIFPKCHQNCH-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1ccc(N2CC3(C2)CCOC3)c([N+](=O)[O-])c1 ZINC000294169702 386452378 /nfs/dbraw/zinc/45/23/78/386452378.db2.gz RWLLOHCYDNYDQD-UHFFFAOYSA-N 0 0 248.282 2.130 20 5 BEBDRN Cc1cc(S[C@@H]2CCOC2)ncc1[N+](=O)[O-] ZINC000617000653 386530586 /nfs/dbraw/zinc/53/05/86/386530586.db2.gz AGRWKPWUVJFNDB-MRVPVSSYSA-N 0 0 240.284 2.179 20 5 BEBDRN CCc1ccc(C(=O)NC2CCC2)cc1[N+](=O)[O-] ZINC000266871910 386511350 /nfs/dbraw/zinc/51/13/50/386511350.db2.gz ABFAYLWFJSEZLY-UHFFFAOYSA-N 0 0 248.282 2.440 20 5 BEBDRN CCCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229552083 386549948 /nfs/dbraw/zinc/54/99/48/386549948.db2.gz LAIDQGYETBSSBM-UHFFFAOYSA-N 0 0 241.222 2.265 20 5 BEBDRN CN(c1ncc([N+](=O)[O-])s1)C1CCC1 ZINC000190331288 386654065 /nfs/dbraw/zinc/65/40/65/386654065.db2.gz IIUKTVRKUQVKOC-UHFFFAOYSA-N 0 0 213.262 2.040 20 5 BEBDRN CC[C@@H](C)CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000268092870 386842601 /nfs/dbraw/zinc/84/26/01/386842601.db2.gz LMBJKYRPKOYUOU-ZCFIWIBFSA-N 0 0 242.304 2.105 20 5 BEBDRN C[C@H](NCc1ccno1)c1cccc([N+](=O)[O-])c1 ZINC000223668279 387062980 /nfs/dbraw/zinc/06/29/80/387062980.db2.gz CLDGVDWDYDENOV-VIFPVBQESA-N 0 0 247.254 2.434 20 5 BEBDRN C[C@H](CO)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000088389675 387023089 /nfs/dbraw/zinc/02/30/89/387023089.db2.gz VHHXJYDZKVDHLO-ZETCQYMHSA-N 0 0 244.678 2.289 20 5 BEBDRN CSC[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000074764555 387024862 /nfs/dbraw/zinc/02/48/62/387024862.db2.gz FMHAWLSNRNHIAZ-QMMMGPOBSA-N 0 0 241.316 2.462 20 5 BEBDRN CO[C@@H](C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000224328963 387124935 /nfs/dbraw/zinc/12/49/35/387124935.db2.gz INMWYPAHMJUOEJ-ZETCQYMHSA-N 0 0 228.223 2.181 20 5 BEBDRN CO[C@H](C)CNc1ccccc1[N+](=O)[O-] ZINC000224327176 387125882 /nfs/dbraw/zinc/12/58/82/387125882.db2.gz AHWPUXOZMIJSKJ-MRVPVSSYSA-N 0 0 210.233 2.042 20 5 BEBDRN C[C@H]1OCC[C@H]1Sc1ncccc1[N+](=O)[O-] ZINC000269886148 387127512 /nfs/dbraw/zinc/12/75/12/387127512.db2.gz BDLNKSRJALCVLP-VXNVDRBHSA-N 0 0 240.284 2.259 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@@H]1CCC[C@@H]1O ZINC000089166887 387183405 /nfs/dbraw/zinc/18/34/05/387183405.db2.gz XPJJQRVCBDLFQS-CABZTGNLSA-N 0 0 236.271 2.168 20 5 BEBDRN C[C@@H](NCc1ccon1)c1ccccc1[N+](=O)[O-] ZINC000093326686 387247689 /nfs/dbraw/zinc/24/76/89/387247689.db2.gz XPWOGNVGONTQMK-SECBINFHSA-N 0 0 247.254 2.434 20 5 BEBDRN Cc1cnc(OCCCF)c([N+](=O)[O-])c1 ZINC000121708647 387272785 /nfs/dbraw/zinc/27/27/85/387272785.db2.gz SBWWRPFBXGGUKX-UHFFFAOYSA-N 0 0 214.196 2.037 20 5 BEBDRN CC[C@@H](F)COc1cccnc1[N+](=O)[O-] ZINC000440570341 387318039 /nfs/dbraw/zinc/31/80/39/387318039.db2.gz RDCQPZFSGSTSKX-SSDOTTSWSA-N 0 0 214.196 2.117 20 5 BEBDRN Cc1ccc(N[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000269940436 387292345 /nfs/dbraw/zinc/29/23/45/387292345.db2.gz OWGWBAVNVNQIMK-ZYHUDNBSSA-N 0 0 236.271 2.229 20 5 BEBDRN Cc1ccc(N[C@@H](C)CCCO)c([N+](=O)[O-])c1 ZINC000088503708 387292861 /nfs/dbraw/zinc/29/28/61/387292861.db2.gz SZWBBUYHUQKNTP-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN CC(C)(CF)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354466716 387337586 /nfs/dbraw/zinc/33/75/86/387337586.db2.gz QEOQFGHTXYHIRC-UHFFFAOYSA-N 0 0 240.234 2.073 20 5 BEBDRN Nc1c([N+](=O)[O-])cnn1CC1CCCCCC1 ZINC000089560821 387351355 /nfs/dbraw/zinc/35/13/55/387351355.db2.gz NYXYEXLXTPMAGS-UHFFFAOYSA-N 0 0 238.291 2.344 20 5 BEBDRN C[C@H](CF)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295674815 387352061 /nfs/dbraw/zinc/35/20/61/387352061.db2.gz KTMKKDWHBUEDBJ-ZCFIWIBFSA-N 0 0 238.222 2.241 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(OC[C@@H]2CCCO2)c1 ZINC000121528864 387432768 /nfs/dbraw/zinc/43/27/68/387432768.db2.gz HLFCVHAMSLLLSX-JTQLQIEISA-N 0 0 241.218 2.292 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC1CC1 ZINC000299292188 387452120 /nfs/dbraw/zinc/45/21/20/387452120.db2.gz KNXVZUYFYDXCBD-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN C[C@H](CCO)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000121736176 387529154 /nfs/dbraw/zinc/52/91/54/387529154.db2.gz XYYRWLACZXVVMK-ZCFIWIBFSA-N 0 0 246.213 2.056 20 5 BEBDRN CN(CC(C)(C)CO)c1ccccc1[N+](=O)[O-] ZINC000296327657 387798047 /nfs/dbraw/zinc/79/80/47/387798047.db2.gz OYWWYIUFUDDEBU-UHFFFAOYSA-N 0 0 238.287 2.050 20 5 BEBDRN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000139077193 387890141 /nfs/dbraw/zinc/89/01/41/387890141.db2.gz GIZCKUPEQSZXSB-SECBINFHSA-N 0 0 246.270 2.169 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C1CC1 ZINC000192926163 388254051 /nfs/dbraw/zinc/25/40/51/388254051.db2.gz SCQNUCJQEURJTI-VIFPVBQESA-N 0 0 248.282 2.432 20 5 BEBDRN C[C@@H](O)CSc1ccc([N+](=O)[O-])cc1F ZINC000193442917 388351440 /nfs/dbraw/zinc/35/14/40/388351440.db2.gz ZEYYGYDRBJEDQM-ZCFIWIBFSA-N 0 0 231.248 2.207 20 5 BEBDRN CN(CCC1CC1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193484116 388357305 /nfs/dbraw/zinc/35/73/05/388357305.db2.gz ZUXSHIXAZPKSSP-UHFFFAOYSA-N 0 0 235.287 2.413 20 5 BEBDRN CN(CCCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000227109527 388358563 /nfs/dbraw/zinc/35/85/63/388358563.db2.gz SIIKRLWTSHBSIN-UHFFFAOYSA-N 0 0 238.287 2.194 20 5 BEBDRN CSCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000132568229 388362626 /nfs/dbraw/zinc/36/26/26/388362626.db2.gz WROPPLMORIMVFF-UHFFFAOYSA-N 0 0 227.289 2.073 20 5 BEBDRN Cc1ccc(NC(=O)N[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000076032860 388370235 /nfs/dbraw/zinc/37/02/35/388370235.db2.gz XLBLUWRQGNXJDU-SCZZXKLOSA-N 0 0 249.270 2.433 20 5 BEBDRN C[C@@H](O)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227890299 388372634 /nfs/dbraw/zinc/37/26/34/388372634.db2.gz CNHBSQXRCCWNTB-ZCFIWIBFSA-N 0 0 246.213 2.056 20 5 BEBDRN CSCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC000353868469 388375058 /nfs/dbraw/zinc/37/50/58/388375058.db2.gz PHQJLDRCUZZTSF-UHFFFAOYSA-N 0 0 246.357 2.451 20 5 BEBDRN Cc1ccc(NCCC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000227994376 388375956 /nfs/dbraw/zinc/37/59/56/388375956.db2.gz IETQOQNIJXFZGF-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CC1 ZINC000229551819 388394295 /nfs/dbraw/zinc/39/42/95/388394295.db2.gz BJFYEOSHBQXWED-UHFFFAOYSA-N 0 0 239.206 2.018 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H](CO)C2CC2)cc1 ZINC000357784067 388394631 /nfs/dbraw/zinc/39/46/31/388394631.db2.gz PTYZGGUKEYUWJP-SNVBAGLBSA-N 0 0 236.271 2.025 20 5 BEBDRN CC[C@](C)(CNc1ccc([N+](=O)[O-])cn1)OC ZINC000322595556 388439937 /nfs/dbraw/zinc/43/99/37/388439937.db2.gz HEXCXSDILGXNND-LLVKDONJSA-N 0 0 239.275 2.217 20 5 BEBDRN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC1 ZINC000175080532 388445553 /nfs/dbraw/zinc/44/55/53/388445553.db2.gz JLPJQMIRABUAFL-UHFFFAOYSA-N 0 0 240.646 2.094 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC2)c(Cl)c1 ZINC000301103328 388459406 /nfs/dbraw/zinc/45/94/06/388459406.db2.gz ZWERYUMKDCZVBO-UHFFFAOYSA-N 0 0 212.636 2.458 20 5 BEBDRN CCOCCN(C)c1cc(C)sc1[N+](=O)[O-] ZINC000596183520 388407696 /nfs/dbraw/zinc/40/76/96/388407696.db2.gz FXGWWDJVKFXTMB-UHFFFAOYSA-N 0 0 244.316 2.437 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1c1c(Cl)cncc1[N+](=O)[O-] ZINC000596247000 388410380 /nfs/dbraw/zinc/41/03/80/388410380.db2.gz HDKOPGWKMYZFDU-NKWVEPMBSA-N 0 0 241.678 2.488 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CCCC2)cn1 ZINC000054614161 388427316 /nfs/dbraw/zinc/42/73/16/388427316.db2.gz AGJDUPROOXJVKV-UHFFFAOYSA-N 0 0 207.233 2.344 20 5 BEBDRN C[C@H](NCc1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000041014864 388430570 /nfs/dbraw/zinc/43/05/70/388430570.db2.gz LHPWASGXTVWEOB-VIFPVBQESA-N 0 0 246.270 2.169 20 5 BEBDRN CN(CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000298689354 388598195 /nfs/dbraw/zinc/59/81/95/388598195.db2.gz BPYCCAJUIVUOQK-UHFFFAOYSA-N 0 0 206.245 2.441 20 5 BEBDRN CCc1cc(CNc2ncccc2[N+](=O)[O-])on1 ZINC000301365979 388579818 /nfs/dbraw/zinc/57/98/18/388579818.db2.gz QWZKJMNSJSWVJI-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN C[C@@H]1C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000298428302 388583226 /nfs/dbraw/zinc/58/32/26/388583226.db2.gz UPUHRWCRLWUALL-RQJHMYQMSA-N 0 0 240.284 2.042 20 5 BEBDRN Cc1ccnc(N[C@@H]2CCSC2)c1[N+](=O)[O-] ZINC000078500832 388681818 /nfs/dbraw/zinc/68/18/18/388681818.db2.gz GQRSIXYUMQIWHK-MRVPVSSYSA-N 0 0 239.300 2.216 20 5 BEBDRN CC(C)(CCO)CNc1ccccc1[N+](=O)[O-] ZINC000078688476 388683851 /nfs/dbraw/zinc/68/38/51/388683851.db2.gz YCSHXSPPUYLCSZ-UHFFFAOYSA-N 0 0 238.287 2.415 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@H]2CC=CCC2)nc1 ZINC000273637854 388622213 /nfs/dbraw/zinc/62/22/13/388622213.db2.gz RMUYQFJLZZDELM-VIFPVBQESA-N 0 0 234.259 2.153 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCC(=O)CC2)c1 ZINC000094659237 388635094 /nfs/dbraw/zinc/63/50/94/388635094.db2.gz AKHWLKILLADCHS-UHFFFAOYSA-N 0 0 234.255 2.073 20 5 BEBDRN Cc1cc(C)c(O[C@H](C)[C@H](C)O)c([N+](=O)[O-])c1 ZINC000094654925 388639432 /nfs/dbraw/zinc/63/94/32/388639432.db2.gz BPXRJBNIYNWTQA-VHSXEESVSA-N 0 0 239.271 2.360 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCCn2ccnc2)c1 ZINC000094659486 388640180 /nfs/dbraw/zinc/64/01/80/388640180.db2.gz TVADXRYPAHBIND-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN Cc1cc(-n2ccc([N+](=O)[O-])n2)nc(C(C)C)n1 ZINC000301672706 388662890 /nfs/dbraw/zinc/66/28/90/388662890.db2.gz ZRNGNGRFLRQEME-UHFFFAOYSA-N 0 0 247.258 2.002 20 5 BEBDRN C[C@@](CO)(Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000301673510 388663192 /nfs/dbraw/zinc/66/31/92/388663192.db2.gz PGICQJHXQQDUGJ-LBPRGKRZSA-N 0 0 236.271 2.168 20 5 BEBDRN CC(C)[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000447066167 388734642 /nfs/dbraw/zinc/73/46/42/388734642.db2.gz DZJQHFJFNFOECA-JTQLQIEISA-N 0 0 235.287 2.472 20 5 BEBDRN O=[N+]([O-])c1cc(CNC(CF)CF)cs1 ZINC000449380392 388748469 /nfs/dbraw/zinc/74/84/69/388748469.db2.gz MSUVAMTZVRJWSA-UHFFFAOYSA-N 0 0 236.243 2.054 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCC1(C)C ZINC000124483095 388748475 /nfs/dbraw/zinc/74/84/75/388748475.db2.gz CJICQICVDOEKME-MRVPVSSYSA-N 0 0 238.291 2.319 20 5 BEBDRN CC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000067018269 388693323 /nfs/dbraw/zinc/69/33/23/388693323.db2.gz SILNQUJCEJREJI-SECBINFHSA-N 0 0 236.271 2.432 20 5 BEBDRN Cc1c(NC(=O)c2cc[nH]c2)cccc1[N+](=O)[O-] ZINC000068228681 388709504 /nfs/dbraw/zinc/70/95/04/388709504.db2.gz ROYOFMZJYCWIBS-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN C[C@@H](NCc1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC000080581435 388711035 /nfs/dbraw/zinc/71/10/35/388711035.db2.gz AHPWWZZZYLPCFV-SECBINFHSA-N 0 0 246.270 2.169 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@@H](O)C1CCC1 ZINC000315906363 388711269 /nfs/dbraw/zinc/71/12/69/388711269.db2.gz UDYGSGNSQRRUPN-GFCCVEGCSA-N 0 0 236.271 2.168 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2CC[C@@H](C3CC3)C2)c1 ZINC000373865517 388712538 /nfs/dbraw/zinc/71/25/38/388712538.db2.gz JGLPPDAFHJYZMM-SNVBAGLBSA-N 0 0 247.298 2.413 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@H](C3CC3)C2)s1 ZINC000374419129 388715178 /nfs/dbraw/zinc/71/51/78/388715178.db2.gz ZBKKZJRNKDIZBB-QMMMGPOBSA-N 0 0 239.300 2.288 20 5 BEBDRN Cc1cnc(N2[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000530484233 388715280 /nfs/dbraw/zinc/71/52/80/388715280.db2.gz YYEOHJUYTBDQDR-IUCAKERBSA-N 0 0 221.260 2.285 20 5 BEBDRN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000428107219 388719329 /nfs/dbraw/zinc/71/93/29/388719329.db2.gz NELLARZQUVWETC-ZSBIGDGJSA-N 0 0 246.266 2.123 20 5 BEBDRN CCc1ccc(C(=O)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000081931366 388722628 /nfs/dbraw/zinc/72/26/28/388722628.db2.gz QICJDQDKNQXETR-UHFFFAOYSA-N 0 0 248.282 2.392 20 5 BEBDRN CC[C@@H](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000154122898 388733574 /nfs/dbraw/zinc/73/35/74/388733574.db2.gz ZABPCYKCVFAINU-SSDOTTSWSA-N 0 0 211.265 2.454 20 5 BEBDRN CC(C)C[C@H](C)Cn1cc([N+](=O)[O-])cn1 ZINC000281048617 388790320 /nfs/dbraw/zinc/79/03/20/388790320.db2.gz SCVOEQSZHBHCGG-VIFPVBQESA-N 0 0 211.265 2.474 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCC(=O)C(F)F)c1 ZINC000282505777 388817353 /nfs/dbraw/zinc/81/73/53/388817353.db2.gz JYZQHWJWPPEGRW-UHFFFAOYSA-N 0 0 245.181 2.116 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC1(C)C ZINC000299334127 388837051 /nfs/dbraw/zinc/83/70/51/388837051.db2.gz HVRPAVLNKKPHPM-NSHDSACASA-N 0 0 248.282 2.432 20 5 BEBDRN CC(C)[C@@H](O)CCNc1sccc1[N+](=O)[O-] ZINC000302048003 388837245 /nfs/dbraw/zinc/83/72/45/388837245.db2.gz YZMJZHZTVGCRRM-VIFPVBQESA-N 0 0 244.316 2.475 20 5 BEBDRN CC(C)=CCNc1ncccc1[N+](=O)[O-] ZINC000232647410 388854801 /nfs/dbraw/zinc/85/48/01/388854801.db2.gz TUEZJVAKQOYFHP-UHFFFAOYSA-N 0 0 207.233 2.368 20 5 BEBDRN Cc1cc(-c2nc(N(C)C)no2)ccc1[N+](=O)[O-] ZINC000269283204 177692216 /nfs/dbraw/zinc/69/22/16/177692216.db2.gz LGUMDDQEXBVSMS-UHFFFAOYSA-N 0 0 248.242 2.019 20 5 BEBDRN CCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001732354 169685606 /nfs/dbraw/zinc/68/56/06/169685606.db2.gz KPQHLFREEYRNHS-UHFFFAOYSA-N 0 0 223.232 2.078 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCO[C@@H](C)C2)c1 ZINC000268071434 132191292 /nfs/dbraw/zinc/19/12/92/132191292.db2.gz CRIRGOUVADGNEU-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[C@@H]1C ZINC000270884230 132197900 /nfs/dbraw/zinc/19/79/00/132197900.db2.gz FGNFPLRLIMUYIF-UWVGGRQHSA-N 0 0 235.287 2.472 20 5 BEBDRN CC[C@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273129579 132201043 /nfs/dbraw/zinc/20/10/43/132201043.db2.gz BGYCJKCWYHSAGW-VIFPVBQESA-N 0 0 236.275 2.011 20 5 BEBDRN C[C@@H]1C[C@@H](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000273568513 132202104 /nfs/dbraw/zinc/20/21/04/132202104.db2.gz CXZOUDRBLRFJQF-DTWKUNHWSA-N 0 0 236.275 2.010 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H]3CCC[C@H]32)nc1 ZINC000273607506 132202110 /nfs/dbraw/zinc/20/21/10/132202110.db2.gz KXHWNYOGJHXIDA-GXSJLCMTSA-N 0 0 248.286 2.154 20 5 BEBDRN C[C@H]1CCCN(c2ncc([N+](=O)[O-])cn2)[C@H]1C ZINC000273658616 132202250 /nfs/dbraw/zinc/20/22/50/132202250.db2.gz VSRAOBHDPIIKQJ-IUCAKERBSA-N 0 0 236.275 2.010 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1N1CCSCC1 ZINC000286248210 132214175 /nfs/dbraw/zinc/21/41/75/132214175.db2.gz IPVXBMUMNWAPNR-UHFFFAOYSA-N 0 0 242.275 2.287 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CCC(CF)CC1 ZINC000294971074 132219948 /nfs/dbraw/zinc/21/99/48/132219948.db2.gz LAMNHHOEMVNPLI-UHFFFAOYSA-N 0 0 239.250 2.176 20 5 BEBDRN Cc1nc(N2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000296540288 132221579 /nfs/dbraw/zinc/22/15/79/132221579.db2.gz NWEHPOBFQQIMGD-QMMMGPOBSA-N 0 0 236.275 2.072 20 5 BEBDRN C[C@@H]1CN(c2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000298294257 132222225 /nfs/dbraw/zinc/22/22/25/132222225.db2.gz IVVFNTHHVLVPED-VHSXEESVSA-N 0 0 236.271 2.208 20 5 BEBDRN CC1=C[C@H](C)CN(c2ccncc2[N+](=O)[O-])C1 ZINC000340860773 132225630 /nfs/dbraw/zinc/22/56/30/132225630.db2.gz CHPNJLXKRHYAJN-VIFPVBQESA-N 0 0 233.271 2.392 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CCC2(CCO2)CC1 ZINC000374408975 132287551 /nfs/dbraw/zinc/28/75/51/132287551.db2.gz LPMOAZREZJVUPL-UHFFFAOYSA-N 0 0 248.282 2.354 20 5 BEBDRN C[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000019645547 132293171 /nfs/dbraw/zinc/29/31/71/132293171.db2.gz PTKIXERGSATGCI-VIFPVBQESA-N 0 0 221.260 2.226 20 5 BEBDRN Cc1cc(N2CCCCN2)c(F)cc1[N+](=O)[O-] ZINC000295729083 132308106 /nfs/dbraw/zinc/30/81/06/132308106.db2.gz VQPZDTTZOPCMKO-UHFFFAOYSA-N 0 0 239.250 2.147 20 5 BEBDRN O=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000335461454 133853260 /nfs/dbraw/zinc/85/32/60/133853260.db2.gz KLMDXNXZHLJJKQ-JGPRNRPPSA-N 0 0 246.266 2.123 20 5 BEBDRN CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351934956 134014188 /nfs/dbraw/zinc/01/41/88/134014188.db2.gz FDUXBBQXTYXBAA-UHFFFAOYSA-N 0 0 238.287 2.445 20 5 BEBDRN Cc1ccc(C(=O)N[C@@H]2CC[C@H]2C)cc1[N+](=O)[O-] ZINC000335946712 134020605 /nfs/dbraw/zinc/02/06/05/134020605.db2.gz GZBVGMHTQDFBBM-LDYMZIIASA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1ccc(C(=O)N[C@H]2CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000335946711 134020740 /nfs/dbraw/zinc/02/07/40/134020740.db2.gz GZBVGMHTQDFBBM-KWQFWETISA-N 0 0 248.282 2.432 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)C1=CCC1 ZINC000335948443 134021041 /nfs/dbraw/zinc/02/10/41/134021041.db2.gz AVTRPDZRBLABES-UHFFFAOYSA-N 0 0 218.212 2.254 20 5 BEBDRN O=[N+]([O-])c1ccccc1CN1CCC(F)(F)C1 ZINC000335958697 134023914 /nfs/dbraw/zinc/02/39/14/134023914.db2.gz MYNDSNVKYRZXSG-UHFFFAOYSA-N 0 0 242.225 2.436 20 5 BEBDRN C[C@@H]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000336014512 134052585 /nfs/dbraw/zinc/05/25/85/134052585.db2.gz YRORWEMTHGBSQI-HTQZYQBOSA-N 0 0 238.243 2.058 20 5 BEBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCC12CCC2 ZINC000336040301 134062106 /nfs/dbraw/zinc/06/21/06/134062106.db2.gz ZHKZRUZNZFIUAW-UHFFFAOYSA-N 0 0 246.266 2.363 20 5 BEBDRN CO[C@H](C)CSc1ccc([N+](=O)[O-])cn1 ZINC000180778860 134331155 /nfs/dbraw/zinc/33/11/55/134331155.db2.gz BXNJRECEWCSTMN-SSDOTTSWSA-N 0 0 228.273 2.117 20 5 BEBDRN CC1(C)C[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000227527020 134382935 /nfs/dbraw/zinc/38/29/35/134382935.db2.gz KETCJCLOPHMEOK-MRVPVSSYSA-N 0 0 221.260 2.448 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](F)C2)n1 ZINC000408103540 134392350 /nfs/dbraw/zinc/39/23/50/134392350.db2.gz BGAQWKRVYXVBEM-VIFPVBQESA-N 0 0 239.250 2.237 20 5 BEBDRN CSC1(CNc2ccncc2[N+](=O)[O-])CC1 ZINC000227992135 134396266 /nfs/dbraw/zinc/39/62/66/134396266.db2.gz YEENUGBLXHINMO-UHFFFAOYSA-N 0 0 239.300 2.297 20 5 BEBDRN Cc1c(NCCn2cccn2)cccc1[N+](=O)[O-] ZINC000062723958 134428543 /nfs/dbraw/zinc/42/85/43/134428543.db2.gz DXMHEICPSSVEHH-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000229871808 134467853 /nfs/dbraw/zinc/46/78/53/134467853.db2.gz AIVORSJUBCRXBN-MRVPVSSYSA-N 0 0 232.243 2.491 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2noc(NC3CC3)n2)cc1 ZINC000053750724 134750347 /nfs/dbraw/zinc/75/03/47/134750347.db2.gz FLJWZKFZXZQXGE-UHFFFAOYSA-N 0 0 246.226 2.219 20 5 BEBDRN Cc1cc(NCc2cccnn2)ccc1[N+](=O)[O-] ZINC000235858523 134815367 /nfs/dbraw/zinc/81/53/67/134815367.db2.gz TYNVNWVLSMSVQW-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CCCCOCCOc1cccnc1[N+](=O)[O-] ZINC000077431706 135066922 /nfs/dbraw/zinc/06/69/22/135066922.db2.gz RGCVMVXXKANXMU-UHFFFAOYSA-N 0 0 240.259 2.185 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C1CC=CC1 ZINC000077734037 135075066 /nfs/dbraw/zinc/07/50/66/135075066.db2.gz OPXRJROJTREPOY-UHFFFAOYSA-N 0 0 232.239 2.500 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC[C@@H]1CCCO1 ZINC000078755503 135150309 /nfs/dbraw/zinc/15/03/09/135150309.db2.gz IXFRPVRBLCXRIH-NSHDSACASA-N 0 0 237.255 2.461 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCCS2)nc1 ZINC000087475299 135507975 /nfs/dbraw/zinc/50/79/75/135507975.db2.gz LYEVAQREVRGFRI-VIFPVBQESA-N 0 0 239.300 2.297 20 5 BEBDRN Cc1cnc(N[C@@H]2C[C@@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000343826297 135701056 /nfs/dbraw/zinc/70/10/56/135701056.db2.gz BUJXYQNKJPGTOA-NKWVEPMBSA-N 0 0 243.213 2.364 20 5 BEBDRN CCN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCC1 ZINC000348311376 136067172 /nfs/dbraw/zinc/06/71/72/136067172.db2.gz BSZPEDXFXUZDKE-UHFFFAOYSA-N 0 0 238.243 2.202 20 5 BEBDRN Cc1cccc(N2CC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000335399774 136093675 /nfs/dbraw/zinc/09/36/75/136093675.db2.gz PMCDOYYWFHGBQW-SECBINFHSA-N 0 0 224.235 2.451 20 5 BEBDRN CCC1CN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000335571876 136110152 /nfs/dbraw/zinc/11/01/52/136110152.db2.gz STVYHNCZMUKXLY-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN CC[C@H](CNc1ncc(C)cc1[N+](=O)[O-])OC ZINC000290629468 397855987 /nfs/dbraw/zinc/85/59/87/397855987.db2.gz HAAAFCBGAKELCF-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1c(OCCC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000336728255 397949197 /nfs/dbraw/zinc/94/91/97/397949197.db2.gz WREVJASVRPRVCM-SECBINFHSA-N 0 0 239.271 2.443 20 5 BEBDRN C[C@H](C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000617687269 397969988 /nfs/dbraw/zinc/96/99/88/397969988.db2.gz BMWJYYRSJAPTFN-JTQLQIEISA-N 0 0 248.282 2.321 20 5 BEBDRN C[C@@H](C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000617687270 397970195 /nfs/dbraw/zinc/97/01/95/397970195.db2.gz BMWJYYRSJAPTFN-SNVBAGLBSA-N 0 0 248.282 2.321 20 5 BEBDRN CC(C)(C)CNc1cccnc1[N+](=O)[O-] ZINC000156966472 398092928 /nfs/dbraw/zinc/09/29/28/398092928.db2.gz UHMIYLDQEIKROD-UHFFFAOYSA-N 0 0 209.249 2.448 20 5 BEBDRN CC/C=C/CCn1c(C)ncc1[N+](=O)[O-] ZINC000341663421 398056098 /nfs/dbraw/zinc/05/60/98/398056098.db2.gz HSEXNMVHPAOFHE-SNAWJCMRSA-N 0 0 209.249 2.456 20 5 BEBDRN Cc1c[nH]cc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000334469933 398092120 /nfs/dbraw/zinc/09/21/20/398092120.db2.gz FALWUTREGRPEPD-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN CSCOc1ccc([N+](=O)[O-])cc1F ZINC000292567673 398105172 /nfs/dbraw/zinc/10/51/72/398105172.db2.gz DPCKRBSROFYQGG-UHFFFAOYSA-N 0 0 217.221 2.433 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N1CCc2ccccc21 ZINC000006547872 398116839 /nfs/dbraw/zinc/11/68/39/398116839.db2.gz MXEONVVQSDTJDS-UHFFFAOYSA-N 0 0 244.254 2.023 20 5 BEBDRN CC(C)OCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195038666 398130359 /nfs/dbraw/zinc/13/03/59/398130359.db2.gz UUVPKEPLMGOMDW-UHFFFAOYSA-N 0 0 239.275 2.094 20 5 BEBDRN O=[N+]([O-])c1cnc(Oc2cccnc2)c(F)c1 ZINC001651311205 1172942008 /nfs/dbraw/zinc/94/20/08/1172942008.db2.gz DZIOUPFSCDHYAE-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN O=[N+]([O-])c1cnc(NCc2ccncc2)c(F)c1 ZINC001651309277 1172942229 /nfs/dbraw/zinc/94/22/29/1172942229.db2.gz LQVNCTRBPSUICG-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN O=[N+]([O-])c1cnn(-c2nc3ccc(F)cc3o2)c1 ZINC001651348547 1172944526 /nfs/dbraw/zinc/94/45/26/1172944526.db2.gz QTTMNQORUMTEOP-UHFFFAOYSA-N 0 0 248.173 2.061 20 5 BEBDRN Cc1cccc(Oc2cnccn2)c1[N+](=O)[O-] ZINC001651654846 1172970898 /nfs/dbraw/zinc/97/08/98/1172970898.db2.gz RLUOFCBRSTYLOE-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN CCC(C)(C)CC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001651834381 1172992551 /nfs/dbraw/zinc/99/25/51/1172992551.db2.gz BGBJBRRXMHQZRC-UHFFFAOYSA-N 0 0 240.263 2.083 20 5 BEBDRN C[C@@H]1OCC[C@@H]1COc1ccsc1[N+](=O)[O-] ZINC001651990875 1173022610 /nfs/dbraw/zinc/02/26/10/1173022610.db2.gz LXVOESRFRIDIHF-JGVFFNPUSA-N 0 0 243.284 2.460 20 5 BEBDRN CC(C)(C)CCOCn1nccc1[N+](=O)[O-] ZINC000292766519 166573555 /nfs/dbraw/zinc/57/35/55/166573555.db2.gz XBJCLTGFYJNICR-UHFFFAOYSA-N 0 0 227.264 2.202 20 5 BEBDRN CC(C)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000082563294 166702620 /nfs/dbraw/zinc/70/26/20/166702620.db2.gz HSZABEFNDXYMCW-UHFFFAOYSA-N 0 0 223.228 2.199 20 5 BEBDRN CC(C)CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000309247391 167017107 /nfs/dbraw/zinc/01/71/07/167017107.db2.gz CTOQWPDMXHHFAK-UHFFFAOYSA-N 0 0 227.239 2.384 20 5 BEBDRN CC(C)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000039019483 167160681 /nfs/dbraw/zinc/16/06/81/167160681.db2.gz BIQVGTDVBKWQPF-UHFFFAOYSA-N 0 0 223.228 2.089 20 5 BEBDRN CC(C)OCCOc1cccc([N+](=O)[O-])c1 ZINC000058834936 167249590 /nfs/dbraw/zinc/24/95/90/167249590.db2.gz PXCGGAMJXYRBFG-UHFFFAOYSA-N 0 0 225.244 2.399 20 5 BEBDRN CC(C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1F ZINC000134962677 167458258 /nfs/dbraw/zinc/45/82/58/167458258.db2.gz YBIHELGRGLHLFZ-NSHDSACASA-N 0 0 242.250 2.163 20 5 BEBDRN Cc1cnccc1CNc1cccnc1[N+](=O)[O-] ZINC000228705523 411185851 /nfs/dbraw/zinc/18/58/51/411185851.db2.gz WAPGUVWAQDPSBO-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC/C=C/CNc1ncc([N+](=O)[O-])s1 ZINC000295074737 167857553 /nfs/dbraw/zinc/85/75/53/167857553.db2.gz WVOSFHRYGFOOGO-ONEGZZNKSA-N 0 0 213.262 2.429 20 5 BEBDRN CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000357255674 168037530 /nfs/dbraw/zinc/03/75/30/168037530.db2.gz OZBXPNCVTOSCAU-UHFFFAOYSA-N 0 0 234.255 2.125 20 5 BEBDRN CC1(CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000357216449 168038793 /nfs/dbraw/zinc/03/87/93/168038793.db2.gz IXUPUHGTKVPAIH-UHFFFAOYSA-N 0 0 240.284 2.186 20 5 BEBDRN CC1(Nc2ncc([N+](=O)[O-])s2)CCC1 ZINC000189690150 168065975 /nfs/dbraw/zinc/06/59/75/168065975.db2.gz RIFJCHIFGOTZPP-UHFFFAOYSA-N 0 0 213.262 2.406 20 5 BEBDRN CC1=C(C)CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000280721361 168083423 /nfs/dbraw/zinc/08/34/23/168083423.db2.gz JPYXTMQWALTGRV-UHFFFAOYSA-N 0 0 249.270 2.105 20 5 BEBDRN CC1=CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000282064321 168117391 /nfs/dbraw/zinc/11/73/91/168117391.db2.gz YQKUMONTDXHUSU-UHFFFAOYSA-N 0 0 225.273 2.208 20 5 BEBDRN CC1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000336505622 168189006 /nfs/dbraw/zinc/18/90/06/168189006.db2.gz JXMKEUOEKGTXEH-UHFFFAOYSA-N 0 0 235.243 2.078 20 5 BEBDRN CCC(=O)CCCn1nc(C)c([N+](=O)[O-])c1C ZINC000183780530 168200798 /nfs/dbraw/zinc/20/07/98/168200798.db2.gz YKDXUKGYBGWYJO-UHFFFAOYSA-N 0 0 239.275 2.167 20 5 BEBDRN CCC(=O)COc1ccc([N+](=O)[O-])c(F)c1F ZINC000295962941 168210298 /nfs/dbraw/zinc/21/02/98/168210298.db2.gz MVOBOWADOGMNNL-UHFFFAOYSA-N 0 0 245.181 2.231 20 5 BEBDRN CCC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295472737 168235624 /nfs/dbraw/zinc/23/56/24/168235624.db2.gz YKVBMSNQNCRTNQ-QMMMGPOBSA-N 0 0 222.244 2.182 20 5 BEBDRN CCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000005768315 168249963 /nfs/dbraw/zinc/24/99/63/168249963.db2.gz KKWLVJAHJBMNLB-UHFFFAOYSA-N 0 0 209.201 2.048 20 5 BEBDRN CCNc1cc([N+](=O)[O-])ccc1OCC ZINC000309034778 170172883 /nfs/dbraw/zinc/17/28/83/170172883.db2.gz HLHKYCVDBWRQDW-UHFFFAOYSA-N 0 0 210.233 2.425 20 5 BEBDRN CCOC(C)(C)CNc1ccc([N+](=O)[O-])cn1 ZINC000159513314 170313872 /nfs/dbraw/zinc/31/38/72/170313872.db2.gz QJUZBJDMLSPOMU-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN CCOC(C)(C)CNc1ncccc1[N+](=O)[O-] ZINC000159533772 170314399 /nfs/dbraw/zinc/31/43/99/170314399.db2.gz QFIJEILLCSZXDO-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN CCOC1CN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000294004493 170337083 /nfs/dbraw/zinc/33/70/83/170337083.db2.gz JSLWKSIJWJMTFA-UHFFFAOYSA-N 0 0 236.271 2.128 20 5 BEBDRN CCOCCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000128905797 170384085 /nfs/dbraw/zinc/38/40/85/170384085.db2.gz KRQLHNNXBRGMKV-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN CCOCCCNc1ncc([N+](=O)[O-])cc1C ZINC000052812242 170384420 /nfs/dbraw/zinc/38/44/20/170384420.db2.gz JERJUPKOMHFWCC-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN CCOCCn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000269348927 170429812 /nfs/dbraw/zinc/42/98/12/170429812.db2.gz JBHHIKCSGVJNQA-UHFFFAOYSA-N 0 0 249.270 2.289 20 5 BEBDRN CC[C@@H](O)COc1cc([N+](=O)[O-])ccc1Cl ZINC000069635319 170935869 /nfs/dbraw/zinc/93/58/69/170935869.db2.gz FBKFLLABHZFHMM-MRVPVSSYSA-N 0 0 245.662 2.398 20 5 BEBDRN CC[C@@H](O)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000157000722 170936163 /nfs/dbraw/zinc/93/61/63/170936163.db2.gz XHIHYGVWLIZCDV-SECBINFHSA-N 0 0 225.244 2.053 20 5 BEBDRN CC[C@@H]1CCC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274023849 170992181 /nfs/dbraw/zinc/99/21/81/170992181.db2.gz WHLXMXSWPSGHSN-SCZZXKLOSA-N 0 0 236.275 2.375 20 5 BEBDRN CCOC[C@H](C)Oc1c(O)cccc1[N+](=O)[O-] ZINC001226332554 974863362 /nfs/dbraw/zinc/86/33/62/974863362.db2.gz BYVUTXWEUXSROQ-QMMMGPOBSA-N 0 0 241.243 2.104 20 5 BEBDRN CC[C@@H]1C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000227013442 171123961 /nfs/dbraw/zinc/12/39/61/171123961.db2.gz IXUKMZQNRWYSCF-SFYZADRCSA-N 0 0 207.233 2.200 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000281917362 171140737 /nfs/dbraw/zinc/14/07/37/171140737.db2.gz YUNKOJGGZTYZFY-MWLCHTKSSA-N 0 0 248.282 2.432 20 5 BEBDRN CC[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000006791435 171328486 /nfs/dbraw/zinc/32/84/86/171328486.db2.gz NOBAJVBJRUBESB-VIFPVBQESA-N 0 0 236.271 2.052 20 5 BEBDRN CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000298286495 171336380 /nfs/dbraw/zinc/33/63/80/171336380.db2.gz DHKJHDUFYHZAQF-LURJTMIESA-N 0 0 242.300 2.493 20 5 BEBDRN CC[C@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000048265393 171351665 /nfs/dbraw/zinc/35/16/65/171351665.db2.gz VRKYEGNYYZSWOK-ZETCQYMHSA-N 0 0 238.243 2.132 20 5 BEBDRN CC[C@H](C)[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000042417211 171368078 /nfs/dbraw/zinc/36/80/78/171368078.db2.gz QOMXSHLAEAAXRW-JGVFFNPUSA-N 0 0 226.280 2.175 20 5 BEBDRN CC[C@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299134910 171387885 /nfs/dbraw/zinc/38/78/85/171387885.db2.gz GDDPGSRVULZPPA-YUMQZZPRSA-N 0 0 239.275 2.087 20 5 BEBDRN CC[C@H](C)[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000042417213 171390909 /nfs/dbraw/zinc/39/09/09/171390909.db2.gz QOMXSHLAEAAXRW-YUMQZZPRSA-N 0 0 226.280 2.175 20 5 BEBDRN CC[C@H](O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000156998315 171578409 /nfs/dbraw/zinc/57/84/09/171578409.db2.gz OSDQBVHBIRPEDZ-ZETCQYMHSA-N 0 0 245.662 2.398 20 5 BEBDRN CC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000336378855 171620046 /nfs/dbraw/zinc/62/00/46/171620046.db2.gz YWWWIGZAGHYBIQ-QMMMGPOBSA-N 0 0 238.243 2.202 20 5 BEBDRN CC[C@H]1C[C@H]1Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000310079878 171679793 /nfs/dbraw/zinc/67/97/93/171679793.db2.gz CIDJEJAISHIHTE-DTWKUNHWSA-N 0 0 238.291 2.330 20 5 BEBDRN CCc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000174178184 171786884 /nfs/dbraw/zinc/78/68/84/171786884.db2.gz IWXZFHOBRBSCFL-GZMMTYOYSA-N 0 0 248.282 2.295 20 5 BEBDRN CCc1nccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000108658211 172028401 /nfs/dbraw/zinc/02/84/01/172028401.db2.gz YEPHUCOVKIKGSS-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN CCn1cc(NCc2ccccc2[N+](=O)[O-])cn1 ZINC000035780152 172185144 /nfs/dbraw/zinc/18/51/44/172185144.db2.gz JOMGRPQPHMJIEZ-UHFFFAOYSA-N 0 0 246.270 2.423 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[C@H]1C ZINC000159428523 172248815 /nfs/dbraw/zinc/24/88/15/172248815.db2.gz FTAOQVZWOFKEFT-VXNVDRBHSA-N 0 0 238.291 2.188 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[C@@H]1C ZINC000159428121 172249155 /nfs/dbraw/zinc/24/91/55/172249155.db2.gz FTAOQVZWOFKEFT-CBAPKCEASA-N 0 0 238.291 2.188 20 5 BEBDRN COCCCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000090692238 174205311 /nfs/dbraw/zinc/20/53/11/174205311.db2.gz UZFGZEUPYHCCFE-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN COCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000114095851 174206121 /nfs/dbraw/zinc/20/61/21/174206121.db2.gz AUSDUGIHBHRBQR-UHFFFAOYSA-N 0 0 225.244 2.400 20 5 BEBDRN COCCCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000087799918 174257208 /nfs/dbraw/zinc/25/72/08/174257208.db2.gz NAZBRDFOYIFKGY-UHFFFAOYSA-N 0 0 229.207 2.149 20 5 BEBDRN COCCSc1nccc(C)c1[N+](=O)[O-] ZINC000266469981 174378088 /nfs/dbraw/zinc/37/80/88/174378088.db2.gz NSLYSZVSBSKTPY-UHFFFAOYSA-N 0 0 228.273 2.037 20 5 BEBDRN COC[C@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129753133 174553804 /nfs/dbraw/zinc/55/38/04/174553804.db2.gz GOTOZADYGFFNNJ-LURJTMIESA-N 0 0 245.666 2.090 20 5 BEBDRN CO[C@@H](C)CN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC000286686391 174695484 /nfs/dbraw/zinc/69/54/84/174695484.db2.gz YRNREWKPNSUVRJ-JTQLQIEISA-N 0 0 238.287 2.374 20 5 BEBDRN CO[C@@H](C)COc1ccc([N+](=O)[O-])cc1 ZINC000079783322 174707811 /nfs/dbraw/zinc/70/78/11/174707811.db2.gz DCYOHMBHWIASHJ-QMMMGPOBSA-N 0 0 211.217 2.009 20 5 BEBDRN CO[C@H](C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC000265301116 174819613 /nfs/dbraw/zinc/81/96/13/174819613.db2.gz ZZDHEQZUUJHITG-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1CSC ZINC000362340779 175017530 /nfs/dbraw/zinc/01/75/30/175017530.db2.gz UCFPZQGVYMASAS-UHFFFAOYSA-N 0 0 213.258 2.466 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1OCC1CC1 ZINC000115356062 175201098 /nfs/dbraw/zinc/20/10/98/175201098.db2.gz VHHRTWUUPLHAAY-UHFFFAOYSA-N 0 0 223.228 2.392 20 5 BEBDRN CSCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000162030240 175501481 /nfs/dbraw/zinc/50/14/81/175501481.db2.gz ZOEACNIAZJJODG-UHFFFAOYSA-N 0 0 231.248 2.476 20 5 BEBDRN C[C@@H](O)C[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000125516754 175766515 /nfs/dbraw/zinc/76/65/15/175766515.db2.gz SQHKKXBLIJKCSW-DTWKUNHWSA-N 0 0 224.260 2.166 20 5 BEBDRN C[C@@H](O)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000050351914 175983261 /nfs/dbraw/zinc/98/32/61/175983261.db2.gz WOPMVWYTVXXXHC-ZCFIWIBFSA-N 0 0 230.651 2.041 20 5 BEBDRN C[C@@H]1CCCCCN1c1c([N+](=O)[O-])ncn1C ZINC000358212273 176062985 /nfs/dbraw/zinc/06/29/85/176062985.db2.gz PQHXPNOUHPCNDM-SECBINFHSA-N 0 0 238.291 2.097 20 5 BEBDRN C[C@@H]1CCCCN1c1ncc([N+](=O)[O-])s1 ZINC000195505323 176074983 /nfs/dbraw/zinc/07/49/83/176074983.db2.gz FUPMRFQUIOPZKK-SSDOTTSWSA-N 0 0 227.289 2.430 20 5 BEBDRN C[C@@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000040454442 176081979 /nfs/dbraw/zinc/08/19/79/176081979.db2.gz FUTNEMMLECPIDJ-SCZZXKLOSA-N 0 0 236.275 2.375 20 5 BEBDRN C[C@@H]1CCC[C@H](Cn2ncc([N+](=O)[O-])c2N)C1 ZINC000089610451 176139765 /nfs/dbraw/zinc/13/97/65/176139765.db2.gz NHMKDXZBWDKVHU-BDAKNGLRSA-N 0 0 238.291 2.200 20 5 BEBDRN C[C@@H]1CCC[C@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000025571679 176145265 /nfs/dbraw/zinc/14/52/65/176145265.db2.gz BSSOPVFPEOXFNC-BDAKNGLRSA-N 0 0 238.291 2.319 20 5 BEBDRN C[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283746439 176181626 /nfs/dbraw/zinc/18/16/26/176181626.db2.gz KAITWUJKNOUNRZ-MRVPVSSYSA-N 0 0 221.260 2.023 20 5 BEBDRN C[C@@H]1CCOCCN1c1ccccc1[N+](=O)[O-] ZINC000301987118 176188975 /nfs/dbraw/zinc/18/89/75/176188975.db2.gz KMAUNPIGZGGZGC-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000294178240 176253131 /nfs/dbraw/zinc/25/31/31/176253131.db2.gz JKVJGUNMTSMGIB-RKDXNWHRSA-N 0 0 249.270 2.467 20 5 BEBDRN C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000294065385 176262971 /nfs/dbraw/zinc/26/29/71/176262971.db2.gz LEYINSOIYUKUER-RKDXNWHRSA-N 0 0 234.255 2.075 20 5 BEBDRN C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CCC1=O ZINC000168899714 176307716 /nfs/dbraw/zinc/30/77/16/176307716.db2.gz IGJZWSRCBWODBF-SNVBAGLBSA-N 0 0 248.282 2.006 20 5 BEBDRN C[C@H](CO)Sc1ccc([N+](=O)[O-])cc1F ZINC000078676324 176709580 /nfs/dbraw/zinc/70/95/80/176709580.db2.gz IKCWNZWTGBFXIK-ZCFIWIBFSA-N 0 0 231.248 2.207 20 5 BEBDRN C[C@H](NC(=O)NC1CC1)c1ccccc1[N+](=O)[O-] ZINC000271619530 176800225 /nfs/dbraw/zinc/80/02/25/176800225.db2.gz MKXYVXPFQVNPIY-QMMMGPOBSA-N 0 0 249.270 2.117 20 5 BEBDRN C[C@H](O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000087139433 177013003 /nfs/dbraw/zinc/01/30/03/177013003.db2.gz DHFROLQUOACXOF-YUMQZZPRSA-N 0 0 227.285 2.456 20 5 BEBDRN C[C@H]1CCCC[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000035121779 177089375 /nfs/dbraw/zinc/08/93/75/177089375.db2.gz AZRICYPGGSGXOC-DTWKUNHWSA-N 0 0 238.291 2.319 20 5 BEBDRN C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000299588630 177148074 /nfs/dbraw/zinc/14/80/74/177148074.db2.gz DSIZSBUQXHQYHH-JTQLQIEISA-N 0 0 248.282 2.006 20 5 BEBDRN C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000177115734 177154620 /nfs/dbraw/zinc/15/46/20/177154620.db2.gz MEBPERYVMROCKV-UWVGGRQHSA-N 0 0 248.282 2.465 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000294148978 177218401 /nfs/dbraw/zinc/21/84/01/177218401.db2.gz OPNTTYDPGJIWIX-VHSXEESVSA-N 0 0 248.282 2.004 20 5 BEBDRN C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CCC1=O ZINC000168899799 177265913 /nfs/dbraw/zinc/26/59/13/177265913.db2.gz IGJZWSRCBWODBF-JTQLQIEISA-N 0 0 248.282 2.006 20 5 BEBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000171047829 177277546 /nfs/dbraw/zinc/27/75/46/177277546.db2.gz WNCMZOKJMIZIFO-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN C[C@H]1CSC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000336755646 177306690 /nfs/dbraw/zinc/30/66/90/177306690.db2.gz XTLSOJVVKSKOPK-CBAPKCEASA-N 0 0 239.300 2.153 20 5 BEBDRN C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)CCO1 ZINC000235676017 177334545 /nfs/dbraw/zinc/33/45/45/177334545.db2.gz PWLDGVFSCGVCPJ-BQBZGAKWSA-N 0 0 243.288 2.031 20 5 BEBDRN C[C@H]1C[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000124333845 177382057 /nfs/dbraw/zinc/38/20/57/177382057.db2.gz OEHFEMABHSXWCN-YUMQZZPRSA-N 0 0 207.233 2.058 20 5 BEBDRN Cc1conc1COc1ccccc1[N+](=O)[O-] ZINC001652441671 1173081900 /nfs/dbraw/zinc/08/19/00/1173081900.db2.gz PNOOKAYNPLTAPF-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN Cc1ncc(COc2ccc([N+](=O)[O-])cc2)cn1 ZINC000505448863 226355455 /nfs/dbraw/zinc/35/54/55/226355455.db2.gz GRXLAHPFXOFKFO-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN Cc1ncc(COc2cccc([N+](=O)[O-])c2)cn1 ZINC000505468992 226355591 /nfs/dbraw/zinc/35/55/91/226355591.db2.gz YGSJJTMAAREGCT-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN COc1ccc(SCC[N+](=O)[O-])cc1 ZINC000899861127 584242410 /nfs/dbraw/zinc/24/24/10/584242410.db2.gz DSPCDTYWORYRBI-UHFFFAOYSA-N 0 0 213.258 2.064 20 5 BEBDRN CO[C@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000264622312 487728149 /nfs/dbraw/zinc/72/81/49/487728149.db2.gz MNPPOJUXJOEBFP-SSDOTTSWSA-N 0 0 249.226 2.352 20 5 BEBDRN C[C@H](CC(C)(C)C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813111941 586593715 /nfs/dbraw/zinc/59/37/15/586593715.db2.gz XYTYHJYJNYMKTP-BDAKNGLRSA-N 0 0 231.292 2.267 20 5 BEBDRN CC[C@@H](CC(C)C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000835453869 587802923 /nfs/dbraw/zinc/80/29/23/587802923.db2.gz HNOWCUKBRIEUOI-ZJUUUORDSA-N 0 0 231.292 2.267 20 5 BEBDRN COCCCOc1cc([N+](=O)[O-])ccc1OC ZINC000149213863 323037838 /nfs/dbraw/zinc/03/78/38/323037838.db2.gz IKTUWHBKWQXODS-UHFFFAOYSA-N 0 0 241.243 2.019 20 5 BEBDRN COCC1(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000570254398 323054192 /nfs/dbraw/zinc/05/41/92/323054192.db2.gz KQTSNBYACRRFSC-UHFFFAOYSA-N 0 0 236.271 2.494 20 5 BEBDRN O=[N+]([O-])c1ccc(SCCCF)nc1 ZINC000160286316 323064695 /nfs/dbraw/zinc/06/46/95/323064695.db2.gz WGXUVXGYYJHFRA-UHFFFAOYSA-N 0 0 216.237 2.442 20 5 BEBDRN Cc1cnc(CCn2nccc2[N+](=O)[O-])c(C)c1 ZINC000570681673 323066926 /nfs/dbraw/zinc/06/69/26/323066926.db2.gz AGKGLFCAOAORBA-UHFFFAOYSA-N 0 0 246.270 2.046 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Cn1ccnc1C ZINC000070163319 323170036 /nfs/dbraw/zinc/17/00/36/323170036.db2.gz SHFYXBMYIGFPDF-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN Cc1ccnc(N2[C@@H](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000530431845 324595835 /nfs/dbraw/zinc/59/58/35/324595835.db2.gz MFDLQMCANSFRNV-IUCAKERBSA-N 0 0 221.260 2.285 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCc1ccon1 ZINC000131509835 325157936 /nfs/dbraw/zinc/15/79/36/325157936.db2.gz UYHRBRZTXOZWDH-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN C[C@H]1C[C@H]1c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000545062972 325174680 /nfs/dbraw/zinc/17/46/80/325174680.db2.gz LDYMIMFWDQASBU-POYBYMJQSA-N 0 0 248.242 2.107 20 5 BEBDRN O=[N+]([O-])c1cn(Cc2cccc(F)c2F)cn1 ZINC000073679934 325209167 /nfs/dbraw/zinc/20/91/67/325209167.db2.gz NXMXJZNBCJOJBV-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN Cc1cnc(OCc2ccncc2)c([N+](=O)[O-])c1 ZINC000157970692 326302035 /nfs/dbraw/zinc/30/20/35/326302035.db2.gz GAMGZDSTSNOUTI-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CCC[C@H](F)C2)nc1 ZINC000568861066 326379715 /nfs/dbraw/zinc/37/97/15/326379715.db2.gz VUOZSRGOIMVAFB-YUMQZZPRSA-N 0 0 240.238 2.077 20 5 BEBDRN CCSCCSc1c([N+](=O)[O-])ncn1C ZINC000273990217 488041983 /nfs/dbraw/zinc/04/19/83/488041983.db2.gz RNNUQSRSXJAJPS-UHFFFAOYSA-N 0 0 247.345 2.174 20 5 BEBDRN O=C(NC[C@@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000416068476 490169804 /nfs/dbraw/zinc/16/98/04/490169804.db2.gz WEOZHGDDBCNOSV-JTQLQIEISA-N 0 0 246.266 2.125 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2CCC2)nc1 ZINC000034653196 490221984 /nfs/dbraw/zinc/22/19/84/490221984.db2.gz OPIBJWAZRDKYNI-UHFFFAOYSA-N 0 0 207.233 2.202 20 5 BEBDRN C[C@H](COC(=O)[C@@H](C)C1CCCC1)[N+](=O)[O-] ZINC000813112463 582589607 /nfs/dbraw/zinc/58/96/07/582589607.db2.gz QHEBXTBRYYHPRW-BDAKNGLRSA-N 0 0 229.276 2.021 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NCC1CCCCC1 ZINC000891413024 582680706 /nfs/dbraw/zinc/68/07/06/582680706.db2.gz IQUKZVKLCKIEPW-UHFFFAOYSA-N 0 0 238.291 2.321 20 5 BEBDRN CC[C@@H]1COCCN1c1ccccc1[N+](=O)[O-] ZINC000301312511 535837605 /nfs/dbraw/zinc/83/76/05/535837605.db2.gz IVVRYCXGDKYIRB-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN COCCCN(C)c1c(C)cccc1[N+](=O)[O-] ZINC000301190808 536515175 /nfs/dbraw/zinc/51/51/75/536515175.db2.gz RQGRLNULEPGMIC-UHFFFAOYSA-N 0 0 238.287 2.376 20 5 BEBDRN CC1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000492891355 528271788 /nfs/dbraw/zinc/27/17/88/528271788.db2.gz CQESJNCGIHTVQK-WAYWQWQTSA-N 0 0 246.266 2.086 20 5 BEBDRN CCO/C=C\C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000492978655 528541592 /nfs/dbraw/zinc/54/15/92/528541592.db2.gz DGVOBVJAZYNFAR-SREVYHEPSA-N 0 0 236.227 2.084 20 5 BEBDRN CCOCCCCNc1ncc([N+](=O)[O-])s1 ZINC000195509922 528658315 /nfs/dbraw/zinc/65/83/15/528658315.db2.gz OUMABOKXESIBEP-UHFFFAOYSA-N 0 0 245.304 2.280 20 5 BEBDRN COc1cc(CSC)ccc1[N+](=O)[O-] ZINC000351832100 536817425 /nfs/dbraw/zinc/81/74/25/536817425.db2.gz DRRNCOSQLCOBPM-UHFFFAOYSA-N 0 0 213.258 2.466 20 5 BEBDRN COCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000349140838 536833775 /nfs/dbraw/zinc/83/37/75/536833775.db2.gz AHJFVBYORGEFQW-UHFFFAOYSA-N 0 0 233.227 2.062 20 5 BEBDRN CC(C)C1(CNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000892868736 582999515 /nfs/dbraw/zinc/99/95/15/582999515.db2.gz HTPIPXNXFYXMSB-UHFFFAOYSA-N 0 0 238.291 2.176 20 5 BEBDRN C[C@H](COC(=O)c1ccsc1Cl)[N+](=O)[O-] ZINC000853127877 588721914 /nfs/dbraw/zinc/72/19/14/588721914.db2.gz WAYFDOBGRQPQIH-RXMQYKEDSA-N 0 0 249.675 2.224 20 5 BEBDRN CC(C)CON=c1c(Cl)c[nH]cc1[N+](=O)[O-] ZINC000853463810 588744626 /nfs/dbraw/zinc/74/46/26/588744626.db2.gz FJBPOBIHRDQNNF-UHFFFAOYSA-N 0 0 245.666 2.065 20 5 BEBDRN Cc1cc(N2CCCO2)c([N+](=O)[O-])s1 ZINC000853473663 588744984 /nfs/dbraw/zinc/74/49/84/588744984.db2.gz LVHQCPNJIABYOI-UHFFFAOYSA-N 0 0 214.246 2.106 20 5 BEBDRN CC[C@H](C)CONc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000853642073 588751622 /nfs/dbraw/zinc/75/16/22/588751622.db2.gz FOWDEBBIDQNMRK-ZETCQYMHSA-N 0 0 241.247 2.085 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1c1ccc([N+](=O)[O-])cc1 ZINC000853650340 588752319 /nfs/dbraw/zinc/75/23/19/588752319.db2.gz OXWZPRFUZCQLQP-DTWKUNHWSA-N 0 0 206.245 2.439 20 5 BEBDRN COc1ccc(Cn2cc(C)c([N+](=O)[O-])n2)cc1 ZINC000853696644 588757499 /nfs/dbraw/zinc/75/74/99/588757499.db2.gz JCUUIBNUUBTFCW-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN COCCC1CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000853771822 588762483 /nfs/dbraw/zinc/76/24/83/588762483.db2.gz BKMYLSZTNXSBSW-UHFFFAOYSA-N 0 0 236.271 2.068 20 5 BEBDRN Nc1ccc(N[C@@H]2C=CCC2)c([N+](=O)[O-])c1 ZINC000853800740 588764074 /nfs/dbraw/zinc/76/40/74/588764074.db2.gz YRZKEBIKXXBIEO-SECBINFHSA-N 0 0 219.244 2.308 20 5 BEBDRN CC12CC(C1)CN2c1cc(N)ccc1[N+](=O)[O-] ZINC000853997386 588770948 /nfs/dbraw/zinc/77/09/48/588770948.db2.gz KHRLJAKNIVGNFY-UHFFFAOYSA-N 0 0 233.271 2.166 20 5 BEBDRN CC1(CC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000854494458 588789618 /nfs/dbraw/zinc/78/96/18/588789618.db2.gz CUVWDFIMZPZAPC-UHFFFAOYSA-N 0 0 249.270 2.306 20 5 BEBDRN O=C(N[C@@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000855416146 588832012 /nfs/dbraw/zinc/83/20/12/588832012.db2.gz HOGNQERRVBNTKP-SNVBAGLBSA-N 0 0 232.239 2.043 20 5 BEBDRN Cc1c(C(=O)N[C@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000855420289 588832554 /nfs/dbraw/zinc/83/25/54/588832554.db2.gz SYCPSHIZCMFITO-JTQLQIEISA-N 0 0 246.266 2.352 20 5 BEBDRN C[C@H]1C[C@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812814859 582567711 /nfs/dbraw/zinc/56/77/11/582567711.db2.gz RDUOPHNBBHEURQ-JGVFFNPUSA-N 0 0 239.275 2.181 20 5 BEBDRN C/C(=C/C(C)(C)C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813104618 582580717 /nfs/dbraw/zinc/58/07/17/582580717.db2.gz FKPYAWCOOQZOSF-JGAIRUGNSA-N 0 0 229.276 2.187 20 5 BEBDRN C/C(=C\C(=O)OC[C@H](C)[N+](=O)[O-])C(C)(C)C ZINC000813104604 582581041 /nfs/dbraw/zinc/58/10/41/582581041.db2.gz PBCBGCAVKBSQDS-ORZBULNSSA-N 0 0 229.276 2.187 20 5 BEBDRN CCCC[C@@H](C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813111751 582588945 /nfs/dbraw/zinc/58/89/45/582588945.db2.gz WOPNYHWJSUCCQO-RKDXNWHRSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@@H](COC(=O)[C@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813111037 582587843 /nfs/dbraw/zinc/58/78/43/582587843.db2.gz ATWOASMYDCPDAZ-UTLUCORTSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](COC(=O)CCC1CCCC1)[N+](=O)[O-] ZINC000813112499 582589809 /nfs/dbraw/zinc/58/98/09/582589809.db2.gz QTCXJOXJGFUHIK-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@H]1C ZINC000891822712 582726782 /nfs/dbraw/zinc/72/67/82/582726782.db2.gz DJRKCNNVXYOVFO-SFYZADRCSA-N 0 0 237.259 2.066 20 5 BEBDRN C[C@H](CNc1c([N+](=O)[O-])cnn1C)C(C)(C)C ZINC000892542539 582908987 /nfs/dbraw/zinc/90/89/87/582908987.db2.gz AVGPCCKLQPBRCK-MRVPVSSYSA-N 0 0 240.307 2.422 20 5 BEBDRN Cc1cc(C(=O)OC2CC2)cc([N+](=O)[O-])c1 ZINC000783198319 582947867 /nfs/dbraw/zinc/94/78/67/582947867.db2.gz JSNCXBQPEONOEX-UHFFFAOYSA-N 0 0 221.212 2.222 20 5 BEBDRN CCC1(CNc2c([N+](=O)[O-])cnn2C)CCC1 ZINC000892871489 583000485 /nfs/dbraw/zinc/00/04/85/583000485.db2.gz AGZOETQJZXCYFT-UHFFFAOYSA-N 0 0 238.291 2.321 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NC1CC=CC1 ZINC000892915318 583008619 /nfs/dbraw/zinc/00/86/19/583008619.db2.gz AOJBWTKUGWIARY-UHFFFAOYSA-N 0 0 235.243 2.129 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2CC[C@@H]3C[C@@H]3C2)c1 ZINC000853902586 583070417 /nfs/dbraw/zinc/07/04/17/583070417.db2.gz SYKJSJAPSVWOFX-RKDXNWHRSA-N 0 0 233.271 2.023 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NCC1=CCCCC1 ZINC000894016153 583276353 /nfs/dbraw/zinc/27/63/53/583276353.db2.gz MPKKSCWYSWUVQC-UHFFFAOYSA-N 0 0 236.275 2.241 20 5 BEBDRN CCC(C)(C)CC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814036357 583334431 /nfs/dbraw/zinc/33/44/31/583334431.db2.gz WGPZNNKPRJMXCN-MRVPVSSYSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)c1ccsc1 ZINC000814048428 583339635 /nfs/dbraw/zinc/33/96/35/583339635.db2.gz UEGQJRNORFEVJP-SFYZADRCSA-N 0 0 243.284 2.060 20 5 BEBDRN C=C/C=C/CCn1c(C)c([N+](=O)[O-])ccc1=O ZINC000877890156 583353049 /nfs/dbraw/zinc/35/30/49/583353049.db2.gz DOUBAPBKOFJJIT-SNAWJCMRSA-N 0 0 234.255 2.197 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC2)c1C ZINC000895522533 583686080 /nfs/dbraw/zinc/68/60/80/583686080.db2.gz SEQWKUPASJALTM-UHFFFAOYSA-N 0 0 234.255 2.058 20 5 BEBDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000895541065 583688173 /nfs/dbraw/zinc/68/81/73/583688173.db2.gz NTWYBPZBDNDTRR-DOLQZWNJSA-N 0 0 233.271 2.446 20 5 BEBDRN CCC[C@@H](O)CCNc1ncc([N+](=O)[O-])s1 ZINC000896185981 583780835 /nfs/dbraw/zinc/78/08/35/583780835.db2.gz KGVJYYHNHZCOCJ-SSDOTTSWSA-N 0 0 245.304 2.014 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(SC2COC2)c1 ZINC000896961294 583865603 /nfs/dbraw/zinc/86/56/03/583865603.db2.gz XLAUNFKJNMPQIA-UHFFFAOYSA-N 0 0 225.269 2.394 20 5 BEBDRN CO[C@@H]1CC[C@H]1N(C)c1ccsc1[N+](=O)[O-] ZINC000897142926 583884073 /nfs/dbraw/zinc/88/40/73/583884073.db2.gz VOMRXAPTOHMXOY-VXNVDRBHSA-N 0 0 242.300 2.270 20 5 BEBDRN CO[C@H]1CC[C@H]1N(C)c1ccsc1[N+](=O)[O-] ZINC000897142923 583884110 /nfs/dbraw/zinc/88/41/10/583884110.db2.gz VOMRXAPTOHMXOY-APPZFPTMSA-N 0 0 242.300 2.270 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@@H]2C2CCCC2)nc1 ZINC000897155118 583886174 /nfs/dbraw/zinc/88/61/74/583886174.db2.gz CEJRRLBAOGPOTP-LLVKDONJSA-N 0 0 248.286 2.154 20 5 BEBDRN O=c1[nH]ccc(N[C@@H]2C[C@@H]3CCC[C@H]23)c1[N+](=O)[O-] ZINC000897177523 583890514 /nfs/dbraw/zinc/89/05/14/583890514.db2.gz QQKGZGABYDNIQL-OYNCUSHFSA-N 0 0 249.270 2.296 20 5 BEBDRN C[C@@H]1CC=CC[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000897392785 583948668 /nfs/dbraw/zinc/94/86/68/583948668.db2.gz NYUOPJVLLODDSV-PSASIEDQSA-N 0 0 248.286 2.339 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCCC1CC1 ZINC000865353228 584016445 /nfs/dbraw/zinc/01/64/45/584016445.db2.gz XNMIDNFUOGCSIK-UHFFFAOYSA-N 0 0 209.249 2.290 20 5 BEBDRN Cc1noc(OCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000865356838 584016447 /nfs/dbraw/zinc/01/64/47/584016447.db2.gz QSXPVDJPDJWHSL-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CC(C)Oc1cccc(OCC[N+](=O)[O-])c1 ZINC000899230105 584182876 /nfs/dbraw/zinc/18/28/76/584182876.db2.gz DCLLVOFCWUEPFL-UHFFFAOYSA-N 0 0 225.244 2.129 20 5 BEBDRN O=[N+]([O-])CCOc1ccc(OCC2CC2)cc1 ZINC000899231827 584182957 /nfs/dbraw/zinc/18/29/57/584182957.db2.gz HTFZPUANGZHFLZ-UHFFFAOYSA-N 0 0 237.255 2.131 20 5 BEBDRN CSc1ccc(OCC[N+](=O)[O-])cc1 ZINC000899230833 584183120 /nfs/dbraw/zinc/18/31/20/584183120.db2.gz LQQZRZXWNAQSJL-UHFFFAOYSA-N 0 0 213.258 2.064 20 5 BEBDRN Cc1ccc2cccc(OCC[N+](=O)[O-])c2n1 ZINC000899232007 584183529 /nfs/dbraw/zinc/18/35/29/584183529.db2.gz WGBKSBOSTBSJHR-UHFFFAOYSA-N 0 0 232.239 2.199 20 5 BEBDRN O=[N+]([O-])CCSCc1c(F)cccc1F ZINC000899885562 584246869 /nfs/dbraw/zinc/24/68/69/584246869.db2.gz MXHUBDPJNUHDRJ-UHFFFAOYSA-N 0 0 233.239 2.475 20 5 BEBDRN Cc1c(NC(=O)CCF)cccc1[N+](=O)[O-] ZINC000899934477 584257955 /nfs/dbraw/zinc/25/79/55/584257955.db2.gz AANSUTJSOIQXEV-UHFFFAOYSA-N 0 0 226.207 2.201 20 5 BEBDRN C[C@@H](NC(=O)CCF)c1cccc([N+](=O)[O-])c1 ZINC000900268494 584290292 /nfs/dbraw/zinc/29/02/92/584290292.db2.gz PSLREPXVQZELFL-MRVPVSSYSA-N 0 0 240.234 2.132 20 5 BEBDRN COc1ccccc1CSCC[N+](=O)[O-] ZINC000901493179 584453094 /nfs/dbraw/zinc/45/30/94/584453094.db2.gz CGCQFYBXXGVPIV-UHFFFAOYSA-N 0 0 227.285 2.205 20 5 BEBDRN Cc1nc(SCC[N+](=O)[O-])sc1C ZINC000901497233 584454268 /nfs/dbraw/zinc/45/42/68/584454268.db2.gz PZPBYQOVDDOOTN-UHFFFAOYSA-N 0 0 218.303 2.129 20 5 BEBDRN CCc1nc(SCC[N+](=O)[O-])sc1C ZINC000901572416 584466471 /nfs/dbraw/zinc/46/64/71/584466471.db2.gz KYYMXKVECNTAAJ-UHFFFAOYSA-N 0 0 232.330 2.383 20 5 BEBDRN O=[N+]([O-])CCSC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000901583788 584467231 /nfs/dbraw/zinc/46/72/31/584467231.db2.gz WGTIQKGDLZLLRO-BBBLOLIVSA-N 0 0 215.318 2.433 20 5 BEBDRN O=[N+]([O-])c1cccc(NC[C@@H]2C[C@]23CCOC3)c1 ZINC000901921377 584504825 /nfs/dbraw/zinc/50/48/25/584504825.db2.gz IIJAPFMTYBYCSQ-GWCFXTLKSA-N 0 0 248.282 2.433 20 5 BEBDRN CC[C@@H]1C[C@H]1Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000902299503 584553097 /nfs/dbraw/zinc/55/30/97/584553097.db2.gz YICOUOQUCQLOLL-ZJUUUORDSA-N 0 0 236.271 2.111 20 5 BEBDRN CC[C@@H]1C[C@H]1Cn1c(C)ccc([N+](=O)[O-])c1=O ZINC000902339450 584556457 /nfs/dbraw/zinc/55/64/57/584556457.db2.gz FVRGKWGCISNYJD-ZJUUUORDSA-N 0 0 236.271 2.111 20 5 BEBDRN CC[C@@H]1C[C@H]1Cn1cc(C)c([N+](=O)[O-])n1 ZINC000902372142 584566523 /nfs/dbraw/zinc/56/65/23/584566523.db2.gz HTOLFWICXCYMSX-BDAKNGLRSA-N 0 0 209.249 2.146 20 5 BEBDRN O=[N+]([O-])c1ncccc1Cn1ccnc1C1CC1 ZINC000902613132 584643347 /nfs/dbraw/zinc/64/33/47/584643347.db2.gz VAAZSYPBTQEXOF-UHFFFAOYSA-N 0 0 244.254 2.112 20 5 BEBDRN C/C=C\COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000731519373 584926756 /nfs/dbraw/zinc/92/67/56/584926756.db2.gz PBOCNGWBORGXJO-IHWYPQMZSA-N 0 0 239.202 2.467 20 5 BEBDRN O=C(OCC1CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731547613 584927085 /nfs/dbraw/zinc/92/70/85/584927085.db2.gz ONGNBLDDHGADAT-UHFFFAOYSA-N 0 0 239.202 2.301 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC2)c1C ZINC000888336356 585012442 /nfs/dbraw/zinc/01/24/42/585012442.db2.gz SNARTAONKHMHAZ-UHFFFAOYSA-N 0 0 248.282 2.351 20 5 BEBDRN CCCC(=O)COc1ccc([N+](=O)[O-])cc1F ZINC000050185497 585073811 /nfs/dbraw/zinc/07/38/11/585073811.db2.gz DIXXLQXXFBDKLE-UHFFFAOYSA-N 0 0 241.218 2.482 20 5 BEBDRN O=C(OCCCF)c1cccc([N+](=O)[O-])c1 ZINC000741443039 585113544 /nfs/dbraw/zinc/11/35/44/585113544.db2.gz HPCCJPFSIJBXKR-UHFFFAOYSA-N 0 0 227.191 2.111 20 5 BEBDRN Cc1c(C(=O)OCCCF)cccc1[N+](=O)[O-] ZINC000741446384 585114189 /nfs/dbraw/zinc/11/41/89/585114189.db2.gz ZGOZYPNYTOJDGO-UHFFFAOYSA-N 0 0 241.218 2.420 20 5 BEBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)OCC1CCC1 ZINC000741835854 585120080 /nfs/dbraw/zinc/12/00/80/585120080.db2.gz QGANPRFYFTYRBH-UHFFFAOYSA-N 0 0 249.266 2.481 20 5 BEBDRN O=c1ccnc(C=Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000742220500 585123255 /nfs/dbraw/zinc/12/32/55/585123255.db2.gz ONWVQYIXJZXNDJ-ZZXKWVIFSA-N 0 0 243.222 2.261 20 5 BEBDRN NC(CC1CC1)=NOCc1ccccc1[N+](=O)[O-] ZINC000742364295 585124836 /nfs/dbraw/zinc/12/48/36/585124836.db2.gz BMFTTXNMYZJBLZ-UHFFFAOYSA-N 0 0 249.270 2.393 20 5 BEBDRN CCCN(CC)c1nc2ccccn2c1[N+](=O)[O-] ZINC000748281321 585190227 /nfs/dbraw/zinc/19/02/27/585190227.db2.gz NTLLJYCXVKNQKH-UHFFFAOYSA-N 0 0 248.286 2.479 20 5 BEBDRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc[nH]c1 ZINC000750496629 585215964 /nfs/dbraw/zinc/21/59/64/585215964.db2.gz JEIUUFULKVLVFZ-UHFFFAOYSA-N 0 0 246.222 2.280 20 5 BEBDRN O=C(OCCF)c1cccc(Cl)c1[N+](=O)[O-] ZINC000750539297 585217162 /nfs/dbraw/zinc/21/71/62/585217162.db2.gz BAZAIZSHHAKLBD-UHFFFAOYSA-N 0 0 247.609 2.375 20 5 BEBDRN Cc1cc(F)cc(C(=O)OCCF)c1[N+](=O)[O-] ZINC000752559383 585247867 /nfs/dbraw/zinc/24/78/67/585247867.db2.gz WBVBVPJSPKFISE-UHFFFAOYSA-N 0 0 245.181 2.169 20 5 BEBDRN CC(=O)COc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000752909089 585251069 /nfs/dbraw/zinc/25/10/69/585251069.db2.gz NJZDAJWHLKHGHD-UHFFFAOYSA-N 0 0 247.609 2.355 20 5 BEBDRN Cc1nonc1COc1ccc(C)c([N+](=O)[O-])c1 ZINC000755249034 585296355 /nfs/dbraw/zinc/29/63/55/585296355.db2.gz HGAYEQMXJHMUTE-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CCOCOc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000758411713 585355919 /nfs/dbraw/zinc/35/59/19/585355919.db2.gz ZXFBGZMZSQMIHE-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN CC[C@@H](C)COC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000761973938 585423587 /nfs/dbraw/zinc/42/35/87/585423587.db2.gz AUFMNOGUWMCIBM-MRVPVSSYSA-N 0 0 238.243 2.193 20 5 BEBDRN CCC(CC)OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000762114834 585426920 /nfs/dbraw/zinc/42/69/20/585426920.db2.gz HVKCQUKNVFBGLB-UHFFFAOYSA-N 0 0 238.243 2.335 20 5 BEBDRN O=c1c(Cl)cc([N+](=O)[O-])cn1C/C=C\Cl ZINC000763262767 585445478 /nfs/dbraw/zinc/44/54/78/585445478.db2.gz MVCXHEGYZSDTAA-UPHRSURJSA-N 0 0 249.053 2.162 20 5 BEBDRN CON(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000768701391 585542247 /nfs/dbraw/zinc/54/22/47/585542247.db2.gz QXMDTBIMQTUIAR-UHFFFAOYSA-N 0 0 230.651 2.241 20 5 BEBDRN C/C=C\C(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000773994922 585647770 /nfs/dbraw/zinc/64/77/70/585647770.db2.gz VGWAPIZUWVEOAH-ARJAWSKDSA-N 0 0 246.266 2.368 20 5 BEBDRN C[C@H]1COCCCN1c1ccc([N+](=O)[O-])cc1 ZINC000774535665 585661002 /nfs/dbraw/zinc/66/10/02/585661002.db2.gz DNEDGRNGGBUDDG-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN COC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000775600360 585681294 /nfs/dbraw/zinc/68/12/94/585681294.db2.gz KZZWZQHRLFOLEX-ZETCQYMHSA-N 0 0 224.216 2.012 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1CN1CC=CCC1 ZINC000778969505 585743108 /nfs/dbraw/zinc/74/31/08/585743108.db2.gz NTXZZUWDALJGQO-UHFFFAOYSA-N 0 0 236.246 2.496 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC(OC(F)F)C2)cc1 ZINC000780598819 585782208 /nfs/dbraw/zinc/78/22/08/585782208.db2.gz GFUPWEJRVWFJAU-UHFFFAOYSA-N 0 0 244.197 2.023 20 5 BEBDRN O=C(OC1CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000783197961 585830129 /nfs/dbraw/zinc/83/01/29/585830129.db2.gz HEJFWGPRUHXKKD-UHFFFAOYSA-N 0 0 246.222 2.395 20 5 BEBDRN CCNC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000783871223 585845362 /nfs/dbraw/zinc/84/53/62/585845362.db2.gz CIBICNOLVAGVJP-CMDGGOBGSA-N 0 0 234.255 2.134 20 5 BEBDRN O=[N+]([O-])c1cc(NCCC2(O)CC2)ccc1F ZINC000785520436 585874613 /nfs/dbraw/zinc/87/46/13/585874613.db2.gz XNILWYXWKDLYPA-UHFFFAOYSA-N 0 0 240.234 2.061 20 5 BEBDRN O=C(OCC1(F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000789592212 585944981 /nfs/dbraw/zinc/94/49/81/585944981.db2.gz YVVDAMMJFLXHDM-UHFFFAOYSA-N 0 0 239.202 2.254 20 5 BEBDRN O=C(OCC1(F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000789600769 585945640 /nfs/dbraw/zinc/94/56/40/585945640.db2.gz JYSWWHKBKUPLTC-UHFFFAOYSA-N 0 0 239.202 2.254 20 5 BEBDRN C[C@@H]1CCN(CC[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000791051588 585972875 /nfs/dbraw/zinc/97/28/75/585972875.db2.gz GAJFOCPXOQECAL-MNOVXSKESA-N 0 0 238.287 2.329 20 5 BEBDRN C[C@H](OC(=O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000796661126 586109558 /nfs/dbraw/zinc/10/95/58/586109558.db2.gz WNRZIXZIHLZJRJ-LURJTMIESA-N 0 0 245.181 2.464 20 5 BEBDRN C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1C ZINC000800855934 586234507 /nfs/dbraw/zinc/23/45/07/586234507.db2.gz JTSFQZJWVZVRQU-DTORHVGOSA-N 0 0 235.287 2.269 20 5 BEBDRN COCCN(C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804366247 586393078 /nfs/dbraw/zinc/39/30/78/586393078.db2.gz TZYYHPPFUQGUHV-UHFFFAOYSA-N 0 0 244.678 2.331 20 5 BEBDRN CCN(c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000812484760 586578203 /nfs/dbraw/zinc/57/82/03/586578203.db2.gz NXNUEOFRRDBNIJ-LBPRGKRZSA-N 0 0 236.271 2.210 20 5 BEBDRN C[C@@H](COC(=O)CC1CCCCC1)[N+](=O)[O-] ZINC000813101449 586591930 /nfs/dbraw/zinc/59/19/30/586591930.db2.gz AMDDYPUSSHUDBD-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN C[C@H](COC(=O)CC1CCCCC1)[N+](=O)[O-] ZINC000813101448 586592129 /nfs/dbraw/zinc/59/21/29/586592129.db2.gz AMDDYPUSSHUDBD-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN C[C@H](COC(=O)CC1(C)CCCC1)[N+](=O)[O-] ZINC000813104883 586592425 /nfs/dbraw/zinc/59/24/25/586592425.db2.gz SOPBUDQNQKMMDP-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN CCCc1occc1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813106157 586592948 /nfs/dbraw/zinc/59/29/48/586592948.db2.gz ZPRRCWHDTNYMKE-QMMMGPOBSA-N 0 0 241.243 2.054 20 5 BEBDRN C[C@@H](COC(=O)C1CCC(C)(C)CC1)[N+](=O)[O-] ZINC000813108066 586593052 /nfs/dbraw/zinc/59/30/52/586593052.db2.gz UUFYUAYPPRNRNU-VIFPVBQESA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](COC(=O)[C@H](C)c1cccs1)[N+](=O)[O-] ZINC000813109812 586593264 /nfs/dbraw/zinc/59/32/64/586593264.db2.gz PLYMDYBNUJELLK-HTQZYQBOSA-N 0 0 243.284 2.060 20 5 BEBDRN CCCCSCCC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813110475 586593759 /nfs/dbraw/zinc/59/37/59/586593759.db2.gz BLJCRGFZQMXEOR-SECBINFHSA-N 0 0 249.332 2.118 20 5 BEBDRN C[C@H](COC(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813113002 586593831 /nfs/dbraw/zinc/59/38/31/586593831.db2.gz NNZMGRASOCLKCA-SSDOTTSWSA-N 0 0 243.646 2.162 20 5 BEBDRN C[C@@H](COC(=O)[C@@H]1CCCC1(C)C)[N+](=O)[O-] ZINC000813113815 586594116 /nfs/dbraw/zinc/59/41/16/586594116.db2.gz JKSMTCFRYIAMHC-IUCAKERBSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](COC(=O)C[C@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000813115207 586594226 /nfs/dbraw/zinc/59/42/26/586594226.db2.gz MVYVNMRIJHDVDP-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](COC(=O)c1ccc(Cl)s1)[N+](=O)[O-] ZINC000813114994 586594253 /nfs/dbraw/zinc/59/42/53/586594253.db2.gz IQDNEZCVAFRQFC-RXMQYKEDSA-N 0 0 249.675 2.224 20 5 BEBDRN CC(C)C[C@H](C)CC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814040468 586612367 /nfs/dbraw/zinc/61/23/67/586612367.db2.gz HATPORHZCVBOOA-UWVGGRQHSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)CC1CCCC1 ZINC000814040001 586612393 /nfs/dbraw/zinc/61/23/93/586612393.db2.gz AKZSZMNYPZSOKV-UWVGGRQHSA-N 0 0 243.303 2.411 20 5 BEBDRN CCCC(C)(C)CC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814040351 586612430 /nfs/dbraw/zinc/61/24/30/586612430.db2.gz GBFGMXICXZYYJZ-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN C/C(=C\C(=O)O[C@@H](C)C[N+](=O)[O-])c1ccccc1 ZINC000814041197 586612575 /nfs/dbraw/zinc/61/25/75/586612575.db2.gz QEKVQTPONLOROX-UQSGXBNBSA-N 0 0 249.266 2.298 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1CCC(C)(C)CC1 ZINC000814041021 586612605 /nfs/dbraw/zinc/61/26/05/586612605.db2.gz NYAHWPSOTPITMX-SECBINFHSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CCC(C)(C)C ZINC000814044374 586612789 /nfs/dbraw/zinc/61/27/89/586612789.db2.gz FEMPWHXTOYXRMS-QMMMGPOBSA-N 0 0 217.265 2.021 20 5 BEBDRN CC[C@H](CC(=O)O[C@H](C)C[N+](=O)[O-])C(C)C ZINC000814048313 586613228 /nfs/dbraw/zinc/61/32/28/586613228.db2.gz SDFIJLOCFKTKTM-NXEZZACHSA-N 0 0 231.292 2.267 20 5 BEBDRN O=C(OCc1ccccc1[N+](=O)[O-])[C@@H]1CC12CC2 ZINC000817233377 586788728 /nfs/dbraw/zinc/78/87/28/586788728.db2.gz VOYXUEGHJDARRO-JTQLQIEISA-N 0 0 247.250 2.438 20 5 BEBDRN Nc1ccc(NC(=O)CC2CCC2)cc1[N+](=O)[O-] ZINC000819892343 587001106 /nfs/dbraw/zinc/00/11/06/587001106.db2.gz FLDBBLNWBBBNJT-UHFFFAOYSA-N 0 0 249.270 2.306 20 5 BEBDRN CC/C=C(/C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819910677 587002440 /nfs/dbraw/zinc/00/24/40/587002440.db2.gz UQUZOLOKQVWNFX-YWEYNIOJSA-N 0 0 249.270 2.472 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000819960262 587007774 /nfs/dbraw/zinc/00/77/74/587007774.db2.gz AJEHRYYYZWKCGR-DIYOJNKTSA-N 0 0 233.271 2.387 20 5 BEBDRN CCC(CC)CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823124817 587204256 /nfs/dbraw/zinc/20/42/56/587204256.db2.gz RIQSWVGOPGYFJN-UHFFFAOYSA-N 0 0 244.335 2.374 20 5 BEBDRN O=C(OCc1ccccc1[N+](=O)[O-])C12CC(C1)C2 ZINC000860267955 589091540 /nfs/dbraw/zinc/09/15/40/589091540.db2.gz XNHXWJPGXJQVBD-UHFFFAOYSA-N 0 0 247.250 2.438 20 5 BEBDRN Cc1ccc(CNC(=O)C2CCC2)cc1[N+](=O)[O-] ZINC000825655464 587329077 /nfs/dbraw/zinc/32/90/77/587329077.db2.gz ORDGIUPWRAPQGC-UHFFFAOYSA-N 0 0 248.282 2.320 20 5 BEBDRN CC[C@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826813487 587363175 /nfs/dbraw/zinc/36/31/75/587363175.db2.gz VZTLWJKOHHMQKA-JTQLQIEISA-N 0 0 242.319 2.080 20 5 BEBDRN C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1CCC1 ZINC000827353718 587378210 /nfs/dbraw/zinc/37/82/10/587378210.db2.gz HZWVCNCWKLEGPP-VIFPVBQESA-N 0 0 242.319 2.127 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(N2CC[C@@H](F)C2)c(F)c1 ZINC000828448942 587442963 /nfs/dbraw/zinc/44/29/63/587442963.db2.gz NKIIDRPBBOTQBJ-ZCFIWIBFSA-N 0 0 246.188 2.421 20 5 BEBDRN O=[N+]([O-])c1sccc1N1C[C@@H](F)[C@@H](F)C1 ZINC000828754939 587460064 /nfs/dbraw/zinc/46/00/64/587460064.db2.gz HPNRTRKJLBNHAX-OLQVQODUSA-N 0 0 234.227 2.153 20 5 BEBDRN CCc1nc(CNc2cccnc2[N+](=O)[O-])co1 ZINC000829177963 587487014 /nfs/dbraw/zinc/48/70/14/587487014.db2.gz UFJLSBSNJRCQJP-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN C[C@H]1C[C@H]1c1noc(CCC(C)(C)[N+](=O)[O-])n1 ZINC000834620804 587761223 /nfs/dbraw/zinc/76/12/23/587761223.db2.gz WWQKLKCNKBEPBC-JGVFFNPUSA-N 0 0 239.275 2.181 20 5 BEBDRN CNc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000834650664 587762680 /nfs/dbraw/zinc/76/26/80/587762680.db2.gz OYKAFSWLBHMOSS-UHFFFAOYSA-N 0 0 209.249 2.457 20 5 BEBDRN CC[C@@H](C)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835097435 587783149 /nfs/dbraw/zinc/78/31/49/587783149.db2.gz JOWUKFYPHVGHLX-MRVPVSSYSA-N 0 0 217.265 2.164 20 5 BEBDRN CC[C@H](C)COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835269652 587793542 /nfs/dbraw/zinc/79/35/42/587793542.db2.gz HRQORXRXFFWGOD-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN CCC[C@@H]1CCC[C@H]1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000835454420 587803181 /nfs/dbraw/zinc/80/31/81/587803181.db2.gz JMICDMDZGMKDIW-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](COC(=O)[C@H]1CC[C@@H](C)[C@@H](C)C1)[N+](=O)[O-] ZINC000835457090 587803350 /nfs/dbraw/zinc/80/33/50/587803350.db2.gz WTDCAOLBEQFAQO-YTWAJWBKSA-N 0 0 243.303 2.267 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000835466990 587803722 /nfs/dbraw/zinc/80/37/22/587803722.db2.gz MUTKDFZNTVZYBN-UKKRHICBSA-N 0 0 243.303 2.267 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@]1(C)CCC[C@H]1C ZINC000835466883 587803747 /nfs/dbraw/zinc/80/37/47/587803747.db2.gz LUGBOWXKJDUKEF-KKZNHRDASA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C(C)(C)C1CCC1 ZINC000835468090 587803848 /nfs/dbraw/zinc/80/38/48/587803848.db2.gz YHRFIIWQFFIJMP-QMMMGPOBSA-N 0 0 229.276 2.021 20 5 BEBDRN Cc1ccc(COC(=O)C(F)F)cc1[N+](=O)[O-] ZINC000835478446 587804311 /nfs/dbraw/zinc/80/43/11/587804311.db2.gz CLVAOGVICMAYCR-UHFFFAOYSA-N 0 0 245.181 2.212 20 5 BEBDRN C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1C ZINC000841173406 587948332 /nfs/dbraw/zinc/94/83/32/587948332.db2.gz WLUYSTUHNJJLLA-ISUQUUIWSA-N 0 0 241.287 2.020 20 5 BEBDRN CC[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842308084 588015644 /nfs/dbraw/zinc/01/56/44/588015644.db2.gz SWUSNDZLGXESIN-LMLFDSFASA-N 0 0 241.287 2.164 20 5 BEBDRN CC1(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCCC1 ZINC000842323747 588017565 /nfs/dbraw/zinc/01/75/65/588017565.db2.gz YNRROAFFAXGXPV-NXEZZACHSA-N 0 0 241.287 2.165 20 5 BEBDRN CCC[C@@H](C)[C@H](C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842341117 588019352 /nfs/dbraw/zinc/01/93/52/588019352.db2.gz WVNPCZKLUPDCFP-UTINFBMNSA-N 0 0 229.276 2.020 20 5 BEBDRN CC(C)C(COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC000842354273 588021009 /nfs/dbraw/zinc/02/10/09/588021009.db2.gz MMSODTMJISXQQW-MWLCHTKSSA-N 0 0 243.303 2.123 20 5 BEBDRN C[S@@](=O)CCSc1cccc([N+](=O)[O-])c1 ZINC000842571732 588043400 /nfs/dbraw/zinc/04/34/00/588043400.db2.gz OYMPLVLFUTZNJN-OAHLLOKOSA-N 0 0 245.325 2.065 20 5 BEBDRN CNc1ccc([N+](=O)[O-])cc1NC(C)C ZINC000843297981 588098111 /nfs/dbraw/zinc/09/81/11/588098111.db2.gz KCJIWHURAHHYDY-UHFFFAOYSA-N 0 0 209.249 2.457 20 5 BEBDRN CN(C(=O)C1(F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000843523273 588119433 /nfs/dbraw/zinc/11/94/33/588119433.db2.gz YSDNAULKJKXLDG-UHFFFAOYSA-N 0 0 238.218 2.060 20 5 BEBDRN CCCNC(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843752455 588137444 /nfs/dbraw/zinc/13/74/44/588137444.db2.gz RHWYXQVTRSYTHQ-UHFFFAOYSA-N 0 0 240.234 2.182 20 5 BEBDRN C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C(C)(C)C ZINC000844969402 588219878 /nfs/dbraw/zinc/21/98/78/588219878.db2.gz CFJOMUBWCLBANM-SECBINFHSA-N 0 0 244.335 2.373 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC000845752132 588243576 /nfs/dbraw/zinc/24/35/76/588243576.db2.gz KYGXJOZQQMTEFQ-OCAPTIKFSA-N 0 0 240.209 2.296 20 5 BEBDRN CC(=O)O[C@H](c1ccccc1F)[C@@H](C)[N+](=O)[O-] ZINC000845872512 588249356 /nfs/dbraw/zinc/24/93/56/588249356.db2.gz ISNNYTLHRUNGST-HQJQHLMTSA-N 0 0 241.218 2.095 20 5 BEBDRN CC(=O)OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006262462 588349132 /nfs/dbraw/zinc/34/91/32/588349132.db2.gz MBEPXGBWUVJZJT-UHFFFAOYSA-N 0 0 229.619 2.311 20 5 BEBDRN C[C@H]1C[C@H]1C(N)=NOCc1ccc([N+](=O)[O-])cc1 ZINC000848514401 588388812 /nfs/dbraw/zinc/38/88/12/588388812.db2.gz NOYMBLSHUQXKPX-GZMMTYOYSA-N 0 0 249.270 2.249 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(F)c1NCC[C@H](C)O ZINC000849316542 588471844 /nfs/dbraw/zinc/47/18/44/588471844.db2.gz GPVRCXBGHRZIJN-ZETCQYMHSA-N 0 0 242.250 2.225 20 5 BEBDRN O=C(CCCF)OCc1ccccc1[N+](=O)[O-] ZINC000850190730 588525294 /nfs/dbraw/zinc/52/52/94/588525294.db2.gz LGXPLILLEDKGSL-UHFFFAOYSA-N 0 0 241.218 2.388 20 5 BEBDRN CCCC[C@](C)(F)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000851035948 588585505 /nfs/dbraw/zinc/58/55/05/588585505.db2.gz ACPPUAZBWHKFEB-SCZZXKLOSA-N 0 0 235.255 2.113 20 5 BEBDRN CC1=CC[C@@](C)(C(=O)OC[C@H](C)[N+](=O)[O-])CC1 ZINC000851036564 588585541 /nfs/dbraw/zinc/58/55/41/588585541.db2.gz KLGUPGAWLRVFRC-CMPLNLGQSA-N 0 0 241.287 2.331 20 5 BEBDRN CCCC[C@](C)(F)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000851044236 588586591 /nfs/dbraw/zinc/58/65/91/588586591.db2.gz CEUGOEWYGVYKPJ-SCZZXKLOSA-N 0 0 235.255 2.113 20 5 BEBDRN C[C@H]1CC[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851127779 588592539 /nfs/dbraw/zinc/59/25/39/588592539.db2.gz VWNFXFPBDQZPNY-DTWKUNHWSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H]1CCC[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851125939 588592561 /nfs/dbraw/zinc/59/25/61/588592561.db2.gz IYLWPEKOLQHSJD-ZJUUUORDSA-N 0 0 243.303 2.411 20 5 BEBDRN CCC(C)(C)CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851126467 588592615 /nfs/dbraw/zinc/59/26/15/588592615.db2.gz PNUGBFUUMUVFLN-UHFFFAOYSA-N 0 0 231.292 2.411 20 5 BEBDRN CCC[C@@H](C)CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127061 588592711 /nfs/dbraw/zinc/59/27/11/588592711.db2.gz YQECVWFQPHYSRA-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN CC(C)(C)/C=C\C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127093 588592782 /nfs/dbraw/zinc/59/27/82/588592782.db2.gz SLXNNLLRFSNIII-SREVYHEPSA-N 0 0 229.276 2.187 20 5 BEBDRN CC[C@@H](C)CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128343 588593115 /nfs/dbraw/zinc/59/31/15/588593115.db2.gz RSYMEIMHTBICCR-MRVPVSSYSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@H]1CC[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])CC1 ZINC000851130596 588593329 /nfs/dbraw/zinc/59/33/29/588593329.db2.gz XEYCHBOJISHXBU-MGCOHNPYSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)(COC(=O)[C@@H]1CCC[C@H]2C[C@H]21)[N+](=O)[O-] ZINC000851129930 588593385 /nfs/dbraw/zinc/59/33/85/588593385.db2.gz MYMOZGSGRPFJCB-IVZWLZJFSA-N 0 0 241.287 2.021 20 5 BEBDRN C[C@H]1CCCC[C@@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851129996 588593420 /nfs/dbraw/zinc/59/34/20/588593420.db2.gz TXHYDTMNPBMMJI-UWVGGRQHSA-N 0 0 243.303 2.411 20 5 BEBDRN CCCC[C@H](C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851130220 588593532 /nfs/dbraw/zinc/59/35/32/588593532.db2.gz SWTQSHSMUURUDA-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN CCN(Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000851733086 588619904 /nfs/dbraw/zinc/61/99/04/588619904.db2.gz JLTHNIYJWYVCRF-UHFFFAOYSA-N 0 0 227.264 2.122 20 5 BEBDRN C[C@@H](C(=O)OCCC[N+](=O)[O-])c1ccsc1 ZINC000860914754 589131244 /nfs/dbraw/zinc/13/12/44/589131244.db2.gz FUFPVIZXDHVZRI-MRVPVSSYSA-N 0 0 243.284 2.062 20 5 BEBDRN C[C@H](C(=O)OCCC[N+](=O)[O-])c1cccs1 ZINC000860914986 589131495 /nfs/dbraw/zinc/13/14/95/589131495.db2.gz NFPDQVYPXKQJAC-QMMMGPOBSA-N 0 0 243.284 2.062 20 5 BEBDRN C[C@@H]1CCC[C@H](CC(=O)OCCC[N+](=O)[O-])C1 ZINC000860915835 589131646 /nfs/dbraw/zinc/13/16/46/589131646.db2.gz JPUVJOQUQGTEAB-MNOVXSKESA-N 0 0 243.303 2.413 20 5 BEBDRN CCC(CC)[C@@H](C)C(=O)OCCC[N+](=O)[O-] ZINC000860917427 589131777 /nfs/dbraw/zinc/13/17/77/589131777.db2.gz LMFWTXGWJTZNQI-SECBINFHSA-N 0 0 231.292 2.269 20 5 BEBDRN CC(C(=O)OCCC[N+](=O)[O-])=C1CCCC1 ZINC000860917960 589131816 /nfs/dbraw/zinc/13/18/16/589131816.db2.gz WSRLYIOWTIGPPD-UHFFFAOYSA-N 0 0 227.260 2.087 20 5 BEBDRN C/C(=C/C(=O)OCCC[N+](=O)[O-])C(C)(C)C ZINC000860918158 589131849 /nfs/dbraw/zinc/13/18/49/589131849.db2.gz ZEJOMNXQMIIAPL-HJWRWDBZSA-N 0 0 229.276 2.189 20 5 BEBDRN CCCC(C)(C)C(=O)OCCC[N+](=O)[O-] ZINC000860918942 589132129 /nfs/dbraw/zinc/13/21/29/589132129.db2.gz IACRZGGPYKYHOT-UHFFFAOYSA-N 0 0 217.265 2.023 20 5 BEBDRN CC[C@H]1CCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860918598 589132253 /nfs/dbraw/zinc/13/22/53/589132253.db2.gz MWKYHNCWMRQXNM-VHSXEESVSA-N 0 0 229.276 2.023 20 5 BEBDRN CC1=C(C)C[C@@H](C(=O)OCCC[N+](=O)[O-])CC1 ZINC000860919836 589132294 /nfs/dbraw/zinc/13/22/94/589132294.db2.gz XGBUUMXQJDBLTP-NSHDSACASA-N 0 0 241.287 2.333 20 5 BEBDRN CC[C@@H]1CCCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860920832 589132587 /nfs/dbraw/zinc/13/25/87/589132587.db2.gz JLCSEWMLJUBQGN-GHMZBOCLSA-N 0 0 243.303 2.413 20 5 BEBDRN C[C@H]1CC(C(=O)OCCC[N+](=O)[O-])C[C@H](C)C1 ZINC000860920068 589132593 /nfs/dbraw/zinc/13/25/93/589132593.db2.gz RDITURXXZDYJPS-NXEZZACHSA-N 0 0 243.303 2.269 20 5 BEBDRN CCCC[C@H](C)C(=O)OCCC[N+](=O)[O-] ZINC000860921565 589132595 /nfs/dbraw/zinc/13/25/95/589132595.db2.gz WSHDSZHNKBTRSB-VIFPVBQESA-N 0 0 217.265 2.023 20 5 BEBDRN C[C@H]1CCC[C@H]1CC(=O)OCCC[N+](=O)[O-] ZINC000860921095 589132611 /nfs/dbraw/zinc/13/26/11/589132611.db2.gz NCXXRBIGTLZMCK-UWVGGRQHSA-N 0 0 229.276 2.023 20 5 BEBDRN CCC[C@@](C)(CC)C(=O)OCCC[N+](=O)[O-] ZINC000860920600 589132670 /nfs/dbraw/zinc/13/26/70/589132670.db2.gz DMGOKEAQBZGQDB-LLVKDONJSA-N 0 0 231.292 2.413 20 5 BEBDRN O=C(Oc1cccc([N+](=O)[O-])c1)C1CC=CC1 ZINC000119363126 589275225 /nfs/dbraw/zinc/27/52/25/589275225.db2.gz CUHPJIJVKOCGGK-UHFFFAOYSA-N 0 0 233.223 2.466 20 5 BEBDRN CCCOCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000863331504 589280647 /nfs/dbraw/zinc/28/06/47/589280647.db2.gz NJCNUXBETKBXKK-UHFFFAOYSA-N 0 0 246.650 2.406 20 5 BEBDRN Cc1nn(CCC(F)(F)Cl)cc1[N+](=O)[O-] ZINC000863335504 589280658 /nfs/dbraw/zinc/28/06/58/589280658.db2.gz JQMTUCUGKLCXHB-UHFFFAOYSA-N 0 0 239.609 2.321 20 5 BEBDRN O=[N+]([O-])c1cnn(C[C@@H]2CCCCC2(F)F)n1 ZINC000863371631 589284499 /nfs/dbraw/zinc/28/44/99/589284499.db2.gz QATOEHLTGDGUNO-ZETCQYMHSA-N 0 0 246.217 2.012 20 5 BEBDRN C[C@@H]1C[C@@H]1COc1ccc(N)c([N+](=O)[O-])c1 ZINC000863456068 589289316 /nfs/dbraw/zinc/28/93/16/589289316.db2.gz FTBDAISQBHJZOJ-HTQZYQBOSA-N 0 0 222.244 2.212 20 5 BEBDRN C[C@H](Cn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000865341752 589420956 /nfs/dbraw/zinc/42/09/56/589420956.db2.gz YLLUDYLLPSUFRT-SECBINFHSA-N 0 0 238.287 2.439 20 5 BEBDRN C[C@H](Cn1cnc([N+](=O)[O-])c1)C(C)(C)C ZINC000865351252 589424181 /nfs/dbraw/zinc/42/41/81/589424181.db2.gz YRRHNQZCPCINAM-MRVPVSSYSA-N 0 0 211.265 2.474 20 5 BEBDRN O=[N+]([O-])c1ccnn1CC1CC2(CCC2)C1 ZINC000865354635 589424452 /nfs/dbraw/zinc/42/44/52/589424452.db2.gz UFNOFCWEYGTLCJ-UHFFFAOYSA-N 0 0 221.260 2.372 20 5 BEBDRN CC1=NO[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000865850761 589464939 /nfs/dbraw/zinc/46/49/39/589464939.db2.gz YGVDZIDCNZXPNE-ZETCQYMHSA-N 0 0 241.272 2.233 20 5 BEBDRN Cc1n[nH]cc1CN(C)c1ccc([N+](=O)[O-])cc1 ZINC000865901100 589467613 /nfs/dbraw/zinc/46/76/13/589467613.db2.gz LPFODUFMGWWYRG-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN CS[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000866103177 589476370 /nfs/dbraw/zinc/47/63/70/589476370.db2.gz YRPPVYIPAOPYPG-KYZUINATSA-N 0 0 239.300 2.296 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1cscc1Cl ZINC000870385232 589661032 /nfs/dbraw/zinc/66/10/32/589661032.db2.gz IQUNOAHRLVXKDH-YFKPBYRVSA-N 0 0 249.675 2.224 20 5 BEBDRN CC(C)(C)SCn1nccc1[N+](=O)[O-] ZINC000871648011 589781731 /nfs/dbraw/zinc/78/17/31/589781731.db2.gz BIOZILYVMDFNHZ-UHFFFAOYSA-N 0 0 215.278 2.281 20 5 BEBDRN CC(C)(C)SCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000871654601 589782458 /nfs/dbraw/zinc/78/24/58/589782458.db2.gz ATYWEWQMRLGKPN-UHFFFAOYSA-N 0 0 242.300 2.246 20 5 BEBDRN Cc1nn(C2CC(CF)(CF)C2)cc1[N+](=O)[O-] ZINC000871670806 589787547 /nfs/dbraw/zinc/78/75/47/589787547.db2.gz DEZLGMIVQFOSJP-UHFFFAOYSA-N 0 0 245.229 2.360 20 5 BEBDRN Cc1nonc1CNc1cccc(C)c1[N+](=O)[O-] ZINC000872777916 589969054 /nfs/dbraw/zinc/96/90/54/589969054.db2.gz UBNQAHANVJSSDE-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CCC[C@@H](CC)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000873532874 590054677 /nfs/dbraw/zinc/05/46/77/590054677.db2.gz ORMZFLNLPQXFAC-RKDXNWHRSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@H](OC(=O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000873560800 590059027 /nfs/dbraw/zinc/05/90/27/590059027.db2.gz YGZWDGVLYVVDAM-LURJTMIESA-N 0 0 245.181 2.464 20 5 BEBDRN O=C(OCCF)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000125889297 590196382 /nfs/dbraw/zinc/19/63/82/590196382.db2.gz VUKTUYKDMAKFJF-UHFFFAOYSA-N 0 0 247.609 2.375 20 5 BEBDRN Cc1c(CN2CC(F)C2)cccc1[N+](=O)[O-] ZINC000877307695 590311470 /nfs/dbraw/zinc/31/14/70/590311470.db2.gz KHQQHCJRQBNANU-UHFFFAOYSA-N 0 0 224.235 2.057 20 5 BEBDRN COC[C@@H](Cn1cc(C)c([N+](=O)[O-])n1)C(C)C ZINC000877882093 590436589 /nfs/dbraw/zinc/43/65/89/590436589.db2.gz VOUDPLGYHOULHV-SNVBAGLBSA-N 0 0 241.291 2.018 20 5 BEBDRN O=[N+]([O-])c1cnn(CCSC(F)(F)F)c1 ZINC000877879403 590436616 /nfs/dbraw/zinc/43/66/16/590436616.db2.gz BIZVOKLVZSCOOW-UHFFFAOYSA-N 0 0 241.194 2.044 20 5 BEBDRN C=C/C=C\CCn1c(C)c([N+](=O)[O-])ccc1=O ZINC000877890155 590440730 /nfs/dbraw/zinc/44/07/30/590440730.db2.gz DOUBAPBKOFJJIT-PLNGDYQASA-N 0 0 234.255 2.197 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)CCN2CC1CC1 ZINC000127617245 590723939 /nfs/dbraw/zinc/72/39/39/590723939.db2.gz JUKCQRVJKHRKAW-UHFFFAOYSA-N 0 0 218.256 2.367 20 5 BEBDRN O=[N+]([O-])c1cc(CN2CC[C@H](CF)C2)cs1 ZINC000880295934 590990838 /nfs/dbraw/zinc/99/08/38/590990838.db2.gz QAVZQLYHMGQFPK-MRVPVSSYSA-N 0 0 244.291 2.448 20 5 BEBDRN O=C(NC[C@@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000881489646 591214620 /nfs/dbraw/zinc/21/46/20/591214620.db2.gz BQOPKIQZRXDTGF-SNVBAGLBSA-N 0 0 246.266 2.291 20 5 BEBDRN CC(C)[C@H](O)CCOc1ccccc1[N+](=O)[O-] ZINC000882035483 591290005 /nfs/dbraw/zinc/29/00/05/591290005.db2.gz JWINSFCHKIEBLL-LLVKDONJSA-N 0 0 239.271 2.381 20 5 BEBDRN CC(C)[C@H](O)CCOc1cccc([N+](=O)[O-])c1 ZINC000882035315 591290335 /nfs/dbraw/zinc/29/03/35/591290335.db2.gz HLYYVZXDAHUPPS-GFCCVEGCSA-N 0 0 239.271 2.381 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1N1CCC[C@@H]2C[C@@H]21 ZINC000882350212 591336678 /nfs/dbraw/zinc/33/66/78/591336678.db2.gz IQYPPQDRWFVHHQ-APPZFPTMSA-N 0 0 237.234 2.118 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1NCCCCF ZINC000882388657 591341520 /nfs/dbraw/zinc/34/15/20/591341520.db2.gz POSTVKJFJFIQJA-UHFFFAOYSA-N 0 0 231.202 2.291 20 5 BEBDRN C[C@@H](F)CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000882399805 591342646 /nfs/dbraw/zinc/34/26/46/591342646.db2.gz BFGREYAYVQGWFD-ZCFIWIBFSA-N 0 0 231.202 2.289 20 5 BEBDRN C[C@H](F)CCNc1ccnc(F)c1[N+](=O)[O-] ZINC000882399799 591342735 /nfs/dbraw/zinc/34/27/35/591342735.db2.gz BFGREYAYVQGWFD-LURJTMIESA-N 0 0 231.202 2.289 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1N[C@@H]1C=CCC1 ZINC000882602925 591397293 /nfs/dbraw/zinc/39/72/93/591397293.db2.gz ZZNWMCMHPRUVMN-SSDOTTSWSA-N 0 0 223.207 2.259 20 5 BEBDRN C[C@H](O)CSc1c(F)cc([N+](=O)[O-])cc1F ZINC000882737895 591423736 /nfs/dbraw/zinc/42/37/36/591423736.db2.gz AWOOUUZQLDRGDJ-YFKPBYRVSA-N 0 0 249.238 2.346 20 5 BEBDRN C[C@@H](O)CSc1c(Cl)cncc1[N+](=O)[O-] ZINC000882737799 591424950 /nfs/dbraw/zinc/42/49/50/591424950.db2.gz XGMSOQLATHLHNK-RXMQYKEDSA-N 0 0 248.691 2.116 20 5 BEBDRN CO[C@H]1C[C@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000882798394 591442831 /nfs/dbraw/zinc/44/28/31/591442831.db2.gz JJMVKDLPBTYZTJ-ZKCHVHJHSA-N 0 0 242.300 2.493 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC(F)CC2)c(F)c1 ZINC000882805271 591444808 /nfs/dbraw/zinc/44/48/08/591444808.db2.gz WQVLHFKAVNOYJG-UHFFFAOYSA-N 0 0 243.213 2.067 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](CF)C2)n1 ZINC000882841231 591452199 /nfs/dbraw/zinc/45/21/99/591452199.db2.gz PVQZQLNWGXHWSV-VIFPVBQESA-N 0 0 239.250 2.094 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2C[C@@H]2C1 ZINC000884589008 591986376 /nfs/dbraw/zinc/98/63/76/591986376.db2.gz REFPEKDFZDOGDP-KNVOCYPGSA-N 0 0 239.662 2.099 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1N1C[C@@H]2C[C@@H]2C1 ZINC000884591664 591990543 /nfs/dbraw/zinc/99/05/43/591990543.db2.gz WSTUELZGEHRYTM-DTORHVGOSA-N 0 0 234.255 2.060 20 5 BEBDRN O=[N+]([O-])c1ncccc1CN(C1CC1)C1CC1 ZINC000886297630 592202571 /nfs/dbraw/zinc/20/25/71/592202571.db2.gz WNBICVUYADYKJL-UHFFFAOYSA-N 0 0 233.271 2.117 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2ncc[nH]2)n1 ZINC000139917092 592438852 /nfs/dbraw/zinc/43/88/52/592438852.db2.gz LSGBHEGRXKWTKV-MRVPVSSYSA-N 0 0 247.258 2.194 20 5 BEBDRN CC[C@H](O)CCNc1c(C)cccc1[N+](=O)[O-] ZINC000127229978 592511853 /nfs/dbraw/zinc/51/18/53/592511853.db2.gz HDQMTGPXJVRYEF-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@H](O)CCNc1ccc([N+](=O)[O-])cc1F ZINC000127229032 592512069 /nfs/dbraw/zinc/51/20/69/592512069.db2.gz HOBBHKNCQXZRNX-VIFPVBQESA-N 0 0 242.250 2.307 20 5 BEBDRN CN(CCCO)c1ccc([N+](=O)[O-])cc1Cl ZINC000300807878 592521398 /nfs/dbraw/zinc/52/13/98/592521398.db2.gz KJEJLFIXTPYKNU-UHFFFAOYSA-N 0 0 244.678 2.067 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)C)c1C ZINC000887574373 592528141 /nfs/dbraw/zinc/52/81/41/592528141.db2.gz DLPIYNKPEAPIDQ-UHFFFAOYSA-N 0 0 236.271 2.350 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCCO)c(C(F)F)c1 ZINC000111289982 634529302 /nfs/dbraw/zinc/52/93/02/634529302.db2.gz QUTZISRMABUMQY-UHFFFAOYSA-N 0 0 246.213 2.327 20 5 BEBDRN C[C@@H]1CCCC[C@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000891442801 631302925 /nfs/dbraw/zinc/30/29/25/631302925.db2.gz UTEAOVAFRANFHI-RKDXNWHRSA-N 0 0 238.291 2.319 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000060756536 631488726 /nfs/dbraw/zinc/48/87/26/631488726.db2.gz HNBBINZHHHEZLB-GZMMTYOYSA-N 0 0 235.239 2.294 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N1CC[C@@H](F)C1 ZINC000309566319 632533585 /nfs/dbraw/zinc/53/35/85/632533585.db2.gz SYXNOIVECTXWJB-SECBINFHSA-N 0 0 224.235 2.451 20 5 BEBDRN O=Cc1c[nH]nc1C=Cc1csc([N+](=O)[O-])c1 ZINC000255637085 632670709 /nfs/dbraw/zinc/67/07/09/632670709.db2.gz JARXQVMXHYLXRM-UPHRSURJSA-N 0 0 249.251 2.362 20 5 BEBDRN C[C@@H](O)CCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000310309916 632718191 /nfs/dbraw/zinc/71/81/91/632718191.db2.gz DNJYEDVRSSISGB-MRVPVSSYSA-N 0 0 243.234 2.274 20 5 BEBDRN C[C@H](O)CNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000235555611 632783623 /nfs/dbraw/zinc/78/36/23/632783623.db2.gz SVMXRARFUKLENG-YFKPBYRVSA-N 0 0 248.641 2.180 20 5 BEBDRN CC[C@@H](C)OC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000048265634 635823040 /nfs/dbraw/zinc/82/30/40/635823040.db2.gz QVVLSSNYCPTFIB-SSDOTTSWSA-N 0 0 238.243 2.132 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000066275674 632865772 /nfs/dbraw/zinc/86/57/72/632865772.db2.gz HNBBINZHHHEZLB-KWQFWETISA-N 0 0 235.239 2.294 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000066275715 632867308 /nfs/dbraw/zinc/86/73/08/632867308.db2.gz KIKMIBDRFKZCOV-KCJUWKMLSA-N 0 0 235.239 2.294 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1NCCCO ZINC000236495626 632949570 /nfs/dbraw/zinc/94/95/70/632949570.db2.gz OHMMEKPRQATWEM-UHFFFAOYSA-N 0 0 248.641 2.182 20 5 BEBDRN CC[C@H](N)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000035697433 633991661 /nfs/dbraw/zinc/99/16/61/633991661.db2.gz KAMOTUPWYRFZAE-VIFPVBQESA-N 0 0 248.242 2.055 20 5 BEBDRN Nc1ccc(NCCC2CCC2)nc1[N+](=O)[O-] ZINC000310141014 634078732 /nfs/dbraw/zinc/07/87/32/634078732.db2.gz NAHNQDATCANINP-UHFFFAOYSA-N 0 0 236.275 2.174 20 5 BEBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)NC1CC1 ZINC000236153337 635595775 /nfs/dbraw/zinc/59/57/75/635595775.db2.gz WOZIANCRHHGKQL-UHFFFAOYSA-N 0 0 239.206 2.018 20 5 BEBDRN CCOCOc1cc(F)ccc1[N+](=O)[O-] ZINC000087543460 636121787 /nfs/dbraw/zinc/12/17/87/636121787.db2.gz OYIDUDAFETVZLJ-UHFFFAOYSA-N 0 0 215.180 2.107 20 5 BEBDRN CC(C)C(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000728990574 636445705 /nfs/dbraw/zinc/44/57/05/636445705.db2.gz HUWCVTBPOHKVFO-UHFFFAOYSA-N 0 0 241.218 2.433 20 5 BEBDRN CC[C@@H](N)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000035697435 636697934 /nfs/dbraw/zinc/69/79/34/636697934.db2.gz KAMOTUPWYRFZAE-SECBINFHSA-N 0 0 248.242 2.055 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NC/C=C\Cl ZINC000897503393 636728186 /nfs/dbraw/zinc/72/81/86/636728186.db2.gz NIZPBLRFZWLFNB-PLNGDYQASA-N 0 0 244.682 2.284 20 5 BEBDRN O=[N+]([O-])CCN1CCC[C@@H]1c1ccc(F)cc1 ZINC000929160261 636862038 /nfs/dbraw/zinc/86/20/38/636862038.db2.gz DPZQIOZIZZDHOJ-GFCCVEGCSA-N 0 0 238.262 2.239 20 5 BEBDRN Cc1ccc(SCC[N+](=O)[O-])s1 ZINC000901576384 637267024 /nfs/dbraw/zinc/26/70/24/637267024.db2.gz WUXREFXJIOXPHE-UHFFFAOYSA-N 0 0 203.288 2.425 20 5 BEBDRN CC(C)c1nccn1Cc1cccnc1[N+](=O)[O-] ZINC000902310127 637293411 /nfs/dbraw/zinc/29/34/11/637293411.db2.gz IITRNFHMCDEKLW-UHFFFAOYSA-N 0 0 246.270 2.358 20 5 BEBDRN COc1cc([C@@H](C)NCCF)cc([N+](=O)[O-])c1 ZINC000903168539 637353559 /nfs/dbraw/zinc/35/35/59/637353559.db2.gz XCPYCSIKJWFYBL-MRVPVSSYSA-N 0 0 242.250 2.224 20 5 BEBDRN CCCOc1ccc(NCC[N+](=O)[O-])c(C)c1 ZINC000905311815 637741012 /nfs/dbraw/zinc/74/10/12/637741012.db2.gz AAZZVMLLTPIIGB-UHFFFAOYSA-N 0 0 238.287 2.472 20 5 BEBDRN CCOc1cc(NCC[N+](=O)[O-])ccc1C ZINC000905311948 637741987 /nfs/dbraw/zinc/74/19/87/637741987.db2.gz DNCDQYLWSXXAIW-UHFFFAOYSA-N 0 0 224.260 2.082 20 5 BEBDRN CSCc1ccc(NCC[N+](=O)[O-])cc1 ZINC000905316512 637743288 /nfs/dbraw/zinc/74/32/88/637743288.db2.gz YPTYQUFZPIHABO-UHFFFAOYSA-N 0 0 226.301 2.238 20 5 BEBDRN CO[C@H](C)c1cccc(NCC[N+](=O)[O-])c1 ZINC000905315319 637743496 /nfs/dbraw/zinc/74/34/96/637743496.db2.gz VJWISVONKHSFHX-SECBINFHSA-N 0 0 224.260 2.083 20 5 BEBDRN Cc1cc2cc(NCC[N+](=O)[O-])ccc2[nH]1 ZINC000905304310 637762689 /nfs/dbraw/zinc/76/26/89/637762689.db2.gz ONEHOGQTSYLYJO-UHFFFAOYSA-N 0 0 219.244 2.165 20 5 BEBDRN CCCc1ccc(NCC[N+](=O)[O-])cc1 ZINC000905301858 637762719 /nfs/dbraw/zinc/76/27/19/637762719.db2.gz WSSQLFCEHZKHCS-UHFFFAOYSA-N 0 0 208.261 2.328 20 5 BEBDRN CC(C)COc1cccc(NCC[N+](=O)[O-])c1 ZINC000905306871 637764658 /nfs/dbraw/zinc/76/46/58/637764658.db2.gz ARJKTMHCBQUUCI-UHFFFAOYSA-N 0 0 238.287 2.410 20 5 BEBDRN CCOc1cc(C)ccc1NCC[N+](=O)[O-] ZINC000905307726 637765531 /nfs/dbraw/zinc/76/55/31/637765531.db2.gz HYYPKHXNLPRXSB-UHFFFAOYSA-N 0 0 224.260 2.082 20 5 BEBDRN CCCOc1ccc(NCC[N+](=O)[O-])cc1C ZINC000905396481 637808182 /nfs/dbraw/zinc/80/81/82/637808182.db2.gz ADPOXOQDVWTWCW-UHFFFAOYSA-N 0 0 238.287 2.472 20 5 BEBDRN CSc1ccccc1[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC000930322759 639704388 /nfs/dbraw/zinc/70/43/88/639704388.db2.gz BLUQRPYXSLBWPI-VIFPVBQESA-N 0 0 240.328 2.336 20 5 BEBDRN Cc1cccc(CN(C)CC[N+](=O)[O-])c1C ZINC000930537825 639806264 /nfs/dbraw/zinc/80/62/64/639806264.db2.gz GOMGXUXHFUXNMK-UHFFFAOYSA-N 0 0 222.288 2.012 20 5 BEBDRN O=[N+]([O-])CCNC1(c2ccccc2Cl)CC1 ZINC000930814597 639915416 /nfs/dbraw/zinc/91/54/16/639915416.db2.gz NIKZDAFYQGDKTK-UHFFFAOYSA-N 0 0 240.690 2.195 20 5 BEBDRN CCC[C@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000912464242 640071126 /nfs/dbraw/zinc/07/11/26/640071126.db2.gz QVIDWDAUXCQXJS-VIFPVBQESA-N 0 0 236.275 2.154 20 5 BEBDRN CC[C@@H](C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000029161371 640182172 /nfs/dbraw/zinc/18/21/72/640182172.db2.gz WDFROKUPGOHBAL-MRVPVSSYSA-N 0 0 234.259 2.453 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000151182805 640331947 /nfs/dbraw/zinc/33/19/47/640331947.db2.gz ASWVEEFNGSZDMV-GXSJLCMTSA-N 0 0 249.266 2.337 20 5 BEBDRN CCCCOC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000058632942 640725555 /nfs/dbraw/zinc/72/55/55/640725555.db2.gz CJOMDLYWDZIHQX-UHFFFAOYSA-N 0 0 238.243 2.134 20 5 BEBDRN CC1(CNc2ccc(F)c([N+](=O)[O-])c2)COC1 ZINC000227522708 640837320 /nfs/dbraw/zinc/83/73/20/640837320.db2.gz KZMBEXSNAMOBNH-UHFFFAOYSA-N 0 0 240.234 2.182 20 5 BEBDRN C[C@@H]1C[C@H]1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000063246703 641149145 /nfs/dbraw/zinc/14/91/45/641149145.db2.gz SHGRKALCECIQTG-BDAKNGLRSA-N 0 0 235.239 2.408 20 5 BEBDRN Nc1ccc(NCc2cccnc2)c([N+](=O)[O-])c1 ZINC000071558804 641170368 /nfs/dbraw/zinc/17/03/68/641170368.db2.gz DFIOJIYHCPQRLJ-UHFFFAOYSA-N 0 0 244.254 2.184 20 5 BEBDRN Nc1ccc(NCc2ccccn2)c([N+](=O)[O-])c1 ZINC000071558803 641170541 /nfs/dbraw/zinc/17/05/41/641170541.db2.gz ZDIUDKGJLUFNSM-UHFFFAOYSA-N 0 0 244.254 2.184 20 5 BEBDRN O=[N+]([O-])c1cn(C2CC3(CCC3)C2)cn1 ZINC000916559152 641947493 /nfs/dbraw/zinc/94/74/93/641947493.db2.gz ZTTJUPDHGCUOAH-UHFFFAOYSA-N 0 0 207.233 2.297 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCCc1cccnc1 ZINC000916773797 641976524 /nfs/dbraw/zinc/97/65/24/641976524.db2.gz ZRLCCPLBYUXIHD-UHFFFAOYSA-N 0 0 246.270 2.128 20 5 BEBDRN CC[C@@H]1C[C@H]1Cn1c(C)ncc1[N+](=O)[O-] ZINC000916773775 641977462 /nfs/dbraw/zinc/97/74/62/641977462.db2.gz ZKUHNSNWBFBKLJ-BDAKNGLRSA-N 0 0 209.249 2.146 20 5 BEBDRN CC[C@@H]1C[C@H]1Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000917220310 642030168 /nfs/dbraw/zinc/03/01/68/642030168.db2.gz BVNGZUNXZQIMTI-ZJUUUORDSA-N 0 0 236.271 2.111 20 5 BEBDRN O=[N+]([O-])c1ccc(SCCOC2CC2)nc1 ZINC000917347523 642044667 /nfs/dbraw/zinc/04/46/67/642044667.db2.gz SGGPENAECHKHHB-UHFFFAOYSA-N 0 0 240.284 2.261 20 5 BEBDRN C[C@@H](N(C)Cn1nccc1[N+](=O)[O-])C(C)(C)C ZINC000917429177 642061575 /nfs/dbraw/zinc/06/15/75/642061575.db2.gz QBOLQWZNLARULK-SECBINFHSA-N 0 0 240.307 2.115 20 5 BEBDRN COc1ccc(CCn2ccnc2[N+](=O)[O-])cc1 ZINC000918342711 642185433 /nfs/dbraw/zinc/18/54/33/642185433.db2.gz FOOYWCNPOQWLSA-UHFFFAOYSA-N 0 0 247.254 2.043 20 5 BEBDRN CC1(C)CCC[C@H](Cn2ccnc2[N+](=O)[O-])O1 ZINC000918397065 642192953 /nfs/dbraw/zinc/19/29/53/642192953.db2.gz VAGHIOKFQAGPEK-SECBINFHSA-N 0 0 239.275 2.139 20 5 BEBDRN O=[N+]([O-])c1nccn1CCC(F)=C(F)F ZINC000918385359 642193681 /nfs/dbraw/zinc/19/36/81/642193681.db2.gz AMWYUNUQWPGYMR-UHFFFAOYSA-N 0 0 221.138 2.259 20 5 BEBDRN CC[C@H](CC(F)F)Cn1ccnc1[N+](=O)[O-] ZINC000918385360 642194535 /nfs/dbraw/zinc/19/45/35/642194535.db2.gz AOKMAGRNIIQJES-SSDOTTSWSA-N 0 0 233.218 2.473 20 5 BEBDRN O=C(OCc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000918859659 642276510 /nfs/dbraw/zinc/27/65/10/642276510.db2.gz CBIZLWRJYADSBG-UHFFFAOYSA-N 0 0 239.202 2.187 20 5 BEBDRN O=C(CC1CC1)OCc1csc([N+](=O)[O-])c1 ZINC000919088478 642300076 /nfs/dbraw/zinc/30/00/76/642300076.db2.gz YQYBKTNZWAPJMH-UHFFFAOYSA-N 0 0 241.268 2.500 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H](F)C2)cc1 ZINC000238548850 642349321 /nfs/dbraw/zinc/34/93/21/642349321.db2.gz OAOYKDFLDZXVEX-QMMMGPOBSA-N 0 0 210.208 2.143 20 5 BEBDRN C[C@H]1CCN1c1ccc([N+](=O)[O-])cc1F ZINC000920057050 642426654 /nfs/dbraw/zinc/42/66/54/642426654.db2.gz HSASHAJPHHIRQX-ZETCQYMHSA-N 0 0 210.208 2.333 20 5 BEBDRN CC1(C(=O)OCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000157604676 643170493 /nfs/dbraw/zinc/17/04/93/643170493.db2.gz KNTKNXCZLFWTGF-UHFFFAOYSA-N 0 0 235.239 2.438 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC[C@@H](O)C(C)C)c1 ZINC000306055168 643286339 /nfs/dbraw/zinc/28/63/39/643286339.db2.gz VBJCDCQIKSVJFE-LLVKDONJSA-N 0 0 239.271 2.299 20 5 BEBDRN C[C@H]1CCCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860918951 643357412 /nfs/dbraw/zinc/35/74/12/643357412.db2.gz ILRKHPRLSVRSPC-VHSXEESVSA-N 0 0 229.276 2.023 20 5 BEBDRN CC[C@H]1CCCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860920835 643359373 /nfs/dbraw/zinc/35/93/73/643359373.db2.gz JLCSEWMLJUBQGN-WDEREUQCSA-N 0 0 243.303 2.413 20 5 BEBDRN CC[C@H]1CCCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860920834 643359960 /nfs/dbraw/zinc/35/99/60/643359960.db2.gz JLCSEWMLJUBQGN-QWRGUYRKSA-N 0 0 243.303 2.413 20 5 BEBDRN COC(OC)[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000079615303 643889767 /nfs/dbraw/zinc/88/97/67/643889767.db2.gz CKOVIUHUQWDDBL-QMMMGPOBSA-N 0 0 240.259 2.014 20 5 BEBDRN O=C(CCc1cccc([N+](=O)[O-])c1)OCCF ZINC000088815367 644530946 /nfs/dbraw/zinc/53/09/46/644530946.db2.gz MBOKUILBBRTFEY-UHFFFAOYSA-N 0 0 241.218 2.040 20 5 BEBDRN O=C(OCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000247315967 644632681 /nfs/dbraw/zinc/63/26/81/644632681.db2.gz KABCUGJAEHPLPY-UHFFFAOYSA-N 0 0 249.144 2.314 20 5 BEBDRN CC(C)(F)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000092825575 644668539 /nfs/dbraw/zinc/66/85/39/644668539.db2.gz PMAZGDNQBPIEEC-UHFFFAOYSA-N 0 0 244.197 2.421 20 5 BEBDRN O=C(OCCCF)c1ccc([N+](=O)[O-])s1 ZINC000767242000 644673669 /nfs/dbraw/zinc/67/36/69/644673669.db2.gz VSUQCIRZJKJVSS-UHFFFAOYSA-N 0 0 233.220 2.173 20 5 BEBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)O[C@@H]1C=CCC1 ZINC000780559428 644733132 /nfs/dbraw/zinc/73/31/32/644733132.db2.gz UWQRMWMLIWHHFX-GFCCVEGCSA-N 0 0 247.250 2.399 20 5 BEBDRN O=C(OCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000798178807 644821760 /nfs/dbraw/zinc/82/17/60/644821760.db2.gz CZBBTNAUNGCHIO-UHFFFAOYSA-N 0 0 221.212 2.048 20 5 BEBDRN C[C@@H](O)COc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000304341428 644892918 /nfs/dbraw/zinc/89/29/18/644892918.db2.gz FLUQJVPGVRWNSL-RXMQYKEDSA-N 0 0 249.625 2.147 20 5 BEBDRN CC(C)=CCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835270378 645167124 /nfs/dbraw/zinc/16/71/24/645167124.db2.gz MNXSITKVWYWPGK-UHFFFAOYSA-N 0 0 229.276 2.331 20 5 BEBDRN Cc1ccc(-c2noc([C@@H]3CC3[N+](=O)[O-])n2)cc1 ZINC000841736214 645229175 /nfs/dbraw/zinc/22/91/75/645229175.db2.gz HKOXHDIZDAYANB-NXEZZACHSA-N 0 0 245.238 2.178 20 5 BEBDRN CC(C)N(CC[N+](=O)[O-])Cc1cccc(F)c1 ZINC000929341087 646088179 /nfs/dbraw/zinc/08/81/79/646088179.db2.gz KMULTDSRMBFLJF-UHFFFAOYSA-N 0 0 240.278 2.313 20 5 BEBDRN O=[N+]([O-])CCN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000929785736 646313845 /nfs/dbraw/zinc/31/38/45/646313845.db2.gz BOQXUBVPIXVVCS-LLVKDONJSA-N 0 0 240.690 2.364 20 5 BEBDRN O=[N+]([O-])c1cccc2c1CCN2CCOC1CC1 ZINC000930089953 646429230 /nfs/dbraw/zinc/42/92/30/646429230.db2.gz JOVVHZJPNSALRB-UHFFFAOYSA-N 0 0 248.282 2.136 20 5 BEBDRN CCCOCOc1ccc([N+](=O)[O-])cc1C=O ZINC000709720585 712216888 /nfs/dbraw/zinc/21/68/88/712216888.db2.gz RVHRFNSRRIZBHE-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN Cc1ccc(CSCCO)cc1[N+](=O)[O-] ZINC000714013631 712477429 /nfs/dbraw/zinc/47/74/29/712477429.db2.gz BHYPWCWZKJKDAR-UHFFFAOYSA-N 0 0 227.285 2.129 20 5 BEBDRN COC(C)(C)[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000720291012 712830335 /nfs/dbraw/zinc/83/03/35/712830335.db2.gz VZNKFDCRMZXQOI-QMMMGPOBSA-N 0 0 239.275 2.215 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1N1CCCCCCC1 ZINC000891443422 711522732 /nfs/dbraw/zinc/52/27/32/711522732.db2.gz ZHPRWBCRLZEQNF-UHFFFAOYSA-N 0 0 238.291 2.099 20 5 BEBDRN CC[C@@H](C[C@@H](C)O)Nc1ncc([N+](=O)[O-])s1 ZINC000716880885 711586576 /nfs/dbraw/zinc/58/65/76/711586576.db2.gz SRNHQGAGEOWYLB-RQJHMYQMSA-N 0 0 245.304 2.013 20 5 BEBDRN CC[C@@H](C[C@H](C)O)Nc1ncc([N+](=O)[O-])s1 ZINC000716880879 711586585 /nfs/dbraw/zinc/58/65/85/711586585.db2.gz SRNHQGAGEOWYLB-BQBZGAKWSA-N 0 0 245.304 2.013 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@H]1CC12CC(O)C2 ZINC000724990829 711641178 /nfs/dbraw/zinc/64/11/78/711641178.db2.gz PHJJLHWPODVRRC-QDYJBQRPSA-N 0 0 248.282 2.229 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC1CC(CCO)C1 ZINC000897232377 711785247 /nfs/dbraw/zinc/78/52/47/711785247.db2.gz QZBZZRZPOSESTJ-UHFFFAOYSA-N 0 0 236.271 2.168 20 5 BEBDRN C[C@@H](O)C[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000228134047 711833788 /nfs/dbraw/zinc/83/37/88/711833788.db2.gz HEAXFHKKWWGFNK-HTQZYQBOSA-N 0 0 242.250 2.305 20 5 BEBDRN C/C=C\C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228189971 711834036 /nfs/dbraw/zinc/83/40/36/711834036.db2.gz PASDNUZETXYXHE-LVCFMKKZSA-N 0 0 234.255 2.348 20 5 BEBDRN CC[C@H](C)OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173502635 712057833 /nfs/dbraw/zinc/05/78/33/712057833.db2.gz KPYSXMCZSYXBNP-VIFPVBQESA-N 0 0 237.255 2.479 20 5 BEBDRN C[C@H]1COC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000710837745 712258070 /nfs/dbraw/zinc/25/80/70/712258070.db2.gz PWZVCGSLVQZAFY-KWQFWETISA-N 0 0 222.244 2.042 20 5 BEBDRN Nc1c(F)c(N[C@@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000711059046 712277291 /nfs/dbraw/zinc/27/72/91/712277291.db2.gz XVJMNOFVZNJPBP-SSDOTTSWSA-N 0 0 237.234 2.447 20 5 BEBDRN O=C(Oc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000141156327 712281944 /nfs/dbraw/zinc/28/19/44/712281944.db2.gz QAGODYZWUHCJQA-UHFFFAOYSA-N 0 0 244.206 2.209 20 5 BEBDRN CCCCOC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000037022708 712529176 /nfs/dbraw/zinc/52/91/76/712529176.db2.gz KPJQFTAFHNMNCY-UHFFFAOYSA-N 0 0 238.243 2.134 20 5 BEBDRN CC(C)CNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037285942 712567166 /nfs/dbraw/zinc/56/71/66/712567166.db2.gz UTHQTLUEMRXLNC-UHFFFAOYSA-N 0 0 240.234 2.120 20 5 BEBDRN COCOCCCNc1ccsc1[N+](=O)[O-] ZINC000717653964 712663361 /nfs/dbraw/zinc/66/33/61/712663361.db2.gz QJPMKCAWGJOGKG-UHFFFAOYSA-N 0 0 246.288 2.079 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1c(F)cccc1F)C1CC1 ZINC001225206186 961865668 /nfs/dbraw/zinc/86/56/68/961865668.db2.gz JJZDWDLFOVMEBR-JTQLQIEISA-N 0 0 243.209 2.399 20 5 BEBDRN CCOC[C@H](C)Oc1nc(C)ccc1[N+](=O)[O-] ZINC001227062481 963447360 /nfs/dbraw/zinc/44/73/60/963447360.db2.gz NRIOIMOFMZTWTF-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN CCCNc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001157361994 963584056 /nfs/dbraw/zinc/58/40/56/963584056.db2.gz YYXZJWXGYAAQDI-UHFFFAOYSA-N 0 0 220.232 2.293 20 5 BEBDRN O=[N+]([O-])c1cc(NC2CC(F)C2)cnc1F ZINC001162215183 964876826 /nfs/dbraw/zinc/87/68/26/964876826.db2.gz XTBXQGQYQMTZPS-UHFFFAOYSA-N 0 0 229.186 2.041 20 5 BEBDRN CN(c1cc([N+](=O)[O-])ccn1)C(C)(C)C ZINC001166529425 966287525 /nfs/dbraw/zinc/28/75/25/966287525.db2.gz FMUKLKWJGMQAQH-UHFFFAOYSA-N 0 0 209.249 2.225 20 5 BEBDRN CCO[C@H](C)Sc1ccc([N+](=O)[O-])cn1 ZINC000901519489 966579998 /nfs/dbraw/zinc/57/99/98/966579998.db2.gz HIYUCHSFEZGLBT-ZETCQYMHSA-N 0 0 228.273 2.464 20 5 BEBDRN O=[N+]([O-])c1ccc(Cc2nnc(C3CC3)o2)cc1 ZINC000040350839 1165816354 /nfs/dbraw/zinc/81/63/54/1165816354.db2.gz CGGJCKNHPUOWAU-UHFFFAOYSA-N 0 0 245.238 2.446 20 5 BEBDRN Cc1cnc(OC2CCC2)c([N+](=O)[O-])c1 ZINC000238484578 1166886018 /nfs/dbraw/zinc/88/60/18/1166886018.db2.gz CNRCCZZCNWERJN-UHFFFAOYSA-N 0 0 208.217 2.230 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2CC=CC2)cn1 ZINC001226710516 975040750 /nfs/dbraw/zinc/04/07/50/975040750.db2.gz QVKJHMZBSLXJSQ-UHFFFAOYSA-N 0 0 206.201 2.087 20 5 BEBDRN CO[C@@H](C)CCOc1nccc(C)c1[N+](=O)[O-] ZINC001226117587 1167074330 /nfs/dbraw/zinc/07/43/30/1167074330.db2.gz CPCDKGQEJKHAQJ-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1cc(Cl)sn1)C1CC1 ZINC001227374907 975377297 /nfs/dbraw/zinc/37/72/97/975377297.db2.gz YKYQCAQKQXBMKP-LURJTMIESA-N 0 0 248.691 2.231 20 5 BEBDRN Cc1nc(NCCC(F)F)ccc1[N+](=O)[O-] ZINC000309320196 1167289313 /nfs/dbraw/zinc/28/93/13/1167289313.db2.gz GZHXMBHNKSSOMB-UHFFFAOYSA-N 0 0 231.202 2.365 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001345694865 980673232 /nfs/dbraw/zinc/67/32/32/980673232.db2.gz PPPCFFNFFORJHG-OUAUKWLOSA-N 0 0 243.303 2.267 20 5 BEBDRN CCOCOc1ccsc1[N+](=O)[O-] ZINC001473032498 983602080 /nfs/dbraw/zinc/60/20/80/983602080.db2.gz AWGQSJXGWKPSSP-UHFFFAOYSA-N 0 0 203.219 2.029 20 5 BEBDRN CC[C@H](C)Oc1nccc(C)c1[N+](=O)[O-] ZINC001226115583 974800064 /nfs/dbraw/zinc/80/00/64/974800064.db2.gz DUPNWHXBRPANQF-QMMMGPOBSA-N 0 0 210.233 2.476 20 5 BEBDRN Cc1ccnc(OC2CC(F)(F)C2)c1[N+](=O)[O-] ZINC001226117422 974800068 /nfs/dbraw/zinc/80/00/68/974800068.db2.gz CNRNTBSJAJKAMM-UHFFFAOYSA-N 0 0 244.197 2.475 20 5 BEBDRN Cc1ccnc(OCCOC(C)C)c1[N+](=O)[O-] ZINC001226116020 974800200 /nfs/dbraw/zinc/80/02/00/974800200.db2.gz MGKPDDLHYJKJSK-UHFFFAOYSA-N 0 0 240.259 2.102 20 5 BEBDRN O=[N+]([O-])c1cc(O[C@@H]2CCOC2)c(F)cc1F ZINC001226192957 974825958 /nfs/dbraw/zinc/82/59/58/974825958.db2.gz YZJKLVMQRLAKKI-ZCFIWIBFSA-N 0 0 245.181 2.041 20 5 BEBDRN Cc1ncc(CO[C@H](C[N+](=O)[O-])C2CC2)s1 ZINC001223538718 973137616 /nfs/dbraw/zinc/13/76/16/973137616.db2.gz IWIZOWCRGSJIDZ-SNVBAGLBSA-N 0 0 242.300 2.023 20 5 BEBDRN Cc1cccc(OC[C@H](O)C2CC2)c1[N+](=O)[O-] ZINC000402416516 970802337 /nfs/dbraw/zinc/80/23/37/970802337.db2.gz DQDBMHQROQNNMK-JTQLQIEISA-N 0 0 237.255 2.053 20 5 BEBDRN CC(C)Cc1nnc(-c2ccc([N+](=O)[O-])nc2)o1 ZINC001256413145 970823992 /nfs/dbraw/zinc/82/39/92/970823992.db2.gz TUHYZWJHOUCWSG-UHFFFAOYSA-N 0 0 248.242 2.238 20 5 BEBDRN C[C@H](OCCCCO)c1cccc([N+](=O)[O-])c1 ZINC001217887339 971483326 /nfs/dbraw/zinc/48/33/26/971483326.db2.gz GRYIIFRFXAGANI-JTQLQIEISA-N 0 0 239.271 2.445 20 5 BEBDRN C[C@@H](O)CCOc1cc([N+](=O)[O-])c(F)cc1F ZINC001330283166 974187901 /nfs/dbraw/zinc/18/79/01/974187901.db2.gz KFAUJYHDQFNQOW-ZCFIWIBFSA-N 0 0 247.197 2.023 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cc(OC2CC(O)C2)c1 ZINC001218256941 971649698 /nfs/dbraw/zinc/64/96/98/971649698.db2.gz GLHDBJFQGIFDNV-UHFFFAOYSA-N 0 0 243.646 2.150 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cc(O[C@H]2C[C@H](O)C2)c1 ZINC001218359767 971733560 /nfs/dbraw/zinc/73/35/60/971733560.db2.gz GLHDBJFQGIFDNV-CZMCAQCFSA-N 0 0 243.646 2.150 20 5 BEBDRN Cc1cc(F)cc([N+](=O)[O-])c1OC[C@H]1CCO1 ZINC001229199687 1169652285 /nfs/dbraw/zinc/65/22/85/1169652285.db2.gz XILPGEFGLGVAAB-SECBINFHSA-N 0 0 241.218 2.210 20 5 BEBDRN CCCC=Nc1ncc([N+](=O)[O-])cc1OC ZINC001170764460 971753733 /nfs/dbraw/zinc/75/37/33/971753733.db2.gz VWWUAIMODUPCGA-SNAWJCMRSA-N 0 0 223.232 2.334 20 5 BEBDRN CCC=CNc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001170768022 971760444 /nfs/dbraw/zinc/76/04/44/971760444.db2.gz UYQANIIOPJVONG-ONEGZZNKSA-N 0 0 233.231 2.153 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1C[C@@H](O)C1 ZINC001218416790 971791633 /nfs/dbraw/zinc/79/16/33/971791633.db2.gz FGBVFFHYYLQHMT-OCAPTIKFSA-N 0 0 243.646 2.150 20 5 BEBDRN O=[N+]([O-])c1cc(O[C@H]2C[C@@H](O)C2)ccc1Cl ZINC001218419990 971793704 /nfs/dbraw/zinc/79/37/04/971793704.db2.gz CAIMRJWQADCOIM-WRXNHJIOSA-N 0 0 243.646 2.150 20 5 BEBDRN Cc1cccc(OC[C@H]2C[C@H](O)C2)c1[N+](=O)[O-] ZINC001218424140 971800885 /nfs/dbraw/zinc/80/08/85/971800885.db2.gz HVRBUZZMDYQFMZ-MGCOHNPYSA-N 0 0 237.255 2.053 20 5 BEBDRN Nc1ccnc(NC(C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000311112647 971992642 /nfs/dbraw/zinc/99/26/42/971992642.db2.gz MXDFORJASFIODY-UHFFFAOYSA-N 0 0 248.286 2.173 20 5 BEBDRN Cc1cc(OC2CC=CC2)ncc1[N+](=O)[O-] ZINC001225660718 974631886 /nfs/dbraw/zinc/63/18/86/974631886.db2.gz GZESKZIEXRXKEO-UHFFFAOYSA-N 0 0 220.228 2.396 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC[C@@H]2CCO2)c1 ZINC001225681836 974640967 /nfs/dbraw/zinc/64/09/67/974640967.db2.gz FEYPPGXKFQBUOC-VIFPVBQESA-N 0 0 223.228 2.071 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2ncccc2O)c1 ZINC001204414582 956886517 /nfs/dbraw/zinc/88/65/17/956886517.db2.gz ADBKCYUQPZKXNS-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN COc1cc(Nc2cccc([N+](=O)[O-])c2)no1 ZINC001204416553 956934424 /nfs/dbraw/zinc/93/44/24/956934424.db2.gz WYAFIYUNHUPJKQ-UHFFFAOYSA-N 0 0 235.199 2.335 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000157531409 957084128 /nfs/dbraw/zinc/08/41/28/957084128.db2.gz CFYAXCHNWKNJJT-UHFFFAOYSA-N 0 0 245.238 2.151 20 5 BEBDRN CN(C[C@H]1CC1(C)C)c1cccc([N+](=O)[O-])n1 ZINC001167093150 957282047 /nfs/dbraw/zinc/28/20/47/957282047.db2.gz XOCHDUGNMLCKJD-SECBINFHSA-N 0 0 235.287 2.472 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C1=CC[C@H](C)CC1 ZINC001349805034 958830755 /nfs/dbraw/zinc/83/07/55/958830755.db2.gz DXPZZZMOHUXSHU-ONGXEEELSA-N 0 0 241.287 2.331 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC[C@]12C[C@H]1CCCC2 ZINC000710481504 962390749 /nfs/dbraw/zinc/39/07/49/962390749.db2.gz KAOCLZWVYZCAJD-MFKMUULPSA-N 0 0 247.298 2.404 20 5 BEBDRN O=[N+]([O-])c1cccc(O[C@H]2CCCOC2)c1F ZINC001225794209 962830045 /nfs/dbraw/zinc/83/00/45/962830045.db2.gz KVKNOPLPLSFHRM-QMMMGPOBSA-N 0 0 241.218 2.292 20 5 BEBDRN CCc1coc(CNc2cccc([N+](=O)[O-])n2)n1 ZINC001154773327 962844570 /nfs/dbraw/zinc/84/45/70/962844570.db2.gz NUWSFPXJDJKPMC-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN COc1cnc(NCC(C)C)cc1[N+](=O)[O-] ZINC001161647287 963002161 /nfs/dbraw/zinc/00/21/61/963002161.db2.gz VGWGXWMTKMNAQR-UHFFFAOYSA-N 0 0 225.248 2.066 20 5 BEBDRN CC[C@H](C)Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001167997626 963193808 /nfs/dbraw/zinc/19/38/08/963193808.db2.gz DEKQLNIWOKANTL-LURJTMIESA-N 0 0 235.247 2.077 20 5 BEBDRN CC[C@@H](C)Nc1cnc(F)c([N+](=O)[O-])c1 ZINC001168002888 963241566 /nfs/dbraw/zinc/24/15/66/963241566.db2.gz DVFVKSDURVCHLS-ZCFIWIBFSA-N 0 0 213.212 2.339 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)c(OC2COC2)c1 ZINC001226810496 963371531 /nfs/dbraw/zinc/37/15/31/963371531.db2.gz NWZICISXURLPSX-UHFFFAOYSA-N 0 0 229.619 2.026 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CC2CC(C2)C1 ZINC001156887852 963481827 /nfs/dbraw/zinc/48/18/27/963481827.db2.gz PCQGHCPCSJEFML-UHFFFAOYSA-N 0 0 233.271 2.144 20 5 BEBDRN Cc1cc(O)cc(O[C@@H](C[N+](=O)[O-])C2CC2)c1 ZINC001227472059 963529322 /nfs/dbraw/zinc/52/93/22/963529322.db2.gz NQIBUGXKQVHFIZ-LBPRGKRZSA-N 0 0 237.255 2.135 20 5 BEBDRN CCCNc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001157358379 963584685 /nfs/dbraw/zinc/58/46/85/963584685.db2.gz UJEWOYOANZUGLK-UHFFFAOYSA-N 0 0 232.243 2.360 20 5 BEBDRN O=[N+]([O-])c1ccnc(NC[C@H]2C[C@H](F)C2)c1 ZINC001157451614 963612314 /nfs/dbraw/zinc/61/23/14/963612314.db2.gz GHOIYXZAXMQWQZ-ZKCHVHJHSA-N 0 0 225.223 2.150 20 5 BEBDRN O=[N+]([O-])c1cncc(O[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC001227987146 963650664 /nfs/dbraw/zinc/65/06/64/963650664.db2.gz FPVWLBDFDGTIGU-DIYOJNKTSA-N 0 0 220.228 2.167 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cc(NC2CSC2)n1 ZINC001157576750 963665410 /nfs/dbraw/zinc/66/54/10/963665410.db2.gz DIUBGTQOPFYGND-UHFFFAOYSA-N 0 0 245.691 2.171 20 5 BEBDRN N#CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001157824893 963741490 /nfs/dbraw/zinc/74/14/90/963741490.db2.gz WDEJJTRTLVTARD-UHFFFAOYSA-N 0 0 214.184 2.036 20 5 BEBDRN COc1cnc(N2C3CCC2CC3)c([N+](=O)[O-])c1 ZINC001159078374 963991812 /nfs/dbraw/zinc/99/18/12/963991812.db2.gz YXQOXBQBVDYZPT-UHFFFAOYSA-N 0 0 249.270 2.130 20 5 BEBDRN COc1cc(N2C3CCC2CC3)ncc1[N+](=O)[O-] ZINC001159077967 963993653 /nfs/dbraw/zinc/99/36/53/963993653.db2.gz MPVSKHKFXSBNDY-UHFFFAOYSA-N 0 0 249.270 2.130 20 5 BEBDRN Cc1cnc(NC[C@H]2C[C@H](F)C2)cc1[N+](=O)[O-] ZINC001168238035 964026640 /nfs/dbraw/zinc/02/66/40/964026640.db2.gz QJXVBPGNCBYAHH-KYZUINATSA-N 0 0 239.250 2.458 20 5 BEBDRN Cc1cc(NC[C@H]2C[C@H](F)C2)ncc1[N+](=O)[O-] ZINC001168237291 964038825 /nfs/dbraw/zinc/03/88/25/964038825.db2.gz OQCUDJSLDVGBHV-KYZUINATSA-N 0 0 239.250 2.458 20 5 BEBDRN O=[N+]([O-])c1ccnc(NCOc2ccccc2)c1 ZINC001159700189 964152690 /nfs/dbraw/zinc/15/26/90/964152690.db2.gz TWDXSINCRNICNW-UHFFFAOYSA-N 0 0 245.238 2.438 20 5 BEBDRN C[C@H](O[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC001224019238 964343816 /nfs/dbraw/zinc/34/38/16/964343816.db2.gz DWRXTVALTAEBCX-JOYOIKCWSA-N 0 0 237.255 2.461 20 5 BEBDRN CCc1coc(CNc2cccnc2[N+](=O)[O-])n1 ZINC001162137448 964852068 /nfs/dbraw/zinc/85/20/68/964852068.db2.gz CDLXETGSOVGRQH-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CCCCNc1cccc2ncc([N+](=O)[O-])n21 ZINC001162207660 964868556 /nfs/dbraw/zinc/86/85/56/964868556.db2.gz LNROZBNPDSPFTN-UHFFFAOYSA-N 0 0 234.259 2.455 20 5 BEBDRN Cc1c(F)cnc(NC2CC(F)C2)c1[N+](=O)[O-] ZINC001162209757 964870988 /nfs/dbraw/zinc/87/09/88/964870988.db2.gz NTTXVJXXADDZMD-UHFFFAOYSA-N 0 0 243.213 2.350 20 5 BEBDRN CC(C)(C)C(=N)Nc1cccnc1[N+](=O)[O-] ZINC001162660763 965091685 /nfs/dbraw/zinc/09/16/85/965091685.db2.gz MQAGHUKVOCNUSZ-UHFFFAOYSA-N 0 0 222.248 2.425 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2C=CCC2)s1 ZINC000698188184 965092915 /nfs/dbraw/zinc/09/29/15/965092915.db2.gz APLUSCPCSRXGQN-ZCFIWIBFSA-N 0 0 211.246 2.182 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)c1ccno1 ZINC001163207774 965304675 /nfs/dbraw/zinc/30/46/75/965304675.db2.gz SIDKCJQKRDCIOO-MRVPVSSYSA-N 0 0 248.242 2.459 20 5 BEBDRN CN(c1cccc([N+](=O)[O-])n1)C1CC(F)(F)C1 ZINC001163766070 965573994 /nfs/dbraw/zinc/57/39/94/965573994.db2.gz JMWWLVYKBSDPFF-UHFFFAOYSA-N 0 0 243.213 2.224 20 5 BEBDRN O=[N+]([O-])c1cnc(SCc2ccncc2)nc1 ZINC001164220119 965802363 /nfs/dbraw/zinc/80/23/63/965802363.db2.gz BXQGYCLDSWBGOH-UHFFFAOYSA-N 0 0 248.267 2.072 20 5 BEBDRN O=[N+]([O-])c1cnc(NC/C=C/Cl)c(F)c1 ZINC001164303253 965836702 /nfs/dbraw/zinc/83/67/02/965836702.db2.gz PSQCKXPTZNDNDM-OWOJBTEDSA-N 0 0 231.614 2.293 20 5 BEBDRN O=[N+]([O-])c1cccc(OCCc2cnoc2)c1 ZINC001164575369 965921308 /nfs/dbraw/zinc/92/13/08/965921308.db2.gz HHAAWTNKACGABZ-UHFFFAOYSA-N 0 0 234.211 2.204 20 5 BEBDRN Nc1cc([N+](=O)[O-])cnc1N1CCC12CCCC2 ZINC001165280917 966025676 /nfs/dbraw/zinc/02/56/76/966025676.db2.gz ZFYLBEKDZRHIQN-UHFFFAOYSA-N 0 0 248.286 2.095 20 5 BEBDRN COCCn1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC001166956811 966485742 /nfs/dbraw/zinc/48/57/42/966485742.db2.gz UAFRFGZJISGDAN-UHFFFAOYSA-N 0 0 247.254 2.105 20 5 BEBDRN Cc1ccc(Nc2ccc([N+](=O)[O-])nc2)cn1 ZINC001203560414 966689687 /nfs/dbraw/zinc/68/96/87/966689687.db2.gz KYYASZMTTIJEQU-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])nc1)c1ccccc1N ZINC001203574681 966696382 /nfs/dbraw/zinc/69/63/82/966696382.db2.gz GDKOEXKLWUOZJZ-UHFFFAOYSA-N 0 0 244.254 2.340 20 5 BEBDRN CC(=O)[C@@H](C)O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001205234079 966926507 /nfs/dbraw/zinc/92/65/07/966926507.db2.gz VNVCQYBOMTUCIH-RNCFNFMXSA-N 0 0 249.266 2.056 20 5 BEBDRN Cc1nonc1Nc1cccc([N+](=O)[O-])c1 ZINC001204415767 966979100 /nfs/dbraw/zinc/97/91/00/966979100.db2.gz NSVASQWNOYVSAK-UHFFFAOYSA-N 0 0 220.188 2.030 20 5 BEBDRN CN(c1cccc([N+](=O)[O-])c1)c1ncccc1N ZINC001204406795 966990314 /nfs/dbraw/zinc/99/03/14/966990314.db2.gz HZUJRZICESRALG-UHFFFAOYSA-N 0 0 244.254 2.340 20 5 BEBDRN Cc1cc(Nc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC001204407319 966990365 /nfs/dbraw/zinc/99/03/65/966990365.db2.gz NTWGOPPFQZTACZ-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Cc1nsc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC001204407157 966991799 /nfs/dbraw/zinc/99/17/99/966991799.db2.gz KLWKHWHVBKUWDA-UHFFFAOYSA-N 0 0 236.256 2.498 20 5 BEBDRN COc1nn(C)cc1Nc1cccc([N+](=O)[O-])c1 ZINC001204406403 966992661 /nfs/dbraw/zinc/99/26/61/966992661.db2.gz CYFQJIOARLYQST-UHFFFAOYSA-N 0 0 248.242 2.081 20 5 BEBDRN Cc1nccnc1Nc1cccc([N+](=O)[O-])c1 ZINC001204406464 966993368 /nfs/dbraw/zinc/99/33/68/966993368.db2.gz FFUKHTJOUSASTE-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Nc1cc[nH]c(=O)c1Nc1cccc([N+](=O)[O-])c1 ZINC001204440415 966995239 /nfs/dbraw/zinc/99/52/39/966995239.db2.gz YPTUTBHAGGJQTR-UHFFFAOYSA-N 0 0 246.226 2.021 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2cncc(CO)c2)c1 ZINC001204450286 967000460 /nfs/dbraw/zinc/00/04/60/967000460.db2.gz LJZSHTFURGLQBG-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN Cc1ccc2c(ccnc2NC#N)c1[N+](=O)[O-] ZINC001168625850 967117467 /nfs/dbraw/zinc/11/74/67/967117467.db2.gz USZGMYJBGNZOJO-UHFFFAOYSA-N 0 0 228.211 2.344 20 5 BEBDRN Cc1ccnc(N[C@@H](C)c2ccno2)c1[N+](=O)[O-] ZINC001163207971 968005653 /nfs/dbraw/zinc/00/56/53/968005653.db2.gz GRRBDTUSGMJCEH-QMMMGPOBSA-N 0 0 248.242 2.459 20 5 BEBDRN C[C@@H](OCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC001206052530 968018296 /nfs/dbraw/zinc/01/82/96/968018296.db2.gz NOEIXCRRIQMSRA-SECBINFHSA-N 0 0 239.271 2.443 20 5 BEBDRN CCN(C)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC001163583449 968068629 /nfs/dbraw/zinc/06/86/29/968068629.db2.gz BEGLQNBMXZJXKN-UHFFFAOYSA-N 0 0 209.249 2.063 20 5 BEBDRN CCN(C)c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001163583290 968069455 /nfs/dbraw/zinc/06/94/55/968069455.db2.gz PBCHLRPRVSYWEV-UHFFFAOYSA-N 0 0 239.275 2.233 20 5 BEBDRN O=[N+]([O-])c1nc[nH]c1-c1nc2c(cccc2F)[nH]1 ZINC001251165343 968272070 /nfs/dbraw/zinc/27/20/70/968272070.db2.gz GWZKCNPUPQQMMR-UHFFFAOYSA-N 0 0 247.189 2.000 20 5 BEBDRN O=C1CC(Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230914679 968489963 /nfs/dbraw/zinc/48/99/63/968489963.db2.gz JRPUVKQWIDLBIA-UHFFFAOYSA-N 0 0 241.630 2.359 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCCCC(F)F ZINC001120058145 968517886 /nfs/dbraw/zinc/51/78/86/968517886.db2.gz OWIHVBRGDYIAQJ-UHFFFAOYSA-N 0 0 231.202 2.447 20 5 BEBDRN COc1nc(NCC(C)(F)F)ccc1[N+](=O)[O-] ZINC001154854983 968695452 /nfs/dbraw/zinc/69/54/52/968695452.db2.gz IYAJRNPJZATLEJ-UHFFFAOYSA-N 0 0 247.201 2.066 20 5 BEBDRN COc1cnc(NC2(C)CCC2)c([N+](=O)[O-])c1 ZINC001156069521 969175337 /nfs/dbraw/zinc/17/53/37/969175337.db2.gz GOZHCSSWNYCRBR-UHFFFAOYSA-N 0 0 237.259 2.353 20 5 BEBDRN Cc1nnc(-c2cccc(F)c2[N+](=O)[O-])o1 ZINC001253463287 969186758 /nfs/dbraw/zinc/18/67/58/969186758.db2.gz NOPYEOXHMVJHMR-UHFFFAOYSA-N 0 0 223.163 2.092 20 5 BEBDRN COc1c(C)ccc(-c2nnc(C)o2)c1[N+](=O)[O-] ZINC001253463109 969187141 /nfs/dbraw/zinc/18/71/41/969187141.db2.gz JZNCHQPWQOCUJA-UHFFFAOYSA-N 0 0 249.226 2.270 20 5 BEBDRN COc1cc(C)c([N+](=O)[O-])cc1-c1nnc(C)o1 ZINC001253470929 969189786 /nfs/dbraw/zinc/18/97/86/969189786.db2.gz MILISJGQPYIIQL-UHFFFAOYSA-N 0 0 249.226 2.270 20 5 BEBDRN O=[N+]([O-])C[C@@H]1CC[C@H](N2CCCC(F)(F)C2)C1 ZINC001169008279 969333070 /nfs/dbraw/zinc/33/30/70/969333070.db2.gz SPVICJYDJDFDIZ-ZJUUUORDSA-N 0 0 248.273 2.163 20 5 BEBDRN Cc1cc(Nc2ccc(N)c([N+](=O)[O-])c2)on1 ZINC001209932584 969694774 /nfs/dbraw/zinc/69/47/74/969694774.db2.gz COVIPBMHVCLGTN-UHFFFAOYSA-N 0 0 234.215 2.217 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1=CC=C[CH]1)C2 ZINC001254583197 969743898 /nfs/dbraw/zinc/74/38/98/969743898.db2.gz YJFQLUSUDITNPX-ZDUSSCGKSA-N 0 0 241.270 2.310 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2cccnn2)c1F ZINC001210378922 969880629 /nfs/dbraw/zinc/88/06/29/969880629.db2.gz RGXKGQVTLBRGON-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2ccnnc2)c1F ZINC001210378231 969880758 /nfs/dbraw/zinc/88/07/58/969880758.db2.gz GPUHLMFHLDVFIY-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN Cc1ncncc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210392488 969881247 /nfs/dbraw/zinc/88/12/47/969881247.db2.gz FEUJBQQOZNYNKV-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1cncc(Nc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC001210392845 969882042 /nfs/dbraw/zinc/88/20/42/969882042.db2.gz OAUAJQGYUIKVGJ-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Nc1cccnn1 ZINC001210444423 969889218 /nfs/dbraw/zinc/88/92/18/969889218.db2.gz ZPTLDWMHBVKCFY-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN CCc1nnc(-c2cc(C)nc(C)c2[N+](=O)[O-])o1 ZINC001255132834 969948488 /nfs/dbraw/zinc/94/84/88/969948488.db2.gz XQCHBXQIGFCQPI-UHFFFAOYSA-N 0 0 248.242 2.219 20 5 BEBDRN N=CNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001157077365 970076046 /nfs/dbraw/zinc/07/60/46/970076046.db2.gz AQSOHPJAROSFPT-UHFFFAOYSA-N 0 0 216.200 2.162 20 5 BEBDRN N=CNc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001157079951 970079471 /nfs/dbraw/zinc/07/94/71/970079471.db2.gz JSZUBRCAWOVWTD-UHFFFAOYSA-N 0 0 243.226 2.071 20 5 BEBDRN N=CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001157078919 970079978 /nfs/dbraw/zinc/07/99/78/970079978.db2.gz RSWWZJADIDCTQI-UHFFFAOYSA-N 0 0 216.200 2.162 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1NC[C@H]1C[C@H](F)C1 ZINC001157452696 970317017 /nfs/dbraw/zinc/31/70/17/970317017.db2.gz ITVOVUXRRRUAFK-LJGSYFOKSA-N 0 0 243.213 2.289 20 5 BEBDRN CO[C@H](C)COCc1ccccc1[N+](=O)[O-] ZINC001222760576 972685256 /nfs/dbraw/zinc/68/52/56/972685256.db2.gz RZNSTDCZHOWKHZ-SECBINFHSA-N 0 0 225.244 2.146 20 5 BEBDRN COC[C@H](C)OCc1ccccc1[N+](=O)[O-] ZINC001222761004 972685577 /nfs/dbraw/zinc/68/55/77/972685577.db2.gz AJQFTXOTRBDCSJ-VIFPVBQESA-N 0 0 225.244 2.146 20 5 BEBDRN O=[N+]([O-])c1ccccc1CO[C@H]1CCCOC1 ZINC001222759411 972685874 /nfs/dbraw/zinc/68/58/74/972685874.db2.gz FOOOUXLHTJVIKD-NSHDSACASA-N 0 0 237.255 2.290 20 5 BEBDRN O=[N+]([O-])c1cccc(CO[C@H]2CCCOC2)c1 ZINC001222768060 972690838 /nfs/dbraw/zinc/69/08/38/972690838.db2.gz GWYOAXXPVBRWOM-LBPRGKRZSA-N 0 0 237.255 2.290 20 5 BEBDRN O=[N+]([O-])c1ccc(CO[C@H]2CCCOC2)cc1 ZINC001222790689 972697582 /nfs/dbraw/zinc/69/75/82/972697582.db2.gz ZCPBGCDBNASLDM-LBPRGKRZSA-N 0 0 237.255 2.290 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CC[C@@H]2C[C@@H]2C1 ZINC001327707002 972703357 /nfs/dbraw/zinc/70/33/57/972703357.db2.gz CCPJBZQOWWCFPE-NXEZZACHSA-N 0 0 233.271 2.144 20 5 BEBDRN Cc1cc(NC[C@H]2CCOC2)c([N+](=O)[O-])s1 ZINC001327958491 972828231 /nfs/dbraw/zinc/82/82/31/972828231.db2.gz VOAILJVJXBBLHH-MRVPVSSYSA-N 0 0 242.300 2.413 20 5 BEBDRN CCc1nnc(-c2cc(C)cc([N+](=O)[O-])c2N)o1 ZINC001328125423 972879789 /nfs/dbraw/zinc/87/97/89/972879789.db2.gz GKFWNHKKCIKEHF-UHFFFAOYSA-N 0 0 248.242 2.098 20 5 BEBDRN Cc1c(COC[C@@H]2CCO2)cccc1[N+](=O)[O-] ZINC001223331499 972961913 /nfs/dbraw/zinc/96/19/13/972961913.db2.gz KXJJVBUANFHXIU-NSHDSACASA-N 0 0 237.255 2.209 20 5 BEBDRN COc1cc(COC2CC2)cc([N+](=O)[O-])c1 ZINC001223396694 973042354 /nfs/dbraw/zinc/04/23/54/973042354.db2.gz RLTDZOIVXYBDMG-UHFFFAOYSA-N 0 0 223.228 2.282 20 5 BEBDRN C[C@@H](O[C@@H](C[N+](=O)[O-])C1CC1)c1ccccn1 ZINC001223997123 973388195 /nfs/dbraw/zinc/38/81/95/973388195.db2.gz WCMDDYSRWYIUGN-SKDRFNHKSA-N 0 0 236.271 2.215 20 5 BEBDRN C[C@H](OC[C@H]1CCO1)c1ccc([N+](=O)[O-])cc1 ZINC001224022240 973408860 /nfs/dbraw/zinc/40/88/60/973408860.db2.gz CFGWYTRDJGNSRC-JOYOIKCWSA-N 0 0 237.255 2.461 20 5 BEBDRN C[C@@H](OC[C@@H]1CCO1)c1ccc([N+](=O)[O-])cc1 ZINC001224022241 973410923 /nfs/dbraw/zinc/41/09/23/973410923.db2.gz CFGWYTRDJGNSRC-SKDRFNHKSA-N 0 0 237.255 2.461 20 5 BEBDRN O=[N+]([O-])c1ccc(CO[C@H]2C=CCC2)cn1 ZINC001224116119 973456929 /nfs/dbraw/zinc/45/69/29/973456929.db2.gz YFLCGNHBVQYXEO-JTQLQIEISA-N 0 0 220.228 2.225 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NCCCC1CC1 ZINC001329104165 973485862 /nfs/dbraw/zinc/48/58/62/973485862.db2.gz GRYWCBGALSGXBI-UHFFFAOYSA-N 0 0 235.287 2.322 20 5 BEBDRN C[C@@H](OCC1COC1)c1ccccc1[N+](=O)[O-] ZINC001224745441 973905499 /nfs/dbraw/zinc/90/54/99/973905499.db2.gz BBHXDUIIBNLEBG-SECBINFHSA-N 0 0 237.255 2.319 20 5 BEBDRN Cc1c(CNc2ccnn2C)cccc1[N+](=O)[O-] ZINC001329743361 973906690 /nfs/dbraw/zinc/90/66/90/973906690.db2.gz PNFAAJZMENLNCS-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN C[C@@H](OCC1COC1)c1cccc([N+](=O)[O-])c1 ZINC001224748458 973915974 /nfs/dbraw/zinc/91/59/74/973915974.db2.gz OXETVJKNVCNBGB-SECBINFHSA-N 0 0 237.255 2.319 20 5 BEBDRN CC1(C)CC(CO[C@H](C[N+](=O)[O-])C2CC2)C1 ZINC001224768307 973933010 /nfs/dbraw/zinc/93/30/10/973933010.db2.gz CFTGKAQORDVOTK-LLVKDONJSA-N 0 0 227.304 2.495 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CCC[C@@H](F)C1 ZINC001330042565 974083841 /nfs/dbraw/zinc/08/38/41/974083841.db2.gz SWUBVXZISFVTQC-SECBINFHSA-N 0 0 239.250 2.237 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CC2CC1(C)C2 ZINC001330088957 974102887 /nfs/dbraw/zinc/10/28/87/974102887.db2.gz VKSFVQOKOYAHNG-UHFFFAOYSA-N 0 0 233.271 2.287 20 5 BEBDRN Cc1ccccc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001225217305 974245862 /nfs/dbraw/zinc/24/58/62/974245862.db2.gz WGKMARVWPQYQTL-GFCCVEGCSA-N 0 0 221.256 2.429 20 5 BEBDRN C[C@@H](C[N+](C)(C)C)Oc1ccc([S-])cc1 ZINC001225554399 974551129 /nfs/dbraw/zinc/55/11/29/974551129.db2.gz CLMQLTCLKMYSSC-JTQLQIEISA-O 0 0 226.365 2.449 20 5 BEBDRN CCC(=O)[C@H](CC)Oc1cccnc1[N+](=O)[O-] ZINC001225629537 974600574 /nfs/dbraw/zinc/60/05/74/974600574.db2.gz OQJCLDBEXDKUAN-VIFPVBQESA-N 0 0 238.243 2.126 20 5 BEBDRN O=[N+]([O-])c1ncccc1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001225630166 974607535 /nfs/dbraw/zinc/60/75/35/974607535.db2.gz XFCNOHTXEICBCN-AYMMMOKOSA-N 0 0 220.228 2.167 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2C=CCC2)nc1 ZINC001225630780 974608264 /nfs/dbraw/zinc/60/82/64/974608264.db2.gz FPIFWAURKDQKEN-SECBINFHSA-N 0 0 206.201 2.087 20 5 BEBDRN Cc1cc(O[C@@H](C)C2CC2)ncc1[N+](=O)[O-] ZINC001225657968 974629926 /nfs/dbraw/zinc/62/99/26/974629926.db2.gz VWSOLPFZPDRWMT-QMMMGPOBSA-N 0 0 222.244 2.476 20 5 BEBDRN Cc1cc(OC2CC(F)(F)C2)ncc1[N+](=O)[O-] ZINC001225663632 974632438 /nfs/dbraw/zinc/63/24/38/974632438.db2.gz RYRMTDQQYVJCKM-UHFFFAOYSA-N 0 0 244.197 2.475 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1O[C@@H]1CCCOC1 ZINC001225663311 974632665 /nfs/dbraw/zinc/63/26/65/974632665.db2.gz CSCXLYMFNWTSFB-MRVPVSSYSA-N 0 0 241.218 2.292 20 5 BEBDRN CC(=O)[C@@H](C)Oc1cccc(F)c1[N+](=O)[O-] ZINC001225667958 974634531 /nfs/dbraw/zinc/63/45/31/974634531.db2.gz WOMBGCYJZKRLSM-SSDOTTSWSA-N 0 0 227.191 2.090 20 5 BEBDRN CC(=O)[C@H](C)Oc1cccc(F)c1[N+](=O)[O-] ZINC001225667961 974635742 /nfs/dbraw/zinc/63/57/42/974635742.db2.gz WOMBGCYJZKRLSM-ZETCQYMHSA-N 0 0 227.191 2.090 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1ccnc(Cl)c1)C1CC1 ZINC001225781089 974680274 /nfs/dbraw/zinc/68/02/74/974680274.db2.gz IITSVIRFQGEQAG-SECBINFHSA-N 0 0 242.662 2.169 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(F)cc1OC1CC1 ZINC001225779746 974680365 /nfs/dbraw/zinc/68/03/65/974680365.db2.gz QXDOYZFPUAJTOB-UHFFFAOYSA-N 0 0 215.155 2.414 20 5 BEBDRN CC(=O)[C@H](C)Oc1cccc([N+](=O)[O-])c1F ZINC001225794429 974686584 /nfs/dbraw/zinc/68/65/84/974686584.db2.gz QONRVZJUSZOWLH-ZETCQYMHSA-N 0 0 227.191 2.090 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc([N+](=O)[O-])c1OC1CC1 ZINC001225889629 974718211 /nfs/dbraw/zinc/71/82/11/974718211.db2.gz QYFAWRCBHIVWEH-UHFFFAOYSA-N 0 0 242.162 2.183 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1cc(F)ccc1F)C1CC1 ZINC001225903332 974723331 /nfs/dbraw/zinc/72/33/31/974723331.db2.gz WUTGJHVQHRXXTL-LLVKDONJSA-N 0 0 243.209 2.399 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2CCCOC2)c(F)c1 ZINC001225942735 974739382 /nfs/dbraw/zinc/73/93/82/974739382.db2.gz VKBMAVRGIUTYQA-SECBINFHSA-N 0 0 241.218 2.292 20 5 BEBDRN COC[C@H](C)Oc1ccc([N+](=O)[O-])cc1F ZINC001225947798 974740193 /nfs/dbraw/zinc/74/01/93/974740193.db2.gz LGYZKLCBKXILDH-ZETCQYMHSA-N 0 0 229.207 2.148 20 5 BEBDRN COC[C@H](C)Oc1c(F)cccc1[N+](=O)[O-] ZINC001226007718 974760065 /nfs/dbraw/zinc/76/00/65/974760065.db2.gz SLHZJQUWCCSNGG-ZETCQYMHSA-N 0 0 229.207 2.148 20 5 BEBDRN CO[C@@H](C)CCOc1c(O)cccc1[N+](=O)[O-] ZINC001226334204 974862587 /nfs/dbraw/zinc/86/25/87/974862587.db2.gz SLKGPGOPLYBFTO-QMMMGPOBSA-N 0 0 241.243 2.104 20 5 BEBDRN CC[C@@H](C)Oc1c(O)cccc1[N+](=O)[O-] ZINC001226333513 974863526 /nfs/dbraw/zinc/86/35/26/974863526.db2.gz LDZWDIDRKKUCLM-SSDOTTSWSA-N 0 0 211.217 2.478 20 5 BEBDRN CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC001332232385 975020103 /nfs/dbraw/zinc/02/01/03/975020103.db2.gz PLSVHICOXSRTRA-SSDOTTSWSA-N 0 0 212.224 2.404 20 5 BEBDRN C[C@H]1CC[C@@H](Oc2ncc([N+](=O)[O-])cn2)CC1 ZINC001226733890 975051377 /nfs/dbraw/zinc/05/13/77/975051377.db2.gz UBCBMYMQLMCKHR-WAAGHKOSSA-N 0 0 237.259 2.342 20 5 BEBDRN CC[C@H](C)[C@H](C)Oc1ncc([N+](=O)[O-])cn1 ZINC001226733021 975051844 /nfs/dbraw/zinc/05/18/44/975051844.db2.gz DWMBPKXRAMVNRV-YUMQZZPRSA-N 0 0 225.248 2.198 20 5 BEBDRN CCO[C@@H](C)COc1cccc([N+](=O)[O-])c1 ZINC001226763218 975062951 /nfs/dbraw/zinc/06/29/51/975062951.db2.gz MBNOCXXXKQAWOW-VIFPVBQESA-N 0 0 225.244 2.399 20 5 BEBDRN CC1=C[C@@H](Oc2cccc([N+](=O)[O-])c2)CC(=O)O1 ZINC001226763573 975063258 /nfs/dbraw/zinc/06/32/58/975063258.db2.gz WPLPAAVMORSTIM-LLVKDONJSA-N 0 0 249.222 2.193 20 5 BEBDRN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCO1 ZINC001173226006 975073186 /nfs/dbraw/zinc/07/31/86/975073186.db2.gz KNDKIHITRGXKQP-JTQLQIEISA-N 0 0 236.271 2.163 20 5 BEBDRN [CH2]CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173221608 975075304 /nfs/dbraw/zinc/07/53/04/975075304.db2.gz NZUHGVMEEIWUNW-SNVBAGLBSA-N 0 0 221.280 2.340 20 5 BEBDRN COC[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC001226840421 975116916 /nfs/dbraw/zinc/11/69/16/975116916.db2.gz DVIBDDHLSGYCHE-VIFPVBQESA-N 0 0 225.244 2.317 20 5 BEBDRN Cc1cc(O[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC001226841461 975119200 /nfs/dbraw/zinc/11/92/00/975119200.db2.gz MIVZPGKBKGTINU-NSHDSACASA-N 0 0 237.255 2.461 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(Cl)cc1OC1COC1 ZINC001226908065 975146702 /nfs/dbraw/zinc/14/67/02/975146702.db2.gz BMVLCWYYFXARDU-UHFFFAOYSA-N 0 0 247.609 2.165 20 5 BEBDRN Cc1ccc(O[C@H]2COC[C@@H]2C)cc1[N+](=O)[O-] ZINC001226950908 975180302 /nfs/dbraw/zinc/18/03/02/975180302.db2.gz QMCHWAXQOGVHNH-CABZTGNLSA-N 0 0 237.255 2.317 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1O[C@H]1CCCOC1 ZINC001226968642 975196017 /nfs/dbraw/zinc/19/60/17/975196017.db2.gz HLHLLBMZENGLDZ-JTQLQIEISA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC[C@@H]1CCCO1 ZINC001226969324 975196273 /nfs/dbraw/zinc/19/62/73/975196273.db2.gz NARDANLHTVBVBU-JTQLQIEISA-N 0 0 237.255 2.461 20 5 BEBDRN CCO[C@@H](C)COc1nc(C)ccc1[N+](=O)[O-] ZINC001227064206 975249347 /nfs/dbraw/zinc/24/93/47/975249347.db2.gz LCUMIKJQKKNZHN-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1ccnc(C)c1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001227263381 975340578 /nfs/dbraw/zinc/34/05/78/975340578.db2.gz GAWQJNTUQCYKES-LLVKDONJSA-N 0 0 236.271 2.133 20 5 BEBDRN C[C@@H]1COCC[C@@H]1Oc1ccccc1[N+](=O)[O-] ZINC001227484595 975467243 /nfs/dbraw/zinc/46/72/43/975467243.db2.gz SRWCFKYFAFFTRB-KOLCDFICSA-N 0 0 237.255 2.399 20 5 BEBDRN O=[N+]([O-])c1ccc2[nH]c(OC3CCC3)nc2c1 ZINC001227747179 975672584 /nfs/dbraw/zinc/67/25/84/975672584.db2.gz XZAKEHHBDWAHQP-UHFFFAOYSA-N 0 0 233.227 2.402 20 5 BEBDRN O=[N+]([O-])c1c(Cl)ccnc1OC1CC1 ZINC001228018073 975855172 /nfs/dbraw/zinc/85/51/72/975855172.db2.gz UWYQVMUYZDXLCW-UHFFFAOYSA-N 0 0 214.608 2.184 20 5 BEBDRN CCC[C@H](CC)Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228142262 975937108 /nfs/dbraw/zinc/93/71/08/975937108.db2.gz CBEYYVMGKSFJEW-ZETCQYMHSA-N 0 0 241.247 2.048 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cc(O[C@@H]2CCOC2)c1 ZINC001228256635 976025226 /nfs/dbraw/zinc/02/52/26/976025226.db2.gz YVUNDHNNCNYZOR-SECBINFHSA-N 0 0 243.646 2.416 20 5 BEBDRN Cc1ccc(O[C@H](C[N+](=O)[O-])C2CC2)nc1C ZINC001228297265 976082253 /nfs/dbraw/zinc/08/22/53/976082253.db2.gz BGPMGEIAGAPNDD-LLVKDONJSA-N 0 0 236.271 2.133 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NC1CCC=CCC1 ZINC001333837104 976114099 /nfs/dbraw/zinc/11/40/99/976114099.db2.gz AKZJEOASHDWNDB-UHFFFAOYSA-N 0 0 236.275 2.239 20 5 BEBDRN O=[N+]([O-])c1cncnc1O[C@@H]1CC2CCC1CC2 ZINC001228655276 976412595 /nfs/dbraw/zinc/41/25/95/976412595.db2.gz QASGLHROBXJARW-NWGYLPEXSA-N 0 0 249.270 2.342 20 5 BEBDRN CC(C)C(Oc1ncncc1[N+](=O)[O-])C(C)C ZINC001228655879 976413225 /nfs/dbraw/zinc/41/32/25/976413225.db2.gz XAHGFWMLVFLCPF-UHFFFAOYSA-N 0 0 239.275 2.444 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC[C@H](O)C2CC2)s1 ZINC001334336105 976453918 /nfs/dbraw/zinc/45/39/18/976453918.db2.gz MMMQQYMXUVFHAP-QMMMGPOBSA-N 0 0 242.300 2.229 20 5 BEBDRN Cc1cc(OC[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001228833407 976509035 /nfs/dbraw/zinc/50/90/35/976509035.db2.gz KLXULWRNCWJRAL-NSHDSACASA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cc(OC[C@H]2CCO2)cc([N+](=O)[O-])c1 ZINC001228833780 976510825 /nfs/dbraw/zinc/51/08/25/976510825.db2.gz PUTHLKJSIBUOST-SNVBAGLBSA-N 0 0 223.228 2.071 20 5 BEBDRN CCCOC[C@@H](C)Oc1cnccc1[N+](=O)[O-] ZINC001228880194 976547220 /nfs/dbraw/zinc/54/72/20/976547220.db2.gz QWHQAZRQDQECHY-SECBINFHSA-N 0 0 240.259 2.184 20 5 BEBDRN COC[C@H](C)Oc1ccc([N+](=O)[O-])cc1C ZINC001228915284 976571868 /nfs/dbraw/zinc/57/18/68/976571868.db2.gz BPBAOFAJVODLEA-VIFPVBQESA-N 0 0 225.244 2.317 20 5 BEBDRN COC[C@H](C)Oc1ccc([N+](=O)[O-])c(Cl)n1 ZINC001228934134 976588108 /nfs/dbraw/zinc/58/81/08/976588108.db2.gz MKBUDEDKRPAJKI-LURJTMIESA-N 0 0 246.650 2.057 20 5 BEBDRN CO[C@H](C)COc1ccc([N+](=O)[O-])c(Cl)n1 ZINC001228934087 976590973 /nfs/dbraw/zinc/59/09/73/976590973.db2.gz LNHCTLITOCOUFE-ZCFIWIBFSA-N 0 0 246.650 2.057 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1ncccc1C1CC1)C1CC1 ZINC001229014079 976655390 /nfs/dbraw/zinc/65/53/90/976655390.db2.gz AKRALICUIAMTPH-GFCCVEGCSA-N 0 0 248.282 2.393 20 5 BEBDRN CC(=O)[C@@H](C)Oc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001229113860 976741888 /nfs/dbraw/zinc/74/18/88/976741888.db2.gz GHXGOXBUPCQWEV-QROSGCPLSA-N 0 0 235.239 2.290 20 5 BEBDRN C[C@H]1COC[C@@H]1Oc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001229118819 976756242 /nfs/dbraw/zinc/75/62/42/976756242.db2.gz JGPVKCQFXUKJQC-UVTYEAHQSA-N 0 0 249.266 2.348 20 5 BEBDRN Cc1ncc(Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC001174475705 976794197 /nfs/dbraw/zinc/79/41/97/976794197.db2.gz PIXZENZRQMZJOQ-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN COCn1cc(Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC001174477675 976796329 /nfs/dbraw/zinc/79/63/29/976796329.db2.gz UKAZIVXWZDKNIJ-UHFFFAOYSA-N 0 0 248.242 2.139 20 5 BEBDRN O=[N+]([O-])c1ccc(O)c(OC2CCC2)c1 ZINC001229398557 976858056 /nfs/dbraw/zinc/85/80/56/976858056.db2.gz VORFCFYWLNMVHX-UHFFFAOYSA-N 0 0 209.201 2.232 20 5 BEBDRN Cc1cc(O[C@@H]2CCOC2)cc(C)c1[N+](=O)[O-] ZINC001229466532 976875226 /nfs/dbraw/zinc/87/52/26/976875226.db2.gz QITDWKAMHBMEAD-SNVBAGLBSA-N 0 0 237.255 2.379 20 5 BEBDRN Cc1cc(O)c(OC2CC2)cc1[N+](=O)[O-] ZINC001229755187 976977626 /nfs/dbraw/zinc/97/76/26/976977626.db2.gz XICOTVMPEDUFTO-UHFFFAOYSA-N 0 0 209.201 2.150 20 5 BEBDRN O=[N+]([O-])c1cc(OC2COC2)ccc1Cl ZINC001229962407 977041451 /nfs/dbraw/zinc/04/14/51/977041451.db2.gz ZVOKYASTLJBVSN-UHFFFAOYSA-N 0 0 229.619 2.026 20 5 BEBDRN Cc1ccc(OC2CCOCC2)c([N+](=O)[O-])c1 ZINC001230143323 977118115 /nfs/dbraw/zinc/11/81/15/977118115.db2.gz JTWYOXYXHGTICY-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1ccc(O[C@@H]2COC[C@H]2F)c([N+](=O)[O-])c1 ZINC001230143257 977119561 /nfs/dbraw/zinc/11/95/61/977119561.db2.gz IEOLYAVZXGNGTE-LDYMZIIASA-N 0 0 241.218 2.019 20 5 BEBDRN O=[N+]([O-])c1ccc(F)c(Nc2ccnnc2)c1 ZINC001175735355 977669914 /nfs/dbraw/zinc/66/99/14/977669914.db2.gz FEQXDTDDZQBDAG-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN Cc1cnn(-c2ccc(/C=C/[N+](=O)[O-])cc2)c1N ZINC001175900335 977811927 /nfs/dbraw/zinc/81/19/27/977811927.db2.gz PITHJIOBUVPECF-VOTSOKGWSA-N 0 0 244.254 2.010 20 5 BEBDRN Cn1cc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)cn1 ZINC001175900587 977812805 /nfs/dbraw/zinc/81/28/05/977812805.db2.gz QJMXXIRHNHCTSN-VOTSOKGWSA-N 0 0 244.254 2.411 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@H]2C(F)F)s1 ZINC001336765794 977934980 /nfs/dbraw/zinc/93/49/80/977934980.db2.gz BFVPNCGCDSKOJA-YFKPBYRVSA-N 0 0 249.242 2.285 20 5 BEBDRN Cc1c(OC(=O)[C@@H]2C[C@@H]2F)cccc1[N+](=O)[O-] ZINC001336815769 977980543 /nfs/dbraw/zinc/98/05/43/977980543.db2.gz LNNDCICNWRPLGZ-SFYZADRCSA-N 0 0 239.202 2.167 20 5 BEBDRN Cc1ccc(NC(=O)[C@H]2C[C@H]2C)c(N)c1[N+](=O)[O-] ZINC001337456693 978346021 /nfs/dbraw/zinc/34/60/21/978346021.db2.gz BTUPXLWRWSQNHQ-SFYZADRCSA-N 0 0 249.270 2.080 20 5 BEBDRN CC[C@@H](C)CCC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001177810927 978447286 /nfs/dbraw/zinc/44/72/86/978447286.db2.gz YFTZCTHGOPQRIC-SSDOTTSWSA-N 0 0 240.263 2.083 20 5 BEBDRN CCCCCCC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001177806336 978447873 /nfs/dbraw/zinc/44/78/73/978447873.db2.gz NCDWSHKNYVVAEA-UHFFFAOYSA-N 0 0 240.263 2.227 20 5 BEBDRN Nc1cc(N[C@@H]2CCC[C@@H]3C[C@@H]32)ncc1[N+](=O)[O-] ZINC001337908072 978559870 /nfs/dbraw/zinc/55/98/70/978559870.db2.gz CHCGYUYPEYNCIV-KHQFGBGNSA-N 0 0 248.286 2.173 20 5 BEBDRN O=[N+]([O-])c1cccc(OC2CCC2)c1[N+](=O)[O-] ZINC001233574119 978630299 /nfs/dbraw/zinc/63/02/99/978630299.db2.gz GHRWBDGAXJSSGH-UHFFFAOYSA-N 0 0 238.199 2.434 20 5 BEBDRN C=CC(=O)N1CCCCc2ccc([N+](=O)[O-])cc21 ZINC001338393296 978672132 /nfs/dbraw/zinc/67/21/32/978672132.db2.gz FLBVJRFTIKQENZ-UHFFFAOYSA-N 0 0 246.266 2.450 20 5 BEBDRN O=[N+]([O-])c1cc(OC2CCSCC2)ccn1 ZINC001233855364 978713483 /nfs/dbraw/zinc/71/34/83/978713483.db2.gz QQMPTTNHANCQOV-UHFFFAOYSA-N 0 0 240.284 2.264 20 5 BEBDRN O=[N+]([O-])c1cc(OC2CC=CC2)ccn1 ZINC001233856263 978714568 /nfs/dbraw/zinc/71/45/68/978714568.db2.gz AOAPVSWFDQLWSG-UHFFFAOYSA-N 0 0 206.201 2.087 20 5 BEBDRN O=[N+]([O-])c1cc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)ccn1 ZINC001233856748 978715220 /nfs/dbraw/zinc/71/52/20/978715220.db2.gz FVFMSWNPWJKCIN-IQJOONFLSA-N 0 0 232.239 2.333 20 5 BEBDRN CC(=O)[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1F ZINC001234060519 978763710 /nfs/dbraw/zinc/76/37/10/978763710.db2.gz QLEFVXONNXLPGT-QMMMGPOBSA-N 0 0 241.218 2.399 20 5 BEBDRN CC[C@@H](Nc1cc(N)c([N+](=O)[O-])cn1)C1CC1 ZINC001339774807 978910493 /nfs/dbraw/zinc/91/04/93/978910493.db2.gz UOMASPNWNRYRQO-SECBINFHSA-N 0 0 236.275 2.173 20 5 BEBDRN Cc1cc(OC2COC2)c(C)c(C)c1[N+](=O)[O-] ZINC001234871769 978921755 /nfs/dbraw/zinc/92/17/55/978921755.db2.gz MTTASUBZQBIVGH-UHFFFAOYSA-N 0 0 237.255 2.298 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(O[C@H]2C=CCC2)n1 ZINC001234880734 978924363 /nfs/dbraw/zinc/92/43/63/978924363.db2.gz GOJCATYJIDRINU-QMMMGPOBSA-N 0 0 236.227 2.096 20 5 BEBDRN CC[C@@H](COC)Oc1c(C)nccc1[N+](=O)[O-] ZINC001234901654 978927443 /nfs/dbraw/zinc/92/74/43/978927443.db2.gz PNWMDANWTHOMDU-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1c[nH]c(Nc2ccccc2[N+](=O)[O-])n1 ZINC001340713563 979072154 /nfs/dbraw/zinc/07/21/54/979072154.db2.gz MHCOUESAZGIICP-UHFFFAOYSA-N 0 0 218.216 2.370 20 5 BEBDRN Cc1cccnc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203560918 979768682 /nfs/dbraw/zinc/76/86/82/979768682.db2.gz QXDOIKCIYNSPJJ-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)/C=C1\CC[C@H](C)C1 ZINC001344401779 980387058 /nfs/dbraw/zinc/38/70/58/980387058.db2.gz FHDVFDRJHQLLEF-YZMGIVQGSA-N 0 0 241.287 2.331 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])[C@H]1CCC=CCCC1 ZINC001344468993 980401661 /nfs/dbraw/zinc/40/16/61/980401661.db2.gz JUDVZTXCWOTRGH-NSHDSACASA-N 0 0 241.287 2.333 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)/C=C\C(C)(C)C ZINC001345011279 980518340 /nfs/dbraw/zinc/51/83/40/980518340.db2.gz SQGXKULPDWGUJH-NMTCXDENSA-N 0 0 229.276 2.187 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C1CC(C)(C)C1 ZINC001345689846 980671858 /nfs/dbraw/zinc/67/18/58/980671858.db2.gz PSALEVDYODROJZ-SECBINFHSA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C12CCC(CC1)C2 ZINC001345690694 980671922 /nfs/dbraw/zinc/67/19/22/980671922.db2.gz ZTPPWNVJZJXDOX-SQLBVSGCSA-N 0 0 241.287 2.165 20 5 BEBDRN CCC[C@@H](C)CC(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001345695801 980673248 /nfs/dbraw/zinc/67/32/48/980673248.db2.gz XSIWSHVDEWQVCD-ZJUUUORDSA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@H](COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)[N+](=O)[O-] ZINC001346122953 980759561 /nfs/dbraw/zinc/75/95/61/980759561.db2.gz HDPJSCNXHMICDB-VPOLOUISSA-N 0 0 241.287 2.021 20 5 BEBDRN CCC(CC)C(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001346197839 980782424 /nfs/dbraw/zinc/78/24/24/980782424.db2.gz OCYHZLGHFRABHV-SECBINFHSA-N 0 0 217.265 2.021 20 5 BEBDRN O=[N+]([O-])c1cnn(CC/C=C/c2ccccc2)n1 ZINC001189945798 980836432 /nfs/dbraw/zinc/83/64/32/980836432.db2.gz JWVZODDBCOSSLZ-XBXARRHUSA-N 0 0 244.254 2.290 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CC(C)(C)C1CC1 ZINC001347429686 981075184 /nfs/dbraw/zinc/07/51/84/981075184.db2.gz GDVKSHYXGSWYSI-SNVBAGLBSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(F)cc1 ZINC001347430902 981078702 /nfs/dbraw/zinc/07/87/02/981078702.db2.gz RJRPOVAGILJVGL-SNVBAGLBSA-N 0 0 241.218 2.038 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@@H](C)C1CC1 ZINC001349805194 981753864 /nfs/dbraw/zinc/75/38/64/981753864.db2.gz GEEMIHRLHGFBCR-PSASIEDQSA-N 0 0 229.276 2.021 20 5 BEBDRN O=[N+]([O-])c1ncn(Cc2ccccc2C2CC2)n1 ZINC001349824160 981777123 /nfs/dbraw/zinc/77/71/23/981777123.db2.gz PRSXEMDSOVIILC-UHFFFAOYSA-N 0 0 244.254 2.112 20 5 BEBDRN Cc1cc(NC(=O)N2CC(C)C2)cc([N+](=O)[O-])c1 ZINC001350261977 981904704 /nfs/dbraw/zinc/90/47/04/981904704.db2.gz DSUWNCWPMIJGTC-UHFFFAOYSA-N 0 0 249.270 2.387 20 5 BEBDRN Cc1c(NC(=O)[C@H]2C[C@@H]2F)cccc1[N+](=O)[O-] ZINC001354119664 983163904 /nfs/dbraw/zinc/16/39/04/983163904.db2.gz CWUWDCAVUGVICV-YUMQZZPRSA-N 0 0 238.218 2.200 20 5 BEBDRN Cc1c(NCc2cccc([N+](=O)[O-])c2)cnn1C ZINC001201693497 983437761 /nfs/dbraw/zinc/43/77/61/983437761.db2.gz LYZPICJTXHOOIH-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN CC(C)CCCO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001205971310 984134753 /nfs/dbraw/zinc/13/47/53/984134753.db2.gz STVCLJZSGDEKAI-NSHDSACASA-N 0 0 215.293 2.495 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C#N ZINC001435962285 984306712 /nfs/dbraw/zinc/30/67/12/984306712.db2.gz NTGZJBAWVLEEKP-UHFFFAOYSA-N 0 0 247.254 2.073 20 5 BEBDRN O=C(NC/C=C\Cl)c1ccc([N+](=O)[O-])s1 ZINC001439927889 984397619 /nfs/dbraw/zinc/39/76/19/984397619.db2.gz XDMZRCFJLFQRGO-RJRFIUFISA-N 0 0 246.675 2.139 20 5 BEBDRN Cc1ccc(Nc2nn(C)cc2[N+](=O)[O-])cc1 ZINC001458063061 985258994 /nfs/dbraw/zinc/25/89/94/985258994.db2.gz NIZKWEBFPWDNQX-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN C[C@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000688025515 985502695 /nfs/dbraw/zinc/50/26/95/985502695.db2.gz PKBNZRATWBKLPK-WRWORJQWSA-N 0 0 240.234 2.181 20 5 BEBDRN CN(C[Si](C)(C)C)c1ncccc1[N+](=O)[O-] ZINC001472883415 987298744 /nfs/dbraw/zinc/29/87/44/987298744.db2.gz SXZQBLLUGPLVKU-UHFFFAOYSA-N 0 0 239.351 2.303 20 5 BEBDRN CCOCc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001117204105 987801543 /nfs/dbraw/zinc/80/15/43/987801543.db2.gz DZKCSGAPELXUKH-UHFFFAOYSA-N 0 0 249.226 2.181 20 5 BEBDRN CC(C)(CCC(=O)N1CCC(C)(C)C1)[N+](=O)[O-] ZINC001117798310 987927400 /nfs/dbraw/zinc/92/74/00/987927400.db2.gz PYXHKOBFRLHMBN-UHFFFAOYSA-N 0 0 242.319 2.080 20 5 BEBDRN CC1(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC001322989538 988421599 /nfs/dbraw/zinc/42/15/99/988421599.db2.gz ZUVUEMUTQCNUAR-QPJJXVBHSA-N 0 0 246.266 2.277 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC/C=C/C1CC1 ZINC001324258875 988771303 /nfs/dbraw/zinc/77/13/03/988771303.db2.gz SANYEEZLGBZEFV-NSCUHMNNSA-N 0 0 233.271 2.098 20 5 BEBDRN O=C(NC/C=C\C1CC1)c1ccccc1[N+](=O)[O-] ZINC001324601560 988887233 /nfs/dbraw/zinc/88/72/33/988887233.db2.gz QARYQHMNAZUFIB-ARJAWSKDSA-N 0 0 246.266 2.291 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1ccccn1 ZINC001248745769 989139460 /nfs/dbraw/zinc/13/94/60/989139460.db2.gz HHKCUFYQEAKPJO-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1nn(C)cc1Nc1cc([N+](=O)[O-])cnc1C ZINC001248746541 989139510 /nfs/dbraw/zinc/13/95/10/989139510.db2.gz MDZBGYQKWYJHJU-UHFFFAOYSA-N 0 0 247.258 2.084 20 5 BEBDRN CCn1nccc1Nc1cc([N+](=O)[O-])cnc1C ZINC001248744975 989140046 /nfs/dbraw/zinc/14/00/46/989140046.db2.gz ATDMVVZLGXMDOT-UHFFFAOYSA-N 0 0 247.258 2.258 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1ncco1 ZINC001248746351 989141750 /nfs/dbraw/zinc/14/17/50/989141750.db2.gz LCFWVICUYRVJHK-UHFFFAOYSA-N 0 0 220.188 2.030 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001517179333 989207874 /nfs/dbraw/zinc/20/78/74/989207874.db2.gz MIPMEAKPOHUNJM-UMNHJUIQSA-N 0 0 241.287 2.165 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC12CC2 ZINC001517179456 989208256 /nfs/dbraw/zinc/20/82/56/989208256.db2.gz NVRMMKGYNCYPLN-VHSXEESVSA-N 0 0 241.287 2.165 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CCC1(C)CC1 ZINC001517179443 989209711 /nfs/dbraw/zinc/20/97/11/989209711.db2.gz NTYKGSNHCMYFJP-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN CCN(C)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001517935778 989256907 /nfs/dbraw/zinc/25/69/07/989256907.db2.gz DBXFSUBNFWVMAP-UHFFFAOYSA-N 0 0 237.259 2.387 20 5 BEBDRN CCNC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001517937166 989259190 /nfs/dbraw/zinc/25/91/90/989259190.db2.gz QSTHDMHHTKULMU-UHFFFAOYSA-N 0 0 223.232 2.045 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@]1(C)CC=CCC1 ZINC001520098973 989507742 /nfs/dbraw/zinc/50/77/42/989507742.db2.gz BLSFJQYMUJLGNA-PWSUYJOCSA-N 0 0 241.287 2.331 20 5 BEBDRN Cc1nc(N[C@@H]2C[C@H]3CCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001119984558 989541703 /nfs/dbraw/zinc/54/17/03/989541703.db2.gz WHCCIMCQKLXZAL-KXUCPTDWSA-N 0 0 248.286 2.294 20 5 BEBDRN CC[C@H](F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001120567546 989739031 /nfs/dbraw/zinc/73/90/31/989739031.db2.gz LKTXCVRJWZMDGN-VIFPVBQESA-N 0 0 226.207 2.281 20 5 BEBDRN CCC(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001531925055 990399612 /nfs/dbraw/zinc/39/96/12/990399612.db2.gz ITMBIVGMHDPMEB-UHFFFAOYSA-N 0 0 245.238 2.492 20 5 BEBDRN CC(C)(COC(=O)CCC1(C)CC1)[N+](=O)[O-] ZINC001123162688 990523075 /nfs/dbraw/zinc/52/30/75/990523075.db2.gz CWBDNIWSHGMJBI-UHFFFAOYSA-N 0 0 229.276 2.165 20 5 BEBDRN CC[C@H](C)CC(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001123354549 990554014 /nfs/dbraw/zinc/55/40/14/990554014.db2.gz BAPXGMWRDCRODR-IUCAKERBSA-N 0 0 217.265 2.021 20 5 BEBDRN CCC(=CC(=O)O[C@@H](CC)C[N+](=O)[O-])CC ZINC001123256400 990535702 /nfs/dbraw/zinc/53/57/02/990535702.db2.gz PIFPRUCMLOEMLS-JTQLQIEISA-N 0 0 229.276 2.331 20 5 BEBDRN CCC[C@H](C)C(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001123356018 990548257 /nfs/dbraw/zinc/54/82/57/990548257.db2.gz ZBJQMVSSQSRJAH-IUCAKERBSA-N 0 0 217.265 2.021 20 5 BEBDRN CC(F)(F)CNc1cc([N+](=O)[O-])ccn1 ZINC000829300888 990850892 /nfs/dbraw/zinc/85/08/92/990850892.db2.gz SAZPLUDYSYKBEK-UHFFFAOYSA-N 0 0 217.175 2.057 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1C[C@H](C)[C@@H](C)C1 ZINC001258098634 991008149 /nfs/dbraw/zinc/00/81/49/991008149.db2.gz XECQPGTVVFOXEH-UWVGGRQHSA-N 0 0 235.287 2.390 20 5 BEBDRN Cc1c(Nc2ccsc2[N+](=O)[O-])cnn1C ZINC001559138232 991043013 /nfs/dbraw/zinc/04/30/13/991043013.db2.gz CLSPSDZPLOZHEH-UHFFFAOYSA-N 0 0 238.272 2.442 20 5 BEBDRN CN(Cc1cn[nH]c1)c1sccc1[N+](=O)[O-] ZINC001559274773 991064362 /nfs/dbraw/zinc/06/43/62/991064362.db2.gz JRRDWKKBUVCAAK-UHFFFAOYSA-N 0 0 238.272 2.016 20 5 BEBDRN CC(=O)OCSc1ccc([N+](=O)[O-])cc1F ZINC001559396041 991092773 /nfs/dbraw/zinc/09/27/73/991092773.db2.gz ULSBFUAYNFRXPF-UHFFFAOYSA-N 0 0 245.231 2.347 20 5 BEBDRN O=C(OCCF)Oc1c(F)cccc1[N+](=O)[O-] ZINC001561447178 991723428 /nfs/dbraw/zinc/72/34/28/991723428.db2.gz REGIYSUXTBIKLE-UHFFFAOYSA-N 0 0 247.153 2.219 20 5 BEBDRN Cc1nc(NC(C)(C)C(F)F)ncc1[N+](=O)[O-] ZINC001261261435 992234568 /nfs/dbraw/zinc/23/45/68/992234568.db2.gz VSRGMWBIVXAWAX-UHFFFAOYSA-N 0 0 246.217 2.149 20 5 BEBDRN Cc1ccc(NC(=O)CC2CC2)c(N)c1[N+](=O)[O-] ZINC001262645184 992996875 /nfs/dbraw/zinc/99/68/75/992996875.db2.gz VCWLBYJNJUQZKF-UHFFFAOYSA-N 0 0 249.270 2.224 20 5 BEBDRN Nc1cc(NCC2=CCCC2)ncc1[N+](=O)[O-] ZINC001262702249 993045284 /nfs/dbraw/zinc/04/52/84/993045284.db2.gz NVQDXNFVYIBEBE-UHFFFAOYSA-N 0 0 234.259 2.094 20 5 BEBDRN Cc1cccc(NC2CSC2)c1[N+](=O)[O-] ZINC000702347815 993989464 /nfs/dbraw/zinc/98/94/64/993989464.db2.gz AAUDAFZFMGNZCC-UHFFFAOYSA-N 0 0 224.285 2.431 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)nc(NC2CSC2)c1 ZINC000702435286 994011737 /nfs/dbraw/zinc/01/17/37/994011737.db2.gz WPSYVWQGYZOXLL-UHFFFAOYSA-N 0 0 245.691 2.171 20 5 BEBDRN Cc1ccc(Nc2c([N+](=O)[O-])cnn2C)cc1 ZINC001306914606 995273782 /nfs/dbraw/zinc/27/37/82/995273782.db2.gz YPYCHRAXOVGRAE-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN CC[C@H](COc1ccsc1[N+](=O)[O-])OC ZINC001307345787 995331422 /nfs/dbraw/zinc/33/14/22/995331422.db2.gz PDMZXUPHDONOHB-SSDOTTSWSA-N 0 0 231.273 2.460 20 5 BEBDRN Cc1c[nH]c(Nc2ncc([N+](=O)[O-])cc2C)n1 ZINC001472725513 1170042608 /nfs/dbraw/zinc/04/26/08/1170042608.db2.gz GECBUJJMPIWSFV-UHFFFAOYSA-N 0 0 233.231 2.073 20 5 BEBDRN COc1ccc(Oc2cccnc2[N+](=O)[O-])cn1 ZINC001612649178 1170463468 /nfs/dbraw/zinc/46/34/68/1170463468.db2.gz XCNOSTRPTFLADO-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN O=c1ccn(CC=C(Cl)Cl)cc1[N+](=O)[O-] ZINC001613573913 1170479656 /nfs/dbraw/zinc/47/96/56/1170479656.db2.gz MKVRDQKNSZDHQT-UHFFFAOYSA-N 0 0 249.053 2.076 20 5 BEBDRN O=[N+]([O-])c1sccc1OCC1CCOCC1 ZINC001613792300 1170486068 /nfs/dbraw/zinc/48/60/68/1170486068.db2.gz GFCFIINCRUDGSN-UHFFFAOYSA-N 0 0 243.284 2.462 20 5 BEBDRN Cc1ccc(OC(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC001621934930 1170871236 /nfs/dbraw/zinc/87/12/36/1170871236.db2.gz RJAYFDCVYLANEM-UHFFFAOYSA-N 0 0 249.144 2.371 20 5 BEBDRN Cc1cc(CNc2cccc([N+](=O)[O-])c2)ncn1 ZINC000339703583 178043141 /nfs/dbraw/zinc/04/31/41/178043141.db2.gz SJGJDVIQNOBCPE-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CCCC(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000013540107 136217363 /nfs/dbraw/zinc/21/73/63/136217363.db2.gz RANXQNXWSFGIES-UHFFFAOYSA-N 0 0 209.201 2.300 20 5 BEBDRN Cc1cc(N(C)CC[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000078416422 178099315 /nfs/dbraw/zinc/09/93/15/178099315.db2.gz OTJNNDYHRAMFFS-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1cc(N2CC(F)C2)c(F)cc1[N+](=O)[O-] ZINC000336498543 178113499 /nfs/dbraw/zinc/11/34/99/178113499.db2.gz XXDPTGSSMYCEPJ-UHFFFAOYSA-N 0 0 228.198 2.200 20 5 BEBDRN Cc1cc(NC(=O)NCC2CC2)ccc1[N+](=O)[O-] ZINC000193624109 178138931 /nfs/dbraw/zinc/13/89/31/178138931.db2.gz NENCGIUMWFZWEP-UHFFFAOYSA-N 0 0 249.270 2.435 20 5 BEBDRN Cc1cc(NC(=O)N[C@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000153785138 178142458 /nfs/dbraw/zinc/14/24/58/178142458.db2.gz XWEMHXBMNSJPQY-XVKPBYJWSA-N 0 0 249.270 2.433 20 5 BEBDRN Cc1cc(NCc2ccccc2[N+](=O)[O-])ncn1 ZINC000050015858 178173797 /nfs/dbraw/zinc/17/37/97/178173797.db2.gz NZPNUSICGFRPAD-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cc(N[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000271339749 178189342 /nfs/dbraw/zinc/18/93/42/178189342.db2.gz RIDZEJZPCKLGPR-JQWIXIFHSA-N 0 0 236.271 2.229 20 5 BEBDRN Cc1cc(O[C@@H](C)[C@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000123649832 178213361 /nfs/dbraw/zinc/21/33/61/178213361.db2.gz YGJAORBQOFTGHU-YUMQZZPRSA-N 0 0 243.234 2.190 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NCc1ccncc1 ZINC000052812256 178274432 /nfs/dbraw/zinc/27/44/32/178274432.db2.gz GZGSCOYVHFUZLS-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NC1CCC1 ZINC000052812918 178274090 /nfs/dbraw/zinc/27/40/90/178274090.db2.gz ASRPYACKHRDDLW-UHFFFAOYSA-N 0 0 207.233 2.263 20 5 BEBDRN CCc1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000073665204 343991732 /nfs/dbraw/zinc/99/17/32/343991732.db2.gz HXYVCSDCNGXNHX-UHFFFAOYSA-N 0 0 249.226 2.119 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)[C@@H](C)C1 ZINC000267728210 178274260 /nfs/dbraw/zinc/27/42/60/178274260.db2.gz VLFBFSHPNLGXGJ-UWVGGRQHSA-N 0 0 235.287 2.390 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](C)C1 ZINC000299720383 178271031 /nfs/dbraw/zinc/27/10/31/178271031.db2.gz MQZYVPBWIIGAPB-SECBINFHSA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[C@H]1C ZINC000299577304 178271951 /nfs/dbraw/zinc/27/19/51/178271951.db2.gz DBWCXAVJKSFWGB-SCZZXKLOSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@@H](O)C1CC1 ZINC000071306159 178272405 /nfs/dbraw/zinc/27/24/05/178272405.db2.gz BAKKDGJOQQNDGF-GFCCVEGCSA-N 0 0 236.271 2.086 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCC[N@@H+](C)C1CC1 ZINC000062010351 178272560 /nfs/dbraw/zinc/27/25/60/178272560.db2.gz ZIWYKEZSZICVPF-UHFFFAOYSA-N 0 0 249.314 2.409 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OC[C@@H]1CCCO1 ZINC000178988936 178272758 /nfs/dbraw/zinc/27/27/58/178272758.db2.gz QMRQSHVHSNYUSE-NSHDSACASA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCCn1ccnc1 ZINC000041120012 178272855 /nfs/dbraw/zinc/27/28/55/178272855.db2.gz OFGGLYSVCZDEKU-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCCC(C)(C)O ZINC000274798470 178273251 /nfs/dbraw/zinc/27/32/51/178273251.db2.gz UGXZEZRXOZRCBX-UHFFFAOYSA-N 0 0 238.287 2.476 20 5 BEBDRN O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000600185337 342698107 /nfs/dbraw/zinc/69/81/07/342698107.db2.gz LFDLGFUDROYOOT-PHIMTYICSA-N 0 0 218.256 2.047 20 5 BEBDRN CSCCN(C)c1cc(C)c([N+](=O)[O-])cn1 ZINC000301560113 398284689 /nfs/dbraw/zinc/28/46/89/398284689.db2.gz JXIQKMGSJPFFDB-UHFFFAOYSA-N 0 0 241.316 2.097 20 5 BEBDRN C[C@H](CCO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000077226274 398307078 /nfs/dbraw/zinc/30/70/78/398307078.db2.gz ZGGSYCPBZGHESQ-SSDOTTSWSA-N 0 0 244.678 2.431 20 5 BEBDRN C[C@H](CO)[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000077228102 398307557 /nfs/dbraw/zinc/30/75/57/398307557.db2.gz LFBDPJRKVWMIDV-BDAKNGLRSA-N 0 0 224.260 2.024 20 5 BEBDRN O=[N+]([O-])c1ccc(CSCCCO)cc1 ZINC000058258134 398323373 /nfs/dbraw/zinc/32/33/73/398323373.db2.gz VPWHODGEKASSNP-UHFFFAOYSA-N 0 0 227.285 2.210 20 5 BEBDRN COC[C@H](C)N(C)c1ccccc1[N+](=O)[O-] ZINC000171987789 398329316 /nfs/dbraw/zinc/32/93/16/398329316.db2.gz ZZDIGQFYMOYMRW-VIFPVBQESA-N 0 0 224.260 2.066 20 5 BEBDRN C[C@@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000230696344 346880257 /nfs/dbraw/zinc/88/02/57/346880257.db2.gz NMDZBNAVSBSSKD-BDAKNGLRSA-N 0 0 236.275 2.233 20 5 BEBDRN CC(C)[C@@H](O)CNc1sccc1[N+](=O)[O-] ZINC000308840109 346925173 /nfs/dbraw/zinc/92/51/73/346925173.db2.gz JTJOJDTUEUFZRW-QMMMGPOBSA-N 0 0 230.289 2.085 20 5 BEBDRN C[C@@](O)(CNc1ccsc1[N+](=O)[O-])C1CC1 ZINC000309957173 343109564 /nfs/dbraw/zinc/10/95/64/343109564.db2.gz IZDZAKFUOFBTJI-SNVBAGLBSA-N 0 0 242.300 2.229 20 5 BEBDRN CC[C@@H](C)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000421578314 192355311 /nfs/dbraw/zinc/35/53/11/192355311.db2.gz HXIGXJLZTCWRIP-SSDOTTSWSA-N 0 0 242.300 2.432 20 5 BEBDRN O=[N+]([O-])c1sccc1N[C@@H]1CCCOC1 ZINC000308898224 346929987 /nfs/dbraw/zinc/92/99/87/346929987.db2.gz AWHZRSHENDMLLU-SSDOTTSWSA-N 0 0 228.273 2.247 20 5 BEBDRN C[C@H](Nc1ccc([N+](=O)[O-])c2nonc21)C1CC1 ZINC000035135073 343286202 /nfs/dbraw/zinc/28/62/02/343286202.db2.gz UIVYEYQKUDQQBM-LURJTMIESA-N 0 0 248.242 2.341 20 5 BEBDRN O=[N+]([O-])c1c(Cl)cccc1OC1COC1 ZINC000165465858 343390523 /nfs/dbraw/zinc/39/05/23/343390523.db2.gz FDNNBUKMHCZMIT-UHFFFAOYSA-N 0 0 229.619 2.026 20 5 BEBDRN CN(Cc1ccoc1)c1ccc([N+](=O)[O-])cn1 ZINC000048836999 136372714 /nfs/dbraw/zinc/37/27/14/136372714.db2.gz XHLRCSIJNLNZTP-UHFFFAOYSA-N 0 0 233.227 2.219 20 5 BEBDRN O=[N+]([O-])c1ccc(Oc2cccnn2)cc1 ZINC000150273670 343481984 /nfs/dbraw/zinc/48/19/84/343481984.db2.gz PTNYCWFJKCBARP-UHFFFAOYSA-N 0 0 217.184 2.177 20 5 BEBDRN COC[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000610076878 343505794 /nfs/dbraw/zinc/50/57/94/343505794.db2.gz HFINEUXDZCYSBM-MRVPVSSYSA-N 0 0 242.300 2.129 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NC1(CC)CC1 ZINC000379449617 343520209 /nfs/dbraw/zinc/52/02/09/343520209.db2.gz JRWOLLOTCIMZTL-UHFFFAOYSA-N 0 0 238.291 2.474 20 5 BEBDRN CCC1(Nc2ccc([N+](=O)[O-])nc2)CC1 ZINC000379466713 343528857 /nfs/dbraw/zinc/52/88/57/343528857.db2.gz OYXCFLSULMGEIJ-UHFFFAOYSA-N 0 0 207.233 2.344 20 5 BEBDRN CC(C)CCN(C)c1ccc(N)c([N+](=O)[O-])n1 ZINC000310447161 343498184 /nfs/dbraw/zinc/49/81/84/343498184.db2.gz UPUAJOBAILEJLN-UHFFFAOYSA-N 0 0 238.291 2.054 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CC=CCC1 ZINC000049281754 343595494 /nfs/dbraw/zinc/59/54/94/343595494.db2.gz VCOYNYGRPRFYJN-SECBINFHSA-N 0 0 236.275 2.097 20 5 BEBDRN CC(C)C[C@@H](C)Cn1cc([N+](=O)[O-])ccc1=O ZINC000281084781 187342951 /nfs/dbraw/zinc/34/29/51/187342951.db2.gz WTRREHYLAHRHJP-SNVBAGLBSA-N 0 0 238.287 2.439 20 5 BEBDRN Cc1nnc(COc2cccc([N+](=O)[O-])c2C)o1 ZINC000059012723 343704296 /nfs/dbraw/zinc/70/42/96/343704296.db2.gz DZVOGJKOVIHHLS-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000061527059 343726099 /nfs/dbraw/zinc/72/60/99/343726099.db2.gz QXLBLKLQXPZAGQ-SECBINFHSA-N 0 0 248.282 2.052 20 5 BEBDRN CCNc1cccc(OCC)c1[N+](=O)[O-] ZINC000087840878 187272044 /nfs/dbraw/zinc/27/20/44/187272044.db2.gz XCQCPWVOMQIWSI-UHFFFAOYSA-N 0 0 210.233 2.425 20 5 BEBDRN Cc1cc(C(=O)N[C@@H]2CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000334217034 343839344 /nfs/dbraw/zinc/83/93/44/343839344.db2.gz CQWZHQIQDMAPDM-BXKDBHETSA-N 0 0 248.282 2.432 20 5 BEBDRN CC(C)(C(=O)N1CCC1)c1ccccc1[N+](=O)[O-] ZINC000334241454 343842746 /nfs/dbraw/zinc/84/27/46/343842746.db2.gz PMBSDQQITOPKJE-UHFFFAOYSA-N 0 0 248.282 2.105 20 5 BEBDRN CC1(C)[C@@H]2CN(c3ccncc3[N+](=O)[O-])C[C@@H]21 ZINC000610282046 343940296 /nfs/dbraw/zinc/94/02/96/343940296.db2.gz AMPVCRNUEGSDPM-DTORHVGOSA-N 0 0 233.271 2.082 20 5 BEBDRN CC[C@@H](O)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000127267214 344100718 /nfs/dbraw/zinc/10/07/18/344100718.db2.gz GQVUAWDNOPBMEW-LLVKDONJSA-N 0 0 238.287 2.476 20 5 BEBDRN O=C(NC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000610742162 344143548 /nfs/dbraw/zinc/14/35/48/344143548.db2.gz SJDIGRDPSWWQQD-UHFFFAOYSA-N 0 0 232.239 2.043 20 5 BEBDRN Cc1cc(COc2ccc([N+](=O)[O-])cc2)nn1C ZINC000610856588 344158581 /nfs/dbraw/zinc/15/85/81/344158581.db2.gz ISQQXTXUWRCMKK-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN C[C@H](CC1CCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000601247119 347038456 /nfs/dbraw/zinc/03/84/56/347038456.db2.gz WTZJJTOMXWZBIN-MRVPVSSYSA-N 0 0 238.291 2.319 20 5 BEBDRN C[C@@H]1COCCCN1c1ccccc1[N+](=O)[O-] ZINC000610946619 344191427 /nfs/dbraw/zinc/19/14/27/344191427.db2.gz QTFCDKZCTSHYDP-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN CC(C)C1CN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000611079382 344246111 /nfs/dbraw/zinc/24/61/11/344246111.db2.gz TVXQMKMYNSCIIE-UHFFFAOYSA-N 0 0 248.282 2.323 20 5 BEBDRN CC(C)(CCO)CNc1ccsc1[N+](=O)[O-] ZINC000309356794 347039907 /nfs/dbraw/zinc/03/99/07/347039907.db2.gz NZTSUROIDBITNR-UHFFFAOYSA-N 0 0 244.316 2.477 20 5 BEBDRN C[C@H]1C[C@H](C)N(c2ccc([N+](=O)[O-])cn2)C1 ZINC000408219387 344254456 /nfs/dbraw/zinc/25/44/56/344254456.db2.gz MVRXSBMXNQAIOZ-IUCAKERBSA-N 0 0 221.260 2.225 20 5 BEBDRN Cc1nn(C[C@H]2C[C@H]3C=C[C@@H]2C3)cc1[N+](=O)[O-] ZINC000600545489 344262648 /nfs/dbraw/zinc/26/26/48/344262648.db2.gz NZGVXHDHDDTVLP-HBNTYKKESA-N 0 0 233.271 2.312 20 5 BEBDRN C[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000611228002 344355750 /nfs/dbraw/zinc/35/57/50/344355750.db2.gz XCTQZDOYGZQPKI-ZJUUUORDSA-N 0 0 235.287 2.472 20 5 BEBDRN COCCSc1ncc([N+](=O)[O-])cc1C ZINC000092662662 344300708 /nfs/dbraw/zinc/30/07/08/344300708.db2.gz QJPBYYKSXDOOKO-UHFFFAOYSA-N 0 0 228.273 2.037 20 5 BEBDRN Cc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1C ZINC000192128214 178666234 /nfs/dbraw/zinc/66/62/34/178666234.db2.gz QMBFXKNPUSMSDR-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CC1(C)CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000584265809 344372510 /nfs/dbraw/zinc/37/25/10/344372510.db2.gz LGCCQJWZJGPBNF-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN C[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[C@@H]1C ZINC000611227966 344373476 /nfs/dbraw/zinc/37/34/76/344373476.db2.gz KETBZMGCLJQKSY-UWVGGRQHSA-N 0 0 235.287 2.472 20 5 BEBDRN Cc1ccc(SCCCO)c([N+](=O)[O-])c1 ZINC000085162760 344503047 /nfs/dbraw/zinc/50/30/47/344503047.db2.gz NYZODAVGFIFVES-UHFFFAOYSA-N 0 0 227.285 2.378 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1S[C@H](C)CCO ZINC000085142838 344503649 /nfs/dbraw/zinc/50/36/49/344503649.db2.gz JPDJVLVDQYSTHF-MRVPVSSYSA-N 0 0 242.300 2.161 20 5 BEBDRN C[C@@H](C(=O)N1CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000603266807 344472883 /nfs/dbraw/zinc/47/28/83/344472883.db2.gz NJMHICQRNSXGFE-VHSXEESVSA-N 0 0 248.282 2.319 20 5 BEBDRN C[C@H](C(=O)N1CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000603266806 344472926 /nfs/dbraw/zinc/47/29/26/344472926.db2.gz NJMHICQRNSXGFE-UWVGGRQHSA-N 0 0 248.282 2.319 20 5 BEBDRN CC1(O)CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611413524 344539020 /nfs/dbraw/zinc/53/90/20/344539020.db2.gz AIYKWXCXEBZDQV-UHFFFAOYSA-N 0 0 242.300 2.008 20 5 BEBDRN C[C@@H]1C[C@@H](C)N1c1ncc(F)cc1[N+](=O)[O-] ZINC000601157571 344565224 /nfs/dbraw/zinc/56/52/24/344565224.db2.gz AFZURNRBSBLRAS-RNFRBKRXSA-N 0 0 225.223 2.116 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2CCC2)cn1 ZINC000047873348 344582664 /nfs/dbraw/zinc/58/26/64/344582664.db2.gz FEIWQQDFZALNGP-UHFFFAOYSA-N 0 0 207.233 2.202 20 5 BEBDRN O=C(NCCCC1CC1)c1ccc([N+](=O)[O-])o1 ZINC000128049171 344726173 /nfs/dbraw/zinc/72/61/73/344726173.db2.gz RICUIMSRXRLUKK-UHFFFAOYSA-N 0 0 238.243 2.108 20 5 BEBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1F ZINC000611494065 344745304 /nfs/dbraw/zinc/74/53/04/344745304.db2.gz CFJSVNQXFMYHQR-WPRPVWTQSA-N 0 0 239.250 2.174 20 5 BEBDRN Cc1cc(N2CC=CCC2)ncc1[N+](=O)[O-] ZINC000611509914 344747407 /nfs/dbraw/zinc/74/74/07/344747407.db2.gz IZPBTCDBFOCUEG-UHFFFAOYSA-N 0 0 219.244 2.065 20 5 BEBDRN CN(c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000074775459 344758916 /nfs/dbraw/zinc/75/89/16/344758916.db2.gz JOXZVNBQKJJUSF-UHFFFAOYSA-N 0 0 236.271 2.210 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]2C)n1 ZINC000611616579 344774889 /nfs/dbraw/zinc/77/48/89/344774889.db2.gz CSDOFEDQSJAMJL-VIFPVBQESA-N 0 0 221.260 2.205 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CCCCC1 ZINC000076663850 344805349 /nfs/dbraw/zinc/80/53/49/344805349.db2.gz KYVXWOHFFRJSMK-UHFFFAOYSA-N 0 0 221.260 2.289 20 5 BEBDRN C[C@@H](O)C[C@@H](C)CNc1ccc([N+](=O)[O-])cc1 ZINC000077228968 344819103 /nfs/dbraw/zinc/81/91/03/344819103.db2.gz MDRNGZKJLAPWTC-NXEZZACHSA-N 0 0 238.287 2.414 20 5 BEBDRN C[C@@H](O)C[C@@H](C)CNc1ccccc1[N+](=O)[O-] ZINC000077229072 344819342 /nfs/dbraw/zinc/81/93/42/344819342.db2.gz XHAJRFLSTQDCST-NXEZZACHSA-N 0 0 238.287 2.414 20 5 BEBDRN Cc1cnc(Oc2cccnc2)c([N+](=O)[O-])c1 ZINC000078626446 344892249 /nfs/dbraw/zinc/89/22/49/344892249.db2.gz AKKXDDSMXRYARV-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN C[C@H]1CCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000612440058 344897457 /nfs/dbraw/zinc/89/74/57/344897457.db2.gz NHUDMJVESXJWPM-QMMMGPOBSA-N 0 0 244.254 2.137 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2nc(C3CCC3)no2)nc1 ZINC000612896927 344931295 /nfs/dbraw/zinc/93/12/95/344931295.db2.gz DANNZGQMTFHGFD-UHFFFAOYSA-N 0 0 246.226 2.307 20 5 BEBDRN Cc1noc([C@@H](C)Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000247996947 345008487 /nfs/dbraw/zinc/00/84/87/345008487.db2.gz DIORTQLXTUKWGF-SSDOTTSWSA-N 0 0 249.226 2.426 20 5 BEBDRN CC(C)N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153565891 187300065 /nfs/dbraw/zinc/30/00/65/187300065.db2.gz JWHUOCNUQUOOLK-UHFFFAOYSA-N 0 0 229.667 2.488 20 5 BEBDRN Cc1c(C(=O)NC2CC(C)C2)cccc1[N+](=O)[O-] ZINC000080050543 345090261 /nfs/dbraw/zinc/09/02/61/345090261.db2.gz MFWVXIBLKWZFAD-UHFFFAOYSA-N 0 0 248.282 2.432 20 5 BEBDRN C[C@H]1OCC[C@]1(C)Nc1ncc([N+](=O)[O-])s1 ZINC000235682976 345167889 /nfs/dbraw/zinc/16/78/89/345167889.db2.gz SITJEPSOCFNINQ-MUWHJKNJSA-N 0 0 243.288 2.031 20 5 BEBDRN C[C@H](O)C(C)(C)Nc1ccc([N+](=O)[O-])cc1F ZINC000158791760 345300897 /nfs/dbraw/zinc/30/08/97/345300897.db2.gz VGAXLRGVRZLBEV-ZETCQYMHSA-N 0 0 242.250 2.305 20 5 BEBDRN C[C@H]1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408469875 345323744 /nfs/dbraw/zinc/32/37/44/345323744.db2.gz PPYCOLLRWNVQGI-YUMQZZPRSA-N 0 0 239.250 2.364 20 5 BEBDRN Cc1ccc(N2CCSCC2)c([N+](=O)[O-])c1 ZINC000080576239 345309745 /nfs/dbraw/zinc/30/97/45/345309745.db2.gz SNAFXAJMPLRAOU-UHFFFAOYSA-N 0 0 238.312 2.456 20 5 BEBDRN CON(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000091601923 345601414 /nfs/dbraw/zinc/60/14/14/345601414.db2.gz KGURVXBYAXRMEV-UHFFFAOYSA-N 0 0 233.227 2.141 20 5 BEBDRN Cc1n[nH]cc1Nc1ncc([N+](=O)[O-])cc1C ZINC000092624779 345631923 /nfs/dbraw/zinc/63/19/23/345631923.db2.gz IQHMUAVDEPDMGA-UHFFFAOYSA-N 0 0 233.231 2.073 20 5 BEBDRN CCOCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000092963152 345649757 /nfs/dbraw/zinc/64/97/57/345649757.db2.gz AZVTXTLJSMDBLV-UHFFFAOYSA-N 0 0 238.287 2.376 20 5 BEBDRN CCOCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000092963094 345649985 /nfs/dbraw/zinc/64/99/85/345649985.db2.gz AXPZVRVYSRPTAF-UHFFFAOYSA-N 0 0 238.287 2.376 20 5 BEBDRN CCOC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000138368069 345694548 /nfs/dbraw/zinc/69/45/48/345694548.db2.gz MZTNKLFZFLDHMS-WDEREUQCSA-N 0 0 235.239 2.261 20 5 BEBDRN CC(C)N(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600990763 345778042 /nfs/dbraw/zinc/77/80/42/345778042.db2.gz VZYVEKPXPVDVCJ-UHFFFAOYSA-N 0 0 240.234 2.214 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C2CC2)c1 ZINC000266023476 178927656 /nfs/dbraw/zinc/92/76/56/178927656.db2.gz SBVLQNOKNZBLIJ-SECBINFHSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCO2)c1 ZINC000084726216 178929215 /nfs/dbraw/zinc/92/92/15/178929215.db2.gz PNEACWDJMKYABH-SNVBAGLBSA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c2[nH]cc(C=O)c21 ZINC000069476320 178930027 /nfs/dbraw/zinc/93/00/27/178930027.db2.gz ILKYFKTXIFABKK-UHFFFAOYSA-N 0 0 204.185 2.197 20 5 BEBDRN Cc1ccc(N[C@H]2C[C@@](C)(O)C2)c([N+](=O)[O-])c1 ZINC000418988398 192091765 /nfs/dbraw/zinc/09/17/65/192091765.db2.gz AQMOAYFOQKEFKB-WVSHTKLVSA-N 0 0 236.271 2.229 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCC1(O)CCC1 ZINC000339319794 178933641 /nfs/dbraw/zinc/93/36/41/178933641.db2.gz JPXZCHOUBSQFFY-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(S[C@@H](C)CO)c1 ZINC000158021774 178930868 /nfs/dbraw/zinc/93/08/68/178930868.db2.gz MWZIMMBWWHUPDW-QMMMGPOBSA-N 0 0 227.285 2.376 20 5 BEBDRN C[C@H](CNc1ncccc1[N+](=O)[O-])C1CC1 ZINC000136190731 345956780 /nfs/dbraw/zinc/95/67/80/345956780.db2.gz KEELXMYIGXNNAG-MRVPVSSYSA-N 0 0 221.260 2.448 20 5 BEBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]2C[C@@H]21 ZINC000586892286 346166510 /nfs/dbraw/zinc/16/65/10/346166510.db2.gz ULGQTANVHBBWRM-SKDRFNHKSA-N 0 0 246.266 2.219 20 5 BEBDRN CS[C@@H](C)CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401098587 346178327 /nfs/dbraw/zinc/17/83/27/346178327.db2.gz AWOQFCQEQVZWKQ-LURJTMIESA-N 0 0 245.279 2.292 20 5 BEBDRN O=[N+]([O-])c1ccc(Cn2cnc(C3CC3)n2)cc1 ZINC000419049689 192098675 /nfs/dbraw/zinc/09/86/75/192098675.db2.gz XOYKVZYGXQHXQQ-UHFFFAOYSA-N 0 0 244.254 2.112 20 5 BEBDRN C[C@@H](O)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000136366955 346201018 /nfs/dbraw/zinc/20/10/18/346201018.db2.gz LCRDHQMWRDZOFT-JGVFFNPUSA-N 0 0 242.250 2.305 20 5 BEBDRN Cc1cccc(C(=O)N2C[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000294011051 179012355 /nfs/dbraw/zinc/01/23/55/179012355.db2.gz IQTHSXSSXFLQQW-NXEZZACHSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1cccc(C(=O)N[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000025772869 179020507 /nfs/dbraw/zinc/02/05/07/179020507.db2.gz ALFCFJNQUBMPSE-VIFPVBQESA-N 0 0 248.282 2.432 20 5 BEBDRN C[C@H]1CN(c2ccsc2[N+](=O)[O-])CCC1=O ZINC000601147121 346396990 /nfs/dbraw/zinc/39/69/90/346396990.db2.gz VPDIJYBUVZFZGB-ZETCQYMHSA-N 0 0 240.284 2.072 20 5 BEBDRN CCO[C@@H]1C[C@H]1Nc1cc(C)ccc1[N+](=O)[O-] ZINC000580615701 365820886 /nfs/dbraw/zinc/82/08/86/365820886.db2.gz MAUXOEAMEGKZCG-ZYHUDNBSSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cccc(N2CCCOCC2)c1[N+](=O)[O-] ZINC000364638410 179122992 /nfs/dbraw/zinc/12/29/92/179122992.db2.gz QMJGJZOLKIKKJU-UHFFFAOYSA-N 0 0 236.271 2.130 20 5 BEBDRN CCOCCOc1cccc(C)c1[N+](=O)[O-] ZINC000192799850 365830337 /nfs/dbraw/zinc/83/03/37/365830337.db2.gz HKUHAYBAGOUVGO-UHFFFAOYSA-N 0 0 225.244 2.319 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1CC[C@@H](C(F)F)C1 ZINC000588040775 346627950 /nfs/dbraw/zinc/62/79/50/346627950.db2.gz PCKWTLRTXCNILB-SSDOTTSWSA-N 0 0 243.213 2.081 20 5 BEBDRN Cc1cccc(NCCCCO)c1[N+](=O)[O-] ZINC000225828432 179143469 /nfs/dbraw/zinc/14/34/69/179143469.db2.gz MAZFIEYPUTUMRL-UHFFFAOYSA-N 0 0 224.260 2.088 20 5 BEBDRN Cc1cccc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000218821736 179146188 /nfs/dbraw/zinc/14/61/88/179146188.db2.gz KHUQSFPGWKYASR-JTQLQIEISA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cccc(NC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000218821797 179148243 /nfs/dbraw/zinc/14/82/43/179148243.db2.gz KHUQSFPGWKYASR-SNVBAGLBSA-N 0 0 236.271 2.494 20 5 BEBDRN O=[N+]([O-])c1cn(Cc2cc(F)cc(F)c2)cn1 ZINC000188176270 346794064 /nfs/dbraw/zinc/79/40/64/346794064.db2.gz PWYCFALMKXKCRW-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN Cc1cccc(OC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000330461383 179172206 /nfs/dbraw/zinc/17/22/06/179172206.db2.gz SAUINTXPHORGHM-JTQLQIEISA-N 0 0 237.255 2.319 20 5 BEBDRN COCC(C)(C)CNc1cccnc1[N+](=O)[O-] ZINC000310095033 347228221 /nfs/dbraw/zinc/22/82/21/347228221.db2.gz LBDNLDGLOCZOKY-UHFFFAOYSA-N 0 0 239.275 2.074 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OCC1(O)CCC1 ZINC000340168624 179205961 /nfs/dbraw/zinc/20/59/61/179205961.db2.gz ULCZOOFXSLUQET-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCc1ccnn1C ZINC000155098640 179205983 /nfs/dbraw/zinc/20/59/83/179205983.db2.gz XHIWEJKZZZDQKO-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@H](C)CCCO ZINC000149741653 179206760 /nfs/dbraw/zinc/20/67/60/179206760.db2.gz TWRVGYBJWZWIGX-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@H]1CCOC1 ZINC000122323599 179206928 /nfs/dbraw/zinc/20/69/28/179206928.db2.gz DUWODZIRDGGINR-VIFPVBQESA-N 0 0 222.244 2.104 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCC1=CCOCC1 ZINC000590709274 347498896 /nfs/dbraw/zinc/49/88/96/347498896.db2.gz OOYGDGKLXZAZMZ-UHFFFAOYSA-N 0 0 240.284 2.415 20 5 BEBDRN COC(=O)CCSc1ccc([N+](=O)[O-])s1 ZINC000590683416 347490637 /nfs/dbraw/zinc/49/06/37/347490637.db2.gz OZZSMDTWBKYHSY-UHFFFAOYSA-N 0 0 247.297 2.312 20 5 BEBDRN C[C@@]1(F)CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000590704782 347491974 /nfs/dbraw/zinc/49/19/74/347491974.db2.gz QCXPESONUNIASC-LLVKDONJSA-N 0 0 239.250 2.318 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]3CCC[C@H]32)cn1 ZINC000590698405 347492763 /nfs/dbraw/zinc/49/27/63/347492763.db2.gz MVZIIXTWCQLGQA-GXSJLCMTSA-N 0 0 233.271 2.369 20 5 BEBDRN CCC1(CNc2ccsc2[N+](=O)[O-])COC1 ZINC000590726083 347496080 /nfs/dbraw/zinc/49/60/80/347496080.db2.gz KBOFPAPDIFREAL-UHFFFAOYSA-N 0 0 242.300 2.495 20 5 BEBDRN Cc1nc(N2CCC[C@H]2CF)ccc1[N+](=O)[O-] ZINC000292691377 347514738 /nfs/dbraw/zinc/51/47/38/347514738.db2.gz FNFOQTZREOKSNG-VIFPVBQESA-N 0 0 239.250 2.237 20 5 BEBDRN Cc1cc(N2CCC[C@H]2CF)ncc1[N+](=O)[O-] ZINC000292835394 347516818 /nfs/dbraw/zinc/51/68/18/347516818.db2.gz QATAUTHQHZRJRI-VIFPVBQESA-N 0 0 239.250 2.237 20 5 BEBDRN CCOCn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000590732221 347499871 /nfs/dbraw/zinc/49/98/71/347499871.db2.gz FSWDTBWSSLUGRF-UHFFFAOYSA-N 0 0 235.243 2.247 20 5 BEBDRN Cc1nn([C@@H]2CCCCCC2=O)cc1[N+](=O)[O-] ZINC000590739179 347502350 /nfs/dbraw/zinc/50/23/50/347502350.db2.gz VCASULRCIKYKHH-SECBINFHSA-N 0 0 237.259 2.174 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2CC=CC2)c(F)c1 ZINC000591149831 347621521 /nfs/dbraw/zinc/62/15/21/347621521.db2.gz JQUGBBUXBFOXGK-UHFFFAOYSA-N 0 0 223.207 2.259 20 5 BEBDRN Cc1nc(NCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000123826542 347688440 /nfs/dbraw/zinc/68/84/40/347688440.db2.gz FJUSAXGNCSNHCX-UHFFFAOYSA-N 0 0 235.165 2.272 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1CC(CC(F)F)C1 ZINC000591830845 347702571 /nfs/dbraw/zinc/70/25/71/347702571.db2.gz AZWFGBDFMGWALW-UHFFFAOYSA-N 0 0 243.213 2.081 20 5 BEBDRN C[C@@H]1CCN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000591900482 347713779 /nfs/dbraw/zinc/71/37/79/347713779.db2.gz GQCABSXHTAUEIG-SECBINFHSA-N 0 0 247.298 2.467 20 5 BEBDRN Cc1noc(C)c1-c1cc(CO)cc([N+](=O)[O-])c1 ZINC000592987020 347836750 /nfs/dbraw/zinc/83/67/50/347836750.db2.gz NOBUAQADTFFVQK-UHFFFAOYSA-N 0 0 248.238 2.359 20 5 BEBDRN O=[N+]([O-])c1cc2c(nc1N1CC=CC1)CCCC2 ZINC000593478760 347896568 /nfs/dbraw/zinc/89/65/68/347896568.db2.gz GPTAADMEISJAFW-UHFFFAOYSA-N 0 0 245.282 2.245 20 5 BEBDRN COCCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593456640 347899195 /nfs/dbraw/zinc/89/91/95/347899195.db2.gz ATLBGXFVIUUUPD-UHFFFAOYSA-N 0 0 247.254 2.201 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCCC(F)(F)C2)s1 ZINC000593486839 347904876 /nfs/dbraw/zinc/90/48/76/347904876.db2.gz GQUMYNFOKVDSQQ-UHFFFAOYSA-N 0 0 249.242 2.287 20 5 BEBDRN COC(C)(C)CN(C)c1ccccc1[N+](=O)[O-] ZINC000532073635 323171854 /nfs/dbraw/zinc/17/18/54/323171854.db2.gz KYTGHCVVLKXEDH-UHFFFAOYSA-N 0 0 238.287 2.456 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCC12CCCC2 ZINC000593757369 347943553 /nfs/dbraw/zinc/94/35/53/347943553.db2.gz LBNVIYKWUDYPOW-UHFFFAOYSA-N 0 0 249.270 2.082 20 5 BEBDRN CC(=O)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000196779277 348023111 /nfs/dbraw/zinc/02/31/11/348023111.db2.gz BEQQFQIQGXVYEB-SSDOTTSWSA-N 0 0 209.201 2.219 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1CCCC1CCC1 ZINC000594881987 348120002 /nfs/dbraw/zinc/12/00/02/348120002.db2.gz MJYUGNNDGOOHDE-UHFFFAOYSA-N 0 0 236.271 2.337 20 5 BEBDRN O=[N+]([O-])c1cn(CCCC2CCC2)cn1 ZINC000594885318 348120607 /nfs/dbraw/zinc/12/06/07/348120607.db2.gz BUDMKRNGISJCPU-UHFFFAOYSA-N 0 0 209.249 2.372 20 5 BEBDRN CC[C@H](CC(F)F)Cn1cnc([N+](=O)[O-])c1 ZINC000594885665 348120930 /nfs/dbraw/zinc/12/09/30/348120930.db2.gz LZNRDVOSINTFFK-SSDOTTSWSA-N 0 0 233.218 2.473 20 5 BEBDRN Cc1cc(=O)n(CC2CC=CC2)cc1[N+](=O)[O-] ZINC000594890250 348123921 /nfs/dbraw/zinc/12/39/21/348123921.db2.gz ARPIXNQTDCNPDF-UHFFFAOYSA-N 0 0 234.255 2.031 20 5 BEBDRN O=c1ccn(CCCC2CCC2)cc1[N+](=O)[O-] ZINC000594891708 348125922 /nfs/dbraw/zinc/12/59/22/348125922.db2.gz ZYVFTEKYRCPEFB-UHFFFAOYSA-N 0 0 236.271 2.337 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CC1CC=CC1 ZINC000594897285 348130661 /nfs/dbraw/zinc/13/06/61/348130661.db2.gz JLWBTUDRFBEEJL-UHFFFAOYSA-N 0 0 234.255 2.031 20 5 BEBDRN CC[C@H](C)N(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595365167 348231227 /nfs/dbraw/zinc/23/12/27/348231227.db2.gz YMSMODPGMKMFKC-ZETCQYMHSA-N 0 0 227.264 2.122 20 5 BEBDRN O=c1[nH]ccc(NCC2CCCC2)c1[N+](=O)[O-] ZINC000596073806 348438281 /nfs/dbraw/zinc/43/82/81/348438281.db2.gz AIYIABOCVLMEJT-UHFFFAOYSA-N 0 0 237.259 2.298 20 5 BEBDRN CC[C@H](O)CNc1cc(C)sc1[N+](=O)[O-] ZINC000596241688 348484712 /nfs/dbraw/zinc/48/47/12/348484712.db2.gz WLAJETDHGBZEDY-ZETCQYMHSA-N 0 0 230.289 2.148 20 5 BEBDRN C[C@H](F)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596244100 348485985 /nfs/dbraw/zinc/48/59/85/348485985.db2.gz OTTBPJTXLAFWCC-LURJTMIESA-N 0 0 247.657 2.225 20 5 BEBDRN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000596246572 348486364 /nfs/dbraw/zinc/48/63/64/348486364.db2.gz DYVSVUGKAGPMGP-RQJHMYQMSA-N 0 0 241.678 2.488 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[C@H]2C)n1 ZINC000596246003 348486378 /nfs/dbraw/zinc/48/63/78/348486378.db2.gz CXHLNTHEAGYECB-PSASIEDQSA-N 0 0 235.287 2.451 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1c1ccccc1[N+](=O)[O-] ZINC000596246764 348486465 /nfs/dbraw/zinc/48/64/65/348486465.db2.gz GDULHVVJRMQRJY-DTWKUNHWSA-N 0 0 206.245 2.439 20 5 BEBDRN Cc1ccnc(N2C[C@@H](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000596247333 348486879 /nfs/dbraw/zinc/48/68/79/348486879.db2.gz KBLHNNVDBZLMIT-BDAKNGLRSA-N 0 0 221.260 2.143 20 5 BEBDRN Cc1ccnc(N2C[C@@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000596247344 348486993 /nfs/dbraw/zinc/48/69/93/348486993.db2.gz KBLHNNVDBZLMIT-RKDXNWHRSA-N 0 0 221.260 2.143 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1C[C@@H]2CCCC[C@@H]21 ZINC000596293719 348489233 /nfs/dbraw/zinc/48/92/33/348489233.db2.gz AUPOEEDKJUMNRU-UWVGGRQHSA-N 0 0 233.271 2.369 20 5 BEBDRN CCC[C@@H]1C[C@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596144475 348450657 /nfs/dbraw/zinc/45/06/57/348450657.db2.gz GKYFYMGEFCRQII-VXNVDRBHSA-N 0 0 237.259 2.296 20 5 BEBDRN CC(C)c1ncn(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000596301803 348491238 /nfs/dbraw/zinc/49/12/38/348491238.db2.gz MEKSOSBNUUFUQS-UHFFFAOYSA-N 0 0 246.270 2.358 20 5 BEBDRN C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000596249477 348472957 /nfs/dbraw/zinc/47/29/57/348472957.db2.gz QBRGWYKIOHJORJ-YUMQZZPRSA-N 0 0 246.270 2.316 20 5 BEBDRN Cc1nc(N2C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596251886 348474142 /nfs/dbraw/zinc/47/41/42/348474142.db2.gz YPLYLJVRYWWFMV-APPZFPTMSA-N 0 0 221.260 2.143 20 5 BEBDRN Cc1cnc(N2C[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000596251539 348474306 /nfs/dbraw/zinc/47/43/06/348474306.db2.gz XJEXVFDSWKYWMY-DTWKUNHWSA-N 0 0 221.260 2.143 20 5 BEBDRN CC(F)(F)CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596255723 348475891 /nfs/dbraw/zinc/47/58/91/348475891.db2.gz RLCOWRZZKZAOSM-UHFFFAOYSA-N 0 0 247.201 2.153 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(CSCCO)c(F)c1 ZINC000596257344 348476464 /nfs/dbraw/zinc/47/64/64/348476464.db2.gz HPBTVUOASTUUPE-UHFFFAOYSA-N 0 0 249.238 2.099 20 5 BEBDRN Cc1noc(COc2cccnc2C)c1[N+](=O)[O-] ZINC000596264900 348479290 /nfs/dbraw/zinc/47/92/90/348479290.db2.gz LVJNVJACCLOLRB-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CC1CC=CC1 ZINC000596271242 348481481 /nfs/dbraw/zinc/48/14/81/348481481.db2.gz YBUZYVRLKCRZLA-UHFFFAOYSA-N 0 0 234.255 2.031 20 5 BEBDRN C[C@@H](Nc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000596438664 348547545 /nfs/dbraw/zinc/54/75/45/348547545.db2.gz UULLJRLBNCQJHE-SECBINFHSA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@]23C[C@H]2CCC3)nc1 ZINC000596317895 348505886 /nfs/dbraw/zinc/50/58/86/348505886.db2.gz VIRQHBORIVNRSR-LDYMZIIASA-N 0 0 219.244 2.344 20 5 BEBDRN CO[C@@H](C)CSCc1onc(C)c1[N+](=O)[O-] ZINC000596354802 348520084 /nfs/dbraw/zinc/52/00/84/348520084.db2.gz LPPSPXTUDYKWAS-LURJTMIESA-N 0 0 246.288 2.159 20 5 BEBDRN COCCC1CN(c2ccccc2[N+](=O)[O-])C1 ZINC000596355279 348520661 /nfs/dbraw/zinc/52/06/61/348520661.db2.gz FVELTISPSNRMGP-UHFFFAOYSA-N 0 0 236.271 2.068 20 5 BEBDRN CO[C@@]1(C)C[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000596540662 348583030 /nfs/dbraw/zinc/58/30/30/348583030.db2.gz TZGHEFMGYBVTAM-MNOVXSKESA-N 0 0 222.244 2.184 20 5 BEBDRN Cc1coc(-c2cc([N+](=O)[O-])ccc2CCO)n1 ZINC000596647192 348604164 /nfs/dbraw/zinc/60/41/64/348604164.db2.gz FTBULTGUJFSPSK-UHFFFAOYSA-N 0 0 248.238 2.093 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC2([C@@H](C)O)CC2)c1 ZINC000596523193 348564193 /nfs/dbraw/zinc/56/41/93/348564193.db2.gz GVLYIYPDQAOHBC-SECBINFHSA-N 0 0 236.271 2.229 20 5 BEBDRN C[C@@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])CO1 ZINC000401895956 348609099 /nfs/dbraw/zinc/60/90/99/348609099.db2.gz XAXSKDDYHMBUJZ-BDAKNGLRSA-N 0 0 222.244 2.184 20 5 BEBDRN Cc1nc(NCC2=CCCC2)ccc1[N+](=O)[O-] ZINC000596518613 348576100 /nfs/dbraw/zinc/57/61/00/348576100.db2.gz ZQRAKPFXVMQAIV-UHFFFAOYSA-N 0 0 233.271 2.242 20 5 BEBDRN Cc1cnc(NCC[C@@H](C)F)c([N+](=O)[O-])c1 ZINC000338756091 179634010 /nfs/dbraw/zinc/63/40/10/179634010.db2.gz QLCZPTGIVONJOG-MRVPVSSYSA-N 0 0 227.239 2.458 20 5 BEBDRN CC12CC(C1)CN2C(=O)c1ccccc1[N+](=O)[O-] ZINC000598568406 348992732 /nfs/dbraw/zinc/99/27/32/348992732.db2.gz SRNYPLBACVKFIS-UHFFFAOYSA-N 0 0 246.266 2.219 20 5 BEBDRN CC1(C)C[C@@]1(C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000598384949 348954121 /nfs/dbraw/zinc/95/41/21/348954121.db2.gz GWESPNILGNDMBI-LLVKDONJSA-N 0 0 238.243 2.106 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CC(CC2CC2)C1 ZINC000598643068 349008683 /nfs/dbraw/zinc/00/86/83/349008683.db2.gz IJPGAEYXEVCUOH-UHFFFAOYSA-N 0 0 233.271 2.226 20 5 BEBDRN Cc1coc(Sc2ncccc2[N+](=O)[O-])n1 ZINC000302736513 179757912 /nfs/dbraw/zinc/75/79/12/179757912.db2.gz WXMVSOIGBBQZPG-UHFFFAOYSA-N 0 0 237.240 2.437 20 5 BEBDRN Cc1conc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000123974656 179760439 /nfs/dbraw/zinc/76/04/39/179760439.db2.gz OLVXRGKCGJRLOK-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN CN(CC1(C)COC1)c1ccsc1[N+](=O)[O-] ZINC000599143960 349104199 /nfs/dbraw/zinc/10/41/99/349104199.db2.gz ATHCONGRAPBPBH-UHFFFAOYSA-N 0 0 242.300 2.129 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N1CC2(C1)CCCO2 ZINC000599144703 349104991 /nfs/dbraw/zinc/10/49/91/349104991.db2.gz LJSDINYBAYZBNV-UHFFFAOYSA-N 0 0 248.282 2.272 20 5 BEBDRN CC[C@@](C)(O)CNc1ccsc1[N+](=O)[O-] ZINC000308911079 349059609 /nfs/dbraw/zinc/05/96/09/349059609.db2.gz DTJQHJUAJZFLOJ-SECBINFHSA-N 0 0 230.289 2.229 20 5 BEBDRN Cc1cccc(N[C@H]2CO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000402017926 349147317 /nfs/dbraw/zinc/14/73/17/349147317.db2.gz DJMVCLSAXZNUCI-VHSXEESVSA-N 0 0 236.271 2.493 20 5 BEBDRN CO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)C1 ZINC000599189799 349114395 /nfs/dbraw/zinc/11/43/95/349114395.db2.gz NHZAXKWARXWOCW-LJGSYFOKSA-N 0 0 228.273 2.246 20 5 BEBDRN CO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000599189600 349114481 /nfs/dbraw/zinc/11/44/81/349114481.db2.gz IFRFZNHMGSWAJN-HOMQSWHASA-N 0 0 236.271 2.493 20 5 BEBDRN CO[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000599197785 349116555 /nfs/dbraw/zinc/11/65/55/349116555.db2.gz QGYFRWALZMFCOW-WVSHTKLVSA-N 0 0 236.271 2.432 20 5 BEBDRN CC(C)[C@H](O)CNc1ccsc1[N+](=O)[O-] ZINC000308929433 349125406 /nfs/dbraw/zinc/12/54/06/349125406.db2.gz DXSWLMIUWXMKJW-MRVPVSSYSA-N 0 0 230.289 2.085 20 5 BEBDRN Cc1cc(OC[C@H]2C[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000421838574 192392096 /nfs/dbraw/zinc/39/20/96/192392096.db2.gz VOCXPDRPQXWGKU-AOOOYVTPSA-N 0 0 237.255 2.053 20 5 BEBDRN Cc1noc(CN(C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000599600922 349232075 /nfs/dbraw/zinc/23/20/75/349232075.db2.gz XZOKJHRGQMWRNC-UHFFFAOYSA-N 0 0 237.259 2.018 20 5 BEBDRN C[C@H](O)C[C@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000309034767 349369563 /nfs/dbraw/zinc/36/95/63/349369563.db2.gz HKQMYRZKMUUVSJ-BQBZGAKWSA-N 0 0 230.289 2.228 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCCc1cccnc1 ZINC000159320813 350012885 /nfs/dbraw/zinc/01/28/85/350012885.db2.gz XEQYOGNWNHWOTQ-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN C[C@H]1C[C@@H](Nc2ccsc2[N+](=O)[O-])CO1 ZINC000402279200 350107249 /nfs/dbraw/zinc/10/72/49/350107249.db2.gz FSQQPGRFZHJUFL-NKWVEPMBSA-N 0 0 228.273 2.246 20 5 BEBDRN C[C@H]1C[C@H](Nc2ccsc2[N+](=O)[O-])CO1 ZINC000402279196 350107648 /nfs/dbraw/zinc/10/76/48/350107648.db2.gz FSQQPGRFZHJUFL-BQBZGAKWSA-N 0 0 228.273 2.246 20 5 BEBDRN Cc1nc(N2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000268543197 180004151 /nfs/dbraw/zinc/00/41/51/180004151.db2.gz ZWMOSIWOQHYUEX-QMMMGPOBSA-N 0 0 221.260 2.144 20 5 BEBDRN Cc1nc(NC(=O)C2CCC2)ccc1[N+](=O)[O-] ZINC000175675904 180005868 /nfs/dbraw/zinc/00/58/68/180005868.db2.gz FNJBAUGXYCNWSG-UHFFFAOYSA-N 0 0 235.243 2.037 20 5 BEBDRN Cc1nc(NCC(C)(C)C)ncc1[N+](=O)[O-] ZINC000295497468 180015992 /nfs/dbraw/zinc/01/59/92/180015992.db2.gz KMAUUXKDJSTIHL-UHFFFAOYSA-N 0 0 224.264 2.151 20 5 BEBDRN Cc1nc(N[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000230185682 180025224 /nfs/dbraw/zinc/02/52/24/180025224.db2.gz UCVOHJNXNXISET-QMMMGPOBSA-N 0 0 239.300 2.216 20 5 BEBDRN COC[C@@H](C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000133150114 191037894 /nfs/dbraw/zinc/03/78/94/191037894.db2.gz YURHUEPMIGZHMP-QMMMGPOBSA-N 0 0 242.250 2.428 20 5 BEBDRN Cc1nccc(NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000054935912 180199905 /nfs/dbraw/zinc/19/99/05/180199905.db2.gz MITDORKBWIHZBV-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1nccn1Cc1ccc([N+](=O)[O-])cc1F ZINC000310250343 180268513 /nfs/dbraw/zinc/26/85/13/180268513.db2.gz FRBGNDZFKXMSTH-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN O=C(Nc1ccccc1F)c1cc([N+](=O)[O-])c[nH]1 ZINC000050824748 350392225 /nfs/dbraw/zinc/39/22/25/350392225.db2.gz ZLTQMXHJJXYSFO-UHFFFAOYSA-N 0 0 249.201 2.314 20 5 BEBDRN Cc1nn(C)c(N[C@H]2C=CCCC2)c1[N+](=O)[O-] ZINC000301613211 180360055 /nfs/dbraw/zinc/36/00/55/180360055.db2.gz GYSHQRLXQOYITD-VIFPVBQESA-N 0 0 236.275 2.157 20 5 BEBDRN Cc1nn(C)c(N(C)CCC(C)C)c1[N+](=O)[O-] ZINC000301062755 180351895 /nfs/dbraw/zinc/35/18/95/180351895.db2.gz FBIUDDBAKGQZKN-UHFFFAOYSA-N 0 0 240.307 2.119 20 5 BEBDRN CC1(C)C[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000226234862 350410717 /nfs/dbraw/zinc/41/07/17/350410717.db2.gz MMORECDTRHJRLK-MRVPVSSYSA-N 0 0 221.260 2.448 20 5 BEBDRN Cc1nn(C/C(Cl)=C/Cl)cc1[N+](=O)[O-] ZINC000181833249 180382703 /nfs/dbraw/zinc/38/27/03/180382703.db2.gz JOUUCNNHEJNHRE-KXFIGUGUSA-N 0 0 236.058 2.419 20 5 BEBDRN Cc1nn(CC[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000352351337 180388900 /nfs/dbraw/zinc/38/89/00/180388900.db2.gz XMCIKMSCSGGBDU-SNVBAGLBSA-N 0 0 239.275 2.059 20 5 BEBDRN O=[N+]([O-])c1sccc1NCC1CCOCC1 ZINC000309539972 350710639 /nfs/dbraw/zinc/71/06/39/350710639.db2.gz YBZKWCAWCUKPOJ-UHFFFAOYSA-N 0 0 242.300 2.495 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCC2(O)CCC2)s1 ZINC000309546250 350745426 /nfs/dbraw/zinc/74/54/26/350745426.db2.gz DLYUIIPEMDWXFY-UHFFFAOYSA-N 0 0 242.300 2.373 20 5 BEBDRN O=[N+]([O-])c1cn(Cc2cc(F)ccc2F)cn1 ZINC000193756526 350844630 /nfs/dbraw/zinc/84/46/30/350844630.db2.gz SSNMDJYSAQQCOG-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN Cc1cc(S[C@H](C)CCO)ncc1[N+](=O)[O-] ZINC000086002798 350852717 /nfs/dbraw/zinc/85/27/17/350852717.db2.gz JPMJZDMSHSQFNO-MRVPVSSYSA-N 0 0 242.300 2.161 20 5 BEBDRN Cc1cnc(N[C@@H]2C[C@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000343826299 350998477 /nfs/dbraw/zinc/99/84/77/350998477.db2.gz BUJXYQNKJPGTOA-RNFRBKRXSA-N 0 0 243.213 2.364 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H]2C(F)F)n1 ZINC000343863467 351000161 /nfs/dbraw/zinc/00/01/61/351000161.db2.gz PJPLNSDUMNWLML-BQBZGAKWSA-N 0 0 243.213 2.364 20 5 BEBDRN C[C@H]1CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000343985426 351006144 /nfs/dbraw/zinc/00/61/44/351006144.db2.gz NZEQNZVVKXFEQK-JOYOIKCWSA-N 0 0 248.282 2.052 20 5 BEBDRN CC(C)[C@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000086126385 350948425 /nfs/dbraw/zinc/94/84/25/350948425.db2.gz FLMNTRRQQNJOJE-JTQLQIEISA-N 0 0 224.260 2.024 20 5 BEBDRN C[C@H](Oc1cccnc1[N+](=O)[O-])C(F)(F)F ZINC000159949622 351126331 /nfs/dbraw/zinc/12/63/31/351126331.db2.gz JRMVCJLKTMXSGO-YFKPBYRVSA-N 0 0 236.149 2.319 20 5 BEBDRN CC[C@H]1CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000344427609 351126720 /nfs/dbraw/zinc/12/67/20/351126720.db2.gz FYCGZPXSICDWED-VIFPVBQESA-N 0 0 221.260 2.369 20 5 BEBDRN CCCN(CC(F)F)c1ccc([N+](=O)[O-])nc1 ZINC000344436735 351128687 /nfs/dbraw/zinc/12/86/87/351128687.db2.gz QDCGNSTWRMWOEP-UHFFFAOYSA-N 0 0 245.229 2.471 20 5 BEBDRN CC[C@H](Nc1cc(C)ccc1[N+](=O)[O-])[C@@H](C)O ZINC000386654422 363024280 /nfs/dbraw/zinc/02/42/80/363024280.db2.gz CHVHMDMOORPLGS-ZJUUUORDSA-N 0 0 238.287 2.475 20 5 BEBDRN O=[N+]([O-])c1ncccc1SC[C@@H]1CCCO1 ZINC000617221903 351338633 /nfs/dbraw/zinc/33/86/33/351338633.db2.gz ZLVNXOUMPKMBME-QMMMGPOBSA-N 0 0 240.284 2.261 20 5 BEBDRN CC[C@@H](Nc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000386693624 363028036 /nfs/dbraw/zinc/02/80/36/363028036.db2.gz KYMFCQSEXKXSMR-DTWKUNHWSA-N 0 0 224.260 2.166 20 5 BEBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000386687953 363028349 /nfs/dbraw/zinc/02/83/49/363028349.db2.gz JUOODMOZLJLUPU-LDYMZIIASA-N 0 0 224.260 2.166 20 5 BEBDRN CC1(COc2cccc([N+](=O)[O-])c2)COC1 ZINC000345423704 535166661 /nfs/dbraw/zinc/16/66/61/535166661.db2.gz LUEQPGLPXLIJGK-UHFFFAOYSA-N 0 0 223.228 2.010 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCc2ccn(C)n2)c1 ZINC000212250351 187570902 /nfs/dbraw/zinc/57/09/02/187570902.db2.gz LPXYZUVXIUGUMA-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN C[C@H](NC(=O)C1=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000411002865 191153979 /nfs/dbraw/zinc/15/39/79/191153979.db2.gz LKEHBLLSCSQXOJ-VIFPVBQESA-N 0 0 246.266 2.492 20 5 BEBDRN CCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411143054 191162592 /nfs/dbraw/zinc/16/25/92/191162592.db2.gz LTYXGYILBFBBLC-NWDGAFQWSA-N 0 0 248.282 2.225 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403478368 352326722 /nfs/dbraw/zinc/32/67/22/352326722.db2.gz QYTQNSHRFDJFTC-LPEHRKFASA-N 0 0 233.271 2.012 20 5 BEBDRN CCN(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411362638 191179647 /nfs/dbraw/zinc/17/96/47/191179647.db2.gz IYHJMFDQNVNQEO-NWDGAFQWSA-N 0 0 248.282 2.177 20 5 BEBDRN CC[C@@H]1CCCN1c1ncccc1[N+](=O)[O-] ZINC000340696188 352656393 /nfs/dbraw/zinc/65/63/93/352656393.db2.gz JDRVJOWNYWGTLE-SECBINFHSA-N 0 0 221.260 2.369 20 5 BEBDRN CN(Cc1ccncc1)c1ccc([N+](=O)[O-])nc1 ZINC000073770359 352726660 /nfs/dbraw/zinc/72/66/60/352726660.db2.gz KGYMWXJZYCGCOF-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN Cc1nccc(COc2ccccc2[N+](=O)[O-])n1 ZINC000356013968 187889691 /nfs/dbraw/zinc/88/96/91/187889691.db2.gz OYXZXYBKBBJSKZ-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN Cc1cc(N[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000271339751 187916278 /nfs/dbraw/zinc/91/62/78/187916278.db2.gz RIDZEJZPCKLGPR-ZYHUDNBSSA-N 0 0 236.271 2.229 20 5 BEBDRN CCCC(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000050185471 187953260 /nfs/dbraw/zinc/95/32/60/187953260.db2.gz WNLFXFMKGQNIBO-UHFFFAOYSA-N 0 0 241.218 2.482 20 5 BEBDRN CC(C)=CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000191753799 188003408 /nfs/dbraw/zinc/00/34/08/188003408.db2.gz OPFCJMQBOIKIGG-UHFFFAOYSA-N 0 0 240.284 2.352 20 5 BEBDRN COc1ccc(OCSC)c([N+](=O)[O-])c1 ZINC000292554531 188036838 /nfs/dbraw/zinc/03/68/38/188036838.db2.gz CMAZPZIRVKIDIN-UHFFFAOYSA-N 0 0 229.257 2.303 20 5 BEBDRN Cc1cc(C(=O)N2C[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000294203897 188038693 /nfs/dbraw/zinc/03/86/93/188038693.db2.gz QRQUSIRLIVMUPL-UWVGGRQHSA-N 0 0 248.282 2.384 20 5 BEBDRN CC(C)=CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000294924080 188038849 /nfs/dbraw/zinc/03/88/49/188038849.db2.gz IPTGLUCQPIAFJM-UHFFFAOYSA-N 0 0 222.248 2.071 20 5 BEBDRN CC(C)(CO)CNc1cccc(F)c1[N+](=O)[O-] ZINC000124268852 188046260 /nfs/dbraw/zinc/04/62/60/188046260.db2.gz TXUPMMLZGYXBQJ-UHFFFAOYSA-N 0 0 242.250 2.164 20 5 BEBDRN CN(CC1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000047322968 353153285 /nfs/dbraw/zinc/15/32/85/353153285.db2.gz LVTIBAZKZCUXMH-UHFFFAOYSA-N 0 0 249.270 2.469 20 5 BEBDRN COCc1cc([N+](=O)[O-])ccc1NCCF ZINC000280724294 188268054 /nfs/dbraw/zinc/26/80/54/188268054.db2.gz JEWQFMAPLXLJOU-UHFFFAOYSA-N 0 0 228.223 2.123 20 5 BEBDRN O=[N+]([O-])c1cnccc1NCC1(C2CC2)CCC1 ZINC000361063948 188271580 /nfs/dbraw/zinc/27/15/80/188271580.db2.gz XNFPVQGBMZONFV-UHFFFAOYSA-N 0 0 247.298 2.404 20 5 BEBDRN CC(C)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000090770254 188271806 /nfs/dbraw/zinc/27/18/06/188271806.db2.gz HBMNAZMZBKLIRY-UHFFFAOYSA-N 0 0 234.259 2.316 20 5 BEBDRN Cc1ccc(OCCC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000310554886 188348825 /nfs/dbraw/zinc/34/88/25/188348825.db2.gz XXGWFQLRVVYFDM-JTQLQIEISA-N 0 0 239.271 2.443 20 5 BEBDRN CC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000190300592 188349579 /nfs/dbraw/zinc/34/95/79/188349579.db2.gz SNCPRMUOGNUDHL-UHFFFAOYSA-N 0 0 227.289 2.288 20 5 BEBDRN CCCCCCC(=O)Cn1nccc1[N+](=O)[O-] ZINC000190239520 188349961 /nfs/dbraw/zinc/34/99/61/188349961.db2.gz CBDZISNSNDAEEO-UHFFFAOYSA-N 0 0 239.275 2.331 20 5 BEBDRN CC1(C)C[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266121414 188372182 /nfs/dbraw/zinc/37/21/82/188372182.db2.gz WHJDZJJHUGLYSZ-NSHDSACASA-N 0 0 248.282 2.052 20 5 BEBDRN CC1(C(=O)NCc2ccccc2[N+](=O)[O-])CCC1 ZINC000267324286 188372639 /nfs/dbraw/zinc/37/26/39/188372639.db2.gz GKDGJFQWJWXJOT-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN CO[C@@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000272820853 188376773 /nfs/dbraw/zinc/37/67/73/188376773.db2.gz PCAXCRJBIOWGDM-JTQLQIEISA-N 0 0 238.287 2.062 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CC23CCCC3)nc1 ZINC000387034997 363380200 /nfs/dbraw/zinc/38/02/00/363380200.db2.gz QRPCAAYIOPKEHA-SECBINFHSA-N 0 0 234.259 2.129 20 5 BEBDRN CC1(C)CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000169073973 358492113 /nfs/dbraw/zinc/49/21/13/358492113.db2.gz DHJHZEALKORSFL-MRVPVSSYSA-N 0 0 236.275 2.375 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CCC(C)(F)F ZINC000412997386 191333570 /nfs/dbraw/zinc/33/35/70/191333570.db2.gz ASXKTJMDDMHOJJ-UHFFFAOYSA-N 0 0 246.213 2.110 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1C1CC(OC(C)C)C1 ZINC000412997807 191333678 /nfs/dbraw/zinc/33/36/78/191333678.db2.gz XTKALELGZARBQA-UHFFFAOYSA-N 0 0 239.275 2.228 20 5 BEBDRN Cc1nc(N[C@H]2CCC[C@@H]3C[C@@H]32)ncc1[N+](=O)[O-] ZINC000413455701 191385562 /nfs/dbraw/zinc/38/55/62/191385562.db2.gz JSXRIPUMYYMQGE-UTLUCORTSA-N 0 0 248.286 2.294 20 5 BEBDRN CC[C@@H]1CCN1c1ncc([N+](=O)[O-])cc1F ZINC000413307205 191370695 /nfs/dbraw/zinc/37/06/95/191370695.db2.gz YABSEZQTAKQIGB-SSDOTTSWSA-N 0 0 225.223 2.118 20 5 BEBDRN CC(C)[C@@H]1CCN1c1ncc([N+](=O)[O-])cc1F ZINC000413318981 191372687 /nfs/dbraw/zinc/37/26/87/191372687.db2.gz OBDZIZCGQYHNEY-JTQLQIEISA-N 0 0 239.250 2.364 20 5 BEBDRN Nc1c(F)c(NC2CCC2)ccc1[N+](=O)[O-] ZINC000413353606 191373256 /nfs/dbraw/zinc/37/32/56/191373256.db2.gz PHFUNVKSQWNIAT-UHFFFAOYSA-N 0 0 225.223 2.281 20 5 BEBDRN CSCCCSc1ncc([N+](=O)[O-])cn1 ZINC000413334901 191376020 /nfs/dbraw/zinc/37/60/20/191376020.db2.gz OWWRGSYITDXOSZ-UHFFFAOYSA-N 0 0 245.329 2.230 20 5 BEBDRN CCC1CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000413371297 191376838 /nfs/dbraw/zinc/37/68/38/191376838.db2.gz WFVAROWCKPYOCQ-UHFFFAOYSA-N 0 0 241.678 2.489 20 5 BEBDRN CC[C@@H]1CN(c2ccccc2[N+](=O)[O-])CCO1 ZINC000074158835 355321196 /nfs/dbraw/zinc/32/11/96/355321196.db2.gz DSZPORVKADHUEC-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]3C[C@H]3C2)c(F)c1 ZINC000425306919 191797208 /nfs/dbraw/zinc/79/72/08/191797208.db2.gz SUYAVQBEGOAURL-RNLVFQAGSA-N 0 0 237.234 2.339 20 5 BEBDRN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000428107218 191921737 /nfs/dbraw/zinc/92/17/37/191921737.db2.gz NELLARZQUVWETC-GDNZZTSVSA-N 0 0 246.266 2.123 20 5 BEBDRN C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000049249064 356396688 /nfs/dbraw/zinc/39/66/88/356396688.db2.gz SWNRTKMQIUYSST-AUTRQRHGSA-N 0 0 248.282 2.428 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@@H]1CCOC1 ZINC000035255712 356449830 /nfs/dbraw/zinc/44/98/30/356449830.db2.gz NZFFZFDNRBIJGD-VIFPVBQESA-N 0 0 222.244 2.043 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@]23CCOC3)c1 ZINC000420642999 192254108 /nfs/dbraw/zinc/25/41/08/192254108.db2.gz PSWHEYJXGMFNDG-ZDUSSCGKSA-N 0 0 248.282 2.272 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@H]1C ZINC000336165357 134113144 /nfs/dbraw/zinc/11/31/44/134113144.db2.gz PGEYSFXGMZKGFY-NXEZZACHSA-N 0 0 248.282 2.384 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1N1CC2(CC2)C1 ZINC000336191365 134123815 /nfs/dbraw/zinc/12/38/15/134123815.db2.gz JRTSCFCJXACSHT-UHFFFAOYSA-N 0 0 222.219 2.334 20 5 BEBDRN O=[N+]([O-])c1cccc2c1ccnc2N1CC(F)C1 ZINC000450433469 202167064 /nfs/dbraw/zinc/16/70/64/202167064.db2.gz DSQKXUWIMSUYGI-UHFFFAOYSA-N 0 0 247.229 2.301 20 5 BEBDRN CC/C=C\CNc1ncc([N+](=O)[O-])cc1C ZINC000384747413 356740080 /nfs/dbraw/zinc/74/00/80/356740080.db2.gz NJQIIIUFHBADQH-PLNGDYQASA-N 0 0 221.260 2.098 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2C(F)F)cn1 ZINC000450535086 202192445 /nfs/dbraw/zinc/19/24/45/202192445.db2.gz KPRJEZMKZRSPGV-MRVPVSSYSA-N 0 0 243.213 2.224 20 5 BEBDRN CC[C@H](Nc1ccc([N+](=O)[O-])cn1)C(F)F ZINC000450568572 202200333 /nfs/dbraw/zinc/20/03/33/202200333.db2.gz OKSYRIJFLSFEDQ-ZETCQYMHSA-N 0 0 231.202 2.445 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NC(CF)CF ZINC000450589155 202204433 /nfs/dbraw/zinc/20/44/33/202204433.db2.gz KRLILFOFRHGMSI-UHFFFAOYSA-N 0 0 234.177 2.453 20 5 BEBDRN Cc1ccnc(Oc2ccccc2[N+](=O)[O-])n1 ZINC000346367667 357033671 /nfs/dbraw/zinc/03/36/71/357033671.db2.gz KLVUGUJWZOYMAY-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN CCCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351148676 357162777 /nfs/dbraw/zinc/16/27/77/357162777.db2.gz QHNCXINHAKQDLP-UHFFFAOYSA-N 0 0 223.188 2.190 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cnoc1 ZINC000618447802 357192617 /nfs/dbraw/zinc/19/26/17/357192617.db2.gz OMJQLMVOGXVYJV-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NCc1ncccn1 ZINC000190312039 357700426 /nfs/dbraw/zinc/70/04/26/357700426.db2.gz WOYQCKQUXFYKRD-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN C[C@@H](CCO)CNc1ccc([N+](=O)[O-])cc1 ZINC000085132147 134223686 /nfs/dbraw/zinc/22/36/86/134223686.db2.gz KSYBPHPSSGKNPK-VIFPVBQESA-N 0 0 224.260 2.025 20 5 BEBDRN CCN(CC(C)(C)C)c1c([N+](=O)[O-])ncn1C ZINC000583316592 357899734 /nfs/dbraw/zinc/89/97/34/357899734.db2.gz ABGDJFOYPIHYMR-UHFFFAOYSA-N 0 0 240.307 2.201 20 5 BEBDRN CC1(C)CN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000619146779 358003693 /nfs/dbraw/zinc/00/36/93/358003693.db2.gz HBVQJTYJHBRYRS-UHFFFAOYSA-N 0 0 234.255 2.077 20 5 BEBDRN CC1(C)CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000619146540 358003973 /nfs/dbraw/zinc/00/39/73/358003973.db2.gz AWJFRJCKXYSMIU-UHFFFAOYSA-N 0 0 248.282 2.006 20 5 BEBDRN C[C@@H]1[C@H](C)CN(c2ccc([N+](=O)[O-])nc2)[C@H]1C ZINC000584519876 358029863 /nfs/dbraw/zinc/02/98/63/358029863.db2.gz LIEBPVUPWHGHDK-BBBLOLIVSA-N 0 0 235.287 2.471 20 5 BEBDRN COC1CC(Sc2ccc([N+](=O)[O-])cn2)C1 ZINC000583883177 358119266 /nfs/dbraw/zinc/11/92/66/358119266.db2.gz INMCXSUPBDPLNP-UHFFFAOYSA-N 0 0 240.284 2.259 20 5 BEBDRN Cc1cnc(N2CC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000450650488 202225257 /nfs/dbraw/zinc/22/52/57/202225257.db2.gz ZNIIBBYBFWJBRZ-JTQLQIEISA-N 0 0 233.271 2.287 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1NCC1COC1 ZINC000584631662 358314113 /nfs/dbraw/zinc/31/41/13/358314113.db2.gz IKFWHBWPDDYONE-UHFFFAOYSA-N 0 0 242.662 2.307 20 5 BEBDRN CCCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172905148 134270659 /nfs/dbraw/zinc/27/06/59/134270659.db2.gz OVBZLIRUHOQCFU-UHFFFAOYSA-N 0 0 236.271 2.006 20 5 BEBDRN Cc1c(Nc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000180441728 366454367 /nfs/dbraw/zinc/45/43/67/366454367.db2.gz IZTJYRUERBOYBA-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN CC[C@@H](O)CCNc1ccc([N+](=O)[O-])cc1C ZINC000127226429 358560950 /nfs/dbraw/zinc/56/09/50/358560950.db2.gz VTGSKCOSTJMGEX-LLVKDONJSA-N 0 0 238.287 2.476 20 5 BEBDRN CC1(F)CN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000619500624 358575757 /nfs/dbraw/zinc/57/57/57/358575757.db2.gz RJIKQJGIMIDVPM-UHFFFAOYSA-N 0 0 245.641 2.191 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1NCCF ZINC000306186215 359001587 /nfs/dbraw/zinc/00/15/87/359001587.db2.gz BMGINOWDRNQLLS-UHFFFAOYSA-N 0 0 219.603 2.025 20 5 BEBDRN O=[N+]([O-])c1ccc(/C=C/c2cocn2)nc1 ZINC000347596746 359001710 /nfs/dbraw/zinc/00/17/10/359001710.db2.gz BGVKCTRJPOIQBZ-OWOJBTEDSA-N 0 0 217.184 2.148 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1[C@H]1C[C@H](C)CCC1=O ZINC000450819418 202275969 /nfs/dbraw/zinc/27/59/69/202275969.db2.gz KXLFPHDCZDCTQK-APPZFPTMSA-N 0 0 237.259 2.030 20 5 BEBDRN CC(C)OCCCNc1ccc([N+](=O)[O-])cn1 ZINC000057681855 359735897 /nfs/dbraw/zinc/73/58/97/359735897.db2.gz MYOZOQLVLZNMIN-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC[C@@H]1C[C@H]1C1CC1 ZINC000450918707 202311312 /nfs/dbraw/zinc/31/13/12/202311312.db2.gz KIBKLLVAUGSPHJ-UWVGGRQHSA-N 0 0 233.271 2.448 20 5 BEBDRN C[C@H](CO)SCc1ccc(F)cc1[N+](=O)[O-] ZINC000578523665 366590167 /nfs/dbraw/zinc/59/01/67/366590167.db2.gz KLZBEAQBMPOSJR-SSDOTTSWSA-N 0 0 245.275 2.348 20 5 BEBDRN CC(C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000036110307 360612104 /nfs/dbraw/zinc/61/21/04/360612104.db2.gz UQSXFKZPEDVMRA-UHFFFAOYSA-N 0 0 234.255 2.140 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CCOCC2)cc1 ZINC000036319997 360904338 /nfs/dbraw/zinc/90/43/38/360904338.db2.gz WVSUTFFDWPQYMG-UHFFFAOYSA-N 0 0 222.244 2.186 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H](CO)CC(F)F)cc1 ZINC000428670927 201034015 /nfs/dbraw/zinc/03/40/15/201034015.db2.gz NGZVFYSFBUEGIW-QMMMGPOBSA-N 0 0 246.213 2.023 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1CN(C)C1CC1 ZINC000430196771 201152337 /nfs/dbraw/zinc/15/23/37/201152337.db2.gz SJRIXUGEHBHBCE-UHFFFAOYSA-N 0 0 236.271 2.198 20 5 BEBDRN Cc1ccc(NCc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000037059656 361604149 /nfs/dbraw/zinc/60/41/49/361604149.db2.gz DTSQATPOYDVXLD-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN O=[N+]([O-])c1ccc2ncnc(NCC3CC3)c2c1 ZINC000080109282 370727148 /nfs/dbraw/zinc/72/71/48/370727148.db2.gz QDJMVQUZJWZOFH-UHFFFAOYSA-N 0 0 244.254 2.360 20 5 BEBDRN O=[N+]([O-])c1cc(CNCc2ccccn2)cs1 ZINC000037562514 364192053 /nfs/dbraw/zinc/19/20/53/364192053.db2.gz LDXIUKFUZISAPF-UHFFFAOYSA-N 0 0 249.295 2.341 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC=C(F)C2)c(F)c1 ZINC000573663734 364886712 /nfs/dbraw/zinc/88/67/12/364886712.db2.gz NJVCNSPQRGCMGQ-UHFFFAOYSA-N 0 0 241.197 2.192 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)C(F)(F)F ZINC000439042797 201431827 /nfs/dbraw/zinc/43/18/27/201431827.db2.gz VCNPGVUMZYFHQS-RXMQYKEDSA-N 0 0 237.181 2.298 20 5 BEBDRN C[C@H]1C[C@@H]1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000575167836 365224880 /nfs/dbraw/zinc/22/48/80/365224880.db2.gz UZSNHCYQDYHAOA-GXSJLCMTSA-N 0 0 248.282 2.257 20 5 BEBDRN C[C@@H]1C[C@H]1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000575167837 365225995 /nfs/dbraw/zinc/22/59/95/365225995.db2.gz UZSNHCYQDYHAOA-KOLCDFICSA-N 0 0 248.282 2.257 20 5 BEBDRN CCCCN(C)c1ccncc1[N+](=O)[O-] ZINC000357045739 168785742 /nfs/dbraw/zinc/78/57/42/168785742.db2.gz VHYDVQTXVDHLRI-UHFFFAOYSA-N 0 0 209.249 2.226 20 5 BEBDRN C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000018207668 367961867 /nfs/dbraw/zinc/96/18/67/367961867.db2.gz JUFCEYLKLOJMKE-VIFPVBQESA-N 0 0 248.282 2.052 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1CCCCO1 ZINC000615500215 368076817 /nfs/dbraw/zinc/07/68/17/368076817.db2.gz HLBQPGFKIDQQJW-UHFFFAOYSA-N 0 0 214.246 2.188 20 5 BEBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ncc[nH]1 ZINC000139778939 368155350 /nfs/dbraw/zinc/15/53/50/368155350.db2.gz HCJSAABCWBWMOX-SECBINFHSA-N 0 0 247.258 2.276 20 5 BEBDRN Cc1ccc(C(=O)NCC2CCC2)cc1[N+](=O)[O-] ZINC000026137455 368234803 /nfs/dbraw/zinc/23/48/03/368234803.db2.gz QKYYNPGOSWYWFR-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN CCC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000041986417 368297633 /nfs/dbraw/zinc/29/76/33/368297633.db2.gz QHIKOVZIMDFDHI-MRVPVSSYSA-N 0 0 240.259 2.448 20 5 BEBDRN CC(C)CN(C)c1ccc([N+](=O)[O-])cn1 ZINC000065945644 368634911 /nfs/dbraw/zinc/63/49/11/368634911.db2.gz APARSSGBGKYUGT-UHFFFAOYSA-N 0 0 209.249 2.082 20 5 BEBDRN CCC1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000457304643 203035601 /nfs/dbraw/zinc/03/56/01/203035601.db2.gz IMINREIFUMMLMO-UHFFFAOYSA-N 0 0 248.282 2.006 20 5 BEBDRN CCC1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000457274035 203032083 /nfs/dbraw/zinc/03/20/83/203032083.db2.gz JQLSLCRJPZNCDY-UHFFFAOYSA-N 0 0 248.282 2.006 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000069524532 370947014 /nfs/dbraw/zinc/94/70/14/370947014.db2.gz SFVTVMKKUVBQFE-XVKPBYJWSA-N 0 0 220.228 2.189 20 5 BEBDRN Cc1nn(-c2ccc([N+](=O)[O-])cn2)c(C)c1C ZINC000201476330 369391629 /nfs/dbraw/zinc/39/16/29/369391629.db2.gz IJTWQRYRDKEITH-UHFFFAOYSA-N 0 0 232.243 2.101 20 5 BEBDRN Cc1cn(CCCOC(C)(C)C)nc1[N+](=O)[O-] ZINC000619745428 369569569 /nfs/dbraw/zinc/56/95/69/369569569.db2.gz WBWRGPYXWMEKGT-UHFFFAOYSA-N 0 0 241.291 2.305 20 5 BEBDRN C[C@@H]1SCC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000309839842 370266966 /nfs/dbraw/zinc/26/69/66/370266966.db2.gz ODGUPMROQHQCJS-IONNQARKSA-N 0 0 239.300 2.296 20 5 BEBDRN CC[C@@H](C)[C@@H](O)CNc1ccc([N+](=O)[O-])s1 ZINC000309996840 370287133 /nfs/dbraw/zinc/28/71/33/370287133.db2.gz CIXICNHOWAJGIB-SFYZADRCSA-N 0 0 244.316 2.475 20 5 BEBDRN CC1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000298930669 370428096 /nfs/dbraw/zinc/42/80/96/370428096.db2.gz DLJLZWLJAIQSAI-JTQLQIEISA-N 0 0 234.255 2.123 20 5 BEBDRN Cc1noc(/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000349776034 370434606 /nfs/dbraw/zinc/43/46/06/370434606.db2.gz WWJBLFPZVJVIPN-AATRIKPKSA-N 0 0 231.211 2.457 20 5 BEBDRN Cc1noc(/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000349779478 370451624 /nfs/dbraw/zinc/45/16/24/370451624.db2.gz BCQPAOVWAYCXBT-VOTSOKGWSA-N 0 0 231.211 2.457 20 5 BEBDRN CCc1cnc(COc2cccnc2[N+](=O)[O-])o1 ZINC000078935436 370612030 /nfs/dbraw/zinc/61/20/30/370612030.db2.gz SFLZUUIWPYGWHP-UHFFFAOYSA-N 0 0 249.226 2.119 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N(C)CC(C)(C)O ZINC000155099476 371193568 /nfs/dbraw/zinc/19/35/68/371193568.db2.gz QHWTXJMACGYFSK-UHFFFAOYSA-N 0 0 238.287 2.110 20 5 BEBDRN C[C@@H](CO)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000155272707 371217053 /nfs/dbraw/zinc/21/70/53/371217053.db2.gz NEDRRRLRKCYLSN-ZETCQYMHSA-N 0 0 245.662 2.255 20 5 BEBDRN CCCCN(CC)c1ncc([N+](=O)[O-])cn1 ZINC000273592820 168804408 /nfs/dbraw/zinc/80/44/08/168804408.db2.gz HNZAIHMMXBLTFO-UHFFFAOYSA-N 0 0 224.264 2.011 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(Oc2cnccn2)c1 ZINC001642841735 1172412224 /nfs/dbraw/zinc/41/22/24/1172412224.db2.gz ZLQXKRNSIVWRAW-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NC1CC=CC1 ZINC000126007345 371473133 /nfs/dbraw/zinc/47/31/33/371473133.db2.gz XHSSUUCZYRJKPF-UHFFFAOYSA-N 0 0 236.275 2.250 20 5 BEBDRN Cc1cn(Cc2cccc(F)c2)nc1[N+](=O)[O-] ZINC000335807146 371546618 /nfs/dbraw/zinc/54/66/18/371546618.db2.gz KGJWBSDKGFFJBJ-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2noc(C3CC3)n2)o1 ZINC000351144371 371610513 /nfs/dbraw/zinc/61/05/13/371610513.db2.gz IGCJICDOYBKPBL-UHFFFAOYSA-N 0 0 221.172 2.115 20 5 BEBDRN C/C=C\CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000600490774 371674392 /nfs/dbraw/zinc/67/43/92/371674392.db2.gz LVIWPQLHTDEYSI-ARJAWSKDSA-N 0 0 248.282 2.138 20 5 BEBDRN C/C=C/CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000600490958 371675483 /nfs/dbraw/zinc/67/54/83/371675483.db2.gz JFNIPBZMNNTOGC-ONEGZZNKSA-N 0 0 234.255 2.209 20 5 BEBDRN O=[N+]([O-])c1ccsc1SCCCO ZINC000601217658 371738630 /nfs/dbraw/zinc/73/86/30/371738630.db2.gz WJSNWKADUAADBQ-UHFFFAOYSA-N 0 0 219.287 2.131 20 5 BEBDRN CCCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600889459 371708167 /nfs/dbraw/zinc/70/81/67/371708167.db2.gz UCYMCRFPRVREME-UHFFFAOYSA-N 0 0 240.234 2.264 20 5 BEBDRN CC[C@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600886036 371708707 /nfs/dbraw/zinc/70/87/07/371708707.db2.gz JZTLWXCAIIXSIU-ZETCQYMHSA-N 0 0 240.234 2.262 20 5 BEBDRN CC(C)CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600890285 371710250 /nfs/dbraw/zinc/71/02/50/371710250.db2.gz WRNUXNRXOSMRGC-UHFFFAOYSA-N 0 0 240.234 2.120 20 5 BEBDRN C[C@H]1OCC[C@H]1COc1cccc([N+](=O)[O-])c1 ZINC000601069405 371724184 /nfs/dbraw/zinc/72/41/84/371724184.db2.gz IEFFDYDWUYTLRU-ZJUUUORDSA-N 0 0 237.255 2.399 20 5 BEBDRN Cc1nn(COC2CCCCC2)cc1[N+](=O)[O-] ZINC000601082320 371726833 /nfs/dbraw/zinc/72/68/33/371726833.db2.gz GEKYEBXVJUDPJE-UHFFFAOYSA-N 0 0 239.275 2.407 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC[C@@H](O)C(F)F)cc1 ZINC000601223738 371740355 /nfs/dbraw/zinc/74/03/55/371740355.db2.gz MHXBZTZWTDKWKR-SECBINFHSA-N 0 0 246.213 2.023 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@H]2C[C@@H]21 ZINC000601165706 371731718 /nfs/dbraw/zinc/73/17/18/371731718.db2.gz TVJPFBWPTXBRJH-APPZFPTMSA-N 0 0 237.234 2.118 20 5 BEBDRN Cc1cc(N[C@H]2C[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000601211648 371738033 /nfs/dbraw/zinc/73/80/33/371738033.db2.gz GUFQKZXUXTUQJO-JGZJWPJOSA-N 0 0 236.271 2.086 20 5 BEBDRN CCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000601940735 371778205 /nfs/dbraw/zinc/77/82/05/371778205.db2.gz RBQJIIWRFMHKCQ-UHFFFAOYSA-N 0 0 247.254 2.406 20 5 BEBDRN Cc1nn(C[C@@H]2C[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000603317742 371881885 /nfs/dbraw/zinc/88/18/85/371881885.db2.gz BXSUBXJOFREBLC-CBAPKCEASA-N 0 0 246.270 2.304 20 5 BEBDRN Cc1cnc(NCC2CSC2)c([N+](=O)[O-])c1 ZINC000603411907 371890558 /nfs/dbraw/zinc/89/05/58/371890558.db2.gz AQRSNWAGEMVMIN-UHFFFAOYSA-N 0 0 239.300 2.073 20 5 BEBDRN COC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000604408808 371974735 /nfs/dbraw/zinc/97/47/35/371974735.db2.gz RONNWCNIIAQJTN-UHFFFAOYSA-N 0 0 242.300 2.272 20 5 BEBDRN Cc1ccc(OCC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000134054140 372153010 /nfs/dbraw/zinc/15/30/10/372153010.db2.gz PDEMSVFNQDFFQN-SECBINFHSA-N 0 0 225.244 2.053 20 5 BEBDRN CC(C)(C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000164759163 372194055 /nfs/dbraw/zinc/19/40/55/372194055.db2.gz ZYZNKODCKXYNAE-UHFFFAOYSA-N 0 0 224.264 2.233 20 5 BEBDRN O=C(NCCC1CC1)c1csc([N+](=O)[O-])c1 ZINC000081021241 182156252 /nfs/dbraw/zinc/15/62/52/182156252.db2.gz PSMORGWRGILPAE-UHFFFAOYSA-N 0 0 240.284 2.186 20 5 BEBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000048826138 182250937 /nfs/dbraw/zinc/25/09/37/182250937.db2.gz WHRDVJKUBPSZRD-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN O=C(NCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000046146738 182258751 /nfs/dbraw/zinc/25/87/51/182258751.db2.gz XFWAZARHMOQZGW-UHFFFAOYSA-N 0 0 246.222 2.118 20 5 BEBDRN Cc1c(OC[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000421832226 206026501 /nfs/dbraw/zinc/02/65/01/206026501.db2.gz FQMWJWJPOVGEED-AOOOYVTPSA-N 0 0 237.255 2.053 20 5 BEBDRN O=C(N[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])o1 ZINC000172487349 182291018 /nfs/dbraw/zinc/29/10/18/182291018.db2.gz BLRHOPQJACVBPC-MRVPVSSYSA-N 0 0 236.227 2.026 20 5 BEBDRN CCCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000049181941 168861408 /nfs/dbraw/zinc/86/14/08/168861408.db2.gz XSUPUTAZOVZVIR-UHFFFAOYSA-N 0 0 236.271 2.433 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000299353736 182362150 /nfs/dbraw/zinc/36/21/50/182362150.db2.gz XVPCBIWUYHUNEH-UHFFFAOYSA-N 0 0 238.218 2.473 20 5 BEBDRN CCCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000071511458 168878766 /nfs/dbraw/zinc/87/87/66/168878766.db2.gz NPZSWHRBJZOQOU-UHFFFAOYSA-N 0 0 209.249 2.389 20 5 BEBDRN CC(=O)c1cccc(Cn2nccc2[N+](=O)[O-])c1 ZINC001643650566 1172483360 /nfs/dbraw/zinc/48/33/60/1172483360.db2.gz TZCOOTLOTONFNP-UHFFFAOYSA-N 0 0 245.238 2.042 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCCOC2)cc1 ZINC000038046378 182936611 /nfs/dbraw/zinc/93/66/11/182936611.db2.gz OBADPHDEFDDANH-JTQLQIEISA-N 0 0 236.271 2.433 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2CCOCC2)cc1 ZINC000051924409 182934526 /nfs/dbraw/zinc/93/45/26/182934526.db2.gz GOJSZBBMVYMCBR-UHFFFAOYSA-N 0 0 236.271 2.433 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CCOCC2)c(F)c1 ZINC000036319998 182935298 /nfs/dbraw/zinc/93/52/98/182935298.db2.gz JTSWGKLTPRDPDI-UHFFFAOYSA-N 0 0 240.234 2.325 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@H]1CCCSC1 ZINC000129203758 182953269 /nfs/dbraw/zinc/95/32/69/182953269.db2.gz OYHPFVAXOBKPAH-MRVPVSSYSA-N 0 0 239.300 2.297 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C2CC2)nc1 ZINC000309495874 182938005 /nfs/dbraw/zinc/93/80/05/182938005.db2.gz KBYABYGXSTURLP-VHSXEESVSA-N 0 0 219.244 2.200 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@H]2O)cc1 ZINC000052006160 182938205 /nfs/dbraw/zinc/93/82/05/182938205.db2.gz IMYWFOMOCWPKJN-VXGBXAGGSA-N 0 0 236.271 2.310 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000336719091 182939526 /nfs/dbraw/zinc/93/95/26/182939526.db2.gz WQIDWAXWRSDOEA-MRVPVSSYSA-N 0 0 241.218 2.149 20 5 BEBDRN O=[N+]([O-])c1ccnn1CCCOc1ccccc1 ZINC000299406551 182955167 /nfs/dbraw/zinc/95/51/67/182955167.db2.gz ODJQCJGGOYZTJB-UHFFFAOYSA-N 0 0 247.254 2.260 20 5 BEBDRN O=[N+]([O-])c1cnc(NCc2ccncc2)s1 ZINC000083363119 182959059 /nfs/dbraw/zinc/95/90/59/182959059.db2.gz NIECEBSAWILRCM-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN CCCN(CC)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000298314718 169119049 /nfs/dbraw/zinc/11/90/49/169119049.db2.gz LYZMSWYSEACJLD-UHFFFAOYSA-N 0 0 236.271 2.467 20 5 BEBDRN CCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000070069191 169251404 /nfs/dbraw/zinc/25/14/04/169251404.db2.gz SNWJDYRMNFSIBV-UHFFFAOYSA-N 0 0 222.244 2.043 20 5 BEBDRN CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000131865804 169252410 /nfs/dbraw/zinc/25/24/10/169252410.db2.gz LADLXRVJNXUBGG-UHFFFAOYSA-N 0 0 242.662 2.388 20 5 BEBDRN CCCOC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000035101663 169301400 /nfs/dbraw/zinc/30/14/00/169301400.db2.gz BNMHUSIFTIHEBY-UHFFFAOYSA-N 0 0 223.228 2.470 20 5 BEBDRN CCCOc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000171933327 169322110 /nfs/dbraw/zinc/32/21/10/169322110.db2.gz NFNJLRPHMKWITE-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN CCC[C@@H](CNc1ccc([N+](=O)[O-])nc1)OC ZINC000356425606 169386039 /nfs/dbraw/zinc/38/60/39/169386039.db2.gz YWKAZCMMDSVDKP-JTQLQIEISA-N 0 0 239.275 2.217 20 5 BEBDRN COc1ccc(OC[C@H](C)OC)c([N+](=O)[O-])c1 ZINC000180913756 134332236 /nfs/dbraw/zinc/33/22/36/134332236.db2.gz NMBMGKNDZQKSPL-QMMMGPOBSA-N 0 0 241.243 2.017 20 5 BEBDRN CCC[C@H](C)N(C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000296550729 169491015 /nfs/dbraw/zinc/49/10/15/169491015.db2.gz OTEJSVDFJJUQLI-QMMMGPOBSA-N 0 0 238.291 2.318 20 5 BEBDRN CCC[C@H](CC)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000194898770 259629859 /nfs/dbraw/zinc/62/98/59/259629859.db2.gz GFYGTUQLYDRVAC-QMMMGPOBSA-N 0 0 240.259 2.496 20 5 BEBDRN CCC[C@@H](CC)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000194898754 259629608 /nfs/dbraw/zinc/62/96/08/259629608.db2.gz GFYGTUQLYDRVAC-MRVPVSSYSA-N 0 0 240.259 2.496 20 5 BEBDRN Cc1nn(C)c(NC[C@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000226531131 134364493 /nfs/dbraw/zinc/36/44/93/134364493.db2.gz MPYVPZRHJKCBIS-MRVPVSSYSA-N 0 0 238.291 2.095 20 5 BEBDRN CC[N@H+](C)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000288376257 383877209 /nfs/dbraw/zinc/87/72/09/383877209.db2.gz KBTJNPNRAOPXDJ-UHFFFAOYSA-N 0 0 241.266 2.098 20 5 BEBDRN CCC[C@@H](O)CNc1c(C)cccc1[N+](=O)[O-] ZINC000112333768 383916834 /nfs/dbraw/zinc/91/68/34/383916834.db2.gz SDJNXLRGYJLYFZ-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCC1=CCCOC1 ZINC000288615922 383925272 /nfs/dbraw/zinc/92/52/72/383925272.db2.gz VFIBCQXJTGGBKS-UHFFFAOYSA-N 0 0 234.255 2.353 20 5 BEBDRN Cc1cc(C(=O)N[C@H]2CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000334457260 383891375 /nfs/dbraw/zinc/89/13/75/383891375.db2.gz OYYCEFQIQFTOKT-KWQFWETISA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1ccnc(NCC2=CCCOC2)c1[N+](=O)[O-] ZINC000288446997 383894506 /nfs/dbraw/zinc/89/45/06/383894506.db2.gz IXQAVKHKJPXAIS-UHFFFAOYSA-N 0 0 249.270 2.057 20 5 BEBDRN C[C@H](CO)CSCc1ccccc1[N+](=O)[O-] ZINC000084211701 383978199 /nfs/dbraw/zinc/97/81/99/383978199.db2.gz OBYHUIBANYCXNY-SECBINFHSA-N 0 0 241.312 2.456 20 5 BEBDRN C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000310151424 383960269 /nfs/dbraw/zinc/96/02/69/383960269.db2.gz PEMMSYQOMJPLHM-GFCCVEGCSA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H]3C2)nc1 ZINC000268107284 384006104 /nfs/dbraw/zinc/00/61/04/384006104.db2.gz BQANJVJGWIFZFW-NXEZZACHSA-N 0 0 233.271 2.226 20 5 BEBDRN Cc1cn(CCC(F)(F)F)nc1[N+](=O)[O-] ZINC000337935001 384073213 /nfs/dbraw/zinc/07/32/13/384073213.db2.gz IFOMOJRAKGQOBM-UHFFFAOYSA-N 0 0 223.154 2.052 20 5 BEBDRN CN(C[C@H]1CCOC1)c1ccc([N+](=O)[O-])s1 ZINC000610516215 384174850 /nfs/dbraw/zinc/17/48/50/384174850.db2.gz OYVHWUDJHIYKEJ-MRVPVSSYSA-N 0 0 242.300 2.129 20 5 BEBDRN CN(C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])s1 ZINC000610516216 384176025 /nfs/dbraw/zinc/17/60/25/384176025.db2.gz OYVHWUDJHIYKEJ-QMMMGPOBSA-N 0 0 242.300 2.129 20 5 BEBDRN C[C@@H](O)CCCOc1ccc(F)cc1[N+](=O)[O-] ZINC000310439041 384168015 /nfs/dbraw/zinc/16/80/15/384168015.db2.gz RYMLUDRUSFOIDK-MRVPVSSYSA-N 0 0 243.234 2.274 20 5 BEBDRN CC/C=C\CCn1cc([N+](=O)[O-])ccc1=O ZINC000362230410 384179214 /nfs/dbraw/zinc/17/92/14/384179214.db2.gz NABGVEQDLFWHFT-ARJAWSKDSA-N 0 0 222.244 2.113 20 5 BEBDRN Cc1nnc(N[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000286544196 384202855 /nfs/dbraw/zinc/20/28/55/384202855.db2.gz PQUQABPVNYTVNT-ZETCQYMHSA-N 0 0 248.242 2.459 20 5 BEBDRN O=c1c([N+](=O)[O-])cccn1CC1=CCCCC1 ZINC000336265350 384196786 /nfs/dbraw/zinc/19/67/86/384196786.db2.gz MVUMMFUQKAFCJO-UHFFFAOYSA-N 0 0 234.255 2.257 20 5 BEBDRN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)CC1 ZINC000601934119 384199133 /nfs/dbraw/zinc/19/91/33/384199133.db2.gz KNDNUGMRQCRYBR-UHFFFAOYSA-N 0 0 233.227 2.098 20 5 BEBDRN O=[N+]([O-])c1cn(C[C@@H]2CCCC2(F)F)cn1 ZINC000336276205 384199287 /nfs/dbraw/zinc/19/92/87/384199287.db2.gz IPQFWXMKCLOCQH-ZETCQYMHSA-N 0 0 231.202 2.227 20 5 BEBDRN COC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1OC ZINC000177669094 384199549 /nfs/dbraw/zinc/19/95/49/384199549.db2.gz MPPPEUUTSHZPHK-MRVPVSSYSA-N 0 0 241.243 2.017 20 5 BEBDRN CO[C@H](C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000286552257 384199949 /nfs/dbraw/zinc/19/99/49/384199949.db2.gz DQLKXGZABCMRAG-SSDOTTSWSA-N 0 0 228.223 2.181 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@H]1CC[C@@H](F)C1 ZINC000336672023 384251692 /nfs/dbraw/zinc/25/16/92/384251692.db2.gz IWCDOYJHWDYOAU-HTQZYQBOSA-N 0 0 225.223 2.292 20 5 BEBDRN CCC1CN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000335453169 384291626 /nfs/dbraw/zinc/29/16/26/384291626.db2.gz YHWXOLLIELLHFR-UHFFFAOYSA-N 0 0 240.284 2.138 20 5 BEBDRN CCC[C@@H](O)CNc1c(F)cccc1[N+](=O)[O-] ZINC000287451615 384295065 /nfs/dbraw/zinc/29/50/65/384295065.db2.gz RPKRPQBCJYXOMY-MRVPVSSYSA-N 0 0 242.250 2.307 20 5 BEBDRN C[C@H](NCCF)c1ccccc1[N+](=O)[O-] ZINC000308808594 384373292 /nfs/dbraw/zinc/37/32/92/384373292.db2.gz PMCSAUIDLWATBG-QMMMGPOBSA-N 0 0 212.224 2.215 20 5 BEBDRN C[C@H](O)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000164916718 384334024 /nfs/dbraw/zinc/33/40/24/384334024.db2.gz LGWVDDKDKGNLSZ-IUCAKERBSA-N 0 0 224.260 2.166 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(Nc2cnn(C)c2)n1 ZINC000359081486 384376173 /nfs/dbraw/zinc/37/61/73/384376173.db2.gz JKUVMECPIQZHSE-UHFFFAOYSA-N 0 0 247.258 2.084 20 5 BEBDRN CCCC1(CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000230150429 384468552 /nfs/dbraw/zinc/46/85/52/384468552.db2.gz QRYUETWZGIQWAU-UHFFFAOYSA-N 0 0 238.291 2.321 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(OC[C@@H]2CCOC2)c1 ZINC000157918067 384485017 /nfs/dbraw/zinc/48/50/17/384485017.db2.gz KLIQGLACPQTPJG-MRVPVSSYSA-N 0 0 241.218 2.149 20 5 BEBDRN O=[N+]([O-])c1cccc(CNc2ccon2)c1 ZINC000083349612 384500835 /nfs/dbraw/zinc/50/08/35/384500835.db2.gz GJOKVQMYVSNYTG-UHFFFAOYSA-N 0 0 219.200 2.195 20 5 BEBDRN CC(C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000070251675 384510123 /nfs/dbraw/zinc/51/01/23/384510123.db2.gz FKYQRJKJVRWJDI-UHFFFAOYSA-N 0 0 236.271 2.209 20 5 BEBDRN CCC1(CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000226807262 384523451 /nfs/dbraw/zinc/52/34/51/384523451.db2.gz ZYDRVNAEELTRPF-UHFFFAOYSA-N 0 0 238.291 2.239 20 5 BEBDRN Cc1nc(N2[C@H](C)CC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000450381973 384740272 /nfs/dbraw/zinc/74/02/72/384740272.db2.gz WEVUWNBCUKGIMH-OCAPTIKFSA-N 0 0 236.275 2.070 20 5 BEBDRN C[C@H]1CSC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000309507427 384761112 /nfs/dbraw/zinc/76/11/12/384761112.db2.gz WILNONDZZMKLHH-IONNQARKSA-N 0 0 239.300 2.153 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)C2)n1 ZINC000268825942 384815645 /nfs/dbraw/zinc/81/56/45/384815645.db2.gz QTSFIQZUCXLILM-MRVPVSSYSA-N 0 0 221.260 2.144 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCc1ncccn1 ZINC000188130537 384818150 /nfs/dbraw/zinc/81/81/50/384818150.db2.gz HIRZJIWIXIDAIZ-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN Cc1ccc(N[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000103956807 384790880 /nfs/dbraw/zinc/79/08/80/384790880.db2.gz HOIGPIKTPURRHN-JTQLQIEISA-N 0 0 236.271 2.494 20 5 BEBDRN C/C=C(\C)C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000178248149 384841098 /nfs/dbraw/zinc/84/10/98/384841098.db2.gz ZMJKDTUOAYGLLR-QPJJXVBHSA-N 0 0 235.243 2.203 20 5 BEBDRN Cc1ccc(N[C@H]2CCO[C@H]2C)c([N+](=O)[O-])c1 ZINC000147563842 384843758 /nfs/dbraw/zinc/84/37/58/384843758.db2.gz DSWVTHKVIAJWCB-UWVGGRQHSA-N 0 0 236.271 2.493 20 5 BEBDRN CO[C@@H](C)COc1ccc([N+](=O)[O-])cc1F ZINC000180965364 384860727 /nfs/dbraw/zinc/86/07/27/384860727.db2.gz HRBRBLJMZZJCFI-ZETCQYMHSA-N 0 0 229.207 2.148 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@H](C)C2)n1 ZINC000268857929 384867187 /nfs/dbraw/zinc/86/71/87/384867187.db2.gz ZRRCNLJSPINIOA-RKDXNWHRSA-N 0 0 235.287 2.390 20 5 BEBDRN CO[C@@H](C)COc1ccc([N+](=O)[O-])cc1C ZINC000181040133 384891983 /nfs/dbraw/zinc/89/19/83/384891983.db2.gz RKAZRTOTEFHOMO-VIFPVBQESA-N 0 0 225.244 2.317 20 5 BEBDRN CC[C@H](CCO)Nc1ccc([N+](=O)[O-])cc1F ZINC000077232407 384895359 /nfs/dbraw/zinc/89/53/59/384895359.db2.gz BYPDPFXDMNAPDW-MRVPVSSYSA-N 0 0 242.250 2.307 20 5 BEBDRN C[C@H](CCO)CNc1ccccc1[N+](=O)[O-] ZINC000085132210 385032533 /nfs/dbraw/zinc/03/25/33/385032533.db2.gz MRUZBMLKYHIGFP-SECBINFHSA-N 0 0 224.260 2.025 20 5 BEBDRN O=[N+]([O-])c1ccccc1OCCOCC(F)F ZINC000189157724 385095436 /nfs/dbraw/zinc/09/54/36/385095436.db2.gz GJZFFQLDIYYYNC-UHFFFAOYSA-N 0 0 247.197 2.255 20 5 BEBDRN C[C@@H]1C[C@@H](C)N(c2ncc([N+](=O)[O-])s2)C1 ZINC000573055687 385181722 /nfs/dbraw/zinc/18/17/22/385181722.db2.gz HRAIDBQTZPSZRO-RNFRBKRXSA-N 0 0 227.289 2.286 20 5 BEBDRN CSCCCNc1ccc([N+](=O)[O-])cn1 ZINC000069012715 385186440 /nfs/dbraw/zinc/18/64/40/385186440.db2.gz UCZOVTYLWDWZIJ-UHFFFAOYSA-N 0 0 227.289 2.155 20 5 BEBDRN CN(CCC1CC1)c1ccc([N+](=O)[O-])cn1 ZINC000120276577 385190873 /nfs/dbraw/zinc/19/08/73/385190873.db2.gz SSGNFWUKWAMCEG-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CCCOC2)c(F)c1 ZINC000109548493 385174531 /nfs/dbraw/zinc/17/45/31/385174531.db2.gz WCIKSPNCCQPSKJ-QMMMGPOBSA-N 0 0 240.234 2.325 20 5 BEBDRN Cc1cnc(NCC2CC2)c([N+](=O)[O-])c1 ZINC000085426794 385176137 /nfs/dbraw/zinc/17/61/37/385176137.db2.gz DZOGBLQBJNHQHH-UHFFFAOYSA-N 0 0 207.233 2.120 20 5 BEBDRN CC(C)OC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000062489578 385177246 /nfs/dbraw/zinc/17/72/46/385177246.db2.gz HFXDADAFUIZZIQ-UHFFFAOYSA-N 0 0 227.191 2.299 20 5 BEBDRN C[C@@H](O)CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000287830486 385238984 /nfs/dbraw/zinc/23/89/84/385238984.db2.gz QVNJVMPYRLRKAP-MRVPVSSYSA-N 0 0 242.250 2.307 20 5 BEBDRN CCSCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000338556225 385252566 /nfs/dbraw/zinc/25/25/66/385252566.db2.gz FFJJVVHESDRJKM-UHFFFAOYSA-N 0 0 248.691 2.121 20 5 BEBDRN C[C@@H](F)CCNc1ncccc1[N+](=O)[O-] ZINC000338751623 385273412 /nfs/dbraw/zinc/27/34/12/385273412.db2.gz OKNFDVOYPVNXSM-SSDOTTSWSA-N 0 0 213.212 2.150 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(NCCF)c(F)c1 ZINC000280812882 385376342 /nfs/dbraw/zinc/37/63/42/385376342.db2.gz UCONTNQGRLBLFW-UHFFFAOYSA-N 0 0 220.150 2.254 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2=CCCOC2)cc1 ZINC000340908027 385451243 /nfs/dbraw/zinc/45/12/43/385451243.db2.gz XZRONPDUCUXEKD-UHFFFAOYSA-N 0 0 234.255 2.353 20 5 BEBDRN CC[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])OC ZINC000290635404 385505767 /nfs/dbraw/zinc/50/57/67/385505767.db2.gz HNSIXJSWTCSGHJ-VIFPVBQESA-N 0 0 239.275 2.014 20 5 BEBDRN C[C@H]1CCCC[C@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000564345798 385537172 /nfs/dbraw/zinc/53/71/72/385537172.db2.gz DNNQNJQXNOXTJW-IUCAKERBSA-N 0 0 224.264 2.013 20 5 BEBDRN CSCCCN(C)c1ncc([N+](=O)[O-])s1 ZINC000281908453 385714485 /nfs/dbraw/zinc/71/44/85/385714485.db2.gz NFHQHZOAYMPZJZ-UHFFFAOYSA-N 0 0 247.345 2.241 20 5 BEBDRN CN(Cc1ccon1)Cc1cccc([N+](=O)[O-])c1 ZINC000265755730 385767959 /nfs/dbraw/zinc/76/79/59/385767959.db2.gz GGGPFNWSIRGROI-UHFFFAOYSA-N 0 0 247.254 2.215 20 5 BEBDRN Cc1cnc([C@H](C)n2cc([N+](=O)[O-])c(C)n2)o1 ZINC000332694960 385902869 /nfs/dbraw/zinc/90/28/69/385902869.db2.gz VVZSFHXGSWNROX-QMMMGPOBSA-N 0 0 236.231 2.005 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2(CF)CCC2)cn1 ZINC000569479251 385994900 /nfs/dbraw/zinc/99/49/00/385994900.db2.gz CDSGGMPJFHJVID-UHFFFAOYSA-N 0 0 225.223 2.294 20 5 BEBDRN CC(C)[C@@]1(C)C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000397201532 385943045 /nfs/dbraw/zinc/94/30/45/385943045.db2.gz WGUPLLKVGZWWSQ-MWLCHTKSSA-N 0 0 236.275 2.231 20 5 BEBDRN Cc1ccc(CNC(CF)CF)cc1[N+](=O)[O-] ZINC000449374401 386011298 /nfs/dbraw/zinc/01/12/98/386011298.db2.gz YZXSTMQMYUQIEB-UHFFFAOYSA-N 0 0 244.241 2.300 20 5 BEBDRN Cc1nn(C)c(Oc2ccc(C)nc2)c1[N+](=O)[O-] ZINC000265108189 386018120 /nfs/dbraw/zinc/01/81/20/386018120.db2.gz GWBDERGRBRENCZ-UHFFFAOYSA-N 0 0 248.242 2.132 20 5 BEBDRN C[C@@H]1C[C@H]1NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000151217092 386030175 /nfs/dbraw/zinc/03/01/75/386030175.db2.gz RGFLTKFDOLKXNV-BXKDBHETSA-N 0 0 248.282 2.052 20 5 BEBDRN CC(C)C1(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000293945452 386146342 /nfs/dbraw/zinc/14/63/42/386146342.db2.gz OIDALWRSSFQZKQ-UHFFFAOYSA-N 0 0 238.243 2.106 20 5 BEBDRN CCC[C@H](O)CNc1cccc(C)c1[N+](=O)[O-] ZINC000218853891 386280336 /nfs/dbraw/zinc/28/03/36/386280336.db2.gz XWBGHFPGNKYJOH-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1ccnc(NCCn2cccc2)c1[N+](=O)[O-] ZINC000267269168 386311428 /nfs/dbraw/zinc/31/14/28/386311428.db2.gz LYRUGLXIHCJQNV-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[C@H]2C)c1 ZINC000294037222 386322187 /nfs/dbraw/zinc/32/21/87/386322187.db2.gz JZAOZNDZTWTUHG-VHSXEESVSA-N 0 0 248.282 2.384 20 5 BEBDRN CC[C@H](O)CCNc1cccc(C)c1[N+](=O)[O-] ZINC000218869146 386331225 /nfs/dbraw/zinc/33/12/25/386331225.db2.gz VWVATYIVYTWPBT-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC([C@@H]3CCOC3)C2)cc1 ZINC000366497117 386443136 /nfs/dbraw/zinc/44/31/36/386443136.db2.gz YSZIDGHSFGAELF-SNVBAGLBSA-N 0 0 248.282 2.068 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@H](O)C1CCC1 ZINC000315906365 259688193 /nfs/dbraw/zinc/68/81/93/259688193.db2.gz UDYGSGNSQRRUPN-LBPRGKRZSA-N 0 0 236.271 2.168 20 5 BEBDRN O=C(CC1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000298827514 386388702 /nfs/dbraw/zinc/38/87/02/386388702.db2.gz SNFWVEYWCOJDKQ-UHFFFAOYSA-N 0 0 238.218 2.473 20 5 BEBDRN CC[C@@H](CO)N(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000294153270 386435565 /nfs/dbraw/zinc/43/55/65/386435565.db2.gz QGUJJUCLKBMOPS-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN CO[C@H](C)[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000229376681 386462511 /nfs/dbraw/zinc/46/25/11/386462511.db2.gz CIWSEOFOWMESKK-DTWKUNHWSA-N 0 0 224.260 2.430 20 5 BEBDRN Cc1noc(C)c1CNc1ncccc1[N+](=O)[O-] ZINC000063255161 386465395 /nfs/dbraw/zinc/46/53/95/386465395.db2.gz WKHVLNMUBQQRCL-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC(C)[C@@]1(C)C[C@@H]1Nc1ccncc1[N+](=O)[O-] ZINC000397289481 386579677 /nfs/dbraw/zinc/57/96/77/386579677.db2.gz KSWJFZLHYPSWNK-NWDGAFQWSA-N 0 0 235.287 2.258 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCc1ccc(F)cn1 ZINC000357182101 386544872 /nfs/dbraw/zinc/54/48/72/386544872.db2.gz QGQYYHPYDSPTJU-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN CS[C@H](C)CNc1nccc(C)c1[N+](=O)[O-] ZINC000128831658 386622512 /nfs/dbraw/zinc/62/25/12/386622512.db2.gz OGRNEFFKZJGNQQ-MRVPVSSYSA-N 0 0 241.316 2.462 20 5 BEBDRN Nc1ccc(NCc2ccccc2)nc1[N+](=O)[O-] ZINC000307419728 386647233 /nfs/dbraw/zinc/64/72/33/386647233.db2.gz QGMMDADTAZQDIR-UHFFFAOYSA-N 0 0 244.254 2.184 20 5 BEBDRN CCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186301599 386678034 /nfs/dbraw/zinc/67/80/34/386678034.db2.gz DNSWWRKRUFEDPL-UHFFFAOYSA-N 0 0 242.662 2.274 20 5 BEBDRN O=[N+]([O-])c1cnc(N2C[C@H]3CCC[C@@H]3C2)s1 ZINC000190334612 386656767 /nfs/dbraw/zinc/65/67/67/386656767.db2.gz LRWNRSXWZQQWSL-HTQZYQBOSA-N 0 0 239.300 2.288 20 5 BEBDRN C[C@@H](CO)CSc1sccc1[N+](=O)[O-] ZINC000302017992 386692165 /nfs/dbraw/zinc/69/21/65/386692165.db2.gz MLSQINOZSKJQBR-LURJTMIESA-N 0 0 233.314 2.377 20 5 BEBDRN O=C(C=C1CCC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000087157212 386693228 /nfs/dbraw/zinc/69/32/28/386693228.db2.gz MRXNKOWBGQVEJL-UHFFFAOYSA-N 0 0 246.266 2.321 20 5 BEBDRN C[C@@H](F)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000356677314 386716587 /nfs/dbraw/zinc/71/65/87/386716587.db2.gz PNSOTJFWAFGUMD-MRVPVSSYSA-N 0 0 240.234 2.073 20 5 BEBDRN C[C@H](CO)SCc1ccc([N+](=O)[O-])cc1F ZINC000266996022 386741906 /nfs/dbraw/zinc/74/19/06/386741906.db2.gz BCHUDFBIDJETOE-SSDOTTSWSA-N 0 0 245.275 2.348 20 5 BEBDRN CN(Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000267012439 386744508 /nfs/dbraw/zinc/74/45/08/386744508.db2.gz HVFJJTAONWKXHY-UHFFFAOYSA-N 0 0 224.235 2.328 20 5 BEBDRN CCN(CCOC)c1cc(C)ccc1[N+](=O)[O-] ZINC000268046554 386819698 /nfs/dbraw/zinc/81/96/98/386819698.db2.gz QKLVIYBQTYRPLH-UHFFFAOYSA-N 0 0 238.287 2.376 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000408447402 386824039 /nfs/dbraw/zinc/82/40/39/386824039.db2.gz DOFPEUIQDUSPIJ-PHIMTYICSA-N 0 0 248.282 2.271 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@@H]2O)cc1 ZINC000089167292 387183280 /nfs/dbraw/zinc/18/32/80/387183280.db2.gz DLECITLHNYKLIE-SKDRFNHKSA-N 0 0 236.271 2.168 20 5 BEBDRN O=C(COc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000269326426 387315607 /nfs/dbraw/zinc/31/56/07/387315607.db2.gz GUATYLPGJGSDFN-UHFFFAOYSA-N 0 0 239.202 2.092 20 5 BEBDRN CO[C@H](C)CNc1ccc([N+](=O)[O-])cc1C ZINC000224330687 387292094 /nfs/dbraw/zinc/29/20/94/387292094.db2.gz OFLZAASRHHMWFW-SECBINFHSA-N 0 0 224.260 2.350 20 5 BEBDRN C[C@H]1OCC[C@@H]1Sc1ccc([N+](=O)[O-])cn1 ZINC000269978810 387294628 /nfs/dbraw/zinc/29/46/28/387294628.db2.gz ZSRGTRHATMTALG-APPZFPTMSA-N 0 0 240.284 2.259 20 5 BEBDRN CC[C@H]1CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295699144 387359549 /nfs/dbraw/zinc/35/95/49/387359549.db2.gz PTQRVXDQAJLPAS-QMMMGPOBSA-N 0 0 246.270 2.460 20 5 BEBDRN O=Cc1ccc(OCCCF)c([N+](=O)[O-])c1 ZINC000088025401 387517674 /nfs/dbraw/zinc/51/76/74/387517674.db2.gz KENHKUIFNZWYSI-UHFFFAOYSA-N 0 0 227.191 2.146 20 5 BEBDRN C[C@H](C1CCC1)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000354573602 387592132 /nfs/dbraw/zinc/59/21/32/387592132.db2.gz SASPAHKJMTZPCP-MRVPVSSYSA-N 0 0 236.275 2.010 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCCC3(CC3)C2)s1 ZINC000192535571 387619899 /nfs/dbraw/zinc/61/98/99/387619899.db2.gz FQMPNKVHSZWMLC-UHFFFAOYSA-N 0 0 239.300 2.432 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC(F)F)c(Cl)c1 ZINC000075059914 387683773 /nfs/dbraw/zinc/68/37/73/387683773.db2.gz ZLGRROOPKWDMSW-UHFFFAOYSA-N 0 0 237.593 2.320 20 5 BEBDRN Cc1ccc2oc(-n3cc([N+](=O)[O-])cn3)nc2c1 ZINC000356902986 387743921 /nfs/dbraw/zinc/74/39/21/387743921.db2.gz GPOOQMZCQMOGIG-UHFFFAOYSA-N 0 0 244.210 2.230 20 5 BEBDRN C[C@H](CCCO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000088758513 387721849 /nfs/dbraw/zinc/72/18/49/387721849.db2.gz AMJOKPVLCJBVDB-MRVPVSSYSA-N 0 0 242.250 2.307 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N(C)C(C)C)n1 ZINC000359080052 177876396 /nfs/dbraw/zinc/87/63/96/177876396.db2.gz DTAHHPPMTGBCEZ-UHFFFAOYSA-N 0 0 223.276 2.451 20 5 BEBDRN Cc1cc(C)c(O[C@@H](C)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000094654922 177869641 /nfs/dbraw/zinc/86/96/41/177869641.db2.gz BPXRJBNIYNWTQA-ZJUUUORDSA-N 0 0 239.271 2.360 20 5 BEBDRN CCC1(Nc2ncc([N+](=O)[O-])s2)CC1 ZINC000296400380 387961557 /nfs/dbraw/zinc/96/15/57/387961557.db2.gz VSSRIILGSNOGSS-UHFFFAOYSA-N 0 0 213.262 2.406 20 5 BEBDRN Cc1cnc(N[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000231145068 388014246 /nfs/dbraw/zinc/01/42/46/388014246.db2.gz GDHBPBNWHCOPOW-MRVPVSSYSA-N 0 0 239.300 2.216 20 5 BEBDRN C[C@H](O)CSc1ccc([N+](=O)[O-])cc1F ZINC000193442909 388351826 /nfs/dbraw/zinc/35/18/26/388351826.db2.gz ZEYYGYDRBJEDQM-LURJTMIESA-N 0 0 231.248 2.207 20 5 BEBDRN O=C(/C=C\C1CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000491950576 388352368 /nfs/dbraw/zinc/35/23/68/388352368.db2.gz SQSHZNDNLKTCTO-SREVYHEPSA-N 0 0 246.266 2.177 20 5 BEBDRN CCCCN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000057026405 388355419 /nfs/dbraw/zinc/35/54/19/388355419.db2.gz JOZJPNNCZPASBA-UHFFFAOYSA-N 0 0 236.271 2.467 20 5 BEBDRN CC[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193473433 388355583 /nfs/dbraw/zinc/35/55/83/388355583.db2.gz QSPIWGAIPGQPQT-VIFPVBQESA-N 0 0 235.287 2.413 20 5 BEBDRN C[C@@H]1C[C@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000352912108 388364580 /nfs/dbraw/zinc/36/45/80/388364580.db2.gz JBHLAYXLHNXACZ-KOLCDFICSA-N 0 0 248.282 2.257 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCCC1(O)CC1 ZINC000442852625 388366391 /nfs/dbraw/zinc/36/63/91/388366391.db2.gz LCBOGDIGZKKZTN-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN O=c1c([N+](=O)[O-])cccn1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000594888447 388369739 /nfs/dbraw/zinc/36/97/39/388369739.db2.gz YGWBUKQJUKITKH-MXWKQRLJSA-N 0 0 248.282 2.193 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCCC[C@@H](C)O)c1 ZINC000227997588 388374911 /nfs/dbraw/zinc/37/49/11/388374911.db2.gz KVORGJQBQRGTPE-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN CSC1(CNc2ncccc2[N+](=O)[O-])CC1 ZINC000227989934 388374918 /nfs/dbraw/zinc/37/49/18/388374918.db2.gz YATYSLUYYZTMHZ-UHFFFAOYSA-N 0 0 239.300 2.297 20 5 BEBDRN CC(C)(CF)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000354368267 388379313 /nfs/dbraw/zinc/37/93/13/388379313.db2.gz UHMNHWWGUAZVHX-UHFFFAOYSA-N 0 0 246.263 2.134 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(F)F ZINC000549195465 388379685 /nfs/dbraw/zinc/37/96/85/388379685.db2.gz LTGKBDHZUSRVPV-UHFFFAOYSA-N 0 0 248.233 2.187 20 5 BEBDRN CO[C@H](C)COc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000354551851 388381131 /nfs/dbraw/zinc/38/11/31/388381131.db2.gz ZCFVFFOADZJYEU-SECBINFHSA-N 0 0 240.259 2.020 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCCCCCO)c1 ZINC000228726550 388387714 /nfs/dbraw/zinc/38/77/14/388387714.db2.gz VABHFVLSJGLJGP-UHFFFAOYSA-N 0 0 238.287 2.478 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1CSCC1CCC1 ZINC000357046207 388391318 /nfs/dbraw/zinc/39/13/18/388391318.db2.gz XWMCOJRDCXSVBQ-UHFFFAOYSA-N 0 0 241.316 2.362 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCc2ccon2)c1 ZINC000357654370 388393754 /nfs/dbraw/zinc/39/37/54/388393754.db2.gz LZPZXAJOGZPWIX-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN CSCCCN(C)c1ccc([N+](=O)[O-])nc1 ZINC000357677805 388395078 /nfs/dbraw/zinc/39/50/78/388395078.db2.gz ASGUKCWRTOSHQB-UHFFFAOYSA-N 0 0 241.316 2.179 20 5 BEBDRN CO[C@@H]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000193850882 388467352 /nfs/dbraw/zinc/46/73/52/388467352.db2.gz AQBGPGLBCJQGPZ-RNFRBKRXSA-N 0 0 243.288 2.031 20 5 BEBDRN Cc1ccc(N[C@@H](C)c2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000226500208 388500936 /nfs/dbraw/zinc/50/09/36/388500936.db2.gz OCQMHDBCESQYEJ-QMMMGPOBSA-N 0 0 247.258 2.194 20 5 BEBDRN CCO[C@H]1C[C@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000553231196 388588984 /nfs/dbraw/zinc/58/89/84/388588984.db2.gz XPDDSFRGXUPSHX-SCZZXKLOSA-N 0 0 240.234 2.323 20 5 BEBDRN CCO[C@@H]1C[C@@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000553231197 388589114 /nfs/dbraw/zinc/58/91/14/388589114.db2.gz XPDDSFRGXUPSHX-WCBMZHEXSA-N 0 0 240.234 2.323 20 5 BEBDRN O=C(CC1CC1)NCc1ccccc1[N+](=O)[O-] ZINC000298668893 388596633 /nfs/dbraw/zinc/59/66/33/388596633.db2.gz ZVNFVVJTHWBRAK-UHFFFAOYSA-N 0 0 234.255 2.011 20 5 BEBDRN CC(C)[C@@H](O)CCNc1ccccc1[N+](=O)[O-] ZINC000301421461 388581647 /nfs/dbraw/zinc/58/16/47/388581647.db2.gz NRDUAAZBRJHTIC-LBPRGKRZSA-N 0 0 238.287 2.414 20 5 BEBDRN CC[C@H](COc1ccccc1[N+](=O)[O-])OC ZINC000416888080 388672338 /nfs/dbraw/zinc/67/23/38/388672338.db2.gz PNUXDNCNRXGIAN-SECBINFHSA-N 0 0 225.244 2.399 20 5 BEBDRN CC[C@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000054474337 388686234 /nfs/dbraw/zinc/68/62/34/388686234.db2.gz ATUAZCQTAJBMEJ-QMMMGPOBSA-N 0 0 209.249 2.448 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(Nc2cn[nH]c2)c(F)c1 ZINC000301762679 388675949 /nfs/dbraw/zinc/67/59/49/388675949.db2.gz BZJDGWLWTHDILK-UHFFFAOYSA-N 0 0 240.169 2.340 20 5 BEBDRN Cc1cc(C(=O)N[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000298918839 388676055 /nfs/dbraw/zinc/67/60/55/388676055.db2.gz BMWFBUGGYRGRGT-LLVKDONJSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1c(C(=O)N[C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000298932922 388676308 /nfs/dbraw/zinc/67/63/08/388676308.db2.gz DPLRMSDPOGONIU-NSHDSACASA-N 0 0 248.282 2.432 20 5 BEBDRN CC[C@H](O)[C@H](CC)Nc1ncc([N+](=O)[O-])s1 ZINC000313167704 388681808 /nfs/dbraw/zinc/68/18/08/388681808.db2.gz UMPACTUDAIROHA-BQBZGAKWSA-N 0 0 245.304 2.013 20 5 BEBDRN COC[C@@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000078963452 388686675 /nfs/dbraw/zinc/68/66/75/388686675.db2.gz UPSRHYUTMODCGJ-SSDOTTSWSA-N 0 0 228.273 2.117 20 5 BEBDRN CCC1(CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000297531988 388683981 /nfs/dbraw/zinc/68/39/81/388683981.db2.gz PHHLZIWSWUPGKD-UHFFFAOYSA-N 0 0 236.275 2.295 20 5 BEBDRN CN(c1ncc([N+](=O)[O-])cn1)C(C1CC1)C1CC1 ZINC000273665554 388628709 /nfs/dbraw/zinc/62/87/09/388628709.db2.gz WTNLGQZQXXYKCT-UHFFFAOYSA-N 0 0 248.286 2.010 20 5 BEBDRN COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000078739736 388684519 /nfs/dbraw/zinc/68/45/19/388684519.db2.gz INUPLTYGEFAIEL-ZCFIWIBFSA-N 0 0 227.191 2.010 20 5 BEBDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000018207525 388651617 /nfs/dbraw/zinc/65/16/17/388651617.db2.gz DUJYNHMIZNSVRF-MRVPVSSYSA-N 0 0 234.255 2.123 20 5 BEBDRN Cc1cnn(Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000078805534 388685524 /nfs/dbraw/zinc/68/55/24/388685524.db2.gz MNZJDAKZUKZZES-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(Nc2cn[nH]c2)c1 ZINC000446894384 388734165 /nfs/dbraw/zinc/73/41/65/388734165.db2.gz LYQIKQOEEYXBKH-UHFFFAOYSA-N 0 0 218.216 2.370 20 5 BEBDRN Cc1nc(C)n(CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000275874512 388736942 /nfs/dbraw/zinc/73/69/42/388736942.db2.gz KTUNKIAODLFSGB-UHFFFAOYSA-N 0 0 246.270 2.046 20 5 BEBDRN CC(C)[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330510142 388757428 /nfs/dbraw/zinc/75/74/28/388757428.db2.gz AWVVMKYQIUTXHA-QMMMGPOBSA-N 0 0 239.275 2.039 20 5 BEBDRN C[C@H](NCc1ccon1)c1ccccc1[N+](=O)[O-] ZINC000093326685 388741267 /nfs/dbraw/zinc/74/12/67/388741267.db2.gz XPWOGNVGONTQMK-VIFPVBQESA-N 0 0 247.254 2.434 20 5 BEBDRN CC(C)=CCCNc1c([N+](=O)[O-])c(C)nn1C ZINC000276790288 388741615 /nfs/dbraw/zinc/74/16/15/388741615.db2.gz PJHVTCIJEAGGER-UHFFFAOYSA-N 0 0 238.291 2.405 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2ccoc2)cn1 ZINC000124334895 388745022 /nfs/dbraw/zinc/74/50/22/388745022.db2.gz WWVMPOJLZNHVIQ-UHFFFAOYSA-N 0 0 219.200 2.195 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1CNC(CF)CF ZINC000449382375 388748114 /nfs/dbraw/zinc/74/81/14/388748114.db2.gz WLHOOZPKVWBZEQ-UHFFFAOYSA-N 0 0 244.241 2.300 20 5 BEBDRN CSCCCOc1cccnc1[N+](=O)[O-] ZINC000078935407 388687420 /nfs/dbraw/zinc/68/74/20/388687420.db2.gz ZMIRRXDGCKMAAQ-UHFFFAOYSA-N 0 0 228.273 2.122 20 5 BEBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000193542456 388708346 /nfs/dbraw/zinc/70/83/46/388708346.db2.gz YMHCBWUJXSKNRZ-UHFFFAOYSA-N 0 0 236.271 2.465 20 5 BEBDRN CCOCCNc1sccc1[N+](=O)[O-] ZINC000301930738 388715911 /nfs/dbraw/zinc/71/59/11/388715911.db2.gz KVHKRUKJPDURPK-UHFFFAOYSA-N 0 0 216.262 2.105 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCO)c2ccccc21 ZINC000070073298 388728129 /nfs/dbraw/zinc/72/81/29/388728129.db2.gz ZVFLGDASSJSPLR-UHFFFAOYSA-N 0 0 233.223 2.119 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCC(F)F ZINC000301994340 388728648 /nfs/dbraw/zinc/72/86/48/388728648.db2.gz GXOQQUQBALTSOX-UHFFFAOYSA-N 0 0 208.189 2.333 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2(CCO)CC2)c(F)c1 ZINC000431494431 388731296 /nfs/dbraw/zinc/73/12/96/388731296.db2.gz GFHVMXMDMPWQES-UHFFFAOYSA-N 0 0 240.234 2.061 20 5 BEBDRN CC(=O)c1ccn(Cc2ccccc2[N+](=O)[O-])n1 ZINC000431498019 388731576 /nfs/dbraw/zinc/73/15/76/388731576.db2.gz ZODGUUAHALIQFI-UHFFFAOYSA-N 0 0 245.238 2.042 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCC1(CO)CCC1 ZINC000096032580 388805621 /nfs/dbraw/zinc/80/56/21/388805621.db2.gz NEMHILHQAQWVNX-UHFFFAOYSA-N 0 0 236.271 2.169 20 5 BEBDRN CC(C)(C)CCCn1cnc([N+](=O)[O-])n1 ZINC000330709149 388759774 /nfs/dbraw/zinc/75/97/74/388759774.db2.gz NWYSBBUTLSEJQB-UHFFFAOYSA-N 0 0 212.253 2.013 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000193225183 388813080 /nfs/dbraw/zinc/81/30/80/388813080.db2.gz KEECRHNMKONHSD-KOLCDFICSA-N 0 0 248.282 2.209 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1NCCF ZINC000280698533 388785895 /nfs/dbraw/zinc/78/58/95/388785895.db2.gz GMOXIZFGNWITTD-UHFFFAOYSA-N 0 0 202.160 2.115 20 5 BEBDRN Cc1nnc([C@@H](C)Oc2ccc([N+](=O)[O-])cc2)o1 ZINC000299523577 388838850 /nfs/dbraw/zinc/83/88/50/388838850.db2.gz LSJLFYSMFZZRIU-SSDOTTSWSA-N 0 0 249.226 2.426 20 5 BEBDRN CC(=O)[C@@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000194661872 388861341 /nfs/dbraw/zinc/86/13/41/388861341.db2.gz MDLLWFAATKRSMB-SSDOTTSWSA-N 0 0 226.257 2.059 20 5 BEBDRN O=[N+]([O-])c1cccnc1SC[C@@H]1CCOC1 ZINC000194658098 388861673 /nfs/dbraw/zinc/86/16/73/388861673.db2.gz PPLFBZKUFHPTCG-MRVPVSSYSA-N 0 0 240.284 2.118 20 5 BEBDRN Cc1c(OC(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000120113145 177625194 /nfs/dbraw/zinc/62/51/94/177625194.db2.gz QBGYUBJMGJGWPN-UHFFFAOYSA-N 0 0 223.228 2.465 20 5 BEBDRN Cc1c(OC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000330469717 177625243 /nfs/dbraw/zinc/62/52/43/177625243.db2.gz VNXYSSBWRONKAW-SNVBAGLBSA-N 0 0 237.255 2.319 20 5 BEBDRN CC(C)CCCNc1c([N+](=O)[O-])ncn1C ZINC000026719634 166817202 /nfs/dbraw/zinc/81/72/02/166817202.db2.gz ZMNJZGPQFCSPCB-UHFFFAOYSA-N 0 0 226.280 2.176 20 5 BEBDRN Cc1cnc(N2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000270245711 132196301 /nfs/dbraw/zinc/19/63/01/132196301.db2.gz XLPBMBLJVCKZTQ-UHFFFAOYSA-N 0 0 233.271 2.455 20 5 BEBDRN C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000270988081 132198419 /nfs/dbraw/zinc/19/84/19/132198419.db2.gz UAGUQGKWAFESSO-ZJUUUORDSA-N 0 0 235.287 2.472 20 5 BEBDRN Cc1ccnc(N2CCC=C(F)C2)c1[N+](=O)[O-] ZINC000272522083 132200746 /nfs/dbraw/zinc/20/07/46/132200746.db2.gz NUEOVKVQUKARIF-UHFFFAOYSA-N 0 0 237.234 2.362 20 5 BEBDRN C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)[C@H]1C ZINC000273658609 132202269 /nfs/dbraw/zinc/20/22/69/132202269.db2.gz VSRAOBHDPIIKQJ-BDAKNGLRSA-N 0 0 236.275 2.010 20 5 BEBDRN COCC1=CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000274731933 132203954 /nfs/dbraw/zinc/20/39/54/132203954.db2.gz LSKBBJYYKSKATC-UHFFFAOYSA-N 0 0 248.282 2.378 20 5 BEBDRN CC1=CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000280803657 132210914 /nfs/dbraw/zinc/21/09/14/132210914.db2.gz SHJQEBNTLIKCSR-UHFFFAOYSA-N 0 0 219.244 2.146 20 5 BEBDRN Cc1nc(N2CCC=C(C)C2)ccc1[N+](=O)[O-] ZINC000280824409 132211141 /nfs/dbraw/zinc/21/11/41/132211141.db2.gz VHKULVHDLKPNRH-UHFFFAOYSA-N 0 0 233.271 2.455 20 5 BEBDRN Cc1ccc(N2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000369956979 132284547 /nfs/dbraw/zinc/28/45/47/132284547.db2.gz AKKZEQASGSGOPU-PHIMTYICSA-N 0 0 248.282 2.271 20 5 BEBDRN C[C@@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192761043 132449596 /nfs/dbraw/zinc/44/95/96/132449596.db2.gz VGHWKMXDCPSMIO-SECBINFHSA-N 0 0 235.287 2.413 20 5 BEBDRN CCOc1cc(N2CC(F)C2)ccc1[N+](=O)[O-] ZINC000343567118 133696679 /nfs/dbraw/zinc/69/66/79/133696679.db2.gz XYETUWVMGHVXHF-UHFFFAOYSA-N 0 0 240.234 2.152 20 5 BEBDRN Cc1cccc(C(=O)N[C@H]2CC[C@H]2C)c1[N+](=O)[O-] ZINC000335948817 134021065 /nfs/dbraw/zinc/02/10/65/134021065.db2.gz HONHOBXYSYTFOR-KCJUWKMLSA-N 0 0 248.282 2.432 20 5 BEBDRN C[C@@H]1C[C@H](C)CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000336184173 134120756 /nfs/dbraw/zinc/12/07/56/134120756.db2.gz CDJLGGOJUASLPI-VHSXEESVSA-N 0 0 248.282 2.465 20 5 BEBDRN Cc1cccc(N[C@H](C)C[C@H](C)O)c1[N+](=O)[O-] ZINC000218882020 134265549 /nfs/dbraw/zinc/26/55/49/134265549.db2.gz JJRSKEWSYJZCRL-ZJUUUORDSA-N 0 0 238.287 2.475 20 5 BEBDRN C[C@@H](O)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000228000418 134399568 /nfs/dbraw/zinc/39/95/68/134399568.db2.gz LAAJGYDVVRKDLF-MRVPVSSYSA-N 0 0 242.250 2.307 20 5 BEBDRN CC1(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000232834540 134556975 /nfs/dbraw/zinc/55/69/75/134556975.db2.gz XLXCNQMGKNTNGF-UHFFFAOYSA-N 0 0 213.262 2.263 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCc1ccon1 ZINC000086443390 135085692 /nfs/dbraw/zinc/08/56/92/135085692.db2.gz MSWOSAQFGXSIOB-UHFFFAOYSA-N 0 0 219.200 2.195 20 5 BEBDRN O=[N+]([O-])c1ccccc1OCC1(O)CCCC1 ZINC000087464068 135141886 /nfs/dbraw/zinc/14/18/86/135141886.db2.gz QGTRQXDTJPGMID-UHFFFAOYSA-N 0 0 237.255 2.279 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCOC2)c1 ZINC000087787873 135171358 /nfs/dbraw/zinc/17/13/58/135171358.db2.gz WKLMBGGWLFJYHF-SECBINFHSA-N 0 0 222.244 2.104 20 5 BEBDRN O=[N+]([O-])c1cccc(OC[C@@H]2CCCO2)c1 ZINC000072557259 135389527 /nfs/dbraw/zinc/38/95/27/135389527.db2.gz MYEKKFVJDCALMS-NSHDSACASA-N 0 0 223.228 2.153 20 5 BEBDRN COC(C)(C)CNc1nccc(C)c1[N+](=O)[O-] ZINC000078471252 135394319 /nfs/dbraw/zinc/39/43/19/135394319.db2.gz UZTWLOPVESNRKD-UHFFFAOYSA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1cc(C(=O)N[C@@H]2CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000334457256 135415796 /nfs/dbraw/zinc/41/57/96/135415796.db2.gz OYYCEFQIQFTOKT-GZMMTYOYSA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1N1CC(CF)C1 ZINC000334581381 135756498 /nfs/dbraw/zinc/75/64/98/135756498.db2.gz QKFPAKGOHODSQA-UHFFFAOYSA-N 0 0 228.198 2.140 20 5 BEBDRN CC(C)[C@@H]1CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000335319717 136034085 /nfs/dbraw/zinc/03/40/85/136034085.db2.gz WOEZQIGAJRKECU-LBPRGKRZSA-N 0 0 248.282 2.465 20 5 BEBDRN Cc1nc(N2CCC23CCC3)ccc1[N+](=O)[O-] ZINC000348344589 136071529 /nfs/dbraw/zinc/07/15/29/136071529.db2.gz CBUCWXKIWNWAER-UHFFFAOYSA-N 0 0 233.271 2.431 20 5 BEBDRN Cc1cc(C(=O)N[C@@H]2CC23CC3)ccc1[N+](=O)[O-] ZINC000335366216 136081804 /nfs/dbraw/zinc/08/18/04/136081804.db2.gz WKPOHENYHKQBHH-LLVKDONJSA-N 0 0 246.266 2.186 20 5 BEBDRN O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)C1CCC1 ZINC000446066699 397837417 /nfs/dbraw/zinc/83/74/17/397837417.db2.gz CBZHQBOBGPIJQK-UHFFFAOYSA-N 0 0 249.270 2.038 20 5 BEBDRN CC(C)=CCCn1c(C)ncc1[N+](=O)[O-] ZINC000594887037 397977588 /nfs/dbraw/zinc/97/75/88/397977588.db2.gz DRFWTTPFLIAAFT-UHFFFAOYSA-N 0 0 209.249 2.456 20 5 BEBDRN CC[C@](C)(O)CNc1ccccc1[N+](=O)[O-] ZINC000060374246 398075932 /nfs/dbraw/zinc/07/59/32/398075932.db2.gz RTMJIYAVAVLDDB-NSHDSACASA-N 0 0 224.260 2.168 20 5 BEBDRN CCC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000291089197 398084401 /nfs/dbraw/zinc/08/44/01/398084401.db2.gz PSHYNULDBXRXHB-UHFFFAOYSA-N 0 0 248.282 2.467 20 5 BEBDRN C[C@@H]1C[C@H]1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000075527789 398101833 /nfs/dbraw/zinc/10/18/33/398101833.db2.gz INIMJRGIUNMACQ-XYXWOTOZSA-N 0 0 246.266 2.133 20 5 BEBDRN Cc1oncc1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195038866 398130480 /nfs/dbraw/zinc/13/04/80/398130480.db2.gz JSFMSPFDJYPXDM-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN Cc1ncc(COc2cccc([N+](=O)[O-])c2)o1 ZINC001651624145 1172964680 /nfs/dbraw/zinc/96/46/80/1172964680.db2.gz MKLFWKSQMHSMHS-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN C[C@H]1OCC[C@H]1COc1ccsc1[N+](=O)[O-] ZINC001651990876 1173021691 /nfs/dbraw/zinc/02/16/91/1173021691.db2.gz LXVOESRFRIDIHF-SFYZADRCSA-N 0 0 243.284 2.460 20 5 BEBDRN CCN(CC)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033285289 169744276 /nfs/dbraw/zinc/74/42/76/169744276.db2.gz XLQFDLSLWOWCAJ-HJWRWDBZSA-N 0 0 248.282 2.476 20 5 BEBDRN CC(=O)c1ccc(NCC(F)F)c([N+](=O)[O-])c1 ZINC000267669299 166466046 /nfs/dbraw/zinc/46/60/46/166466046.db2.gz NXIULHACKPBUNC-UHFFFAOYSA-N 0 0 244.197 2.474 20 5 BEBDRN CC(C)CN(C)c1ccc(N)cc1[N+](=O)[O-] ZINC000286321996 166943970 /nfs/dbraw/zinc/94/39/70/166943970.db2.gz QCGXFMHLYCGJFE-UHFFFAOYSA-N 0 0 223.276 2.269 20 5 BEBDRN CC(C)CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000033688475 166981405 /nfs/dbraw/zinc/98/14/05/166981405.db2.gz UQHQRRZAIMPLEH-FPLPWBNLSA-N 0 0 248.282 2.380 20 5 BEBDRN CC(C)CNc1ncc([N+](=O)[O-])s1 ZINC000083343629 167019272 /nfs/dbraw/zinc/01/92/72/167019272.db2.gz ONHBYNLGQWEZSB-UHFFFAOYSA-N 0 0 201.251 2.119 20 5 BEBDRN CC(C)OCCNc1ccc([N+](=O)[O-])cc1 ZINC000059539144 167245954 /nfs/dbraw/zinc/24/59/54/167245954.db2.gz GUXIMTSFDQCVDM-UHFFFAOYSA-N 0 0 224.260 2.432 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000054547777 411321888 /nfs/dbraw/zinc/32/18/88/411321888.db2.gz HZWATFUPMZWNSQ-KWQFWETISA-N 0 0 246.266 2.140 20 5 BEBDRN CC1(C)[C@@H](O)C[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000129272653 168001281 /nfs/dbraw/zinc/00/12/81/168001281.db2.gz QQRMVEGYAZCQNH-QWRGUYRKSA-N 0 0 236.271 2.166 20 5 BEBDRN CC1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCC1 ZINC000175098953 168037335 /nfs/dbraw/zinc/03/73/35/168037335.db2.gz XNFOXQKFIVKPHU-UHFFFAOYSA-N 0 0 238.243 2.108 20 5 BEBDRN CC1(COc2ccc(F)cc2[N+](=O)[O-])COC1 ZINC000358052581 168051723 /nfs/dbraw/zinc/05/17/23/168051723.db2.gz FWZHFFMPPSXPEJ-UHFFFAOYSA-N 0 0 241.218 2.149 20 5 BEBDRN CC1(NC(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000125841240 168060494 /nfs/dbraw/zinc/06/04/94/168060494.db2.gz RZODBIAYZYOMCX-UHFFFAOYSA-N 0 0 234.255 2.267 20 5 BEBDRN CC1=C[C@H](C)CN(c2ncc([N+](=O)[O-])s2)C1 ZINC000336929991 168128403 /nfs/dbraw/zinc/12/84/03/168128403.db2.gz OTZJLXBIJOHZLN-ZETCQYMHSA-N 0 0 239.300 2.454 20 5 BEBDRN CCC(=O)CSc1ncccc1[N+](=O)[O-] ZINC000171258487 168210533 /nfs/dbraw/zinc/21/05/33/168210533.db2.gz VEKGHVGXFUKZJD-UHFFFAOYSA-N 0 0 226.257 2.061 20 5 BEBDRN COc1cc(F)c([N+](=O)[O-])c(N2CCCC2)c1 ZINC000301335803 411437084 /nfs/dbraw/zinc/43/70/84/411437084.db2.gz GHRPVYLRIOAOLK-UHFFFAOYSA-N 0 0 240.234 2.343 20 5 BEBDRN CCN(c1cc(C)ccc1[N+](=O)[O-])[C@H](C)CO ZINC000291902929 169941655 /nfs/dbraw/zinc/94/16/55/169941655.db2.gz QCCRDUKVGZRHOY-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN CC(C)N(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255438381 322929108 /nfs/dbraw/zinc/92/91/08/322929108.db2.gz WWOSIEGMRNTJLA-TWGQIWQCSA-N 0 0 248.282 2.475 20 5 BEBDRN CCOCCN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000158136443 170391106 /nfs/dbraw/zinc/39/11/06/170391106.db2.gz ZDEOJGKRIZDSIY-UHFFFAOYSA-N 0 0 242.250 2.207 20 5 BEBDRN CCOCCN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000286466754 170391814 /nfs/dbraw/zinc/39/18/14/170391814.db2.gz KOYRCCNJKNMBJU-UHFFFAOYSA-N 0 0 242.250 2.207 20 5 BEBDRN CCOCCNc1cccc(OC)c1[N+](=O)[O-] ZINC000134905918 170416778 /nfs/dbraw/zinc/41/67/78/170416778.db2.gz MZAJRBDMDIIRFT-UHFFFAOYSA-N 0 0 240.259 2.052 20 5 BEBDRN CCOCCNc1ccccc1[N+](=O)[O-] ZINC000022007287 170416779 /nfs/dbraw/zinc/41/67/79/170416779.db2.gz GXVMJWFIOFNZLW-UHFFFAOYSA-N 0 0 210.233 2.043 20 5 BEBDRN CC[C@@H](C)CN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264700015 170696740 /nfs/dbraw/zinc/69/67/40/170696740.db2.gz JMHFLPAXJPZZLH-MRVPVSSYSA-N 0 0 239.275 2.041 20 5 BEBDRN CC[C@@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669425 170747634 /nfs/dbraw/zinc/74/76/34/170747634.db2.gz YWQRLMMFYWQEJM-SSDOTTSWSA-N 0 0 240.234 2.262 20 5 BEBDRN CC[C@@H](N)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000035697335 170870518 /nfs/dbraw/zinc/87/05/18/170870518.db2.gz DBTLODARFCZQEI-SECBINFHSA-N 0 0 248.242 2.055 20 5 BEBDRN CC[C@@H](O)COc1ccc([N+](=O)[O-])cc1C ZINC000120253682 170937109 /nfs/dbraw/zinc/93/71/09/170937109.db2.gz QKCUOXDZOJGNMG-SNVBAGLBSA-N 0 0 225.244 2.053 20 5 BEBDRN CC[C@@H]1CCC[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000268285427 171002716 /nfs/dbraw/zinc/00/27/16/171002716.db2.gz XHBHNEMSOHRBPO-RKDXNWHRSA-N 0 0 238.291 2.319 20 5 BEBDRN CC[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000152814621 171013353 /nfs/dbraw/zinc/01/33/53/171013353.db2.gz FGOQKLFFTOMSIK-SECBINFHSA-N 0 0 221.260 2.226 20 5 BEBDRN CC[C@@H]1CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000292267788 171027125 /nfs/dbraw/zinc/02/71/25/171027125.db2.gz LIEKADHAUALBJQ-SECBINFHSA-N 0 0 221.260 2.287 20 5 BEBDRN CC[C@@H]1CC[C@@H](C)N1c1ncc([N+](=O)[O-])cn1 ZINC000274007936 171039144 /nfs/dbraw/zinc/03/91/44/171039144.db2.gz UMEJIVHARQLPMF-RKDXNWHRSA-N 0 0 236.275 2.152 20 5 BEBDRN CC[C@@](C)(O)CNc1ccccc1[N+](=O)[O-] ZINC000060374247 171186239 /nfs/dbraw/zinc/18/62/39/171186239.db2.gz RTMJIYAVAVLDDB-LLVKDONJSA-N 0 0 224.260 2.168 20 5 BEBDRN CC[C@H](C)[C@@H](O)CNc1sccc1[N+](=O)[O-] ZINC000301980970 171378008 /nfs/dbraw/zinc/37/80/08/171378008.db2.gz AUXFOVVPNCDQTN-CBAPKCEASA-N 0 0 244.316 2.475 20 5 BEBDRN CC[C@H](O)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051608844 171578630 /nfs/dbraw/zinc/57/86/30/171578630.db2.gz TYNLXRJJMRPQOG-QMMMGPOBSA-N 0 0 245.662 2.398 20 5 BEBDRN CC[C@](C)(O)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000060374242 171705100 /nfs/dbraw/zinc/70/51/00/171705100.db2.gz PUDINXRFYSZHIX-NSHDSACASA-N 0 0 242.250 2.307 20 5 BEBDRN CCc1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000172159016 171815525 /nfs/dbraw/zinc/81/55/25/171815525.db2.gz FCJJLFVZWOOLQV-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN CCc1ccc(OC[C@@H](O)CC)c([N+](=O)[O-])c1 ZINC000070497651 171827340 /nfs/dbraw/zinc/82/73/40/171827340.db2.gz FYTUBJROZKLBMB-JTQLQIEISA-N 0 0 239.271 2.307 20 5 BEBDRN CCc1nn(C)c(NCC[C@@H](C)F)c1[N+](=O)[O-] ZINC000338756122 172039781 /nfs/dbraw/zinc/03/97/81/172039781.db2.gz RFBGJAJJJFLWOK-SSDOTTSWSA-N 0 0 244.270 2.051 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NC1CCC1 ZINC000288838344 172136819 /nfs/dbraw/zinc/13/68/19/172136819.db2.gz JMUFMCOPOUHDBA-UHFFFAOYSA-N 0 0 224.264 2.084 20 5 BEBDRN CCn1cc(Nc2cc(C)c([N+](=O)[O-])cn2)cn1 ZINC000073000268 172188518 /nfs/dbraw/zinc/18/85/18/172188518.db2.gz OVGMGMNFAQSRER-UHFFFAOYSA-N 0 0 247.258 2.258 20 5 BEBDRN CN(C(=O)C1CCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000281140203 172299548 /nfs/dbraw/zinc/29/95/48/172299548.db2.gz JWPFQIFGLHDGMI-UHFFFAOYSA-N 0 0 249.270 2.143 20 5 BEBDRN CN(C(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000172701802 172314835 /nfs/dbraw/zinc/31/48/35/172314835.db2.gz UQLOMZWTTPLBLA-UHFFFAOYSA-N 0 0 248.282 2.148 20 5 BEBDRN CN(C[C@H]1CCCO1)c1sccc1[N+](=O)[O-] ZINC000301986126 172830947 /nfs/dbraw/zinc/83/09/47/172830947.db2.gz KBIKJMAJHRCDQO-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN CN(C[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000263819657 172831154 /nfs/dbraw/zinc/83/11/54/172831154.db2.gz XFSMZMNFHWTMBE-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)OC ZINC000336772046 173471312 /nfs/dbraw/zinc/47/13/12/173471312.db2.gz VAYBJQVRTDXWNK-UHFFFAOYSA-N 0 0 244.634 2.077 20 5 BEBDRN COCCCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000133175332 174204636 /nfs/dbraw/zinc/20/46/36/174204636.db2.gz HGCHYOCBVXSKHS-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN COCCCCNc1nccc(C)c1[N+](=O)[O-] ZINC000070496198 174205118 /nfs/dbraw/zinc/20/51/18/174205118.db2.gz ZLGHCWMSBOPRQU-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN COCCCNc1cccc(C)c1[N+](=O)[O-] ZINC000218822778 174252420 /nfs/dbraw/zinc/25/24/20/174252420.db2.gz UDFURXKGAONSRR-UHFFFAOYSA-N 0 0 224.260 2.352 20 5 BEBDRN COCCCNc1sccc1[N+](=O)[O-] ZINC000301929258 174253503 /nfs/dbraw/zinc/25/35/03/174253503.db2.gz JLJDFEMEDXNSJS-UHFFFAOYSA-N 0 0 216.262 2.105 20 5 BEBDRN COCCCOc1ccc([N+](=O)[O-])c(OC)c1 ZINC000355945796 174257277 /nfs/dbraw/zinc/25/72/77/174257277.db2.gz HZDFNTJSGHBMBC-UHFFFAOYSA-N 0 0 241.243 2.019 20 5 BEBDRN COCCCOc1ccc([N+](=O)[O-])cc1C ZINC000183283667 174257280 /nfs/dbraw/zinc/25/72/80/174257280.db2.gz BJFGECIFMKJSCN-UHFFFAOYSA-N 0 0 225.244 2.319 20 5 BEBDRN COCCCOc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000354535481 174257581 /nfs/dbraw/zinc/25/75/81/174257581.db2.gz JKPOXDDKUOCPOD-UHFFFAOYSA-N 0 0 240.259 2.022 20 5 BEBDRN COCCN(C)c1c(Cl)cccc1[N+](=O)[O-] ZINC000292408561 174283510 /nfs/dbraw/zinc/28/35/10/174283510.db2.gz DIMUCCRGQRTTOC-UHFFFAOYSA-N 0 0 244.678 2.331 20 5 BEBDRN COCC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000045022817 174386141 /nfs/dbraw/zinc/38/61/41/174386141.db2.gz XFVQPYHQQUBYAS-SECBINFHSA-N 0 0 224.260 2.432 20 5 BEBDRN COC[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000037420573 174553783 /nfs/dbraw/zinc/55/37/83/174553783.db2.gz DKEAWAUBZABHKN-ZETCQYMHSA-N 0 0 228.223 2.181 20 5 BEBDRN COCc1noc(-c2cccc([N+](=O)[O-])c2C)n1 ZINC000109597905 174648823 /nfs/dbraw/zinc/64/88/23/174648823.db2.gz HLDKXEHQCYJJAY-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN CO[C@H](C)CN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000286651045 174825642 /nfs/dbraw/zinc/82/56/42/174825642.db2.gz WKBMRQLTYPLBFT-MRVPVSSYSA-N 0 0 242.250 2.205 20 5 BEBDRN COc1ccc([N+](=O)[O-])c2ncccc12 ZINC000022147918 175201204 /nfs/dbraw/zinc/20/12/04/175201204.db2.gz RWFYICPQQAJGAK-UHFFFAOYSA-N 0 0 204.185 2.152 20 5 BEBDRN CS[C@H](C)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000159241917 175564075 /nfs/dbraw/zinc/56/40/75/175564075.db2.gz RIHYLXLLZJIZTJ-MRVPVSSYSA-N 0 0 241.316 2.462 20 5 BEBDRN C[C@@H](CCO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000133373568 175683185 /nfs/dbraw/zinc/68/31/85/175683185.db2.gz AOVVKKDRQQCJKQ-ZETCQYMHSA-N 0 0 244.678 2.431 20 5 BEBDRN C[C@@H](O)CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000082997858 175960841 /nfs/dbraw/zinc/96/08/41/175960841.db2.gz RZRFRELRLLVVHY-SSDOTTSWSA-N 0 0 244.678 2.431 20 5 BEBDRN C[C@@H](O)CN(C)c1c(Cl)cccc1[N+](=O)[O-] ZINC000235252385 175968600 /nfs/dbraw/zinc/96/86/00/175968600.db2.gz CUDYFYAXHQIIPW-SSDOTTSWSA-N 0 0 244.678 2.065 20 5 BEBDRN C[C@@H](c1noc(-c2cc([N+](=O)[O-])c[nH]2)n1)C1CC1 ZINC000357592732 176041244 /nfs/dbraw/zinc/04/12/44/176041244.db2.gz HFEVZJAPPNTDOP-ZCFIWIBFSA-N 0 0 248.242 2.486 20 5 BEBDRN C[C@@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000173115649 176105697 /nfs/dbraw/zinc/10/56/97/176105697.db2.gz XHGVFSJDVRIELU-SNVBAGLBSA-N 0 0 248.282 2.148 20 5 BEBDRN C[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000173138256 176107011 /nfs/dbraw/zinc/10/70/11/176107011.db2.gz KYQJMYDFVWURDJ-SECBINFHSA-N 0 0 234.255 2.219 20 5 BEBDRN C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000267712360 176111943 /nfs/dbraw/zinc/11/19/43/176111943.db2.gz TXFUICRAZZZAJF-SSDOTTSWSA-N 0 0 248.242 2.120 20 5 BEBDRN C[C@@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000040454538 176124993 /nfs/dbraw/zinc/12/49/93/176124993.db2.gz OVNSCTAFUVSWJY-RKDXNWHRSA-N 0 0 236.275 2.375 20 5 BEBDRN C[C@@H]1CC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000336700440 176237556 /nfs/dbraw/zinc/23/75/56/176237556.db2.gz PIJOJDMUTUWXDF-VXNVDRBHSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000267574589 176321424 /nfs/dbraw/zinc/32/14/24/176321424.db2.gz ASZATMKQZGYSRZ-RKDXNWHRSA-N 0 0 221.260 2.082 20 5 BEBDRN C[C@H](CO)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000083387232 176695378 /nfs/dbraw/zinc/69/53/78/176695378.db2.gz SOULMYBCDIWWDF-ZETCQYMHSA-N 0 0 244.678 2.289 20 5 BEBDRN C[C@H](CO)SCc1cccc([N+](=O)[O-])c1 ZINC000079089615 176708539 /nfs/dbraw/zinc/70/85/39/176708539.db2.gz IWMIQBVUSGHNSN-MRVPVSSYSA-N 0 0 227.285 2.209 20 5 BEBDRN C[C@H](NCc1cc[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000041014923 176874077 /nfs/dbraw/zinc/87/40/77/176874077.db2.gz UYNPISSFCKNDJM-VIFPVBQESA-N 0 0 246.270 2.169 20 5 BEBDRN C[C@H](O)C[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000125517210 177001184 /nfs/dbraw/zinc/00/11/84/177001184.db2.gz SQHKKXBLIJKCSW-IUCAKERBSA-N 0 0 224.260 2.166 20 5 BEBDRN C[C@H]1CCCC[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000035121777 177083268 /nfs/dbraw/zinc/08/32/68/177083268.db2.gz AZRICYPGGSGXOC-IUCAKERBSA-N 0 0 238.291 2.319 20 5 BEBDRN C[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000104609293 177142417 /nfs/dbraw/zinc/14/24/17/177142417.db2.gz KAVXEQLWDBADOE-JGVFFNPUSA-N 0 0 238.243 2.106 20 5 BEBDRN C[C@H]1CC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000336686864 177195659 /nfs/dbraw/zinc/19/56/59/177195659.db2.gz LCLWCMLHVOQMGD-YUMQZZPRSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@H]1CC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000306745411 177195689 /nfs/dbraw/zinc/19/56/89/177195689.db2.gz CXAZSOPUNKEDCC-WDSKDSINSA-N 0 0 213.262 2.262 20 5 BEBDRN C[C@H]1CC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000336705129 177207144 /nfs/dbraw/zinc/20/71/44/177207144.db2.gz RAOQMUKKVHHAGC-IONNQARKSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@H]1CC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000306745402 177207280 /nfs/dbraw/zinc/20/72/80/177207280.db2.gz CXAZSOPUNKEDCC-NTSWFWBYSA-N 0 0 213.262 2.262 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000294052449 177228366 /nfs/dbraw/zinc/22/83/66/177228366.db2.gz KOVRZDVHLOCOOC-DTWKUNHWSA-N 0 0 234.255 2.075 20 5 BEBDRN C[C@H]1CN(c2sccc2[N+](=O)[O-])CCC1=O ZINC000302907258 177279093 /nfs/dbraw/zinc/27/90/93/177279093.db2.gz XPPFZIWGKZQCMZ-ZETCQYMHSA-N 0 0 240.284 2.072 20 5 BEBDRN C[C@H]1COCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000277822173 177297489 /nfs/dbraw/zinc/29/74/89/177297489.db2.gz YVIHFFZMRJECRS-VHSXEESVSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000136089038 177345882 /nfs/dbraw/zinc/34/58/82/177345882.db2.gz ZGCGDTIRLKAZGR-JGVFFNPUSA-N 0 0 207.233 2.058 20 5 BEBDRN C[C@H]1C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000336462107 177360643 /nfs/dbraw/zinc/36/06/43/177360643.db2.gz GADBDTVPFVEPDN-BQBZGAKWSA-N 0 0 240.284 2.279 20 5 BEBDRN Cc1c(C(=O)N[C@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000025770845 177568548 /nfs/dbraw/zinc/56/85/48/177568548.db2.gz JNZGJYDMYVOPCC-SECBINFHSA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CC23CC3)c(F)c1 ZINC000425270377 224824960 /nfs/dbraw/zinc/82/49/60/224824960.db2.gz FZAAKCMUCDYTQR-QMMMGPOBSA-N 0 0 223.207 2.093 20 5 BEBDRN Cc1cc(COc2ccccc2[N+](=O)[O-])ncn1 ZINC000488262208 225358898 /nfs/dbraw/zinc/35/88/98/225358898.db2.gz YWGUWTFNBGYEKP-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN C[C@@H](F)CCOc1cccnc1[N+](=O)[O-] ZINC000505448768 226355434 /nfs/dbraw/zinc/35/54/34/226355434.db2.gz FKJIPRXMRCLSOS-SSDOTTSWSA-N 0 0 214.196 2.117 20 5 BEBDRN C[C@H](F)CCOc1cccnc1[N+](=O)[O-] ZINC000505448769 226355480 /nfs/dbraw/zinc/35/54/80/226355480.db2.gz FKJIPRXMRCLSOS-ZETCQYMHSA-N 0 0 214.196 2.117 20 5 BEBDRN Cc1ccc(OC[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000421831451 229154222 /nfs/dbraw/zinc/15/42/22/229154222.db2.gz LJCGICOEROAZBH-AOOOYVTPSA-N 0 0 237.255 2.053 20 5 BEBDRN CC(C)[C@]1(C)C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000397201530 262837439 /nfs/dbraw/zinc/83/74/39/262837439.db2.gz WGUPLLKVGZWWSQ-KOLCDFICSA-N 0 0 236.275 2.231 20 5 BEBDRN CC(C)[C@]1(C)C[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000397289480 262920899 /nfs/dbraw/zinc/92/08/99/262920899.db2.gz KSWJFZLHYPSWNK-NEPJUHHUSA-N 0 0 235.287 2.258 20 5 BEBDRN O=[N+]([O-])c1cnc(N2C3CCC2CC3)c(F)c1 ZINC000566607467 323006691 /nfs/dbraw/zinc/00/66/91/323006691.db2.gz ANYVTKWGVKQFQJ-UHFFFAOYSA-N 0 0 237.234 2.260 20 5 BEBDRN O=C(NC1(C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000531606088 323110875 /nfs/dbraw/zinc/11/08/75/323110875.db2.gz RFWXLGWBWPBFEK-UHFFFAOYSA-N 0 0 246.266 2.267 20 5 BEBDRN CCN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CCC1 ZINC000531882170 323142320 /nfs/dbraw/zinc/14/23/20/323142320.db2.gz GBGXIPDIZDASAI-UHFFFAOYSA-N 0 0 249.270 2.004 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@H]2CCCOC2)cc1 ZINC000532132558 323207283 /nfs/dbraw/zinc/20/72/83/323207283.db2.gz NDQAFBROWNWRQT-JTQLQIEISA-N 0 0 237.255 2.400 20 5 BEBDRN CCC1(NC(=O)c2ccc([N+](=O)[O-])cn2)CCC1 ZINC000532396046 323260259 /nfs/dbraw/zinc/26/02/59/323260259.db2.gz OQTHCISXFYXHBV-UHFFFAOYSA-N 0 0 249.270 2.052 20 5 BEBDRN Cc1cc(N2[C@H](C)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000530429725 324595654 /nfs/dbraw/zinc/59/56/54/324595654.db2.gz MBLFEFGLRLBBOR-RKDXNWHRSA-N 0 0 221.260 2.285 20 5 BEBDRN C[C@@H]1C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000547183155 325330401 /nfs/dbraw/zinc/33/04/01/325330401.db2.gz RTXPUPAQQBZWSW-SVRRBLITSA-N 0 0 246.226 2.163 20 5 BEBDRN C[C@@H]1C[C@H]1c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000547183153 325330582 /nfs/dbraw/zinc/33/05/82/325330582.db2.gz RTXPUPAQQBZWSW-HTRCEHHLSA-N 0 0 246.226 2.163 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(OC[C@@H](C)OC)c1 ZINC000566216055 326015566 /nfs/dbraw/zinc/01/55/66/326015566.db2.gz JYUIMKKNFBOEIU-MRVPVSSYSA-N 0 0 241.243 2.017 20 5 BEBDRN CCO[C@@H]1C[C@@H]1Nc1ccc(C)cc1[N+](=O)[O-] ZINC000566600078 326066955 /nfs/dbraw/zinc/06/69/55/326066955.db2.gz HGXQWKWDDXEMFA-CMPLNLGQSA-N 0 0 236.271 2.493 20 5 BEBDRN O=C(N[C@H]1C=CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000157895046 326299304 /nfs/dbraw/zinc/29/93/04/326299304.db2.gz VJDHEFWVXSWDSA-QMMMGPOBSA-N 0 0 236.227 2.026 20 5 BEBDRN CC1(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000159238233 326392321 /nfs/dbraw/zinc/39/23/21/326392321.db2.gz RSVQQEYLRGYBCR-UHFFFAOYSA-N 0 0 220.228 2.333 20 5 BEBDRN CC[C@@H](C)N(C)c1ncccc1[N+](=O)[O-] ZINC000301625119 488050890 /nfs/dbraw/zinc/05/08/90/488050890.db2.gz POIRIWOPIXTJBW-MRVPVSSYSA-N 0 0 209.249 2.225 20 5 BEBDRN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)CCO1 ZINC000235420172 488059356 /nfs/dbraw/zinc/05/93/56/488059356.db2.gz PWLDGVFSCGVCPJ-RNFRBKRXSA-N 0 0 243.288 2.031 20 5 BEBDRN CC(=O)CCCCCn1c(C)ncc1[N+](=O)[O-] ZINC000450816025 490396615 /nfs/dbraw/zinc/39/66/15/490396615.db2.gz AFSXOCCTOJEAIT-UHFFFAOYSA-N 0 0 239.275 2.249 20 5 BEBDRN C[C@H](COC(=O)/C=C/C1CCCCC1)[N+](=O)[O-] ZINC000813107914 582585156 /nfs/dbraw/zinc/58/51/56/582585156.db2.gz YVBFYXMJMHSOCH-QROSGCPLSA-N 0 0 241.287 2.331 20 5 BEBDRN Cc1ccc(CN2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000336222781 518188782 /nfs/dbraw/zinc/18/87/82/518188782.db2.gz JLSDZGYOTWGOGU-NSHDSACASA-N 0 0 238.262 2.447 20 5 BEBDRN C=C=CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000492946289 526914053 /nfs/dbraw/zinc/91/40/53/526914053.db2.gz GGRIUBAXBZLOIW-CMDGGOBGSA-N 0 0 244.250 2.065 20 5 BEBDRN CC1(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000224430540 535158785 /nfs/dbraw/zinc/15/87/85/535158785.db2.gz LMESLAAWTJYFEE-UHFFFAOYSA-N 0 0 207.233 2.202 20 5 BEBDRN CCCn1c(=O)c([N+](=O)[O-])cc2c1CCCC2 ZINC000335346094 535578946 /nfs/dbraw/zinc/57/89/46/535578946.db2.gz NHRUDXBDLRFQNK-UHFFFAOYSA-N 0 0 236.271 2.045 20 5 BEBDRN CCCn1ccc2ccc([N+](=O)[O-])cc2c1=O ZINC000335360507 535618980 /nfs/dbraw/zinc/61/89/80/535618980.db2.gz KAIUOWLYWFSSPQ-UHFFFAOYSA-N 0 0 232.239 2.320 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NCCCCF ZINC000893927172 583248961 /nfs/dbraw/zinc/24/89/61/583248961.db2.gz YYEZPYFYYJGVLB-UHFFFAOYSA-N 0 0 243.238 2.160 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@@H]2C)n1 ZINC000853650367 588752295 /nfs/dbraw/zinc/75/22/95/588752295.db2.gz PHEKNBIRQPOBCB-APPZFPTMSA-N 0 0 221.260 2.143 20 5 BEBDRN C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])[C@H]1C ZINC000853649756 588752376 /nfs/dbraw/zinc/75/23/76/588752376.db2.gz CMEAEAYOFLCWHS-BDAKNGLRSA-N 0 0 246.270 2.087 20 5 BEBDRN CC1=NO[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000853660470 588753253 /nfs/dbraw/zinc/75/32/53/588753253.db2.gz GNUCNOOVUQVCGX-NSHDSACASA-N 0 0 235.243 2.172 20 5 BEBDRN Cc1cc(N2C[C@@H](F)[C@@H](F)C2)c([N+](=O)[O-])s1 ZINC000853659625 588753394 /nfs/dbraw/zinc/75/33/94/588753394.db2.gz VDHGACGAUYVSQH-KNVOCYPGSA-N 0 0 248.254 2.461 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1C=CCC1 ZINC000853825461 588764952 /nfs/dbraw/zinc/76/49/52/588764952.db2.gz BVMIEANKDMYPHY-SECBINFHSA-N 0 0 247.254 2.435 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000853900759 588767764 /nfs/dbraw/zinc/76/77/64/588767764.db2.gz GNYZLTKLDGBMOU-NXEZZACHSA-N 0 0 218.256 2.441 20 5 BEBDRN CC(C)=C(C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854496490 588789514 /nfs/dbraw/zinc/78/95/14/588789514.db2.gz HCUQCXYKJNDTQZ-UHFFFAOYSA-N 0 0 249.270 2.472 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1N1CC[C@H]2C[C@H]21 ZINC000804689165 582527010 /nfs/dbraw/zinc/52/70/10/582527010.db2.gz YHAFEZYGWVQSAG-OIBJUYFYSA-N 0 0 222.219 2.333 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C=CCC1 ZINC000855425300 588833560 /nfs/dbraw/zinc/83/35/60/588833560.db2.gz JJDKNAUUOUCKEI-JTQLQIEISA-N 0 0 246.266 2.352 20 5 BEBDRN CC[C@H]1CC[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])CC1 ZINC000813111892 582588957 /nfs/dbraw/zinc/58/89/57/582588957.db2.gz XQVXNVSVCZHKTD-DCAQKATOSA-N 0 0 243.303 2.411 20 5 BEBDRN CCCC[C@@H](C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813111748 582588962 /nfs/dbraw/zinc/58/89/62/582588962.db2.gz WOPNYHWJSUCCQO-BDAKNGLRSA-N 0 0 217.265 2.021 20 5 BEBDRN CC(C)CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000137630856 582744335 /nfs/dbraw/zinc/74/43/35/582744335.db2.gz DOMGWXQMCSULHT-UHFFFAOYSA-N 0 0 234.259 2.310 20 5 BEBDRN C[C@H]1CCCN1c1ccc2nonc2c1[N+](=O)[O-] ZINC000892737317 582972627 /nfs/dbraw/zinc/97/26/27/582972627.db2.gz AYRYNAAJEBHXND-ZETCQYMHSA-N 0 0 248.242 2.120 20 5 BEBDRN C[C@@H](CNc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000114312511 588873248 /nfs/dbraw/zinc/87/32/48/588873248.db2.gz IEACBLKYASVNEJ-QMMMGPOBSA-N 0 0 240.307 2.422 20 5 BEBDRN CC[C@@H]1CCC[C@]1(C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000893077785 583043112 /nfs/dbraw/zinc/04/31/12/583043112.db2.gz VCLGXZVSSOEHNV-UMNHJUIQSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)=CCCNc1c([N+](=O)[O-])cnn1C ZINC000893454952 583145986 /nfs/dbraw/zinc/14/59/86/583145986.db2.gz STLUJSZNEGXGQV-UHFFFAOYSA-N 0 0 224.264 2.097 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1cccc(Cl)c1 ZINC000814037791 583335288 /nfs/dbraw/zinc/33/52/88/583335288.db2.gz GPXSCRUEVHARSK-SSDOTTSWSA-N 0 0 243.646 2.162 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCCC[C@H]1F ZINC000894200743 583337948 /nfs/dbraw/zinc/33/79/48/583337948.db2.gz DPPACBDMOYOXCW-HTQZYQBOSA-N 0 0 242.254 2.021 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CC1(C)CCCC1 ZINC000814044513 583339904 /nfs/dbraw/zinc/33/99/04/583339904.db2.gz GQASLVRTDWRJQB-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN Cc1cccc([C@@H](C)OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000840673308 583422787 /nfs/dbraw/zinc/42/27/87/583422787.db2.gz JQKOIEZBJSLYLN-YUSALJHKSA-N 0 0 249.266 2.264 20 5 BEBDRN Cc1cnc(N2CC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000882841349 583643584 /nfs/dbraw/zinc/64/35/84/583643584.db2.gz SWDFNHSYPSXSKU-SECBINFHSA-N 0 0 239.250 2.094 20 5 BEBDRN C[C@H]1CCN(c2ccccc2[N+](=O)[O-])CCO1 ZINC000895754972 583721020 /nfs/dbraw/zinc/72/10/20/583721020.db2.gz RLYIBZDJDZEAAA-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN C[C@H]1CCN(c2ccsc2[N+](=O)[O-])CCO1 ZINC000895758976 583721070 /nfs/dbraw/zinc/72/10/70/583721070.db2.gz RGPFPNSFXUDFGW-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN C[C@H]1COC[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000895905955 583744465 /nfs/dbraw/zinc/74/44/65/583744465.db2.gz URVDDFLPLIXSLE-BQBZGAKWSA-N 0 0 228.273 2.103 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NC(C)(C)/C=C\Cl ZINC000895915939 583746090 /nfs/dbraw/zinc/74/60/90/583746090.db2.gz PUKSGLYBFZUXSD-PLNGDYQASA-N 0 0 244.682 2.271 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NCCC1CC=CC1 ZINC000896096213 583771564 /nfs/dbraw/zinc/77/15/64/583771564.db2.gz XMEAJGKLQXRUDU-UHFFFAOYSA-N 0 0 236.275 2.097 20 5 BEBDRN Cc1cc(N2CC(=O)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000896338643 583792945 /nfs/dbraw/zinc/79/29/45/583792945.db2.gz GQLJLWVVEDAWPT-SNVBAGLBSA-N 0 0 248.282 2.461 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](CO)C1 ZINC000896691492 583823726 /nfs/dbraw/zinc/82/37/26/583823726.db2.gz XSEJQBIPIXXRAO-MGCOHNPYSA-N 0 0 236.271 2.086 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1SC1COC1 ZINC000896959399 583863335 /nfs/dbraw/zinc/86/33/35/583863335.db2.gz WYVZILNMFHJDDO-UHFFFAOYSA-N 0 0 229.232 2.225 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1SC1COC1 ZINC000896959562 583863729 /nfs/dbraw/zinc/86/37/29/583863729.db2.gz BQJPLGOGSGWXKH-UHFFFAOYSA-N 0 0 229.232 2.225 20 5 BEBDRN CO[C@H]1CC[C@H]1N(C)c1sccc1[N+](=O)[O-] ZINC000897147746 583886141 /nfs/dbraw/zinc/88/61/41/583886141.db2.gz QJGURFURFYUYSO-APPZFPTMSA-N 0 0 242.300 2.270 20 5 BEBDRN Nc1ccc(N[C@@H]2C[C@H]3CCC[C@H]32)nc1[N+](=O)[O-] ZINC000897177071 583889884 /nfs/dbraw/zinc/88/98/84/583889884.db2.gz JFHBMTPHQQVLCC-NQMVMOMDSA-N 0 0 248.286 2.173 20 5 BEBDRN COCCOc1cc(Cl)c([N+](=O)[O-])cc1F ZINC000871694268 583941330 /nfs/dbraw/zinc/94/13/30/583941330.db2.gz JHTPAPGGMOIIOU-UHFFFAOYSA-N 0 0 249.625 2.413 20 5 BEBDRN C[C@H]1C[C@H]1COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000729091192 583955549 /nfs/dbraw/zinc/95/55/49/583955549.db2.gz RQOXJSZGQVBCSF-ONGXEEELSA-N 0 0 249.266 2.337 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@@H]1COC[C@@H]1C1CC1 ZINC000897442039 583984574 /nfs/dbraw/zinc/98/45/74/583984574.db2.gz OXEVUEDVBSWDNE-ZYHUDNBSSA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])CCOc1cccc(Cl)c1F ZINC000899231419 584182961 /nfs/dbraw/zinc/18/29/61/584182961.db2.gz CPNDTISLQRZRSR-UHFFFAOYSA-N 0 0 219.599 2.135 20 5 BEBDRN O=[N+]([O-])CCOc1cc(Cl)ccc1F ZINC000899230080 584183071 /nfs/dbraw/zinc/18/30/71/584183071.db2.gz CHMKIIKBJDLEQS-UHFFFAOYSA-N 0 0 219.599 2.135 20 5 BEBDRN CC(C)COc1ccc(OCC[N+](=O)[O-])cc1 ZINC000899232263 584183387 /nfs/dbraw/zinc/18/33/87/584183387.db2.gz MMMITSITINIAKS-UHFFFAOYSA-N 0 0 239.271 2.377 20 5 BEBDRN O=[N+]([O-])CCOc1ccc(Cl)c(F)c1F ZINC000899232189 584183549 /nfs/dbraw/zinc/18/35/49/584183549.db2.gz KQDZMLFBTAPSNN-UHFFFAOYSA-N 0 0 237.589 2.274 20 5 BEBDRN CC(=O)c1ccc(Cl)cc1OCC[N+](=O)[O-] ZINC000899232383 584183559 /nfs/dbraw/zinc/18/35/59/584183559.db2.gz MWZKOIOCEFTEJI-UHFFFAOYSA-N 0 0 243.646 2.198 20 5 BEBDRN O=[N+]([O-])CCSc1ncnc2sccc21 ZINC000899861453 584242530 /nfs/dbraw/zinc/24/25/30/584242530.db2.gz GSMKZDANKPUZPF-UHFFFAOYSA-N 0 0 241.297 2.060 20 5 BEBDRN O=[N+]([O-])CCSc1cc(F)ccc1F ZINC000899865568 584245144 /nfs/dbraw/zinc/24/51/44/584245144.db2.gz IJZICDMYFDVNEC-UHFFFAOYSA-N 0 0 219.212 2.334 20 5 BEBDRN Cc1ccc(NC(=O)CCF)cc1[N+](=O)[O-] ZINC000899910564 584252986 /nfs/dbraw/zinc/25/29/86/584252986.db2.gz HTXFWIMLHGETDQ-UHFFFAOYSA-N 0 0 226.207 2.201 20 5 BEBDRN CC(C)(O)c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901395348 584438331 /nfs/dbraw/zinc/43/83/31/584438331.db2.gz MUJRECIPZHSWCC-UHFFFAOYSA-N 0 0 248.238 2.477 20 5 BEBDRN Cc1nc2ccccc2nc1SCC[N+](=O)[O-] ZINC000901456568 584450163 /nfs/dbraw/zinc/45/01/63/584450163.db2.gz OLSIXCYDNDSQDX-UHFFFAOYSA-N 0 0 249.295 2.307 20 5 BEBDRN O=[N+]([O-])c1cccc(NC[C@@H]2C[C@@]23CCOC3)c1 ZINC000901921381 584504618 /nfs/dbraw/zinc/50/46/18/584504618.db2.gz IIJAPFMTYBYCSQ-GXFFZTMASA-N 0 0 248.282 2.433 20 5 BEBDRN O=[N+]([O-])c1cnn(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1 ZINC000902325695 584560430 /nfs/dbraw/zinc/56/04/30/584560430.db2.gz UHPFJOLHVULSIB-ZFRGLUTLSA-N 0 0 243.213 2.083 20 5 BEBDRN COC[C@H](C)SCc1cccnc1[N+](=O)[O-] ZINC000902335979 584564257 /nfs/dbraw/zinc/56/42/57/584564257.db2.gz FNXRJGNNVKCGCB-QMMMGPOBSA-N 0 0 242.300 2.258 20 5 BEBDRN C[C@@H](O)CCOc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000902697001 584654922 /nfs/dbraw/zinc/65/49/22/584654922.db2.gz OWJNOIUUAJBRNV-ZCFIWIBFSA-N 0 0 247.197 2.023 20 5 BEBDRN C[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CCCCC1 ZINC000842327231 584892286 /nfs/dbraw/zinc/89/22/86/584892286.db2.gz ICCKWJRRIJRZOV-FBIMIBRVSA-N 0 0 241.287 2.164 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)OCCCF ZINC000741443302 584924079 /nfs/dbraw/zinc/92/40/79/584924079.db2.gz ADPHBPAOOIERMY-UHFFFAOYSA-N 0 0 241.218 2.420 20 5 BEBDRN C[C@@H](COC(=O)C1=CCC(C)(C)CC1)[N+](=O)[O-] ZINC000835456167 584926191 /nfs/dbraw/zinc/92/61/91/584926191.db2.gz SCCWGZDDYLXLDF-VIFPVBQESA-N 0 0 241.287 2.331 20 5 BEBDRN CC(C)(CCC(=O)OC1CC2(CC2)C1)[N+](=O)[O-] ZINC000835725544 584931078 /nfs/dbraw/zinc/93/10/78/584931078.db2.gz WIGAMAXHJAVEQA-UHFFFAOYSA-N 0 0 241.287 2.308 20 5 BEBDRN O=C(OCC(F)F)c1cc([N+](=O)[O-])ccc1F ZINC000733450514 584949303 /nfs/dbraw/zinc/94/93/03/584949303.db2.gz VSFFLHGWEHEWEM-UHFFFAOYSA-N 0 0 249.144 2.156 20 5 BEBDRN O=C(Oc1cccc([N+](=O)[O-])c1)[C@H]1CC12CC2 ZINC000817421521 584986115 /nfs/dbraw/zinc/98/61/15/584986115.db2.gz DXFQBOAIQRAJFY-SNVBAGLBSA-N 0 0 233.223 2.300 20 5 BEBDRN CCCC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000050185539 585073756 /nfs/dbraw/zinc/07/37/56/585073756.db2.gz ZLLOIEGSVYAHKS-UHFFFAOYSA-N 0 0 241.218 2.482 20 5 BEBDRN C[C@@H](COC(=O)C1CC(C(C)(C)C)C1)[N+](=O)[O-] ZINC000838964326 585082661 /nfs/dbraw/zinc/08/26/61/585082661.db2.gz HQCLMBVIQNMONW-IDKOKCKLSA-N 0 0 243.303 2.267 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)C1=COCC1 ZINC000744036489 585142312 /nfs/dbraw/zinc/14/23/12/585142312.db2.gz ZSIQXCGVOGEDJO-UHFFFAOYSA-N 0 0 249.222 2.113 20 5 BEBDRN O=C(OCCF)c1c(Cl)cccc1[N+](=O)[O-] ZINC000744984169 585154871 /nfs/dbraw/zinc/15/48/71/585154871.db2.gz PQRZFXLHDBUDBH-UHFFFAOYSA-N 0 0 247.609 2.375 20 5 BEBDRN CCC[C@H](C)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000748110165 585187313 /nfs/dbraw/zinc/18/73/13/585187313.db2.gz XAFBLNUABDWBSP-QMMMGPOBSA-N 0 0 240.259 2.279 20 5 BEBDRN C[C@H]1CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000749317052 585201315 /nfs/dbraw/zinc/20/13/15/585201315.db2.gz RYHDTWXWWRMDPD-LURJTMIESA-N 0 0 228.198 2.472 20 5 BEBDRN O=C(OCc1ccccc1[N+](=O)[O-])c1cc[nH]c1 ZINC000750497391 585216182 /nfs/dbraw/zinc/21/61/82/585216182.db2.gz YOCWOEIWLGOQNK-UHFFFAOYSA-N 0 0 246.222 2.280 20 5 BEBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)OC1CCC1 ZINC000750738865 585219146 /nfs/dbraw/zinc/21/91/46/585219146.db2.gz BGQZNZLRDITCAA-UHFFFAOYSA-N 0 0 235.239 2.233 20 5 BEBDRN CS/C=C/C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000751570873 585233006 /nfs/dbraw/zinc/23/30/06/585233006.db2.gz RCRSTMZHLKMFBC-AATRIKPKSA-N 0 0 239.252 2.377 20 5 BEBDRN CS/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000751894642 585238600 /nfs/dbraw/zinc/23/86/00/585238600.db2.gz UPUCPAZFMGTEDC-VOTSOKGWSA-N 0 0 238.268 2.410 20 5 BEBDRN COC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000752745236 585249550 /nfs/dbraw/zinc/24/95/50/585249550.db2.gz MEMPLWOQUKIVDE-MRVPVSSYSA-N 0 0 238.243 2.320 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)c(CN2CC(F)C2)c1 ZINC000753575987 585262272 /nfs/dbraw/zinc/26/22/72/585262272.db2.gz KTRZSMGGMWDKPJ-UHFFFAOYSA-N 0 0 244.653 2.402 20 5 BEBDRN O=[N+]([O-])c1ncccc1Oc1cccnc1F ZINC000754018460 585275326 /nfs/dbraw/zinc/27/53/26/585275326.db2.gz MVFXJJFSEKLCKF-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN Cc1nonc1CNc1cc(C)ccc1[N+](=O)[O-] ZINC000756117226 585314623 /nfs/dbraw/zinc/31/46/23/585314623.db2.gz HREDCVSLFKHRKP-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CCc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1C ZINC000839722582 585338586 /nfs/dbraw/zinc/33/85/86/585338586.db2.gz AZJUOYGCYNPBCK-VXGBXAGGSA-N 0 0 248.282 2.161 20 5 BEBDRN C[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc[nH]1 ZINC000760272636 585388437 /nfs/dbraw/zinc/38/84/37/585388437.db2.gz MMRPEVZZONUUTL-QMMMGPOBSA-N 0 0 232.243 2.491 20 5 BEBDRN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc[nH]1 ZINC000760274136 585388618 /nfs/dbraw/zinc/38/86/18/585388618.db2.gz SEXUAMJBFTYSEQ-QMMMGPOBSA-N 0 0 232.243 2.491 20 5 BEBDRN O=C(Cc1cccc([N+](=O)[O-])c1)OCCCF ZINC000767358952 585517718 /nfs/dbraw/zinc/51/77/18/585517718.db2.gz RAVGFVDWLMLFIF-UHFFFAOYSA-N 0 0 241.218 2.040 20 5 BEBDRN CC(C)(F)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000768642948 585541360 /nfs/dbraw/zinc/54/13/60/585541360.db2.gz RXYJKSMFSAXPOY-UHFFFAOYSA-N 0 0 241.218 2.386 20 5 BEBDRN CON(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000768694736 585541868 /nfs/dbraw/zinc/54/18/68/585541868.db2.gz CNKCBYSNZCOJRH-UHFFFAOYSA-N 0 0 230.651 2.241 20 5 BEBDRN CON(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768708371 585542065 /nfs/dbraw/zinc/54/20/65/585542065.db2.gz PTDKOJDKCICIOU-UHFFFAOYSA-N 0 0 230.651 2.241 20 5 BEBDRN Cc1cc(N[C@H](CO)C2CC2)ccc1[N+](=O)[O-] ZINC000771213286 585591530 /nfs/dbraw/zinc/59/15/30/585591530.db2.gz KZOBURJRVYFEPK-LLVKDONJSA-N 0 0 236.271 2.086 20 5 BEBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C(C)C)CC2 ZINC000773990862 585647951 /nfs/dbraw/zinc/64/79/51/585647951.db2.gz UQBZDXRGPLMMDA-UHFFFAOYSA-N 0 0 248.282 2.448 20 5 BEBDRN C/C=C/C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000775259468 585674516 /nfs/dbraw/zinc/67/45/16/585674516.db2.gz UNFXPDVWFHYPHI-SWTNXBIASA-N 0 0 234.255 2.348 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]2CCO)s1 ZINC000777823034 585720554 /nfs/dbraw/zinc/72/05/54/585720554.db2.gz UCGXVYLSXWSVPJ-QMMMGPOBSA-N 0 0 242.300 2.008 20 5 BEBDRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000786516218 585893717 /nfs/dbraw/zinc/89/37/17/585893717.db2.gz VIPAURBSYVYWEL-ZCFIWIBFSA-N 0 0 245.181 2.405 20 5 BEBDRN C[C@H]1CCN(CC[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000791051589 585972711 /nfs/dbraw/zinc/97/27/11/585972711.db2.gz GAJFOCPXOQECAL-QWRGUYRKSA-N 0 0 238.287 2.329 20 5 BEBDRN CC[C@H]1c2ccsc2CCN1CC[N+](=O)[O-] ZINC000791053698 585973269 /nfs/dbraw/zinc/97/32/69/585973269.db2.gz MOTMCMWROGVFMM-JTQLQIEISA-N 0 0 240.328 2.334 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC(F)(F)CC2)cn1 ZINC000795270424 586073936 /nfs/dbraw/zinc/07/39/36/586073936.db2.gz DKHBFFZQMGZXAZ-UHFFFAOYSA-N 0 0 243.213 2.225 20 5 BEBDRN COC1CN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804450891 586396286 /nfs/dbraw/zinc/39/62/86/586396286.db2.gz QVITTZSFWTUUQV-UHFFFAOYSA-N 0 0 242.662 2.083 20 5 BEBDRN Cc1ocnc1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000804578582 586400293 /nfs/dbraw/zinc/40/02/93/586400293.db2.gz KFRUZVIHGZWPDR-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN CC(C)CCOC(=O)c1ccc([N+](=O)[O-])o1 ZINC000807469566 586445397 /nfs/dbraw/zinc/44/53/97/586445397.db2.gz IJBOBWAICRBYFA-UHFFFAOYSA-N 0 0 227.216 2.391 20 5 BEBDRN Cc1scc(C(=O)OC[C@@H](C)[N+](=O)[O-])c1C ZINC000813099885 586591817 /nfs/dbraw/zinc/59/18/17/586591817.db2.gz GAYUHRJYJNILNK-ZCFIWIBFSA-N 0 0 243.284 2.187 20 5 BEBDRN C[C@H](COC(=O)[C@H](C)c1ccsc1)[N+](=O)[O-] ZINC000813102624 586591997 /nfs/dbraw/zinc/59/19/97/586591997.db2.gz UCCLKQHVZGFPFX-HTQZYQBOSA-N 0 0 243.284 2.060 20 5 BEBDRN CCC(CC)[C@@H](C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813102617 586592046 /nfs/dbraw/zinc/59/20/46/586592046.db2.gz TVWBEMGCTRMGRD-DTWKUNHWSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@@H](COC(=O)[C@@H]1CCC(C)(C)C1)[N+](=O)[O-] ZINC000813104613 586592493 /nfs/dbraw/zinc/59/24/93/586592493.db2.gz FKKQYMIVDCCCPS-DTWKUNHWSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](COC(=O)[C@H]1CCC(C)(C)C1)[N+](=O)[O-] ZINC000813104614 586592523 /nfs/dbraw/zinc/59/25/23/586592523.db2.gz FKKQYMIVDCCCPS-IUCAKERBSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](COC(=O)[C@H](C)c1cccs1)[N+](=O)[O-] ZINC000813109813 586593024 /nfs/dbraw/zinc/59/30/24/586593024.db2.gz PLYMDYBNUJELLK-JGVFFNPUSA-N 0 0 243.284 2.060 20 5 BEBDRN CCC(C)(C)CC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813109248 586593180 /nfs/dbraw/zinc/59/31/80/586593180.db2.gz QFHRJBOCLJTDMI-QMMMGPOBSA-N 0 0 217.265 2.021 20 5 BEBDRN CCC[C@H](C)CC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813112341 586593470 /nfs/dbraw/zinc/59/34/70/586593470.db2.gz FRYDRWRVLQOSAW-DTWKUNHWSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@@H](COC(=O)CCCC(C)(C)C)[N+](=O)[O-] ZINC000813115705 586593480 /nfs/dbraw/zinc/59/34/80/586593480.db2.gz YFMMOKMBRRUSKR-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN Cc1cc(C(=O)OC[C@H](C)[N+](=O)[O-])sc1C ZINC000813112442 586593638 /nfs/dbraw/zinc/59/36/38/586593638.db2.gz HFKLOZGFOPMAJW-ZETCQYMHSA-N 0 0 243.284 2.187 20 5 BEBDRN Cc1cc(C)cc(C(=O)OC[C@H](C)[N+](=O)[O-])c1 ZINC000813112089 586593650 /nfs/dbraw/zinc/59/36/50/586593650.db2.gz NKHBMUATHPTTKR-JTQLQIEISA-N 0 0 237.255 2.125 20 5 BEBDRN C[C@H](COC(=O)[C@@H]1CCCCC1(C)C)[N+](=O)[O-] ZINC000813110692 586593666 /nfs/dbraw/zinc/59/36/66/586593666.db2.gz HOELKJFRLXYYQY-ZJUUUORDSA-N 0 0 243.303 2.411 20 5 BEBDRN CC1CC(OC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000813233472 586598216 /nfs/dbraw/zinc/59/82/16/586598216.db2.gz NMOHSJLIJLMJOV-UHFFFAOYSA-N 0 0 249.266 2.479 20 5 BEBDRN CC(C)C[C@@H](C)CC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814040472 586611720 /nfs/dbraw/zinc/61/17/20/586611720.db2.gz HATPORHZCVBOOA-ZJUUUORDSA-N 0 0 231.292 2.267 20 5 BEBDRN CCc1ccccc1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814044817 586612057 /nfs/dbraw/zinc/61/20/57/586612057.db2.gz UWUAGXABCASMBJ-VIFPVBQESA-N 0 0 237.255 2.071 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)CC1=CCCCC1 ZINC000814036509 586612060 /nfs/dbraw/zinc/61/20/60/586612060.db2.gz YXLUWLSLPPOIAP-SECBINFHSA-N 0 0 227.260 2.085 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000814039426 586612350 /nfs/dbraw/zinc/61/23/50/586612350.db2.gz PHKFBJMPEXLEFE-NXEZZACHSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)C[C@H](C)CC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814040470 586612485 /nfs/dbraw/zinc/61/24/85/586612485.db2.gz HATPORHZCVBOOA-VHSXEESVSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)C1CCCC1 ZINC000814041269 586612570 /nfs/dbraw/zinc/61/25/70/586612570.db2.gz RWRHFWWKAILNAO-RKDXNWHRSA-N 0 0 229.276 2.021 20 5 BEBDRN C/C(=C/C(=O)O[C@H](C)C[N+](=O)[O-])c1ccccc1 ZINC000814041194 586612665 /nfs/dbraw/zinc/61/26/65/586612665.db2.gz QEKVQTPONLOROX-HIJJYWJESA-N 0 0 249.266 2.298 20 5 BEBDRN CCC(CC)[C@H](C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814045267 586612723 /nfs/dbraw/zinc/61/27/23/586612723.db2.gz ODGGNEYHZMZDAI-BDAKNGLRSA-N 0 0 231.292 2.267 20 5 BEBDRN Cc1cc(C(=O)O[C@@H](C)C[N+](=O)[O-])c(C)s1 ZINC000814043930 586612801 /nfs/dbraw/zinc/61/28/01/586612801.db2.gz LYKYJVXOIMLHGN-LURJTMIESA-N 0 0 243.284 2.187 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)CCC1CCCC1 ZINC000814043604 586612830 /nfs/dbraw/zinc/61/28/30/586612830.db2.gz YPIICJKZLJUHJV-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN CCC[C@](C)(CC)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814045936 586612955 /nfs/dbraw/zinc/61/29/55/586612955.db2.gz CYLCIDLGOQXMAE-KOLCDFICSA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)CC1CC(C)(C)C1 ZINC000814046647 586612972 /nfs/dbraw/zinc/61/29/72/586612972.db2.gz MTFAXMDKYQZSEE-MRVPVSSYSA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@H]1CC[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])CC1 ZINC000814046493 586612981 /nfs/dbraw/zinc/61/29/81/586612981.db2.gz LRIHMGGKFDQXSW-DCAQKATOSA-N 0 0 243.303 2.411 20 5 BEBDRN CCCC[C@H](CC)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814046756 586613049 /nfs/dbraw/zinc/61/30/49/586613049.db2.gz JAVCBJUUMNXUBY-ZJUUUORDSA-N 0 0 231.292 2.411 20 5 BEBDRN CCC(C)(CC)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814050144 586613180 /nfs/dbraw/zinc/61/31/80/586613180.db2.gz WEWPABXVUFHMAQ-MRVPVSSYSA-N 0 0 217.265 2.021 20 5 BEBDRN CSCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000814765110 586632902 /nfs/dbraw/zinc/63/29/02/586632902.db2.gz REJYCAOEFKHIQO-UHFFFAOYSA-N 0 0 234.664 2.343 20 5 BEBDRN O=C(OCc1cccc([N+](=O)[O-])c1)[C@@H]1CC12CC2 ZINC000817236007 586789056 /nfs/dbraw/zinc/78/90/56/586789056.db2.gz OMYHFOICCKURFH-NSHDSACASA-N 0 0 247.250 2.438 20 5 BEBDRN C=C=CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000820586683 587056643 /nfs/dbraw/zinc/05/66/43/587056643.db2.gz NYNMPLUAUMHFSU-UHFFFAOYSA-N 0 0 225.635 2.396 20 5 BEBDRN C=C=CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000820586319 587056735 /nfs/dbraw/zinc/05/67/35/587056735.db2.gz IMOHYPZMVDBGFY-UHFFFAOYSA-N 0 0 205.217 2.051 20 5 BEBDRN C=C=CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000820586743 587056926 /nfs/dbraw/zinc/05/69/26/587056926.db2.gz PDFWFHQWHVQOHX-UHFFFAOYSA-N 0 0 236.256 2.057 20 5 BEBDRN C=C=CCNc1nccc(C)c1[N+](=O)[O-] ZINC000820586811 587057023 /nfs/dbraw/zinc/05/70/23/587057023.db2.gz RUUOZUVPTMPDCM-UHFFFAOYSA-N 0 0 205.217 2.051 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCOC(F)(F)C2)cc1 ZINC000820594015 587057986 /nfs/dbraw/zinc/05/79/86/587057986.db2.gz FAGIRQGMZAQGOK-UHFFFAOYSA-N 0 0 244.197 2.024 20 5 BEBDRN C[C@@H](COC(=O)[C@@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000821167843 587100046 /nfs/dbraw/zinc/10/00/46/587100046.db2.gz YZQVPEODVCCSQK-KXUCPTDWSA-N 0 0 229.276 2.021 20 5 BEBDRN CCCCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822115086 587153823 /nfs/dbraw/zinc/15/38/23/587153823.db2.gz TUFBUMLBIGAHPD-UHFFFAOYSA-N 0 0 230.308 2.128 20 5 BEBDRN O=C(Oc1cccc(C2CC2)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000822150093 587156630 /nfs/dbraw/zinc/15/66/30/587156630.db2.gz KCKRODCGLIWERZ-VXGBXAGGSA-N 0 0 247.250 2.135 20 5 BEBDRN C[C@H]1CCCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822192560 587158572 /nfs/dbraw/zinc/15/85/72/587158572.db2.gz RIDCPBJLUXSDBB-JTQLQIEISA-N 0 0 242.319 2.223 20 5 BEBDRN CCC[C@@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822346705 587163999 /nfs/dbraw/zinc/16/39/99/587163999.db2.gz MRUGDLYLRXKUAF-SECBINFHSA-N 0 0 230.308 2.127 20 5 BEBDRN CC(C)CCN(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822437802 587168219 /nfs/dbraw/zinc/16/82/19/587168219.db2.gz NZTNAOKOPYJBPR-UHFFFAOYSA-N 0 0 244.335 2.326 20 5 BEBDRN O=C(OCc1ccc([N+](=O)[O-])cc1)C12CC(C1)C2 ZINC000860269398 589092119 /nfs/dbraw/zinc/09/21/19/589092119.db2.gz ZWFMNBWVDSDERU-UHFFFAOYSA-N 0 0 247.250 2.438 20 5 BEBDRN CC[C@@H](C)CONc1ccc([N+](=O)[O-])nc1 ZINC000828241545 587427504 /nfs/dbraw/zinc/42/75/04/587427504.db2.gz NZHLARXDCFVUHF-MRVPVSSYSA-N 0 0 225.248 2.379 20 5 BEBDRN C[C@H]1CC[C@H](n2nc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829833951 587521179 /nfs/dbraw/zinc/52/11/79/587521179.db2.gz OBYROPHOANPEDF-BQBZGAKWSA-N 0 0 240.219 2.061 20 5 BEBDRN CC(C)(C)CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829833956 587521362 /nfs/dbraw/zinc/52/13/62/587521362.db2.gz ODJCAOBNNVTUSH-UHFFFAOYSA-N 0 0 242.235 2.136 20 5 BEBDRN CCC(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000830433571 587551245 /nfs/dbraw/zinc/55/12/45/587551245.db2.gz BNZNXLLDOKKYKB-UHFFFAOYSA-N 0 0 244.335 2.374 20 5 BEBDRN C[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000833030202 587697556 /nfs/dbraw/zinc/69/75/56/587697556.db2.gz VKXKHOIQBUKWEW-PTRXPTGYSA-N 0 0 248.282 2.428 20 5 BEBDRN CC(C)CCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835079510 587780873 /nfs/dbraw/zinc/78/08/73/587780873.db2.gz YILBAGFDUYQFCP-UHFFFAOYSA-N 0 0 231.292 2.411 20 5 BEBDRN CC(C)(CCC(=O)OCc1ccoc1)[N+](=O)[O-] ZINC000835089879 587782048 /nfs/dbraw/zinc/78/20/48/587782048.db2.gz CXWOTGYYWPFUEO-UHFFFAOYSA-N 0 0 241.243 2.158 20 5 BEBDRN CC/C=C\COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835092488 587782673 /nfs/dbraw/zinc/78/26/73/587782673.db2.gz ZFPDNESDMWNGQU-WAYWQWQTSA-N 0 0 229.276 2.331 20 5 BEBDRN C[C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000835102974 587783692 /nfs/dbraw/zinc/78/36/92/587783692.db2.gz ISAQDXZNWLBVMQ-MRVPVSSYSA-N 0 0 229.276 2.164 20 5 BEBDRN CC(C)(CCC(=O)OC1(C)CCC1)[N+](=O)[O-] ZINC000835212669 587789466 /nfs/dbraw/zinc/78/94/66/587789466.db2.gz NENAAPHPDCZEFV-UHFFFAOYSA-N 0 0 229.276 2.308 20 5 BEBDRN CC(C)(CCC(=O)OCC1CC=CC1)[N+](=O)[O-] ZINC000835241609 587791878 /nfs/dbraw/zinc/79/18/78/587791878.db2.gz WPGAYINYRBZTJU-UHFFFAOYSA-N 0 0 241.287 2.331 20 5 BEBDRN CC(C)(CCC(=O)OCC1(C)CC1)[N+](=O)[O-] ZINC000835373784 587798879 /nfs/dbraw/zinc/79/88/79/587798879.db2.gz HQFNNEORYVZRDY-UHFFFAOYSA-N 0 0 229.276 2.165 20 5 BEBDRN CCC[C@@H]1CCC[C@H]1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000835454422 587803040 /nfs/dbraw/zinc/80/30/40/587803040.db2.gz JMICDMDZGMKDIW-HBNTYKKESA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](COC(=O)[C@@]1(C)CCC[C@@H]1C)[N+](=O)[O-] ZINC000835455084 587803135 /nfs/dbraw/zinc/80/31/35/587803135.db2.gz MJSFZRBULZKESO-NGZCFLSTSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](COC(=O)[C@]1(C)CCC[C@H]1C)[N+](=O)[O-] ZINC000835455079 587803138 /nfs/dbraw/zinc/80/31/38/587803138.db2.gz MJSFZRBULZKESO-FXPVBKGRSA-N 0 0 229.276 2.021 20 5 BEBDRN CCC[C@@H]1CCC[C@@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000835468091 587803940 /nfs/dbraw/zinc/80/39/40/587803940.db2.gz YIFBWODQIHJLDO-AXFHLTTASA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)(CCC(=O)OC/C=C/Cl)[N+](=O)[O-] ZINC000837923621 587903281 /nfs/dbraw/zinc/90/32/81/587903281.db2.gz MTVRAUVZNPVEEC-ZZXKWVIFSA-N 0 0 235.667 2.118 20 5 BEBDRN Cc1ccccc1[C@@H](C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673500 587916214 /nfs/dbraw/zinc/91/62/14/587916214.db2.gz QLTDXAJVBWXVSJ-YUSALJHKSA-N 0 0 249.266 2.264 20 5 BEBDRN CC[C@H]1CCCC[C@H]1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841000394 587934085 /nfs/dbraw/zinc/93/40/85/587934085.db2.gz AHGOMIWUOKOKRS-LNFKQOIKSA-N 0 0 241.287 2.164 20 5 BEBDRN C[C@@H]1CCC[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1C ZINC000841173409 587948490 /nfs/dbraw/zinc/94/84/90/587948490.db2.gz WLUYSTUHNJJLLA-RCZSTQMZSA-N 0 0 241.287 2.020 20 5 BEBDRN O=[N+]([O-])C1C[C@H]1c1nc(-c2ccccc2F)no1 ZINC000841742883 587973670 /nfs/dbraw/zinc/97/36/70/587973670.db2.gz HDNRSUKVIBMVLM-VXNVDRBHSA-N 0 0 249.201 2.008 20 5 BEBDRN CN(CCC(C)(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000842631690 588047022 /nfs/dbraw/zinc/04/70/22/588047022.db2.gz PLBUIJZHEQFAIQ-UHFFFAOYSA-N 0 0 240.307 2.117 20 5 BEBDRN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)C1(F)CC1 ZINC000842739093 588057532 /nfs/dbraw/zinc/05/75/32/588057532.db2.gz IRVBSNFGJZAXCJ-UHFFFAOYSA-N 0 0 243.165 2.141 20 5 BEBDRN CC(C)(CCc1noc(C2(F)CC2)n1)[N+](=O)[O-] ZINC000843015724 588075025 /nfs/dbraw/zinc/07/50/25/588075025.db2.gz WIQJUPDUABNKHA-UHFFFAOYSA-N 0 0 243.238 2.016 20 5 BEBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)C1(F)CC1 ZINC000843522515 588119207 /nfs/dbraw/zinc/11/92/07/588119207.db2.gz FDKHRAFQKOXOJD-UHFFFAOYSA-N 0 0 242.181 2.175 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C1(F)CC1 ZINC000843522865 588119304 /nfs/dbraw/zinc/11/93/04/588119304.db2.gz IQBQTQKIJXZQNQ-UHFFFAOYSA-N 0 0 224.191 2.035 20 5 BEBDRN Cc1c(OC(=O)c2cocn2)cccc1[N+](=O)[O-] ZINC000105369632 588151049 /nfs/dbraw/zinc/15/10/49/588151049.db2.gz GPQHXKNXROFXBL-UHFFFAOYSA-N 0 0 248.194 2.110 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC000845577654 588233788 /nfs/dbraw/zinc/23/37/88/588233788.db2.gz PMSUNJUHYXMRGL-GUBZILKMSA-N 0 0 229.276 2.021 20 5 BEBDRN CC(C)(CCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC000845887475 588249592 /nfs/dbraw/zinc/24/95/92/588249592.db2.gz YHUIWUJAEUIIPQ-NXEZZACHSA-N 0 0 241.287 2.021 20 5 BEBDRN C[C@@H]1C[C@H]1C(N)=NOCc1ccc([N+](=O)[O-])cc1 ZINC000848514404 588388828 /nfs/dbraw/zinc/38/88/28/588388828.db2.gz NOYMBLSHUQXKPX-LDYMZIIASA-N 0 0 249.270 2.249 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1ccc(C2CC2)cc1 ZINC000851044221 588586613 /nfs/dbraw/zinc/58/66/13/588586613.db2.gz CBLAVJDBKRAKNL-SECBINFHSA-N 0 0 249.266 2.386 20 5 BEBDRN CC1=CC[C@@](C)(C(=O)O[C@H](C)C[N+](=O)[O-])CC1 ZINC000851044075 588586685 /nfs/dbraw/zinc/58/66/85/588586685.db2.gz AUOPPZMDBVQZCV-ZYHUDNBSSA-N 0 0 241.287 2.331 20 5 BEBDRN C[C@@H]1CC[C@@H](CC(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851125588 588592162 /nfs/dbraw/zinc/59/21/62/588592162.db2.gz FGHJSAGNMUXVPU-NXEZZACHSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H]1CC[C@H](CC(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851125589 588592365 /nfs/dbraw/zinc/59/23/65/588592365.db2.gz FGHJSAGNMUXVPU-UWVGGRQHSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1ccsc1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851123877 588592383 /nfs/dbraw/zinc/59/23/83/588592383.db2.gz XHSMZKCLXDNOOR-UHFFFAOYSA-N 0 0 243.284 2.269 20 5 BEBDRN CC(C)(COC(=O)C1CCCCC1)[N+](=O)[O-] ZINC000851122294 588592393 /nfs/dbraw/zinc/59/23/93/588592393.db2.gz CWYGQCWABRKHDU-UHFFFAOYSA-N 0 0 229.276 2.165 20 5 BEBDRN CS[C@H](C)CCC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127529 588592530 /nfs/dbraw/zinc/59/25/30/588592530.db2.gz OXFLCDBZXQSBTE-MRVPVSSYSA-N 0 0 249.332 2.117 20 5 BEBDRN CC(C)(COC(=O)[C@@H]1CC12CCCC2)[N+](=O)[O-] ZINC000851127366 588592706 /nfs/dbraw/zinc/59/27/06/588592706.db2.gz WBDQAKGHFGMVCH-VIFPVBQESA-N 0 0 241.287 2.165 20 5 BEBDRN C[C@@H]1CC[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851127778 588592817 /nfs/dbraw/zinc/59/28/17/588592817.db2.gz VWNFXFPBDQZPNY-BDAKNGLRSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])C1CCCC1 ZINC000851126887 588592828 /nfs/dbraw/zinc/59/28/28/588592828.db2.gz PWJLFRPGXQFIII-SECBINFHSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@@H](C)CCC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128690 588592940 /nfs/dbraw/zinc/59/29/40/588592940.db2.gz CEKINSLODAEABV-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN CC(C)(COC(=O)C12CCC(CC1)C2)[N+](=O)[O-] ZINC000851128092 588593000 /nfs/dbraw/zinc/59/30/00/588593000.db2.gz IGSHQITUJVJCTP-UHFFFAOYSA-N 0 0 241.287 2.165 20 5 BEBDRN CC(C)(COC(=O)C1=CCCCC1)[N+](=O)[O-] ZINC000851128108 588593099 /nfs/dbraw/zinc/59/30/99/588593099.db2.gz ITAKOPCOKSNVLV-UHFFFAOYSA-N 0 0 227.260 2.085 20 5 BEBDRN CC(C)[C@@]1(C)C[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128426 588593121 /nfs/dbraw/zinc/59/31/21/588593121.db2.gz WFYJRXNDPWFGRM-JOYOIKCWSA-N 0 0 243.303 2.267 20 5 BEBDRN CC1CC(COC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000851461753 588605806 /nfs/dbraw/zinc/60/58/06/588605806.db2.gz AHRPOEUWIOKHNZ-UHFFFAOYSA-N 0 0 239.227 2.391 20 5 BEBDRN CCC(F)(F)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000851489791 588607628 /nfs/dbraw/zinc/60/76/28/588607628.db2.gz WCAAWRQRXBLMRR-UHFFFAOYSA-N 0 0 249.169 2.390 20 5 BEBDRN CCc1ccc(C(=O)OCCC[N+](=O)[O-])s1 ZINC000860913518 589131208 /nfs/dbraw/zinc/13/12/08/589131208.db2.gz DMTBUERMTZOFHR-UHFFFAOYSA-N 0 0 243.284 2.134 20 5 BEBDRN CCc1ccc(C(=O)OCCC[N+](=O)[O-])cc1 ZINC000860911334 589131237 /nfs/dbraw/zinc/13/12/37/589131237.db2.gz JUEMWTBOZGCKDZ-UHFFFAOYSA-N 0 0 237.255 2.073 20 5 BEBDRN C/C(=C\C(=O)OCCC[N+](=O)[O-])c1ccccc1 ZINC000860916562 589131704 /nfs/dbraw/zinc/13/17/04/589131704.db2.gz UODKGONOCFMCMJ-ZHACJKMWSA-N 0 0 249.266 2.300 20 5 BEBDRN CCC1(C(=O)OCCC[N+](=O)[O-])CCCC1 ZINC000860917841 589131864 /nfs/dbraw/zinc/13/18/64/589131864.db2.gz RPHKVUSFGIAWJP-UHFFFAOYSA-N 0 0 229.276 2.167 20 5 BEBDRN CC1(C)CCC(C(=O)OCCC[N+](=O)[O-])CC1 ZINC000860917578 589132053 /nfs/dbraw/zinc/13/20/53/589132053.db2.gz OHXSHQLIUVCTLB-UHFFFAOYSA-N 0 0 243.303 2.413 20 5 BEBDRN C[C@@H]1CCCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860918949 589132339 /nfs/dbraw/zinc/13/23/39/589132339.db2.gz ILRKHPRLSVRSPC-NXEZZACHSA-N 0 0 229.276 2.023 20 5 BEBDRN CCC(C)(CC)C(=O)OCCC[N+](=O)[O-] ZINC000860921212 589132557 /nfs/dbraw/zinc/13/25/57/589132557.db2.gz QILGXUIQJYYSPG-UHFFFAOYSA-N 0 0 217.265 2.023 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])c1csc(Cl)c1 ZINC000860921840 589132775 /nfs/dbraw/zinc/13/27/75/589132775.db2.gz XVUCCNNUVUFSSC-UHFFFAOYSA-N 0 0 249.675 2.225 20 5 BEBDRN CCCC[C@@](C)(F)C(=O)OCCC[N+](=O)[O-] ZINC000860922322 589132906 /nfs/dbraw/zinc/13/29/06/589132906.db2.gz NBTKFEPDXNAQBS-SNVBAGLBSA-N 0 0 235.255 2.115 20 5 BEBDRN CC(C)(CCC(=O)OCC(C)(F)F)[N+](=O)[O-] ZINC000861221995 589151808 /nfs/dbraw/zinc/15/18/08/589151808.db2.gz VARWFXYTNOFVPT-UHFFFAOYSA-N 0 0 239.218 2.020 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCC(F)(F)Cl ZINC000863295048 589277338 /nfs/dbraw/zinc/27/73/38/589277338.db2.gz JAGKNPKBADYJMN-UHFFFAOYSA-N 0 0 239.609 2.321 20 5 BEBDRN CCCOCOc1ccc([N+](=O)[O-])c(OC)c1 ZINC000863328002 589280209 /nfs/dbraw/zinc/28/02/09/589280209.db2.gz DYJAKXMZEWNCDC-UHFFFAOYSA-N 0 0 241.243 2.366 20 5 BEBDRN CC(C)c1cccc(Cn2ncc([N+](=O)[O-])n2)c1 ZINC000863370315 589283989 /nfs/dbraw/zinc/28/39/89/589283989.db2.gz ATNLFHYPAOSVHM-UHFFFAOYSA-N 0 0 246.270 2.358 20 5 BEBDRN CC1CCC(Cn2ncc([N+](=O)[O-])n2)CC1 ZINC000863374405 589284690 /nfs/dbraw/zinc/28/46/90/589284690.db2.gz ROBMDIHMYCEJBI-UHFFFAOYSA-N 0 0 224.264 2.013 20 5 BEBDRN CCCC[C@@H](CC)Cn1ncc([N+](=O)[O-])n1 ZINC000863374228 589284709 /nfs/dbraw/zinc/28/47/09/589284709.db2.gz LGZXCNQQZFNDMF-SECBINFHSA-N 0 0 226.280 2.403 20 5 BEBDRN Cc1cc(C)c(Cn2ncc([N+](=O)[O-])n2)c(C)c1 ZINC000863374497 589284921 /nfs/dbraw/zinc/28/49/21/589284921.db2.gz TWNWUYMQYRGHDI-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN CC(C)/C=C/c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642249 589386869 /nfs/dbraw/zinc/38/68/69/589386869.db2.gz LEFANOGLJVJKQH-AATRIKPKSA-N 0 0 238.291 2.003 20 5 BEBDRN O=C(Cc1ccoc1)Oc1cccc([N+](=O)[O-])c1 ZINC000120555709 589434692 /nfs/dbraw/zinc/43/46/92/589434692.db2.gz BWEJQLLAWNIXKE-UHFFFAOYSA-N 0 0 247.206 2.336 20 5 BEBDRN CC(C)OCCONc1ccsc1[N+](=O)[O-] ZINC000865822375 589463082 /nfs/dbraw/zinc/46/30/82/589463082.db2.gz FMUFADLRTKXDGI-UHFFFAOYSA-N 0 0 246.288 2.425 20 5 BEBDRN Cc1ccc(N(C)CCF)c([N+](=O)[O-])c1 ZINC000865839858 589464280 /nfs/dbraw/zinc/46/42/80/589464280.db2.gz VTQCNSPTTGTWDW-UHFFFAOYSA-N 0 0 212.224 2.309 20 5 BEBDRN CS[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000866102074 589476145 /nfs/dbraw/zinc/47/61/45/589476145.db2.gz FWOWPOMFKANJKR-IZLXSQMJSA-N 0 0 245.329 2.357 20 5 BEBDRN CCON(CC)c1ncc(C)cc1[N+](=O)[O-] ZINC000866305979 589484275 /nfs/dbraw/zinc/48/42/75/589484275.db2.gz AVDIPKDFKCFQJW-UHFFFAOYSA-N 0 0 225.248 2.076 20 5 BEBDRN CCON(CC)c1ccc([N+](=O)[O-])c(C)n1 ZINC000866306405 589485214 /nfs/dbraw/zinc/48/52/14/589485214.db2.gz GWXCHLAEUBYBPQ-UHFFFAOYSA-N 0 0 225.248 2.076 20 5 BEBDRN CCON(CC)c1ccccc1[N+](=O)[O-] ZINC000866306000 589485359 /nfs/dbraw/zinc/48/53/59/589485359.db2.gz BFNRDYVNBFAXNN-UHFFFAOYSA-N 0 0 210.233 2.373 20 5 BEBDRN CCc1ncn(Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000871753903 589805933 /nfs/dbraw/zinc/80/59/33/589805933.db2.gz WKYFYNFIDUTJPO-UHFFFAOYSA-N 0 0 246.270 2.105 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1CNc1nnco1 ZINC000871863676 589827063 /nfs/dbraw/zinc/82/70/63/589827063.db2.gz YHYHGJQUMMXSFI-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)C1CC1 ZINC000874200866 590097275 /nfs/dbraw/zinc/09/72/75/590097275.db2.gz XMODYMBCLOTDRW-UHFFFAOYSA-N 0 0 248.282 2.446 20 5 BEBDRN Cc1ccc(/C=C\N2CCCC2=O)cc1[N+](=O)[O-] ZINC000876501947 590203329 /nfs/dbraw/zinc/20/33/29/590203329.db2.gz SDRKQSQFPZGIFO-VURMDHGXSA-N 0 0 246.266 2.496 20 5 BEBDRN Cc1ccccc1NCc1cn(C)nc1[N+](=O)[O-] ZINC000876818212 590245623 /nfs/dbraw/zinc/24/56/23/590245623.db2.gz RRQIGSYHAHKKTQ-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1CN1CC(F)C1 ZINC000877307701 590308240 /nfs/dbraw/zinc/30/82/40/590308240.db2.gz KMHQHWAGDMTTBA-UHFFFAOYSA-N 0 0 238.262 2.365 20 5 BEBDRN C=C/C=C/CCn1c(C)ccc([N+](=O)[O-])c1=O ZINC000877881248 590437678 /nfs/dbraw/zinc/43/76/78/590437678.db2.gz DBWQDYGSZKYEHD-SNAWJCMRSA-N 0 0 234.255 2.197 20 5 BEBDRN CCON(CC)Cc1cccc([N+](=O)[O-])c1 ZINC000879794644 590873071 /nfs/dbraw/zinc/87/30/71/590873071.db2.gz GBJLEMMPHVQCJN-UHFFFAOYSA-N 0 0 224.260 2.368 20 5 BEBDRN C=C/C=C\CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000881568027 591242841 /nfs/dbraw/zinc/24/28/41/591242841.db2.gz ZAWWNUKBYNBFKE-WAYWQWQTSA-N 0 0 240.303 2.070 20 5 BEBDRN C[C@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881734749 591268200 /nfs/dbraw/zinc/26/82/00/591268200.db2.gz QNQUCWSZRUTQNL-QMMMGPOBSA-N 0 0 239.250 2.365 20 5 BEBDRN C[C@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])[C@H]1C ZINC000882053751 591292333 /nfs/dbraw/zinc/29/23/33/591292333.db2.gz YUQWRIKQAHFXPM-YUMQZZPRSA-N 0 0 239.250 2.364 20 5 BEBDRN CC1(C)CCC[C@@H](Cn2cnc([N+](=O)[O-])c2)O1 ZINC000882092264 591296446 /nfs/dbraw/zinc/29/64/46/591296446.db2.gz BXXMZYKFDCSGHJ-VIFPVBQESA-N 0 0 239.275 2.139 20 5 BEBDRN Cc1cc(SC[C@@H](C)O)c([N+](=O)[O-])s1 ZINC000882737765 591424871 /nfs/dbraw/zinc/42/48/71/591424871.db2.gz VXCFKPHZOSEGQX-RXMQYKEDSA-N 0 0 233.314 2.438 20 5 BEBDRN C[C@H](O)CSc1ncc([N+](=O)[O-])cc1Cl ZINC000882738232 591424994 /nfs/dbraw/zinc/42/49/94/591424994.db2.gz NYFBDCFOXCKDSM-YFKPBYRVSA-N 0 0 248.691 2.116 20 5 BEBDRN Cc1cc(SC[C@H](C)O)c([N+](=O)[O-])s1 ZINC000882738472 591425343 /nfs/dbraw/zinc/42/53/43/591425343.db2.gz VXCFKPHZOSEGQX-YFKPBYRVSA-N 0 0 233.314 2.438 20 5 BEBDRN Cc1cnc(N2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000882806919 591445710 /nfs/dbraw/zinc/44/57/10/591445710.db2.gz XYXOGIBYEWNVLR-UHFFFAOYSA-N 0 0 239.250 2.237 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCC(F)CC2)n1 ZINC000882806001 591445780 /nfs/dbraw/zinc/44/57/80/591445780.db2.gz GDQJYHJZUBIEDM-UHFFFAOYSA-N 0 0 239.250 2.237 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](CF)C2)n1 ZINC000882841230 591452374 /nfs/dbraw/zinc/45/23/74/591452374.db2.gz PVQZQLNWGXHWSV-SECBINFHSA-N 0 0 239.250 2.094 20 5 BEBDRN CCCOC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000134812756 591951926 /nfs/dbraw/zinc/95/19/26/591951926.db2.gz GIKLBUYSMNGMEL-UHFFFAOYSA-N 0 0 223.228 2.091 20 5 BEBDRN O=[N+]([O-])c1sccc1N1C[C@@H]2C[C@@H]2C1 ZINC000884587904 591985855 /nfs/dbraw/zinc/98/58/55/591985855.db2.gz TWUBTXVMOBGUPE-KNVOCYPGSA-N 0 0 210.258 2.112 20 5 BEBDRN CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H]2C[C@@H]2C1 ZINC000884591183 591989965 /nfs/dbraw/zinc/98/99/65/591989965.db2.gz MWKIQSWXLVCDLG-AOOOYVTPSA-N 0 0 246.266 2.254 20 5 BEBDRN C[N@H+](Cc1cccnc1[N+](=O)[O-])CC(C)(C)C ZINC000885981341 592120422 /nfs/dbraw/zinc/12/04/22/592120422.db2.gz CQWPTPKXEOOIQS-UHFFFAOYSA-N 0 0 237.303 2.468 20 5 BEBDRN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ncco1 ZINC000886275528 592195315 /nfs/dbraw/zinc/19/53/15/592195315.db2.gz CFQQBLCQMNHMGX-SECBINFHSA-N 0 0 247.254 2.434 20 5 BEBDRN C[C@H](CNC(=O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000887405148 592502631 /nfs/dbraw/zinc/50/26/31/592502631.db2.gz USPIOIRPWXMIOU-SECBINFHSA-N 0 0 248.282 2.225 20 5 BEBDRN CCC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000887405179 592503131 /nfs/dbraw/zinc/50/31/31/592503131.db2.gz UXZNOZVWYNAPLX-VIFPVBQESA-N 0 0 236.271 2.225 20 5 BEBDRN CCN(C)C(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000888069331 592572898 /nfs/dbraw/zinc/57/28/98/592572898.db2.gz FEEGWEYITRTCEV-UHFFFAOYSA-N 0 0 236.271 2.304 20 5 BEBDRN C[C@H](CO)Nc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000235460447 635577820 /nfs/dbraw/zinc/57/78/20/635577820.db2.gz ALEPNCYIQZGEOE-RXMQYKEDSA-N 0 0 248.641 2.180 20 5 BEBDRN O=C(OCC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000126747891 631334777 /nfs/dbraw/zinc/33/47/77/631334777.db2.gz FHXXFECOZLUXFQ-UHFFFAOYSA-N 0 0 231.154 2.017 20 5 BEBDRN Cc1cccc(CNc2c([N+](=O)[O-])cnn2C)c1 ZINC000891695893 631452526 /nfs/dbraw/zinc/45/25/26/631452526.db2.gz FGVDOOQSLJCOAR-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN C[C@@H]1[C@@H](C)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000610588425 631500039 /nfs/dbraw/zinc/50/00/39/631500039.db2.gz ZUVMECRCYORPQO-DTWKUNHWSA-N 0 0 221.260 2.225 20 5 BEBDRN C[C@H](O)COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000309089580 631874857 /nfs/dbraw/zinc/87/48/57/631874857.db2.gz CUZYBSIVBXAYMH-LURJTMIESA-N 0 0 231.635 2.008 20 5 BEBDRN C[C@H](NCC[N+](=O)[O-])c1ccccc1Cl ZINC000309114315 631887387 /nfs/dbraw/zinc/88/73/87/631887387.db2.gz KTDATQQLAANGBX-QMMMGPOBSA-N 0 0 228.679 2.267 20 5 BEBDRN C[C@@H]1C[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000309241577 631982668 /nfs/dbraw/zinc/98/26/68/631982668.db2.gz AWFJCGOIVXBEOK-HTQZYQBOSA-N 0 0 221.260 2.245 20 5 BEBDRN CCON(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000780661439 632037179 /nfs/dbraw/zinc/03/71/79/632037179.db2.gz WJQDMAXYYJRJLD-UHFFFAOYSA-N 0 0 231.639 2.031 20 5 BEBDRN COC[C@@H](C)CNc1cccc(F)c1[N+](=O)[O-] ZINC000044477133 632110289 /nfs/dbraw/zinc/11/02/89/632110289.db2.gz UKUNBZPXPKYICG-QMMMGPOBSA-N 0 0 242.250 2.428 20 5 BEBDRN Nc1ccc(OCc2ccccn2)cc1[N+](=O)[O-] ZINC000140213198 635873810 /nfs/dbraw/zinc/87/38/10/635873810.db2.gz MGNCVQLUPCJYIT-UHFFFAOYSA-N 0 0 245.238 2.151 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1N[C@@H]1C=CCC1 ZINC000894522557 635906422 /nfs/dbraw/zinc/90/64/22/635906422.db2.gz KPLKVWPQMAGALO-MRVPVSSYSA-N 0 0 235.243 2.129 20 5 BEBDRN Cn1ccc(CNc2ccc([N+](=O)[O-])s2)n1 ZINC000309602628 633210250 /nfs/dbraw/zinc/21/02/50/633210250.db2.gz XBIMKXCLVHCZMT-UHFFFAOYSA-N 0 0 238.272 2.002 20 5 BEBDRN CCNC(=S)Nc1cc([N+](=O)[O-])ccc1F ZINC000007571686 636291679 /nfs/dbraw/zinc/29/16/79/636291679.db2.gz NZRBYRGTPZCZGL-UHFFFAOYSA-N 0 0 243.263 2.040 20 5 BEBDRN O=[N+]([O-])c1ncccc1OC/C=C/Cl ZINC000121637916 636354849 /nfs/dbraw/zinc/35/48/49/636354849.db2.gz OGPZRTYYVFUANG-DUXPYHPUSA-N 0 0 214.608 2.121 20 5 BEBDRN O=C(OCc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000728990562 636445555 /nfs/dbraw/zinc/44/55/55/636445555.db2.gz HJWGFGROKABTQC-UHFFFAOYSA-N 0 0 239.202 2.187 20 5 BEBDRN C[C@@H]1C[C@@H]1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000729088396 636600562 /nfs/dbraw/zinc/60/05/62/636600562.db2.gz RIGMRAGOLBVAPH-RNFRBKRXSA-N 0 0 225.200 2.001 20 5 BEBDRN Cc1nccn1CCNc1ccc([N+](=O)[O-])cc1 ZINC000310955893 636723486 /nfs/dbraw/zinc/72/34/86/636723486.db2.gz SKDSUPLZGBMUER-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NC/C=C\Cl ZINC000897504039 636729069 /nfs/dbraw/zinc/72/90/69/636729069.db2.gz UNLMCTRERARIHA-PLNGDYQASA-N 0 0 244.682 2.284 20 5 BEBDRN O=C1C[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1 ZINC000034507639 636935683 /nfs/dbraw/zinc/93/56/83/636935683.db2.gz CZGRFXYUKQKSJM-TXEJJXNPSA-N 0 0 246.266 2.295 20 5 BEBDRN COc1cc(Cl)c(C)cc1NCC[N+](=O)[O-] ZINC000905297707 637728101 /nfs/dbraw/zinc/72/81/01/637728101.db2.gz CKEZMHFMWNZWBI-UHFFFAOYSA-N 0 0 244.678 2.346 20 5 BEBDRN CSc1cccc(NCC[N+](=O)[O-])c1C ZINC000905328743 637760200 /nfs/dbraw/zinc/76/02/00/637760200.db2.gz JPTLXQMJCXKWNE-UHFFFAOYSA-N 0 0 226.301 2.406 20 5 BEBDRN CSc1ccc(C)c(NCC[N+](=O)[O-])c1 ZINC000905327490 637760676 /nfs/dbraw/zinc/76/06/76/637760676.db2.gz BDYRFOWMMXSWJX-UHFFFAOYSA-N 0 0 226.301 2.406 20 5 BEBDRN CCOc1ccc(NCC[N+](=O)[O-])cc1Cl ZINC000905307476 637766587 /nfs/dbraw/zinc/76/65/87/637766587.db2.gz GEHJKTWHMXGHPB-UHFFFAOYSA-N 0 0 244.678 2.427 20 5 BEBDRN O=[N+]([O-])CCNc1ccc(C2CC2)cc1 ZINC000905331807 637780359 /nfs/dbraw/zinc/78/03/59/637780359.db2.gz TVGFJKPWXMJWHS-UHFFFAOYSA-N 0 0 206.245 2.253 20 5 BEBDRN CSCCc1ccccc1NCC[N+](=O)[O-] ZINC000905400339 637795730 /nfs/dbraw/zinc/79/57/30/637795730.db2.gz REBYTGAKCFLCNC-UHFFFAOYSA-N 0 0 240.328 2.281 20 5 BEBDRN CC[C@H](NCC[N+](=O)[O-])c1ccccc1F ZINC000930848774 639944991 /nfs/dbraw/zinc/94/49/91/639944991.db2.gz IILWSLDDDBSLNV-NSHDSACASA-N 0 0 226.251 2.143 20 5 BEBDRN O=[N+]([O-])CCN[C@@H](C(F)F)C1CCCCC1 ZINC000931103632 640066547 /nfs/dbraw/zinc/06/65/47/640066547.db2.gz DNIWGSHEJMUVPP-SECBINFHSA-N 0 0 236.262 2.067 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000057383204 640603823 /nfs/dbraw/zinc/60/38/23/640603823.db2.gz SYUYIURUHBBKGZ-POYBYMJQSA-N 0 0 238.218 2.328 20 5 BEBDRN Cc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)on1 ZINC000061058132 640917301 /nfs/dbraw/zinc/91/73/01/640917301.db2.gz XYDANEKCGLIXIT-UHFFFAOYSA-N 0 0 248.194 2.110 20 5 BEBDRN O=C(OCC1CC1)c1csc([N+](=O)[O-])c1 ZINC000171404808 640975935 /nfs/dbraw/zinc/97/59/35/640975935.db2.gz ZMRGNADVAYXDPD-UHFFFAOYSA-N 0 0 227.241 2.223 20 5 BEBDRN CC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000062823910 641096433 /nfs/dbraw/zinc/09/64/33/641096433.db2.gz MRJXKZFCORIREK-SSDOTTSWSA-N 0 0 238.243 2.132 20 5 BEBDRN C[C@@H]1c2ccc(F)cc2CCN1CC[N+](=O)[O-] ZINC000929689967 641398889 /nfs/dbraw/zinc/39/88/89/641398889.db2.gz JZXBARPDBVHJAD-SECBINFHSA-N 0 0 238.262 2.022 20 5 BEBDRN C/C=C\C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000211361850 641478383 /nfs/dbraw/zinc/47/83/83/641478383.db2.gz JDLCXYZJLGLGDG-RQOWECAXSA-N 0 0 206.201 2.109 20 5 BEBDRN C[C@@H](Nc1nc2ccccn2c1[N+](=O)[O-])C1CC1 ZINC000030773290 641524800 /nfs/dbraw/zinc/52/48/00/641524800.db2.gz SVFJOXYUGWLFBS-MRVPVSSYSA-N 0 0 246.270 2.453 20 5 BEBDRN CCC(CC)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000762107654 641716554 /nfs/dbraw/zinc/71/65/54/641716554.db2.gz BTSAMAUVOWPWHI-UHFFFAOYSA-N 0 0 240.259 2.279 20 5 BEBDRN CC[C@@H]1C[C@H]1Cn1c(C)c([N+](=O)[O-])ccc1=O ZINC000917740133 642112671 /nfs/dbraw/zinc/11/26/71/642112671.db2.gz DLZKODRSIWJGNK-ZJUUUORDSA-N 0 0 236.271 2.111 20 5 BEBDRN Cc1nn(C2CCSCC2)cc1[N+](=O)[O-] ZINC000917733367 642115196 /nfs/dbraw/zinc/11/51/96/642115196.db2.gz SGCPPEFXBAIUID-UHFFFAOYSA-N 0 0 227.289 2.168 20 5 BEBDRN Cc1ccccc1OCCn1nccc1[N+](=O)[O-] ZINC000918160650 642174933 /nfs/dbraw/zinc/17/49/33/642174933.db2.gz NARWCTCDWSCYHU-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN O=[N+]([O-])c1nccn1CCCc1ccccc1 ZINC000918342168 642187404 /nfs/dbraw/zinc/18/74/04/642187404.db2.gz BNYFDVFDQOGEPO-UHFFFAOYSA-N 0 0 231.255 2.424 20 5 BEBDRN CCc1ccccc1Cn1ccnc1[N+](=O)[O-] ZINC000918377893 642192772 /nfs/dbraw/zinc/19/27/72/642192772.db2.gz MTORTYZDGDTUTF-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN O=[N+]([O-])c1nccn1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000918396847 642193145 /nfs/dbraw/zinc/19/31/45/642193145.db2.gz OFZHGGJQISPECI-RNLVFQAGSA-N 0 0 243.213 2.083 20 5 BEBDRN O=Cc1c[nH]nc1C=Cc1ccccc1[N+](=O)[O-] ZINC000098125515 642676634 /nfs/dbraw/zinc/67/66/34/642676634.db2.gz IKGCQEPAZAMNLB-AATRIKPKSA-N 0 0 243.222 2.301 20 5 BEBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OCCF ZINC000254943983 643175170 /nfs/dbraw/zinc/17/51/70/643175170.db2.gz IRHUESUFQCJGIA-UTCJRWHESA-N 0 0 239.202 2.121 20 5 BEBDRN C[C@H]1CCC[C@]1(C)C(=O)OCCC[N+](=O)[O-] ZINC000860918618 643357819 /nfs/dbraw/zinc/35/78/19/643357819.db2.gz AXTNWYFBIRUFPF-ONGXEEELSA-N 0 0 229.276 2.023 20 5 BEBDRN C[C@@H]1CCCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860918952 643357919 /nfs/dbraw/zinc/35/79/19/643357919.db2.gz ILRKHPRLSVRSPC-ZJUUUORDSA-N 0 0 229.276 2.023 20 5 BEBDRN CCCOC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000035188421 643914692 /nfs/dbraw/zinc/91/46/92/643914692.db2.gz JTYXUAWBGKDYJS-UHFFFAOYSA-N 0 0 223.228 2.470 20 5 BEBDRN C[C@@H](CO)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000155108628 644050642 /nfs/dbraw/zinc/05/06/42/644050642.db2.gz TWMJBIWIIQKQBE-ZETCQYMHSA-N 0 0 245.662 2.255 20 5 BEBDRN CSCC(=O)Oc1cc([N+](=O)[O-])ccc1C ZINC000079202559 644163383 /nfs/dbraw/zinc/16/33/83/644163383.db2.gz NBLTYRXXTBFHBF-UHFFFAOYSA-N 0 0 241.268 2.172 20 5 BEBDRN C/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000082255091 644360573 /nfs/dbraw/zinc/36/05/73/644360573.db2.gz STNMGZTUPXCSFY-ONEGZZNKSA-N 0 0 220.228 2.418 20 5 BEBDRN C/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000082255092 644361090 /nfs/dbraw/zinc/36/10/90/644361090.db2.gz ZBRIXXIXXRISPO-HWKANZROSA-N 0 0 220.228 2.418 20 5 BEBDRN CC(C)OC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000082404059 644373519 /nfs/dbraw/zinc/37/35/19/644373519.db2.gz ZSNOUGJIFHRQGP-UHFFFAOYSA-N 0 0 227.191 2.299 20 5 BEBDRN C[C@H](O)COc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000304341429 644894116 /nfs/dbraw/zinc/89/41/16/644894116.db2.gz FLUQJVPGVRWNSL-YFKPBYRVSA-N 0 0 249.625 2.147 20 5 BEBDRN CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000304363909 644896397 /nfs/dbraw/zinc/89/63/97/644896397.db2.gz ZBVNZIATAKKJGF-UHFFFAOYSA-N 0 0 243.650 2.390 20 5 BEBDRN CCCN(CC[N+](=O)[O-])Cc1ccccc1F ZINC000929385061 646105377 /nfs/dbraw/zinc/10/53/77/646105377.db2.gz FGIQYDKNMSQTLB-UHFFFAOYSA-N 0 0 240.278 2.314 20 5 BEBDRN Cc1nc(C)c([C@H](C)N(C)CC[N+](=O)[O-])s1 ZINC000929599792 646189573 /nfs/dbraw/zinc/18/95/73/646189573.db2.gz GWYVSDJBRPZPHK-QMMMGPOBSA-N 0 0 243.332 2.029 20 5 BEBDRN CC1(C)CN(CC[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000930015771 646394382 /nfs/dbraw/zinc/39/43/82/646394382.db2.gz MLXAANDVTMTAPI-GFCCVEGCSA-N 0 0 234.299 2.346 20 5 BEBDRN CCN(C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930029684 646402293 /nfs/dbraw/zinc/40/22/93/646402293.db2.gz XMVCIVCDMLDOJA-NWDGAFQWSA-N 0 0 248.282 2.177 20 5 BEBDRN CCN(C)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930029687 646402649 /nfs/dbraw/zinc/40/26/49/646402649.db2.gz XMVCIVCDMLDOJA-VXGBXAGGSA-N 0 0 248.282 2.177 20 5 BEBDRN Cc1cccc(C2=CCN(CC[N+](=O)[O-])CC2)c1 ZINC000930169810 646469982 /nfs/dbraw/zinc/46/99/82/646469982.db2.gz JOZPCJQXNHLXQY-UHFFFAOYSA-N 0 0 246.310 2.361 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(NC2CSC2)c(F)c1 ZINC000702371278 712049373 /nfs/dbraw/zinc/04/93/73/712049373.db2.gz OBTLQJPLOLTHNN-UHFFFAOYSA-N 0 0 246.238 2.400 20 5 BEBDRN COC(C)(C)CCNc1cccnc1[N+](=O)[O-] ZINC000711830958 712333034 /nfs/dbraw/zinc/33/30/34/712333034.db2.gz HKCBMCULWHMDAS-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN COCOCCCNc1ccccc1[N+](=O)[O-] ZINC000717652704 712663391 /nfs/dbraw/zinc/66/33/91/712663391.db2.gz ADOMOXRFLNANIK-UHFFFAOYSA-N 0 0 240.259 2.017 20 5 BEBDRN COC(C)(C)[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000720243089 712829793 /nfs/dbraw/zinc/82/97/93/712829793.db2.gz RYJZCODMPROLGT-ZCFIWIBFSA-N 0 0 245.304 2.277 20 5 BEBDRN O=c1[nH]ccc(N[C@@H]2CC23CCC3)c1[N+](=O)[O-] ZINC000721206521 712898604 /nfs/dbraw/zinc/89/86/04/712898604.db2.gz HXNSRESQOYDAPN-MRVPVSSYSA-N 0 0 235.243 2.050 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@H]1CC12CCC2 ZINC000721230259 712899635 /nfs/dbraw/zinc/89/96/35/712899635.db2.gz KILGZAAQJHAOHF-SECBINFHSA-N 0 0 219.244 2.344 20 5 BEBDRN C[C@H]1C[C@H]1COc1cc(C=O)ccc1[N+](=O)[O-] ZINC000722674156 711463709 /nfs/dbraw/zinc/46/37/09/711463709.db2.gz LBEYVLZBNNBWJH-WPRPVWTQSA-N 0 0 235.239 2.442 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC23CC(O)C3)c1 ZINC000724991971 711641715 /nfs/dbraw/zinc/64/17/15/711641715.db2.gz VSLMANPJHKSAKN-BKDHPRRPSA-N 0 0 248.282 2.229 20 5 BEBDRN C[C@@H](CO)SCc1cc(F)ccc1[N+](=O)[O-] ZINC000160696279 711809840 /nfs/dbraw/zinc/80/98/40/711809840.db2.gz CKXKLFCFPLFHLK-ZETCQYMHSA-N 0 0 245.275 2.348 20 5 BEBDRN Cc1ccnc(N[C@H]2C=CCC2)c1[N+](=O)[O-] ZINC000700523394 711996697 /nfs/dbraw/zinc/99/66/97/711996697.db2.gz DWWNHJFBLKOGBS-VIFPVBQESA-N 0 0 219.244 2.429 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2C=CCC2)nc1 ZINC000711678632 712315995 /nfs/dbraw/zinc/31/59/95/712315995.db2.gz IJXXPACFXLWHTJ-SECBINFHSA-N 0 0 219.244 2.368 20 5 BEBDRN O=[N+]([O-])c1ncccc1NC[C@@H]1C=CCC1 ZINC000711681197 712316419 /nfs/dbraw/zinc/31/64/19/712316419.db2.gz URFKUTOIDVBLML-SECBINFHSA-N 0 0 219.244 2.368 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCOC2CC2)cc1F ZINC000711686641 712317311 /nfs/dbraw/zinc/31/73/11/712317311.db2.gz GBRSIAQGZPCSFQ-UHFFFAOYSA-N 0 0 241.218 2.292 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1N1C[C@@H](F)[C@@H](F)C1 ZINC000714518828 712494307 /nfs/dbraw/zinc/49/43/07/712494307.db2.gz PXROSPUFSCOYFH-OCAPTIKFSA-N 0 0 246.188 2.230 20 5 BEBDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000716634538 712567905 /nfs/dbraw/zinc/56/79/05/712567905.db2.gz BRMONLOIXSASMU-HZQMYPQZSA-N 0 0 248.286 2.089 20 5 BEBDRN CC[C@H](C)[C@@H](C)Oc1ncncc1[N+](=O)[O-] ZINC001228654710 963884167 /nfs/dbraw/zinc/88/41/67/963884167.db2.gz MWXMEMZMZZJUBE-JGVFFNPUSA-N 0 0 225.248 2.198 20 5 BEBDRN COc1ccc(NCC(C)(C)C)nc1[N+](=O)[O-] ZINC001161636615 964653972 /nfs/dbraw/zinc/65/39/72/964653972.db2.gz HVWLDEMDICFYBM-UHFFFAOYSA-N 0 0 239.275 2.456 20 5 BEBDRN Cc1csc(Nc2ccc([N+](=O)[O-])nc2)n1 ZINC001203559942 966691895 /nfs/dbraw/zinc/69/18/95/966691895.db2.gz BCEZIIXONYVFEC-UHFFFAOYSA-N 0 0 236.256 2.498 20 5 BEBDRN C[C@@H](O)CO[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001205778651 967821417 /nfs/dbraw/zinc/82/14/17/967821417.db2.gz RCIDQXLEWSWTLZ-BDAKNGLRSA-N 0 0 225.244 2.053 20 5 BEBDRN COC[C@H](C)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000086500077 1166980441 /nfs/dbraw/zinc/98/04/41/1166980441.db2.gz OEPYLEJMYKDTOJ-ZETCQYMHSA-N 0 0 229.207 2.148 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2CCCC2)cn1 ZINC001226710510 975042014 /nfs/dbraw/zinc/04/20/14/975042014.db2.gz QTXRUHGXZZVMHM-UHFFFAOYSA-N 0 0 208.217 2.311 20 5 BEBDRN CC[C@@H](Oc1ncc([N+](=O)[O-])cn1)C(C)C ZINC001226734192 975052260 /nfs/dbraw/zinc/05/22/60/975052260.db2.gz VVQNXZNRHVIDGE-SECBINFHSA-N 0 0 225.248 2.198 20 5 BEBDRN CCO[C@@H](C)COc1ncc(C)cc1[N+](=O)[O-] ZINC001227236602 975322455 /nfs/dbraw/zinc/32/24/55/975322455.db2.gz ILMILDJXDXKBKQ-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1cc(C)nc(O[C@H](C[N+](=O)[O-])C2CC2)c1 ZINC001227248330 975329004 /nfs/dbraw/zinc/32/90/04/975329004.db2.gz VCYQMRCGHKQZIT-LLVKDONJSA-N 0 0 236.271 2.133 20 5 BEBDRN CC/C(C)=C(/C)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001595864444 978149837 /nfs/dbraw/zinc/14/98/37/978149837.db2.gz UHXGXXFBYLPFRI-SREVYHEPSA-N 0 0 238.247 2.003 20 5 BEBDRN C[C@@H](O)C(C)(C)CNc1ccc([N+](=O)[O-])cc1 ZINC001337309915 978274759 /nfs/dbraw/zinc/27/47/59/978274759.db2.gz XYPIXLDXFLJJTP-SECBINFHSA-N 0 0 238.287 2.414 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC1CC(=O)C1 ZINC000085505939 1167802836 /nfs/dbraw/zinc/80/28/36/1167802836.db2.gz VFZLVLLNWFVVMH-UHFFFAOYSA-N 0 0 221.212 2.014 20 5 BEBDRN C[C@H](O)C(C)(C)CNc1ccc([N+](=O)[O-])s1 ZINC001338141793 978621675 /nfs/dbraw/zinc/62/16/75/978621675.db2.gz JQVMFZBOBDDLDO-ZETCQYMHSA-N 0 0 244.316 2.475 20 5 BEBDRN CC1(Nc2cccnc2[N+](=O)[O-])CCC1 ZINC000159974783 1168817109 /nfs/dbraw/zinc/81/71/09/1168817109.db2.gz VHICRDYKRBNXQA-UHFFFAOYSA-N 0 0 207.233 2.344 20 5 BEBDRN Cc1nnc(-c2csc([N+](=O)[O-])c2)o1 ZINC001253437436 1168967466 /nfs/dbraw/zinc/96/74/66/1168967466.db2.gz XCLNMUFGFQEASP-UHFFFAOYSA-N 0 0 211.202 2.015 20 5 BEBDRN CC(=O)[C@H](C)Oc1c(F)c(F)ccc1[N+](=O)[O-] ZINC001225964392 974743422 /nfs/dbraw/zinc/74/34/22/974743422.db2.gz ZJJBIPPKODOKJR-LURJTMIESA-N 0 0 245.181 2.229 20 5 BEBDRN CC[C@H](COC)Oc1nccc(C)c1[N+](=O)[O-] ZINC001226117737 974798116 /nfs/dbraw/zinc/79/81/16/974798116.db2.gz GPVFSEIELGXZQB-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1cccc(COC[C@@H]2CCO2)c1[N+](=O)[O-] ZINC001223661045 973215442 /nfs/dbraw/zinc/21/54/42/973215442.db2.gz KKTVIQTUGNMDJS-NSHDSACASA-N 0 0 237.255 2.209 20 5 BEBDRN CC[C@@H](C)CO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001224665893 973838216 /nfs/dbraw/zinc/83/82/16/973838216.db2.gz XVHIESIWYPJOQF-ZYHUDNBSSA-N 0 0 238.287 2.462 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(Nc2cnoc2)c1 ZINC001216480801 971093324 /nfs/dbraw/zinc/09/33/24/971093324.db2.gz AZUMXCALGHFAKY-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN C[Si](C)(C)CCO[C@H](C[N+](=O)[O-])C1CC1 ZINC001224907697 974069327 /nfs/dbraw/zinc/06/93/27/974069327.db2.gz UPKLQHFCVVANSR-SNVBAGLBSA-N 0 0 231.368 2.397 20 5 BEBDRN Nc1ccc(-c2nnc(C3CC3)o2)cc1[N+](=O)[O-] ZINC001257635954 971455094 /nfs/dbraw/zinc/45/50/94/971455094.db2.gz SAZLQQAYMIMGBQ-UHFFFAOYSA-N 0 0 246.226 2.104 20 5 BEBDRN O=[N+]([O-])c1cccc(OC2CC(O)C2)c1Cl ZINC001218256612 971653809 /nfs/dbraw/zinc/65/38/09/971653809.db2.gz JTKFCABDCSLIJM-UHFFFAOYSA-N 0 0 243.646 2.150 20 5 BEBDRN Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CCOC1 ZINC001229199051 1169651617 /nfs/dbraw/zinc/65/16/17/1169651617.db2.gz RDKMJXNQOIAHKT-SECBINFHSA-N 0 0 241.218 2.210 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1O[C@H]1C[C@H](O)C1 ZINC001218360571 971736429 /nfs/dbraw/zinc/73/64/29/971736429.db2.gz KEHBYEXHAMPYGG-ZKCHVHJHSA-N 0 0 243.646 2.150 20 5 BEBDRN COC[C@H](C)Oc1c(C)cc(F)cc1[N+](=O)[O-] ZINC001229199775 1169652009 /nfs/dbraw/zinc/65/20/09/1169652009.db2.gz YYGKAHWMZXIFIF-QMMMGPOBSA-N 0 0 243.234 2.456 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2C[C@H](O)C2)cc1Cl ZINC001218360960 971737251 /nfs/dbraw/zinc/73/72/51/971737251.db2.gz DMKPQKSHFNVBGU-FKQCQYRASA-N 0 0 243.646 2.150 20 5 BEBDRN CCCC=Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC001170764482 971752124 /nfs/dbraw/zinc/75/21/24/971752124.db2.gz XCFGTCJWIRCGPX-ONEGZZNKSA-N 0 0 228.639 2.374 20 5 BEBDRN CCC=CNc1ncc([N+](=O)[O-])cc1NC ZINC001170766383 971760757 /nfs/dbraw/zinc/76/07/57/971760757.db2.gz HKXAHOJJAGWSAP-SNAWJCMRSA-N 0 0 222.248 2.367 20 5 BEBDRN CCCC=Nc1nc(C)c([N+](=O)[O-])c(OC)n1 ZINC001170767068 971764707 /nfs/dbraw/zinc/76/47/07/971764707.db2.gz NQPCBYOPMQXCPE-AATRIKPKSA-N 0 0 238.247 2.037 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1C[C@@H](O)C1 ZINC001218417209 971792112 /nfs/dbraw/zinc/79/21/12/971792112.db2.gz KOVUKYCUWWTUFM-PHIMTYICSA-N 0 0 237.255 2.114 20 5 BEBDRN Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1C[C@@H](O)C1 ZINC001218422886 971797039 /nfs/dbraw/zinc/79/70/39/971797039.db2.gz ZNJBZOMZRNPEMM-AOOOYVTPSA-N 0 0 237.255 2.114 20 5 BEBDRN CCCC=Nc1ncc(OC)cc1[N+](=O)[O-] ZINC001159667502 972010391 /nfs/dbraw/zinc/01/03/91/972010391.db2.gz AXPIWCHORJDPNX-SNAWJCMRSA-N 0 0 223.232 2.334 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)nc1NC1CSC1 ZINC000705251713 957001701 /nfs/dbraw/zinc/00/17/01/957001701.db2.gz IOTABSIXISDZDJ-UHFFFAOYSA-N 0 0 245.691 2.171 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C1CCCCC1 ZINC001346198069 957435296 /nfs/dbraw/zinc/43/52/96/957435296.db2.gz RBIBUDLSZRIASZ-JTQLQIEISA-N 0 0 229.276 2.165 20 5 BEBDRN CCn1cc(Nc2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC001209932666 957566358 /nfs/dbraw/zinc/56/63/58/957566358.db2.gz RMNFSVYPDXRVKE-UHFFFAOYSA-N 0 0 247.258 2.137 20 5 BEBDRN Cc1nocc1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209935184 957571348 /nfs/dbraw/zinc/57/13/48/957571348.db2.gz RAPGMOXHIUJKKV-UHFFFAOYSA-N 0 0 234.215 2.217 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2cncnc2)c1F ZINC001210378980 957734930 /nfs/dbraw/zinc/73/49/30/957734930.db2.gz SSCZXIVPZRJXKA-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1cncc(N)n1 ZINC001211286415 958137181 /nfs/dbraw/zinc/13/71/81/958137181.db2.gz TYTXOIHWNAWBBT-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(N[C@H]2CCCC23CC3)n1 ZINC000706744235 958178147 /nfs/dbraw/zinc/17/81/47/958178147.db2.gz HTDTVKFUGLRCJM-VIFPVBQESA-N 0 0 236.275 2.073 20 5 BEBDRN CC(C)(CCc1nnc(CC2CC2)o1)[N+](=O)[O-] ZINC001327039938 972372931 /nfs/dbraw/zinc/37/29/31/972372931.db2.gz SMZUYTJTXTWKDA-UHFFFAOYSA-N 0 0 239.275 2.010 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1OCCCO ZINC000051608812 958884155 /nfs/dbraw/zinc/88/41/55/958884155.db2.gz GFUWIMVJAKCPAL-UHFFFAOYSA-N 0 0 231.635 2.009 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC[C@@H](F)C2)cc1F ZINC000689858114 959344660 /nfs/dbraw/zinc/34/46/60/959344660.db2.gz HJOAUCYKZBMKCP-SECBINFHSA-N 0 0 242.225 2.278 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC[C@H](F)C2)cc1F ZINC000689858115 959347856 /nfs/dbraw/zinc/34/78/56/959347856.db2.gz HJOAUCYKZBMKCP-VIFPVBQESA-N 0 0 242.225 2.278 20 5 BEBDRN C[C@H](O[C@H]1C[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC001217917559 959757764 /nfs/dbraw/zinc/75/77/64/959757764.db2.gz ADAIUYBPJHNQCK-KPXOXKRLSA-N 0 0 237.255 2.196 20 5 BEBDRN CCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000309418462 959873749 /nfs/dbraw/zinc/87/37/49/959873749.db2.gz BDGJSTITIBZFTQ-UHFFFAOYSA-N 0 0 238.272 2.421 20 5 BEBDRN CC[C@@H](C)O[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001204619516 959889178 /nfs/dbraw/zinc/88/91/78/959889178.db2.gz AVXOLELLVKQAIX-MWLCHTKSSA-N 0 0 224.260 2.215 20 5 BEBDRN CC[C@@H](C)O[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001204619513 959891374 /nfs/dbraw/zinc/89/13/74/959891374.db2.gz AVXOLELLVKQAIX-KOLCDFICSA-N 0 0 224.260 2.215 20 5 BEBDRN CC[C@H](C)O[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001204622321 959913447 /nfs/dbraw/zinc/91/34/47/959913447.db2.gz LJXPLBUNFQIXHG-IUCAKERBSA-N 0 0 241.291 2.303 20 5 BEBDRN Cc1ccc(COC[C@H]2CCO2)cc1[N+](=O)[O-] ZINC001223223780 961104382 /nfs/dbraw/zinc/10/43/82/961104382.db2.gz FWAUNXMRVPWMNU-LLVKDONJSA-N 0 0 237.255 2.209 20 5 BEBDRN C[C@@H](OC[C@H]1CCO1)c1cccc([N+](=O)[O-])c1 ZINC001223428081 961305003 /nfs/dbraw/zinc/30/50/03/961305003.db2.gz BZNSDPYHWDOLLV-BXKDBHETSA-N 0 0 237.255 2.461 20 5 BEBDRN CCO[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001204944529 962119998 /nfs/dbraw/zinc/11/99/98/962119998.db2.gz AYRZHUOYGSIMLN-NSHDSACASA-N 0 0 207.229 2.099 20 5 BEBDRN C[C@H](C[N+](C)(C)C)Oc1ccccc1[S-] ZINC001225587618 962343823 /nfs/dbraw/zinc/34/38/23/962343823.db2.gz LCCMDTKPJONKBO-SNVBAGLBSA-O 0 0 226.365 2.449 20 5 BEBDRN Cc1cccc(O[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC001225633282 962458079 /nfs/dbraw/zinc/45/80/79/962458079.db2.gz RCDJUFDBWVLJQL-SNVBAGLBSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cccc(O[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC001225633281 962459167 /nfs/dbraw/zinc/45/91/67/962459167.db2.gz RCDJUFDBWVLJQL-JTQLQIEISA-N 0 0 237.255 2.461 20 5 BEBDRN C[C@@H]1COC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000688023027 962793797 /nfs/dbraw/zinc/79/37/97/962793797.db2.gz GVHHLBONFFYFAM-GMSGAONNSA-N 0 0 240.234 2.181 20 5 BEBDRN Cc1cnc(NC2CC(F)C2)c([N+](=O)[O-])c1 ZINC001154832734 962864527 /nfs/dbraw/zinc/86/45/27/962864527.db2.gz FLGJKOYHUYFHCO-UHFFFAOYSA-N 0 0 225.223 2.211 20 5 BEBDRN CC[C@@H](C)Nc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001167998087 963201103 /nfs/dbraw/zinc/20/11/03/963201103.db2.gz AIWBFROGNFHWKT-MRVPVSSYSA-N 0 0 234.259 2.453 20 5 BEBDRN COc1cc(NC2(C)CCC2)ncc1[N+](=O)[O-] ZINC001156069764 963246646 /nfs/dbraw/zinc/24/66/46/963246646.db2.gz UNSJFQXJHUGFTH-UHFFFAOYSA-N 0 0 237.259 2.353 20 5 BEBDRN CC[C@@H](C)Nc1cccc2ncc([N+](=O)[O-])n21 ZINC001168004183 963247087 /nfs/dbraw/zinc/24/70/87/963247087.db2.gz UJPOOEDAQOIZAF-MRVPVSSYSA-N 0 0 234.259 2.453 20 5 BEBDRN C[C@H]1CN(c2cccc([N+](=O)[O-])n2)C2(CC2)C1 ZINC001156412758 963336056 /nfs/dbraw/zinc/33/60/56/963336056.db2.gz VDITVPRXWGMZQM-SECBINFHSA-N 0 0 233.271 2.369 20 5 BEBDRN Cc1c(C)c(N2CC3CC(C3)C2)ncc1[N+](=O)[O-] ZINC001156892589 963484170 /nfs/dbraw/zinc/48/41/70/963484170.db2.gz LTYZGNWSDWBPLZ-UHFFFAOYSA-N 0 0 247.298 2.453 20 5 BEBDRN N=CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001157078439 963522836 /nfs/dbraw/zinc/52/28/36/963522836.db2.gz NXQRRFQPOASFDF-UHFFFAOYSA-N 0 0 216.200 2.162 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@H]2C[C@H](F)C2)c(F)c1 ZINC001157453144 963614922 /nfs/dbraw/zinc/61/49/22/963614922.db2.gz WHYOVWSZOWJXFC-LJGSYFOKSA-N 0 0 243.213 2.289 20 5 BEBDRN N#CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001157822440 963731111 /nfs/dbraw/zinc/73/11/11/963731111.db2.gz NTQJDLBBKMZRNK-UHFFFAOYSA-N 0 0 214.184 2.036 20 5 BEBDRN CCCNc1ncc(F)c(C)c1[N+](=O)[O-] ZINC001168130406 963810568 /nfs/dbraw/zinc/81/05/68/963810568.db2.gz CJBQJIJBKCYAAH-UHFFFAOYSA-N 0 0 213.212 2.259 20 5 BEBDRN CCCNc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001168132279 963821769 /nfs/dbraw/zinc/82/17/69/963821769.db2.gz MXTSPVKRVCQEPA-UHFFFAOYSA-N 0 0 232.243 2.360 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2C[C@H](F)C2)nc1 ZINC001168232746 964020896 /nfs/dbraw/zinc/02/08/96/964020896.db2.gz BQDQESKXJOPAIW-ZKCHVHJHSA-N 0 0 225.223 2.150 20 5 BEBDRN O=[N+]([O-])C[C@H](OCc1ccoc1)c1cccnc1 ZINC001223785237 964243660 /nfs/dbraw/zinc/24/36/60/964243660.db2.gz IXOKKOZHSMCISZ-LBPRGKRZSA-N 0 0 248.238 2.209 20 5 BEBDRN Nc1cc([N+](=O)[O-])cnc1NC1CC2(CCC2)C1 ZINC001161445876 964607996 /nfs/dbraw/zinc/60/79/96/964607996.db2.gz HTNQTDHQOSDANO-UHFFFAOYSA-N 0 0 248.286 2.317 20 5 BEBDRN COc1cc(NCC(C)C)cnc1[N+](=O)[O-] ZINC001161648274 964658831 /nfs/dbraw/zinc/65/88/31/964658831.db2.gz BSSWQFRRLXKLFC-UHFFFAOYSA-N 0 0 225.248 2.066 20 5 BEBDRN CC(C)(C)CCNc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001161676241 964679613 /nfs/dbraw/zinc/67/96/13/964679613.db2.gz WGSNHPKFIPYUSK-UHFFFAOYSA-N 0 0 239.275 2.076 20 5 BEBDRN CCCCNc1nccc(OC)c1[N+](=O)[O-] ZINC001162201601 964865970 /nfs/dbraw/zinc/86/59/70/964865970.db2.gz YZJQBMZZVHNXMX-UHFFFAOYSA-N 0 0 225.248 2.210 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CC=CC1 ZINC001163460018 965412057 /nfs/dbraw/zinc/41/20/57/965412057.db2.gz ZMCWHNHPRSLRMA-UHFFFAOYSA-N 0 0 225.635 2.019 20 5 BEBDRN CN(C)c1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001163566919 965450602 /nfs/dbraw/zinc/45/06/02/965450602.db2.gz HVFPNRNIFOXKTJ-UHFFFAOYSA-N 0 0 236.058 2.363 20 5 BEBDRN CCN(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC001163579726 965459993 /nfs/dbraw/zinc/45/99/93/965459993.db2.gz RECGPEQPKFRHLW-UHFFFAOYSA-N 0 0 215.640 2.099 20 5 BEBDRN CN(c1cc([N+](=O)[O-])ccn1)C1CC(F)(F)C1 ZINC001163764275 965569050 /nfs/dbraw/zinc/56/90/50/965569050.db2.gz XWCWRYCTTXNMJP-UHFFFAOYSA-N 0 0 243.213 2.224 20 5 BEBDRN CCC(=O)[C@@H](CC)Oc1ccnc([N+](=O)[O-])c1 ZINC001233857160 965592118 /nfs/dbraw/zinc/59/21/18/965592118.db2.gz KCTLEOJHYQYJOP-SNVBAGLBSA-N 0 0 238.243 2.126 20 5 BEBDRN CC(C)CCO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001205084775 965617807 /nfs/dbraw/zinc/61/78/07/965617807.db2.gz CIALCBPQKCFTJQ-GFCCVEGCSA-N 0 0 238.287 2.462 20 5 BEBDRN Cc1nc(N2CCC23CCCC3)ncc1[N+](=O)[O-] ZINC001165279888 966025241 /nfs/dbraw/zinc/02/52/41/966025241.db2.gz HTHCZHXCRBZRRZ-UHFFFAOYSA-N 0 0 248.286 2.216 20 5 BEBDRN CCCCSCC(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001123255137 966092267 /nfs/dbraw/zinc/09/22/67/966092267.db2.gz IUPCJIDPJBMAHV-SECBINFHSA-N 0 0 249.332 2.118 20 5 BEBDRN Cc1c(F)cc([N+](=O)[O-])cc1N[C@@H](C)CCO ZINC001165965684 966217785 /nfs/dbraw/zinc/21/77/85/966217785.db2.gz DZNZBSISIIVGNX-ZETCQYMHSA-N 0 0 242.250 2.225 20 5 BEBDRN Nc1nc(NC(C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000094261463 966464584 /nfs/dbraw/zinc/46/45/84/966464584.db2.gz COCPBYKSULZUSC-UHFFFAOYSA-N 0 0 248.286 2.173 20 5 BEBDRN COc1ccnc(Nc2ccc([N+](=O)[O-])nc2)c1 ZINC001203559934 966689843 /nfs/dbraw/zinc/68/98/43/966689843.db2.gz ARRYXPACPBHDNY-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cncc(F)c2)cn1 ZINC001203561454 966691216 /nfs/dbraw/zinc/69/12/16/966691216.db2.gz XKZRIHXALHVCDR-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2ncco2)c1 ZINC001204406949 966993319 /nfs/dbraw/zinc/99/33/19/966993319.db2.gz JKLPGZKLYSKJRG-UHFFFAOYSA-N 0 0 205.173 2.326 20 5 BEBDRN COCn1cc(Nc2cccc([N+](=O)[O-])c2)cn1 ZINC001204439699 966995462 /nfs/dbraw/zinc/99/54/62/966995462.db2.gz JINQPDJVCPETHT-UHFFFAOYSA-N 0 0 248.242 2.139 20 5 BEBDRN Cc1ncc(Nc2cccc([N+](=O)[O-])c2)cn1 ZINC001204414851 966997673 /nfs/dbraw/zinc/99/76/73/966997673.db2.gz DAQCLDQUUGYILW-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN CC(C)(C)c1cnc(NC#N)c([N+](=O)[O-])c1 ZINC001168627162 967125010 /nfs/dbraw/zinc/12/50/10/967125010.db2.gz XITCCDYGOMLKCO-UHFFFAOYSA-N 0 0 220.232 2.180 20 5 BEBDRN O=[N+]([O-])c1ccc2ccc(N3CCC3)nc2c1 ZINC001163534463 968051112 /nfs/dbraw/zinc/05/11/12/968051112.db2.gz XDXQMVLLEFROSQ-UHFFFAOYSA-N 0 0 229.239 2.353 20 5 BEBDRN Cc1cc(Cl)c([N+](=O)[O-])c(N(C)C)n1 ZINC001163569313 968062368 /nfs/dbraw/zinc/06/23/68/968062368.db2.gz OSQAXMMIFQGWTQ-UHFFFAOYSA-N 0 0 215.640 2.018 20 5 BEBDRN CN(C)c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001163569719 968062718 /nfs/dbraw/zinc/06/27/18/968062718.db2.gz WXUWXZKAPXIRIQ-UHFFFAOYSA-N 0 0 217.228 2.209 20 5 BEBDRN CC(C)N(C)c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001163619629 968084582 /nfs/dbraw/zinc/08/45/82/968084582.db2.gz YLVYSWCWYULREC-UHFFFAOYSA-N 0 0 229.667 2.488 20 5 BEBDRN Cc1ncc(Nc2ccccc2[N+](=O)[O-])cn1 ZINC001206144719 968087675 /nfs/dbraw/zinc/08/76/75/968087675.db2.gz QCMUFIMGRKSYFQ-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN O=c1[nH]cccc1Nc1ccccc1[N+](=O)[O-] ZINC001206144400 968088849 /nfs/dbraw/zinc/08/88/49/968088849.db2.gz KKSKLXCUGUITMV-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN O=[N+]([O-])c1cc(N2CCCCO2)nc2[nH]ccc21 ZINC001163931483 968139779 /nfs/dbraw/zinc/13/97/79/968139779.db2.gz MLYZECMDOAPDOM-UHFFFAOYSA-N 0 0 248.242 2.003 20 5 BEBDRN Cc1ccc2[nH]c(-c3[nH]cnc3[N+](=O)[O-])nc2c1 ZINC001251165612 968272439 /nfs/dbraw/zinc/27/24/39/968272439.db2.gz OWISZWVFFCKPNK-UHFFFAOYSA-N 0 0 243.226 2.170 20 5 BEBDRN C[C@@H]1COC[C@@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000829434695 968831970 /nfs/dbraw/zinc/83/19/70/968831970.db2.gz YVJARFGNXBYUOR-XCBNKYQSSA-N 0 0 240.234 2.181 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC(F)(F)C2)c(F)c1 ZINC001207861864 968909999 /nfs/dbraw/zinc/90/99/99/968909999.db2.gz JTUNTEDAXXOGRF-UHFFFAOYSA-N 0 0 246.188 2.185 20 5 BEBDRN Cc1nnc(Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC001253364150 969137354 /nfs/dbraw/zinc/13/73/54/969137354.db2.gz ZFKVYMGLVLFINX-UHFFFAOYSA-N 0 0 237.190 2.016 20 5 BEBDRN Cc1nnc(Cc2cc([N+](=O)[O-])ccc2F)o1 ZINC001253402193 969155711 /nfs/dbraw/zinc/15/57/11/969155711.db2.gz QAYMGVXHKARQFS-UHFFFAOYSA-N 0 0 237.190 2.016 20 5 BEBDRN Cc1nnc(Cc2cccc(C)c2[N+](=O)[O-])o1 ZINC001253420956 969168770 /nfs/dbraw/zinc/16/87/70/969168770.db2.gz GSHHLFFTFZAJFL-UHFFFAOYSA-N 0 0 233.227 2.185 20 5 BEBDRN Cc1nnc(-c2ccc(C)cc2[N+](=O)[O-])o1 ZINC001253463050 969183815 /nfs/dbraw/zinc/18/38/15/969183815.db2.gz GRFVVQVZCRTSDJ-UHFFFAOYSA-N 0 0 219.200 2.262 20 5 BEBDRN Cc1cnc(Nc2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC001209932816 969695215 /nfs/dbraw/zinc/69/52/15/969695215.db2.gz UPNDEBBORRZEEA-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN Nc1ccc(Nc2cncc(F)c2)cc1[N+](=O)[O-] ZINC001209932940 969695584 /nfs/dbraw/zinc/69/55/84/969695584.db2.gz VFDRHXYMJVCDKY-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN Nc1ccc(Nc2ncccc2O)cc1[N+](=O)[O-] ZINC001209932814 969698381 /nfs/dbraw/zinc/69/83/81/969698381.db2.gz UNPITJXDXKYFAL-UHFFFAOYSA-N 0 0 246.226 2.021 20 5 BEBDRN CO[C@@H](C)CNc1cc([N+](=O)[O-])cc(C)c1F ZINC001169778209 969842901 /nfs/dbraw/zinc/84/29/01/969842901.db2.gz NTLARONBUSPDBE-QMMMGPOBSA-N 0 0 242.250 2.489 20 5 BEBDRN CCc1nnc(-c2cc(OC)ccc2[N+](=O)[O-])o1 ZINC001255061054 969868714 /nfs/dbraw/zinc/86/87/14/969868714.db2.gz JPJVYTNJECQMDY-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN CCc1nnc(CCc2cccc([N+](=O)[O-])c2)o1 ZINC001255082456 969875000 /nfs/dbraw/zinc/87/50/00/969875000.db2.gz GFQOYAGXIQUTEB-UHFFFAOYSA-N 0 0 247.254 2.325 20 5 BEBDRN Cc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)nn1C ZINC001210392084 969882018 /nfs/dbraw/zinc/88/20/18/969882018.db2.gz ANWOXLVRRFSQEX-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2ncccc2O)ccc1O ZINC001210392432 969882700 /nfs/dbraw/zinc/88/27/00/969882700.db2.gz DEOXXWXWRBPGJW-UHFFFAOYSA-N 0 0 247.210 2.145 20 5 BEBDRN CCc1nnc(Cc2cccc(C)c2[N+](=O)[O-])o1 ZINC001255102957 969936475 /nfs/dbraw/zinc/93/64/75/969936475.db2.gz YZTVANPIMDWCKT-UHFFFAOYSA-N 0 0 247.254 2.439 20 5 BEBDRN CCc1nnc(-c2csc([N+](=O)[O-])c2)o1 ZINC001255113476 969941600 /nfs/dbraw/zinc/94/16/00/969941600.db2.gz CFUJVRQJMBCRJB-UHFFFAOYSA-N 0 0 225.229 2.269 20 5 BEBDRN CCCN(C)c1ccc([N+](=O)[O-])c(OCC)n1 ZINC001156877798 970020480 /nfs/dbraw/zinc/02/04/80/970020480.db2.gz LAEMKXFAKQCPQB-UHFFFAOYSA-N 0 0 239.275 2.235 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1cnccn1 ZINC001211284749 970217019 /nfs/dbraw/zinc/21/70/19/970217019.db2.gz LTKMOIAMTPBPMD-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN COCC(C)(C)Nc1ncc([N+](=O)[O-])cc1C ZINC000167457612 970250993 /nfs/dbraw/zinc/25/09/93/970250993.db2.gz SZOOHKBTLNVWGG-UHFFFAOYSA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1nonc1Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001213661608 970377334 /nfs/dbraw/zinc/37/73/34/970377334.db2.gz PVQVOTIFJHIBHQ-UHFFFAOYSA-N 0 0 234.215 2.338 20 5 BEBDRN CC[C@@H](C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401097195 970658758 /nfs/dbraw/zinc/65/87/58/970658758.db2.gz LTADMSSDLZPYHD-ZCFIWIBFSA-N 0 0 213.212 2.339 20 5 BEBDRN CC[C@H](C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401097193 970660978 /nfs/dbraw/zinc/66/09/78/970660978.db2.gz LTADMSSDLZPYHD-LURJTMIESA-N 0 0 213.212 2.339 20 5 BEBDRN C[C@H]1COC[C@@H]1OCc1ccccc1[N+](=O)[O-] ZINC001222762463 972686841 /nfs/dbraw/zinc/68/68/41/972686841.db2.gz LEOZGVUTDWWJFP-CABZTGNLSA-N 0 0 237.255 2.146 20 5 BEBDRN O=[N+]([O-])c1ccc(COC2CC3(COC3)C2)cc1 ZINC001222791243 972697210 /nfs/dbraw/zinc/69/72/10/972697210.db2.gz MJVXXUBJCQMSAV-UHFFFAOYSA-N 0 0 249.266 2.290 20 5 BEBDRN O=[N+]([O-])c1ccc2oc(COC3CC3)nc2c1 ZINC001222928377 972748586 /nfs/dbraw/zinc/74/85/86/972748586.db2.gz FMTSWYCKCNWTTO-UHFFFAOYSA-N 0 0 234.211 2.415 20 5 BEBDRN CO[C@H](C)COCc1c(C)cccc1[N+](=O)[O-] ZINC001223535237 973137003 /nfs/dbraw/zinc/13/70/03/973137003.db2.gz HYLIKDHMSHRTQG-SNVBAGLBSA-N 0 0 239.271 2.455 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1COC[C@H]1CCO1 ZINC001223534991 973137031 /nfs/dbraw/zinc/13/70/31/973137031.db2.gz CMMZSUFMLNBXNR-SNVBAGLBSA-N 0 0 237.255 2.209 20 5 BEBDRN C[C@@H](O[C@H](C[N+](=O)[O-])C1CC1)c1nccs1 ZINC001224008185 973399518 /nfs/dbraw/zinc/39/95/18/973399518.db2.gz UCQZGOFYKZRGSE-VXNVDRBHSA-N 0 0 242.300 2.276 20 5 BEBDRN O=[N+]([O-])c1ccc(COC2CC(F)(F)C2)cn1 ZINC001224108349 973451077 /nfs/dbraw/zinc/45/10/77/973451077.db2.gz GAEDWHSSNSEKCL-UHFFFAOYSA-N 0 0 244.197 2.304 20 5 BEBDRN CC[C@H](C)CO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001224665891 973839129 /nfs/dbraw/zinc/83/91/29/973839129.db2.gz XVHIESIWYPJOQF-JQWIXIFHSA-N 0 0 238.287 2.462 20 5 BEBDRN O=[N+]([O-])C[C@@H](OCCC1CC1)c1cccnc1 ZINC001224759100 973924676 /nfs/dbraw/zinc/92/46/76/973924676.db2.gz TYUXLCYPMVIGAX-GFCCVEGCSA-N 0 0 236.271 2.216 20 5 BEBDRN C[C@H](O)CCOc1cc([N+](=O)[O-])c(F)cc1F ZINC001330283164 974206334 /nfs/dbraw/zinc/20/63/34/974206334.db2.gz KFAUJYHDQFNQOW-LURJTMIESA-N 0 0 247.197 2.023 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1cncc(Cl)c1)C1CC1 ZINC001225289750 974361732 /nfs/dbraw/zinc/36/17/32/974361732.db2.gz ONOCRHJNNKYQKJ-SNVBAGLBSA-N 0 0 242.662 2.169 20 5 BEBDRN O=[N+]([O-])c1cc(O[C@H]2CCCOC2)ccc1F ZINC001225381785 974459010 /nfs/dbraw/zinc/45/90/10/974459010.db2.gz HQCCZTHZSOTKNP-VIFPVBQESA-N 0 0 241.218 2.292 20 5 BEBDRN COC[C@H](C)Oc1ccc([N+](=O)[O-])c(OC)c1 ZINC001225435635 974487817 /nfs/dbraw/zinc/48/78/17/974487817.db2.gz KRUZXEXADMQKDG-QMMMGPOBSA-N 0 0 241.243 2.017 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[C@@H](C)C1 ZINC001330860266 974506798 /nfs/dbraw/zinc/50/67/98/974506798.db2.gz FAVHGIAMIXJHAE-PSASIEDQSA-N 0 0 235.287 2.321 20 5 BEBDRN CCCOC[C@H](C)Oc1ncccc1[N+](=O)[O-] ZINC001225592367 974581478 /nfs/dbraw/zinc/58/14/78/974581478.db2.gz FZRUWXXDBXCHIF-VIFPVBQESA-N 0 0 240.259 2.184 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(OC2CC2)c([N+](=O)[O-])c1 ZINC001225601182 974587284 /nfs/dbraw/zinc/58/72/84/974587284.db2.gz MSTXHPZSGIZDEI-UHFFFAOYSA-N 0 0 238.199 2.353 20 5 BEBDRN O=[N+]([O-])c1ncccc1OC[C@H]1CCC=CO1 ZINC001225628885 974603921 /nfs/dbraw/zinc/60/39/21/974603921.db2.gz YCKRDZRVELCKEX-SECBINFHSA-N 0 0 236.227 2.061 20 5 BEBDRN O=[N+]([O-])c1ncccc1O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001225629174 974605875 /nfs/dbraw/zinc/60/58/75/974605875.db2.gz GBFXNTABSXLWRT-NGZCFLSTSA-N 0 0 232.239 2.333 20 5 BEBDRN CCO[C@@H](C)COc1cc(C)c([N+](=O)[O-])cn1 ZINC001225658854 974628927 /nfs/dbraw/zinc/62/89/27/974628927.db2.gz LVKBWNGEFBQXRX-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN O=c1cc[nH]c(OC2CCCCC2)c1[N+](=O)[O-] ZINC001225666387 974633983 /nfs/dbraw/zinc/63/39/83/974633983.db2.gz HSUIVLAJHVGMGM-UHFFFAOYSA-N 0 0 238.243 2.407 20 5 BEBDRN CCC[C@@H](C)Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225665509 974635908 /nfs/dbraw/zinc/63/59/08/974635908.db2.gz BEKOVSDXSMFZKN-SSDOTTSWSA-N 0 0 226.232 2.263 20 5 BEBDRN CCOC[C@@H](C)Oc1nccc(C)c1[N+](=O)[O-] ZINC001226118459 974799986 /nfs/dbraw/zinc/79/99/86/974799986.db2.gz LCPPIWRMFQIEGN-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1CCCC[C@@H]1F ZINC001331962607 974893051 /nfs/dbraw/zinc/89/30/51/974893051.db2.gz YZHHMUHCWOAVJX-DTWKUNHWSA-N 0 0 239.250 2.104 20 5 BEBDRN C[C@@H](Oc1cc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC001226428016 974895989 /nfs/dbraw/zinc/89/59/89/974895989.db2.gz GOYRSZBTLKMRQG-MRVPVSSYSA-N 0 0 233.227 2.458 20 5 BEBDRN COC[C@H](C)Oc1cc(OC)ccc1[N+](=O)[O-] ZINC001226443063 974899801 /nfs/dbraw/zinc/89/98/01/974899801.db2.gz MFUIQASHTURYNG-QMMMGPOBSA-N 0 0 241.243 2.017 20 5 BEBDRN CCCOC[C@@H](C)Oc1ccc([N+](=O)[O-])nc1 ZINC001226709123 975040150 /nfs/dbraw/zinc/04/01/50/975040150.db2.gz FFGAPMOEHJZHSF-SECBINFHSA-N 0 0 240.259 2.184 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2C=CCC2)cn1 ZINC001226712333 975044130 /nfs/dbraw/zinc/04/41/30/975044130.db2.gz LJRUXNUJZQYZIC-QMMMGPOBSA-N 0 0 206.201 2.087 20 5 BEBDRN C[C@@H](Oc1ncc([N+](=O)[O-])cn1)c1ccco1 ZINC001226735297 975051167 /nfs/dbraw/zinc/05/11/67/975051167.db2.gz PYAOUKCQYSLALB-SSDOTTSWSA-N 0 0 235.199 2.118 20 5 BEBDRN O=[N+]([O-])c1cnc(OC2CCCCC2)nc1 ZINC001226730809 975051692 /nfs/dbraw/zinc/05/16/92/975051692.db2.gz HQEFYSVIYDOSGN-UHFFFAOYSA-N 0 0 223.232 2.096 20 5 BEBDRN CCCC[C@@H](C)Oc1ncc([N+](=O)[O-])cn1 ZINC001226730371 975052015 /nfs/dbraw/zinc/05/20/15/975052015.db2.gz DUATUDUUXGDEGE-MRVPVSSYSA-N 0 0 225.248 2.342 20 5 BEBDRN C[C@H]1CCC[C@@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226734005 975052779 /nfs/dbraw/zinc/05/27/79/975052779.db2.gz VOLCYPXVHSPTHX-WCBMZHEXSA-N 0 0 237.259 2.342 20 5 BEBDRN CCOC[C@@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC001226763069 975064345 /nfs/dbraw/zinc/06/43/45/975064345.db2.gz IBFKGFAIXGBJCA-SECBINFHSA-N 0 0 225.244 2.399 20 5 BEBDRN O=[N+]([O-])c1cccc(O[C@@H]2CCOC[C@H]2F)c1 ZINC001226767185 975067513 /nfs/dbraw/zinc/06/75/13/975067513.db2.gz HPMSEXJBJINSNO-GHMZBOCLSA-N 0 0 241.218 2.101 20 5 BEBDRN O=[N+]([O-])c1cccc(O[C@H]2CCn3ccnc32)c1 ZINC001226766117 975068838 /nfs/dbraw/zinc/06/88/38/975068838.db2.gz ZDQHSLVRIXGYQV-NSHDSACASA-N 0 0 245.238 2.315 20 5 BEBDRN O=[N+]([O-])c1cccc(O[C@H]2CCOC[C@H]2F)c1 ZINC001226767187 975069438 /nfs/dbraw/zinc/06/94/38/975069438.db2.gz HPMSEXJBJINSNO-MNOVXSKESA-N 0 0 241.218 2.101 20 5 BEBDRN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC(F)C1 ZINC001173230640 975076129 /nfs/dbraw/zinc/07/61/29/975076129.db2.gz ZGKZXHJQHRRLBZ-VIFPVBQESA-N 0 0 238.262 2.180 20 5 BEBDRN C/C=C/C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332394617 975087566 /nfs/dbraw/zinc/08/75/66/975087566.db2.gz YUSVKGGXJZKQBY-NSCUHMNNSA-N 0 0 232.239 2.013 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1O[C@@H]1CCCOC1 ZINC001226992126 975208658 /nfs/dbraw/zinc/20/86/58/975208658.db2.gz IJJSZMCSGLKVQS-LLVKDONJSA-N 0 0 237.255 2.461 20 5 BEBDRN COC[C@H](C)Oc1ccc([N+](=O)[O-])cc1OC ZINC001227185282 975305679 /nfs/dbraw/zinc/30/56/79/975305679.db2.gz OEYQVZHVKFEQCZ-QMMMGPOBSA-N 0 0 241.243 2.017 20 5 BEBDRN CC[C@H](C)Oc1ccc(C)nc1[N+](=O)[O-] ZINC001227217762 975315272 /nfs/dbraw/zinc/31/52/72/975315272.db2.gz CWZBHOSQDHTNPJ-QMMMGPOBSA-N 0 0 210.233 2.476 20 5 BEBDRN Cc1cc(C)nc(O[C@@H](C[N+](=O)[O-])C2CC2)c1 ZINC001227248332 975329756 /nfs/dbraw/zinc/32/97/56/975329756.db2.gz VCYQMRCGHKQZIT-NSHDSACASA-N 0 0 236.271 2.133 20 5 BEBDRN Cc1cc(O)cc(O[C@H](C[N+](=O)[O-])C2CC2)c1 ZINC001227472058 975456280 /nfs/dbraw/zinc/45/62/80/975456280.db2.gz NQIBUGXKQVHFIZ-GFCCVEGCSA-N 0 0 237.255 2.135 20 5 BEBDRN CO[C@@H](C)CCOc1ccccc1[N+](=O)[O-] ZINC001227479725 975460025 /nfs/dbraw/zinc/46/00/25/975460025.db2.gz JBQHUNUHUUGHEG-VIFPVBQESA-N 0 0 225.244 2.399 20 5 BEBDRN O=[N+]([O-])c1ccccc1O[C@@H]1CCOC[C@H]1F ZINC001227484835 975466745 /nfs/dbraw/zinc/46/67/45/975466745.db2.gz ZNGWWESCILXZFH-PSASIEDQSA-N 0 0 241.218 2.101 20 5 BEBDRN O=[N+]([O-])c1ccccc1O[C@@H]1CCOC[C@@H]1F ZINC001227484837 975471291 /nfs/dbraw/zinc/47/12/91/975471291.db2.gz ZNGWWESCILXZFH-WCBMZHEXSA-N 0 0 241.218 2.101 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2CCOC[C@H]2F)cc1 ZINC001227523462 975500468 /nfs/dbraw/zinc/50/04/68/975500468.db2.gz JZZJMHLNSUWWFR-GHMZBOCLSA-N 0 0 241.218 2.101 20 5 BEBDRN CC1=C(Oc2ccc([N+](=O)[O-])cc2)C(=O)O[C@H]1C ZINC001227522914 975500576 /nfs/dbraw/zinc/50/05/76/975500576.db2.gz AQTYAIHTSJYHSR-QMMMGPOBSA-N 0 0 249.222 2.193 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2CCCOC2)cc1 ZINC001227521604 975503706 /nfs/dbraw/zinc/50/37/06/975503706.db2.gz SSLYATYSKGVFIZ-LLVKDONJSA-N 0 0 223.228 2.153 20 5 BEBDRN O=[N+]([O-])c1cncc(O[C@H]2C=CCCC2)c1 ZINC001227988173 975833509 /nfs/dbraw/zinc/83/35/09/975833509.db2.gz QANXUQUAUUICFG-JTQLQIEISA-N 0 0 220.228 2.477 20 5 BEBDRN O=[N+]([O-])c1cncc(OC[C@H]2CCC=CO2)c1 ZINC001227988612 975834458 /nfs/dbraw/zinc/83/44/58/975834458.db2.gz UIYYKPRVAAHEBJ-SNVBAGLBSA-N 0 0 236.227 2.061 20 5 BEBDRN Cc1cc(C)c(O[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001228230103 976007319 /nfs/dbraw/zinc/00/73/19/976007319.db2.gz MHISFCFBPDXRER-SNVBAGLBSA-N 0 0 237.255 2.379 20 5 BEBDRN C[C@H](Oc1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC001228314249 976100229 /nfs/dbraw/zinc/10/02/29/976100229.db2.gz FWAOSVLBUNUJBU-VIFPVBQESA-N 0 0 247.254 2.468 20 5 BEBDRN C[C@H]1CC[C@H](Oc2ncncc2[N+](=O)[O-])CC1 ZINC001228655313 976407869 /nfs/dbraw/zinc/40/78/69/976407869.db2.gz QVAIRYNMZJHUCN-KYZUINATSA-N 0 0 237.259 2.342 20 5 BEBDRN C[C@H]1CC[C@@H](Oc2ncncc2[N+](=O)[O-])CC1 ZINC001228655312 976412381 /nfs/dbraw/zinc/41/23/81/976412381.db2.gz QVAIRYNMZJHUCN-DTORHVGOSA-N 0 0 237.259 2.342 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2COC2)cc1Cl ZINC001228757906 976484748 /nfs/dbraw/zinc/48/47/48/976484748.db2.gz YMBGHPJWUXMMRU-UHFFFAOYSA-N 0 0 229.619 2.026 20 5 BEBDRN Cc1cc(O[C@@H]2CCOC2)cc([N+](=O)[O-])c1 ZINC001228832794 976508088 /nfs/dbraw/zinc/50/80/88/976508088.db2.gz CTEXOGFTSOBTAV-SNVBAGLBSA-N 0 0 223.228 2.071 20 5 BEBDRN Cc1cc(O[C@@H]2COC[C@H]2F)cc([N+](=O)[O-])c1 ZINC001228834046 976512026 /nfs/dbraw/zinc/51/20/26/976512026.db2.gz ZFYIHLPOEJBYRL-GHMZBOCLSA-N 0 0 241.218 2.019 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1O[C@H]1CCCOC1 ZINC001228916102 976577325 /nfs/dbraw/zinc/57/73/25/976577325.db2.gz PEIRQRKZBWQWLM-NSHDSACASA-N 0 0 237.255 2.461 20 5 BEBDRN COc1cc(Nc2ccc([N+](=O)[O-])cc2)no1 ZINC001174476024 976792574 /nfs/dbraw/zinc/79/25/74/976792574.db2.gz XWXZVURHYBXUHT-UHFFFAOYSA-N 0 0 235.199 2.335 20 5 BEBDRN Cc1ncc(Nc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1 ZINC001174477658 976798130 /nfs/dbraw/zinc/79/81/30/976798130.db2.gz SVQTYIAAQSRGGC-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN O=[N+]([O-])c1ccc(O)c(O[C@H]2C=CCC2)c1 ZINC001229396449 976858831 /nfs/dbraw/zinc/85/88/31/976858831.db2.gz UJMNLBJEBHRXPE-VIFPVBQESA-N 0 0 221.212 2.398 20 5 BEBDRN O=[N+]([O-])CCN[C@@H](c1ccccc1)C(F)(F)F ZINC001335395922 977022142 /nfs/dbraw/zinc/02/21/42/977022142.db2.gz YDCAHUYYTWBOPK-VIFPVBQESA-N 0 0 248.204 2.156 20 5 BEBDRN CC[C@H](C)Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230230703 977137555 /nfs/dbraw/zinc/13/75/55/977137555.db2.gz ZZZBJFNPDRMAQU-LURJTMIESA-N 0 0 236.231 2.043 20 5 BEBDRN O=[N+]([O-])c1cc2c[nH]nc2cc1OC1CCC1 ZINC001230595781 977266897 /nfs/dbraw/zinc/26/68/97/977266897.db2.gz NGVCARHGEXHEDN-UHFFFAOYSA-N 0 0 233.227 2.402 20 5 BEBDRN O=[N+]([O-])c1ccc(F)c(Nc2cccnn2)c1 ZINC001175735053 977671610 /nfs/dbraw/zinc/67/16/10/977671610.db2.gz REPSZLHQPROBIX-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN CC[C@@H](F)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001336488966 977716520 /nfs/dbraw/zinc/71/65/20/977716520.db2.gz GBMCMNJWBXNKSQ-SNVBAGLBSA-N 0 0 241.218 2.386 20 5 BEBDRN CC[C@H](F)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC001336488940 977717195 /nfs/dbraw/zinc/71/71/95/977717195.db2.gz GBMCMNJWBXNKSQ-JTQLQIEISA-N 0 0 241.218 2.386 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1F ZINC001336527969 977752418 /nfs/dbraw/zinc/75/24/18/977752418.db2.gz UKTHLOMEZTXNEY-IUCAKERBSA-N 0 0 238.218 2.200 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)Cc2cn[nH]c2)c1 ZINC001336727596 977885123 /nfs/dbraw/zinc/88/51/23/977885123.db2.gz VFIXEYVRFSBZLC-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCCC1CSC1 ZINC001336805820 977971963 /nfs/dbraw/zinc/97/19/63/977971963.db2.gz IYCLVGFAQFORKZ-UHFFFAOYSA-N 0 0 239.300 2.155 20 5 BEBDRN COc1ccc(Nc2ccon2)cc1[N+](=O)[O-] ZINC001176359514 978048748 /nfs/dbraw/zinc/04/87/48/978048748.db2.gz IGJCVDXJLBRCIX-UHFFFAOYSA-N 0 0 235.199 2.335 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1N1CC(F)(F)C1 ZINC001336991643 978115112 /nfs/dbraw/zinc/11/51/12/978115112.db2.gz ORMWORYXWHYHEK-UHFFFAOYSA-N 0 0 232.161 2.189 20 5 BEBDRN Cc1cc(N[C@@H]2C[C@@H]3CC[C@H]2O3)ncc1[N+](=O)[O-] ZINC001337004328 978121512 /nfs/dbraw/zinc/12/15/12/978121512.db2.gz MNNGXWPDQGBDOY-IQJOONFLSA-N 0 0 249.270 2.030 20 5 BEBDRN C[C@H]1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337130019 978177774 /nfs/dbraw/zinc/17/77/74/978177774.db2.gz ALWBNJBBHKCBTL-JGVFFNPUSA-N 0 0 236.275 2.173 20 5 BEBDRN Nc1cc(NC[C@]23C[C@H]2CCC3)ncc1[N+](=O)[O-] ZINC001337277981 978261252 /nfs/dbraw/zinc/26/12/52/978261252.db2.gz FDSYZRNXGZPWDF-PELKAZGASA-N 0 0 248.286 2.174 20 5 BEBDRN C[C@H](Nc1cc(N)c([N+](=O)[O-])cn1)C1(C)CC1 ZINC001338012942 978587906 /nfs/dbraw/zinc/58/79/06/978587906.db2.gz HENKVODOTBPHQC-ZETCQYMHSA-N 0 0 236.275 2.173 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001338303154 978657487 /nfs/dbraw/zinc/65/74/87/978657487.db2.gz VZWLPONOXGTXQO-HBNTYKKESA-N 0 0 249.270 2.030 20 5 BEBDRN CCCOC[C@@H](C)Oc1ccnc([N+](=O)[O-])c1 ZINC001233858103 978715452 /nfs/dbraw/zinc/71/54/52/978715452.db2.gz SNMWNQZUGHKEGY-SECBINFHSA-N 0 0 240.259 2.184 20 5 BEBDRN O=[N+]([O-])c1cc(O[C@H]2C=CCCC2)ccn1 ZINC001233857617 978715618 /nfs/dbraw/zinc/71/56/18/978715618.db2.gz NCWNBTRSECHRGC-VIFPVBQESA-N 0 0 220.228 2.477 20 5 BEBDRN Cc1cc(F)c(OC[C@H]2CCO2)cc1[N+](=O)[O-] ZINC001234057240 978764873 /nfs/dbraw/zinc/76/48/73/978764873.db2.gz RUDRQQBFQRVSSY-MRVPVSSYSA-N 0 0 241.218 2.210 20 5 BEBDRN CC[C@H](COc1c(C)nccc1[N+](=O)[O-])OC ZINC001234904361 978928466 /nfs/dbraw/zinc/92/84/66/978928466.db2.gz CITQSTIMMKKAID-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN CC[C@@H](COc1c(C)nccc1[N+](=O)[O-])OC ZINC001234904362 978930072 /nfs/dbraw/zinc/93/00/72/978930072.db2.gz CITQSTIMMKKAID-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN CCO[C@H](C)COc1c(C)nccc1[N+](=O)[O-] ZINC001234905053 978930241 /nfs/dbraw/zinc/93/02/41/978930241.db2.gz LWTPJTDBSCCLAE-MRVPVSSYSA-N 0 0 240.259 2.102 20 5 BEBDRN C[C@@H]1CC[C@@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC001341883374 979587204 /nfs/dbraw/zinc/58/72/04/979587204.db2.gz TUKFYIWIKLZFMZ-BDAKNGLRSA-N 0 0 246.270 2.453 20 5 BEBDRN Cc1nc(Nc2ccc([N+](=O)[O-])nc2)cs1 ZINC001203569310 979834343 /nfs/dbraw/zinc/83/43/43/979834343.db2.gz AKVZACRSKBLJPO-UHFFFAOYSA-N 0 0 236.256 2.498 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cscn2)cn1 ZINC001203569118 979835584 /nfs/dbraw/zinc/83/55/84/979835584.db2.gz SDXNHFKDCBDBLY-UHFFFAOYSA-N 0 0 222.229 2.190 20 5 BEBDRN CN(Cc1ccon1)c1ccsc1[N+](=O)[O-] ZINC001185460575 980228864 /nfs/dbraw/zinc/22/88/64/980228864.db2.gz MFSNZRXOAQHLSE-UHFFFAOYSA-N 0 0 239.256 2.281 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C(C)(C)C1CCC1 ZINC001344403448 980387294 /nfs/dbraw/zinc/38/72/94/980387294.db2.gz OPDJOIROVJVVFK-SNVBAGLBSA-N 0 0 243.303 2.411 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])[C@@H]1CCC=CCCC1 ZINC001344468992 980402344 /nfs/dbraw/zinc/40/23/44/980402344.db2.gz JUDVZTXCWOTRGH-LLVKDONJSA-N 0 0 241.287 2.333 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@H]3CCCC[C@H]32)cn1 ZINC001186931820 980456747 /nfs/dbraw/zinc/45/67/47/980456747.db2.gz YECHIZAJJUEIDA-MWLCHTKSSA-N 0 0 233.271 2.369 20 5 BEBDRN O=[N+]([O-])c1ncccc1Oc1cncc(F)c1 ZINC001187931552 980572068 /nfs/dbraw/zinc/57/20/68/980572068.db2.gz JOQZFMUNDRAJNC-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN CCC[C@H](C)CC(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001345695799 980673104 /nfs/dbraw/zinc/67/31/04/980673104.db2.gz XSIWSHVDEWQVCD-UWVGGRQHSA-N 0 0 231.292 2.411 20 5 BEBDRN O=C(COc1ccsc1[N+](=O)[O-])C1CCC1 ZINC001189369841 980777078 /nfs/dbraw/zinc/77/70/78/980777078.db2.gz HXRMAVXCSSXQIL-UHFFFAOYSA-N 0 0 241.268 2.404 20 5 BEBDRN CCCC(C)(C)C(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001346197411 980781820 /nfs/dbraw/zinc/78/18/20/980781820.db2.gz KWHSXAVIVQHYLG-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C(F)=C1CCCC1 ZINC001347430913 981077212 /nfs/dbraw/zinc/07/72/12/981077212.db2.gz RQVVQZNGZJLYFG-VIFPVBQESA-N 0 0 245.250 2.383 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1CCC[C@@H](CF)C1 ZINC001349775109 981727966 /nfs/dbraw/zinc/72/79/66/981727966.db2.gz WELQOKGMDMYUKU-VIFPVBQESA-N 0 0 239.250 2.176 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C[C@@H](C)C1CC1 ZINC001349805195 981750377 /nfs/dbraw/zinc/75/03/77/981750377.db2.gz GEEMIHRLHGFBCR-SCZZXKLOSA-N 0 0 229.276 2.021 20 5 BEBDRN COC(C)(C)CNc1cc([N+](=O)[O-])c(C)cn1 ZINC000160623314 982675334 /nfs/dbraw/zinc/67/53/34/982675334.db2.gz VIFYZZBITSBSRV-UHFFFAOYSA-N 0 0 239.275 2.135 20 5 BEBDRN C=CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001353215412 982779078 /nfs/dbraw/zinc/77/90/78/982779078.db2.gz VTDHZENPQJMVIO-VIFPVBQESA-N 0 0 234.255 2.266 20 5 BEBDRN O=c1cc(Nc2cc(O)cc([N+](=O)[O-])c2)cc[nH]1 ZINC001199802547 983020649 /nfs/dbraw/zinc/02/06/49/983020649.db2.gz UQWHAAIVUIERLI-UHFFFAOYSA-N 0 0 247.210 2.145 20 5 BEBDRN O=[N+]([O-])c1cccc([S@](=O)CC2CC2)c1 ZINC001353972907 983101852 /nfs/dbraw/zinc/10/18/52/983101852.db2.gz ORDXMHPLYZKOPK-OAHLLOKOSA-N 0 0 225.269 2.112 20 5 BEBDRN Cc1c(NC(=O)[C@@H]2C[C@H]2F)cccc1[N+](=O)[O-] ZINC001354119661 983163024 /nfs/dbraw/zinc/16/30/24/983163024.db2.gz CWUWDCAVUGVICV-HTQZYQBOSA-N 0 0 238.218 2.200 20 5 BEBDRN C=C/C=C/CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC001438977283 984376332 /nfs/dbraw/zinc/37/63/32/984376332.db2.gz XAQASECSUYHCJM-ONEGZZNKSA-N 0 0 236.227 2.050 20 5 BEBDRN O=C(NC/C=C\Cl)c1cccc([N+](=O)[O-])c1 ZINC001439927850 984396742 /nfs/dbraw/zinc/39/67/42/984396742.db2.gz WCSLBCHLVCTDTB-DJWKRKHSSA-N 0 0 240.646 2.077 20 5 BEBDRN O=[N+]([O-])c1cnc(-n2ccnc2)c2ccccc21 ZINC001458071657 985261655 /nfs/dbraw/zinc/26/16/55/985261655.db2.gz QADQSDOGQVUMJZ-UHFFFAOYSA-N 0 0 240.222 2.329 20 5 BEBDRN CN(Cc1c[nH]cn1)c1ccsc1[N+](=O)[O-] ZINC001458482414 985318997 /nfs/dbraw/zinc/31/89/97/985318997.db2.gz RTZHQVVIMBFGRY-UHFFFAOYSA-N 0 0 238.272 2.016 20 5 BEBDRN C[C@@H]1COC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000688004586 985496783 /nfs/dbraw/zinc/49/67/83/985496783.db2.gz IFTBFYZJTJIEFU-PSASIEDQSA-N 0 0 222.244 2.042 20 5 BEBDRN CCC[C@@H](C)CC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001471842442 987132296 /nfs/dbraw/zinc/13/22/96/987132296.db2.gz ZEJQHCSZMCCTOO-SSDOTTSWSA-N 0 0 240.263 2.083 20 5 BEBDRN C[C@H]1C[C@@H]1c1nnc(-c2ccc([N+](=O)[O-])cn2)o1 ZINC001256710278 987267982 /nfs/dbraw/zinc/26/79/82/987267982.db2.gz SWBOCGLXSVQVAU-XPUUQOCRSA-N 0 0 246.226 2.163 20 5 BEBDRN C[C@@H]1C[C@H]1c1nnc(-c2cccc([N+](=O)[O-])n2)o1 ZINC001256718017 987275550 /nfs/dbraw/zinc/27/55/50/987275550.db2.gz OAWWEOGLJSPDJE-RNFRBKRXSA-N 0 0 246.226 2.163 20 5 BEBDRN C[C@H]1CC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000695468473 987333479 /nfs/dbraw/zinc/33/34/79/987333479.db2.gz NKVKWRQUYYMCEQ-JGVFFNPUSA-N 0 0 237.259 2.296 20 5 BEBDRN CC(C)c1nnc(-c2cc([N+](=O)[O-])cn2C)o1 ZINC001322341273 988214788 /nfs/dbraw/zinc/21/47/88/988214788.db2.gz GSBKCUSEYMZKRQ-UHFFFAOYSA-N 0 0 236.231 2.107 20 5 BEBDRN CC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001322985838 988422385 /nfs/dbraw/zinc/42/23/85/988422385.db2.gz ILFVQQXVCOSNCC-UHFFFAOYSA-N 0 0 235.243 2.269 20 5 BEBDRN CCC(F)(F)CNc1c(C)cncc1[N+](=O)[O-] ZINC001118868469 988660652 /nfs/dbraw/zinc/66/06/52/988660652.db2.gz KENGTFBDQNCGGH-UHFFFAOYSA-N 0 0 245.229 2.177 20 5 BEBDRN Nc1cc(NCC2CCCC2)ncc1[N+](=O)[O-] ZINC001548507290 988674353 /nfs/dbraw/zinc/67/43/53/988674353.db2.gz OCWBZBBNQZZPAH-UHFFFAOYSA-N 0 0 236.275 2.174 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC/C=C\C1CC1 ZINC001324258874 988769829 /nfs/dbraw/zinc/76/98/29/988769829.db2.gz SANYEEZLGBZEFV-IHWYPQMZSA-N 0 0 233.271 2.098 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]1C ZINC001324297710 988784371 /nfs/dbraw/zinc/78/43/71/988784371.db2.gz OWQNJUCYICHPTR-WPRPVWTQSA-N 0 0 235.287 2.321 20 5 BEBDRN Nc1cc(NC[C@@H]2C[C@H]2C2CC2)ncc1[N+](=O)[O-] ZINC001548517881 988862834 /nfs/dbraw/zinc/86/28/34/988862834.db2.gz OAUWPPQBESZRFC-IUCAKERBSA-N 0 0 248.286 2.030 20 5 BEBDRN Cc1cc(C)cc(-c2noc(CC[N+](=O)[O-])n2)c1 ZINC001247521346 988926181 /nfs/dbraw/zinc/92/61/81/988926181.db2.gz OHFNCNYEPOBBQJ-UHFFFAOYSA-N 0 0 247.254 2.173 20 5 BEBDRN Cc1coc(Nc2cc([N+](=O)[O-])cnc2C)n1 ZINC001248747057 989139390 /nfs/dbraw/zinc/13/93/90/989139390.db2.gz SMXDCTNBMBVCMT-UHFFFAOYSA-N 0 0 234.215 2.338 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@]12C[C@H]1CCCC2 ZINC001517179330 989207076 /nfs/dbraw/zinc/20/70/76/989207076.db2.gz MIPMEAKPOHUNJM-CKYFFXLPSA-N 0 0 241.287 2.165 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001517180560 989208508 /nfs/dbraw/zinc/20/85/08/989208508.db2.gz WLPQLPONGFHYFF-AXFHLTTASA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC12CCCC2 ZINC001517192514 989208964 /nfs/dbraw/zinc/20/89/64/989208964.db2.gz HSHASRSNMIIVOS-UWVGGRQHSA-N 0 0 241.287 2.165 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CC[C@@H](C)CC ZINC001520099169 989508295 /nfs/dbraw/zinc/50/82/95/989508295.db2.gz GVFJBNGFJDKXJO-VHSXEESVSA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC1(C)C ZINC001520099580 989509349 /nfs/dbraw/zinc/50/93/49/989509349.db2.gz RUIHVYWPQZGBOF-NXEZZACHSA-N 0 0 243.303 2.411 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1N1CC(F)(F)C1 ZINC001120956180 989986357 /nfs/dbraw/zinc/98/63/57/989986357.db2.gz FFESFRMWIOYPRF-UHFFFAOYSA-N 0 0 249.604 2.099 20 5 BEBDRN Cc1noc(N[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001120953123 989987709 /nfs/dbraw/zinc/98/77/09/989987709.db2.gz HFQRLVDHZJESAK-ZETCQYMHSA-N 0 0 248.242 2.459 20 5 BEBDRN Cc1nc(N[C@@H]2C[C@@H]3CC[C@H]2O3)ccc1[N+](=O)[O-] ZINC001120955645 989987929 /nfs/dbraw/zinc/98/79/29/989987929.db2.gz APKDKBFZHBZZFQ-IQJOONFLSA-N 0 0 249.270 2.030 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001526649387 990164531 /nfs/dbraw/zinc/16/45/31/990164531.db2.gz PEBHIGCJBDDOOD-YTWAJWBKSA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CCCCSC ZINC001526648446 990165034 /nfs/dbraw/zinc/16/50/34/990165034.db2.gz FPDAUZOBOFAONQ-SECBINFHSA-N 0 0 249.332 2.118 20 5 BEBDRN CCC(=O)Nc1nccc2c1cccc2[N+](=O)[O-] ZINC001538625181 990537112 /nfs/dbraw/zinc/53/71/12/990537112.db2.gz QINNTUDPQHDFKD-UHFFFAOYSA-N 0 0 245.238 2.492 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)CC(C)C ZINC001123355552 990548579 /nfs/dbraw/zinc/54/85/79/990548579.db2.gz RYJNSUPXBCAVEJ-VHSXEESVSA-N 0 0 231.292 2.267 20 5 BEBDRN CCC[C@@H](C)C(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001123356016 990557542 /nfs/dbraw/zinc/55/75/42/990557542.db2.gz ZBJQMVSSQSRJAH-BDAKNGLRSA-N 0 0 217.265 2.021 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)CSC(C)(C)C ZINC001123355601 990559502 /nfs/dbraw/zinc/55/95/02/990559502.db2.gz TVYXUIQAXGNMPU-QMMMGPOBSA-N 0 0 249.332 2.117 20 5 BEBDRN O=[N+]([O-])c1cnc(Sc2ncc[nH]2)c(F)c1 ZINC001559117465 991038351 /nfs/dbraw/zinc/03/83/51/991038351.db2.gz MDSFIDWCHONTOC-UHFFFAOYSA-N 0 0 240.219 2.003 20 5 BEBDRN O=[N+]([O-])c1sccc1OC[C@@H]1CCOC1 ZINC001559414370 991097944 /nfs/dbraw/zinc/09/79/44/991097944.db2.gz ZCPMERBJXLRXLB-SSDOTTSWSA-N 0 0 229.257 2.072 20 5 BEBDRN O=[N+]([O-])c1sccc1OC[C@@H]1CCCO1 ZINC001559414147 991099210 /nfs/dbraw/zinc/09/92/10/991099210.db2.gz QLNLMQFCXXMWED-ZETCQYMHSA-N 0 0 229.257 2.214 20 5 BEBDRN C=C=CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001310095799 991294757 /nfs/dbraw/zinc/29/47/57/991294757.db2.gz ARMBUVRWMSGPSW-UHFFFAOYSA-N 0 0 247.254 2.366 20 5 BEBDRN CC1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001319217548 991818168 /nfs/dbraw/zinc/81/81/68/991818168.db2.gz HCTNEKXDXRSDON-UHFFFAOYSA-N 0 0 246.266 2.237 20 5 BEBDRN Cc1c[nH]c(Nc2nccc(C)c2[N+](=O)[O-])n1 ZINC001319291996 991835378 /nfs/dbraw/zinc/83/53/78/991835378.db2.gz YCTBVWDOARZHST-UHFFFAOYSA-N 0 0 233.231 2.073 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1C[C@@H]1F ZINC001262737575 993058003 /nfs/dbraw/zinc/05/80/03/993058003.db2.gz JBUWKURRWFLQFR-BQBZGAKWSA-N 0 0 242.181 2.030 20 5 BEBDRN Cc1cc(NC(=O)c2cc[nH]c2)cc([N+](=O)[O-])c1 ZINC001305601159 995228242 /nfs/dbraw/zinc/22/82/42/995228242.db2.gz MTJOTWGZEMBXDD-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN Cc1cccc(Nc2nn(C)cc2[N+](=O)[O-])c1 ZINC001306914328 995270353 /nfs/dbraw/zinc/27/03/53/995270353.db2.gz SCWDIKXSOHHEFG-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Cc1cncnc1Oc1cccc([N+](=O)[O-])c1 ZINC001306915999 995273219 /nfs/dbraw/zinc/27/32/19/995273219.db2.gz RCNCAYAJORNJEI-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN C[C@H](O)CCCOc1ccsc1[N+](=O)[O-] ZINC001613792407 1170486897 /nfs/dbraw/zinc/48/68/97/1170486897.db2.gz KYLWBQORDUEVFC-ZETCQYMHSA-N 0 0 231.273 2.196 20 5 BEBDRN C[C@H](O)CCn1ccc2c1cccc2[N+](=O)[O-] ZINC000129725206 136211686 /nfs/dbraw/zinc/21/16/86/136211686.db2.gz KCMYQIAJYKWMDN-VIFPVBQESA-N 0 0 234.255 2.320 20 5 BEBDRN Cc1cc(CNCc2cccc([N+](=O)[O-])c2)on1 ZINC000044986109 178026507 /nfs/dbraw/zinc/02/65/07/178026507.db2.gz FWOFOQDSGBSOQX-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN Cc1cc(CNc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000286392494 178043176 /nfs/dbraw/zinc/04/31/76/178043176.db2.gz JHTUCOFCJLKZJV-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cc(CNc2nccc(C)c2[N+](=O)[O-])on1 ZINC000070496220 178044005 /nfs/dbraw/zinc/04/40/05/178044005.db2.gz QYKTZQSESMCZPZ-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1cc(NCC2=CCCOC2)ncc1[N+](=O)[O-] ZINC000288413176 178155894 /nfs/dbraw/zinc/15/58/94/178155894.db2.gz GTKRLLQANDJUEW-UHFFFAOYSA-N 0 0 249.270 2.057 20 5 BEBDRN Cc1ccnc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000339304826 187329677 /nfs/dbraw/zinc/32/96/77/187329677.db2.gz MCTWTRSNHLHSAT-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN Cc1cc(NC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000035277402 178167628 /nfs/dbraw/zinc/16/76/28/178167628.db2.gz YITCIIIDJBOYMZ-NSHDSACASA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cc(NC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000035277404 178169824 /nfs/dbraw/zinc/16/98/24/178169824.db2.gz YITCIIIDJBOYMZ-LLVKDONJSA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cc(NCc2cccc([N+](=O)[O-])c2)ncn1 ZINC000052942792 178173308 /nfs/dbraw/zinc/17/33/08/178173308.db2.gz FPFWUKNCNZWLLD-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cc(NCc2ccncc2)ncc1[N+](=O)[O-] ZINC000092026744 178174437 /nfs/dbraw/zinc/17/44/37/178174437.db2.gz LZXZZQOWPBFCRS-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cc(OCC(C)(C)O)c(F)cc1[N+](=O)[O-] ZINC000123656185 178209372 /nfs/dbraw/zinc/20/93/72/178209372.db2.gz QGFBVGPHBBCRQS-UHFFFAOYSA-N 0 0 243.234 2.192 20 5 BEBDRN Cc1cc(OCC(C)(C)O)ccc1[N+](=O)[O-] ZINC000037695046 178209838 /nfs/dbraw/zinc/20/98/38/178209838.db2.gz NHZKJIANLRIZCV-UHFFFAOYSA-N 0 0 225.244 2.053 20 5 BEBDRN Cc1cc(OC[C@@H](C)O)c(Cl)cc1[N+](=O)[O-] ZINC000309202792 178212312 /nfs/dbraw/zinc/21/23/12/178212312.db2.gz LSGGTLNBDZVDAK-SSDOTTSWSA-N 0 0 245.662 2.316 20 5 BEBDRN Cc1cc(OCc2ccon2)ccc1[N+](=O)[O-] ZINC000357651711 178213452 /nfs/dbraw/zinc/21/34/52/178213452.db2.gz JTQKTFZGUYBSRL-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NCCCCF ZINC000310140803 136225977 /nfs/dbraw/zinc/22/59/77/136225977.db2.gz KCRKTKZTOOEKAG-UHFFFAOYSA-N 0 0 244.270 2.281 20 5 BEBDRN CC(C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000265625874 187332757 /nfs/dbraw/zinc/33/27/57/187332757.db2.gz YZLRNAUGAUMQKV-UHFFFAOYSA-N 0 0 236.227 2.159 20 5 BEBDRN O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CC12CC2 ZINC000421432257 192338328 /nfs/dbraw/zinc/33/83/28/192338328.db2.gz KYBUDAQAEUOIDB-SNVBAGLBSA-N 0 0 246.266 2.011 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC(C)C1 ZINC000267689115 178270911 /nfs/dbraw/zinc/27/09/11/178270911.db2.gz JMSIFWZULWVVMH-UHFFFAOYSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N(C)CC[C@@H](C)O ZINC000080651008 178271373 /nfs/dbraw/zinc/27/13/73/178271373.db2.gz AUCQMUZGBMZVKW-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCOC1 ZINC000112796066 178272251 /nfs/dbraw/zinc/27/22/51/178272251.db2.gz OXLCUYDHCVQYKI-JTQLQIEISA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OC[C@@H]1CCOC1 ZINC000330465376 178272486 /nfs/dbraw/zinc/27/24/86/178272486.db2.gz VRTNDVHGSPOYSO-SNVBAGLBSA-N 0 0 237.255 2.319 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCc1ccn(C)n1 ZINC000212220249 178272491 /nfs/dbraw/zinc/27/24/91/178272491.db2.gz FOWKRXAPXKKRMK-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCC[C@H](C)O ZINC000059538875 178272669 /nfs/dbraw/zinc/27/26/69/178272669.db2.gz FTUGDUCPLXGNLX-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCC1(O)CCC1 ZINC000339324810 178272842 /nfs/dbraw/zinc/27/28/42/178272842.db2.gz CKAKOBMDJWYIHI-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCOC1 ZINC000112796064 178273262 /nfs/dbraw/zinc/27/32/62/178273262.db2.gz OXLCUYDHCVQYKI-SNVBAGLBSA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCCn1cccn1 ZINC000131434432 178273287 /nfs/dbraw/zinc/27/32/87/178273287.db2.gz LTCUIYJACRZFBW-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CCSC1 ZINC000078500235 178275314 /nfs/dbraw/zinc/27/53/14/178275314.db2.gz ZLSQFAOSLRICEO-MRVPVSSYSA-N 0 0 239.300 2.216 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@H](CCO)C1CC1 ZINC000301342233 398270990 /nfs/dbraw/zinc/27/09/90/398270990.db2.gz ILPCVTCTOMOVID-SNVBAGLBSA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1ccccc1CNCc1ccco1 ZINC000054978533 398282531 /nfs/dbraw/zinc/28/25/31/398282531.db2.gz JESBDVIAMOLEDJ-UHFFFAOYSA-N 0 0 232.239 2.478 20 5 BEBDRN Cc1cnc(OCC2CC2)c([N+](=O)[O-])c1 ZINC000130828585 398282862 /nfs/dbraw/zinc/28/28/62/398282862.db2.gz AQRZBHSNVRPIBS-UHFFFAOYSA-N 0 0 208.217 2.087 20 5 BEBDRN C[C@@H]1CN(c2ccsc2[N+](=O)[O-])C[C@H](C)O1 ZINC000042653311 342780259 /nfs/dbraw/zinc/78/02/59/342780259.db2.gz XOFCUQFBCBZILU-OCAPTIKFSA-N 0 0 242.300 2.270 20 5 BEBDRN Cc1nc(NC(=O)[C@H]2CC23CC3)ccc1[N+](=O)[O-] ZINC000421486052 192344572 /nfs/dbraw/zinc/34/45/72/192344572.db2.gz PKSRIJQGKLGBGE-MRVPVSSYSA-N 0 0 247.254 2.037 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403257049 398291968 /nfs/dbraw/zinc/29/19/68/398291968.db2.gz WLCUHAIRDFQSLI-OUAUKWLOSA-N 0 0 247.298 2.260 20 5 BEBDRN Cc1c(NC(=O)c2cocn2)cccc1[N+](=O)[O-] ZINC000609160010 342864027 /nfs/dbraw/zinc/86/40/27/342864027.db2.gz VXSZGPHCFJHZJT-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CC[C@H](O)C2)s1 ZINC000309596556 398304121 /nfs/dbraw/zinc/30/41/21/398304121.db2.gz UVCCHOZASWTWEY-YUMQZZPRSA-N 0 0 242.300 2.229 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CC[C@H](O)C2)s1 ZINC000309596555 398304282 /nfs/dbraw/zinc/30/42/82/398304282.db2.gz UVCCHOZASWTWEY-SFYZADRCSA-N 0 0 242.300 2.229 20 5 BEBDRN C[C@@H](CO)[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000077228099 398307512 /nfs/dbraw/zinc/30/75/12/398307512.db2.gz LFBDPJRKVWMIDV-DTWKUNHWSA-N 0 0 224.260 2.024 20 5 BEBDRN C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@H](C)CO ZINC000077228132 398307762 /nfs/dbraw/zinc/30/77/62/398307762.db2.gz NEUVAQHGQFEQBD-HTQZYQBOSA-N 0 0 242.250 2.163 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCCO1 ZINC000057366641 398320399 /nfs/dbraw/zinc/32/03/99/398320399.db2.gz FMOSABDWNHCVGA-SECBINFHSA-N 0 0 240.234 2.325 20 5 BEBDRN Cc1cc(CNc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000609595734 342887687 /nfs/dbraw/zinc/88/76/87/342887687.db2.gz AFELHYGUOJRTAP-UHFFFAOYSA-N 0 0 232.243 2.238 20 5 BEBDRN C[C@@H]1C[C@H](C)CN(c2ccncc2[N+](=O)[O-])C1 ZINC000604560336 398322280 /nfs/dbraw/zinc/32/22/80/398322280.db2.gz XLQALYDKFXCGCY-AOOOYVTPSA-N 0 0 235.287 2.472 20 5 BEBDRN C[C@@H](CCO)CNc1ccc([N+](=O)[O-])s1 ZINC000078581100 342911971 /nfs/dbraw/zinc/91/19/71/342911971.db2.gz HSQCOLUSSRJFNZ-ZETCQYMHSA-N 0 0 230.289 2.087 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC[C@H](C)CO ZINC000157757280 342922579 /nfs/dbraw/zinc/92/25/79/342922579.db2.gz OITSQCPWLVCWFK-QMMMGPOBSA-N 0 0 238.287 2.252 20 5 BEBDRN CC(C)OCCOc1ccccc1[N+](=O)[O-] ZINC000058825331 398327412 /nfs/dbraw/zinc/32/74/12/398327412.db2.gz RSYRFMSFXXURKW-UHFFFAOYSA-N 0 0 225.244 2.399 20 5 BEBDRN CC(C)(CF)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000354450324 187210271 /nfs/dbraw/zinc/21/02/71/187210271.db2.gz VAZBQVAQQCQJBW-UHFFFAOYSA-N 0 0 246.263 2.134 20 5 BEBDRN Cc1ccc(NCC2(C)COC2)c([N+](=O)[O-])c1 ZINC000223245911 187227843 /nfs/dbraw/zinc/22/78/43/187227843.db2.gz DYNGDEAMOYUQJH-UHFFFAOYSA-N 0 0 236.271 2.352 20 5 BEBDRN C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)[C@H]1C ZINC000249456422 362068920 /nfs/dbraw/zinc/06/89/20/362068920.db2.gz YCNACNGNWKIFAF-RQJHMYQMSA-N 0 0 227.289 2.286 20 5 BEBDRN C[C@H]1CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000609892166 343115027 /nfs/dbraw/zinc/11/50/27/343115027.db2.gz LUJVGGVDZXPSNS-LURJTMIESA-N 0 0 227.651 2.242 20 5 BEBDRN C[C@@H]1CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000609892168 343123882 /nfs/dbraw/zinc/12/38/82/343123882.db2.gz LUJVGGVDZXPSNS-ZCFIWIBFSA-N 0 0 227.651 2.242 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N1[C@@H](C)C[C@@H]1C ZINC000576901225 365718222 /nfs/dbraw/zinc/71/82/22/365718222.db2.gz QTIYDUGCXUZHGN-YUMQZZPRSA-N 0 0 238.291 2.107 20 5 BEBDRN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000335777150 344029470 /nfs/dbraw/zinc/02/94/70/344029470.db2.gz LWGZJLSWISICDV-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN C[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccon1 ZINC000349199460 136331497 /nfs/dbraw/zinc/33/14/97/136331497.db2.gz MFWLTEXGAQULSN-SECBINFHSA-N 0 0 247.254 2.434 20 5 BEBDRN CC[C@@H](C)[C@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310444421 343497779 /nfs/dbraw/zinc/49/77/79/343497779.db2.gz UAUQEVQRVVTIKH-SFYZADRCSA-N 0 0 238.291 2.419 20 5 BEBDRN C[C@@H](O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000083676234 343495456 /nfs/dbraw/zinc/49/54/56/343495456.db2.gz OMJWGANUNKEQJG-ZCFIWIBFSA-N 0 0 231.635 2.008 20 5 BEBDRN Cc1cc(NOCC(C)(C)O)ccc1[N+](=O)[O-] ZINC000278487698 187340952 /nfs/dbraw/zinc/34/09/52/187340952.db2.gz GRBMFIRKKYAHBB-UHFFFAOYSA-N 0 0 240.259 2.018 20 5 BEBDRN COC[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000610076852 343502621 /nfs/dbraw/zinc/50/26/21/343502621.db2.gz DWGRPYUMWKSBTJ-MRVPVSSYSA-N 0 0 242.300 2.129 20 5 BEBDRN CCN(CC)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000310742706 343565834 /nfs/dbraw/zinc/56/58/34/343565834.db2.gz GIMQIIIITHWJEO-UHFFFAOYSA-N 0 0 246.270 2.384 20 5 BEBDRN Cc1cc(C(=O)NCC2CC2)cc([N+](=O)[O-])c1 ZINC000049158835 343593831 /nfs/dbraw/zinc/59/38/31/343593831.db2.gz LUXIJIKMTDYNSL-UHFFFAOYSA-N 0 0 234.255 2.043 20 5 BEBDRN CC(C)C[C@H](C)Cn1cccc([N+](=O)[O-])c1=O ZINC000280951178 187343176 /nfs/dbraw/zinc/34/31/76/187343176.db2.gz JENPRCYMMJLQPV-JTQLQIEISA-N 0 0 238.287 2.439 20 5 BEBDRN CC1(C)CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000610116676 343629775 /nfs/dbraw/zinc/62/97/75/343629775.db2.gz OJRHTTMDQJHVLR-UHFFFAOYSA-N 0 0 240.284 2.281 20 5 BEBDRN C[C@H](C[C@H](C)O)Nc1sccc1[N+](=O)[O-] ZINC000309064762 349829792 /nfs/dbraw/zinc/82/97/92/349829792.db2.gz YSZTUCHMHPMAPL-RQJHMYQMSA-N 0 0 230.289 2.228 20 5 BEBDRN CN(CCC1CC1)c1ncc([N+](=O)[O-])s1 ZINC000192503813 529876898 /nfs/dbraw/zinc/87/68/98/529876898.db2.gz YHVDBNIGLNTQHR-UHFFFAOYSA-N 0 0 227.289 2.288 20 5 BEBDRN CN(c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000220053476 343873804 /nfs/dbraw/zinc/87/38/04/343873804.db2.gz POYROCQOTUOVFA-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC2(CC2)C1 ZINC000334506220 343888666 /nfs/dbraw/zinc/88/86/66/343888666.db2.gz YWPPQOLBVALGPW-UHFFFAOYSA-N 0 0 247.254 2.223 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC=CC2)c1 ZINC000126346882 343889782 /nfs/dbraw/zinc/88/97/82/343889782.db2.gz PQISPAZRVRBRAK-UHFFFAOYSA-N 0 0 246.266 2.352 20 5 BEBDRN O=[N+]([O-])c1ccnn1CC1=CCCCC1 ZINC000334623731 343896616 /nfs/dbraw/zinc/89/66/16/343896616.db2.gz AWGBAKYXIWYGKS-UHFFFAOYSA-N 0 0 207.233 2.292 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1CC1=CCCCC1 ZINC000334649029 343896757 /nfs/dbraw/zinc/89/67/57/343896757.db2.gz RMTVGQIYOCZLOT-UHFFFAOYSA-N 0 0 234.255 2.257 20 5 BEBDRN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]1C1CC1 ZINC000334672767 343901157 /nfs/dbraw/zinc/90/11/57/343901157.db2.gz XMRNTFIOCYGOSR-NSHDSACASA-N 0 0 246.266 2.219 20 5 BEBDRN CC1(C)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000286647963 343917593 /nfs/dbraw/zinc/91/75/93/343917593.db2.gz IFZWWQAAGWCWDI-MRVPVSSYSA-N 0 0 238.243 2.106 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC23CC3)c1 ZINC000335097306 343927206 /nfs/dbraw/zinc/92/72/06/343927206.db2.gz CGPVQHAYTCJRKF-NSHDSACASA-N 0 0 246.266 2.186 20 5 BEBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1C ZINC000335102125 343927906 /nfs/dbraw/zinc/92/79/06/343927906.db2.gz YBIJNJOQUGNFOE-RNFRBKRXSA-N 0 0 240.284 2.137 20 5 BEBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C ZINC000335102126 343928150 /nfs/dbraw/zinc/92/81/50/343928150.db2.gz YBIJNJOQUGNFOE-RQJHMYQMSA-N 0 0 240.284 2.137 20 5 BEBDRN CCC1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000335116432 343929768 /nfs/dbraw/zinc/92/97/68/343929768.db2.gz WQYAWMRRDOJIKE-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)[C@H]1C ZINC000610588426 343971406 /nfs/dbraw/zinc/97/14/06/343971406.db2.gz ZUVMECRCYORPQO-IUCAKERBSA-N 0 0 221.260 2.225 20 5 BEBDRN CC[C@@H](O)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000127240669 344062368 /nfs/dbraw/zinc/06/23/68/344062368.db2.gz OBMFFKUMGMQDPP-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000023243582 344247283 /nfs/dbraw/zinc/24/72/83/344247283.db2.gz KVRZOEULLBLIQR-XVKPBYJWSA-N 0 0 220.228 2.189 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@H](CO)CC1CC1 ZINC000611104512 344248450 /nfs/dbraw/zinc/24/84/50/344248450.db2.gz ZJUVBIBLLXHYIA-JTQLQIEISA-N 0 0 236.271 2.168 20 5 BEBDRN C[C@@H]1C[C@H]1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000600535549 344259858 /nfs/dbraw/zinc/25/98/58/344259858.db2.gz JBDWQDJKNSBPNK-RQJHMYQMSA-N 0 0 242.662 2.066 20 5 BEBDRN Cc1ccc(Cn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000016280446 178665413 /nfs/dbraw/zinc/66/54/13/178665413.db2.gz OFPOUSFDFPXPOL-UHFFFAOYSA-N 0 0 244.250 2.113 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1SCCCO ZINC000085162660 344503271 /nfs/dbraw/zinc/50/32/71/344503271.db2.gz QMYJXRYLEYIBMY-UHFFFAOYSA-N 0 0 231.248 2.208 20 5 BEBDRN COCCCN(C)c1sccc1[N+](=O)[O-] ZINC000611289974 344448773 /nfs/dbraw/zinc/44/87/73/344448773.db2.gz LWUHSOHIVIMKRM-UHFFFAOYSA-N 0 0 230.289 2.129 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]1C ZINC000603265115 344472844 /nfs/dbraw/zinc/47/28/44/344472844.db2.gz FYIRZNNAVVIVRF-SECBINFHSA-N 0 0 234.255 2.138 20 5 BEBDRN CCC(F)(F)Cn1c(C)ncc1[N+](=O)[O-] ZINC000603314988 344480713 /nfs/dbraw/zinc/48/07/13/344480713.db2.gz YNKBFYFRAZLAOS-UHFFFAOYSA-N 0 0 219.191 2.145 20 5 BEBDRN C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000611377951 344495940 /nfs/dbraw/zinc/49/59/40/344495940.db2.gz ZSWIXJMTSFFQAD-ATZCPNFKSA-N 0 0 248.282 2.428 20 5 BEBDRN C[C@@H](CO)CSc1cccc([N+](=O)[O-])c1 ZINC000085137795 344501769 /nfs/dbraw/zinc/50/17/69/344501769.db2.gz WRHKPKRMYJOWQT-QMMMGPOBSA-N 0 0 227.285 2.315 20 5 BEBDRN CC[C@H]1CN(c2sccc2[N+](=O)[O-])CCO1 ZINC000611411380 344557217 /nfs/dbraw/zinc/55/72/17/344557217.db2.gz PCJZZKMVSNWVLE-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN CC1(C)[C@@H](O)C[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000309443482 347063501 /nfs/dbraw/zinc/06/35/01/347063501.db2.gz KRKYWWPSHOOQJQ-BQBZGAKWSA-N 0 0 242.300 2.228 20 5 BEBDRN C[C@@H](Nc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000082294131 344723693 /nfs/dbraw/zinc/72/36/93/344723693.db2.gz FQCOEDIDYCTXEK-MRVPVSSYSA-N 0 0 224.260 2.166 20 5 BEBDRN C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1F ZINC000611494189 344745180 /nfs/dbraw/zinc/74/51/80/344745180.db2.gz GIFDOGYPYLHOJL-DTWKUNHWSA-N 0 0 239.250 2.174 20 5 BEBDRN C[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C[C@H]1F ZINC000611494109 344745955 /nfs/dbraw/zinc/74/59/55/344745955.db2.gz CVGZGXZGLFNXNH-RKDXNWHRSA-N 0 0 239.250 2.174 20 5 BEBDRN C[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C[C@H]1F ZINC000611494497 344746548 /nfs/dbraw/zinc/74/65/48/344746548.db2.gz RXMLLQILVFTHFO-RKDXNWHRSA-N 0 0 239.250 2.174 20 5 BEBDRN O=[N+]([O-])c1cc(CN2CC=CCC2)cs1 ZINC000611517613 344749524 /nfs/dbraw/zinc/74/95/24/344749524.db2.gz YJLMXXGOSPMMJS-UHFFFAOYSA-N 0 0 224.285 2.418 20 5 BEBDRN CC(C)[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1 ZINC000075050875 344763446 /nfs/dbraw/zinc/76/34/46/344763446.db2.gz FHUUSLUUFWNFEZ-GFCCVEGCSA-N 0 0 238.287 2.414 20 5 BEBDRN O=[N+]([O-])c1ncccc1S[C@H]1CCCOC1 ZINC000611541705 344753322 /nfs/dbraw/zinc/75/33/22/344753322.db2.gz BYIJKWRELCPCRR-QMMMGPOBSA-N 0 0 240.284 2.261 20 5 BEBDRN CCCN(C)c1cc(C)c([N+](=O)[O-])cn1 ZINC000074744504 344754555 /nfs/dbraw/zinc/75/45/55/344754555.db2.gz RHCHUNDYGPIHSN-UHFFFAOYSA-N 0 0 209.249 2.144 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccco2)cc1 ZINC000075668628 344783749 /nfs/dbraw/zinc/78/37/49/344783749.db2.gz XYLGVYPBUCIABD-LLVKDONJSA-N 0 0 248.238 2.333 20 5 BEBDRN C[C@@H]1C[C@@H](C)N(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408469674 344830425 /nfs/dbraw/zinc/83/04/25/344830425.db2.gz PPYCOLLRWNVQGI-HTQZYQBOSA-N 0 0 239.250 2.364 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000078371352 344855553 /nfs/dbraw/zinc/85/55/53/344855553.db2.gz HOPKQMWMAIVWFB-PHIMTYICSA-N 0 0 245.282 2.392 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1CCC=C(F)C1 ZINC000613331569 344974319 /nfs/dbraw/zinc/97/43/19/344974319.db2.gz WRTNKCQEIIFRGB-UHFFFAOYSA-N 0 0 223.207 2.053 20 5 BEBDRN CCC(F)(F)Cn1c(C)c([N+](=O)[O-])ccc1=O ZINC000603331230 349924950 /nfs/dbraw/zinc/92/49/50/349924950.db2.gz DFXTXXUBVCLOIP-UHFFFAOYSA-N 0 0 246.213 2.110 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1OC2CCC1CC2 ZINC000601272854 345228794 /nfs/dbraw/zinc/22/87/94/345228794.db2.gz NPCKTKJFNAXLRO-UHFFFAOYSA-N 0 0 235.243 2.053 20 5 BEBDRN CCOc1cc(SCCO)ccc1[N+](=O)[O-] ZINC000082523564 345315741 /nfs/dbraw/zinc/31/57/41/345315741.db2.gz QWSVUDZATSIWRV-UHFFFAOYSA-N 0 0 243.284 2.078 20 5 BEBDRN Cc1ccnc(NCC(F)(F)F)c1[N+](=O)[O-] ZINC000070062623 345320793 /nfs/dbraw/zinc/32/07/93/345320793.db2.gz WHEGLJFOHVTBTM-UHFFFAOYSA-N 0 0 235.165 2.272 20 5 BEBDRN C[C@@H](O)C(C)(C)Nc1ccc([N+](=O)[O-])cc1F ZINC000158791881 345301093 /nfs/dbraw/zinc/30/10/93/345301093.db2.gz VGAXLRGVRZLBEV-SSDOTTSWSA-N 0 0 242.250 2.305 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N1CCCOCC1 ZINC000080607700 345350560 /nfs/dbraw/zinc/35/05/60/345350560.db2.gz RCZJTELXGNEESD-UHFFFAOYSA-N 0 0 236.271 2.130 20 5 BEBDRN CC[C@H]1COCCN1c1ccc([N+](=O)[O-])cc1 ZINC000091483367 345595111 /nfs/dbraw/zinc/59/51/11/345595111.db2.gz PXTDXOHPDHYATE-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN CC(C)(O)CCNc1cc(F)cc([N+](=O)[O-])c1 ZINC000336703349 187307603 /nfs/dbraw/zinc/30/76/03/187307603.db2.gz KMMWLWVTEBEOQB-UHFFFAOYSA-N 0 0 242.250 2.307 20 5 BEBDRN CC(C)(F)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000091886189 345611667 /nfs/dbraw/zinc/61/16/67/345611667.db2.gz QEDODBGUGAYHGH-UHFFFAOYSA-N 0 0 245.181 2.387 20 5 BEBDRN Cc1ocnc1CNc1ncc([N+](=O)[O-])cc1C ZINC000092692107 345636339 /nfs/dbraw/zinc/63/63/39/345636339.db2.gz QBBXENUNJUTLDG-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CCOCCN(C)c1ccc([N+](=O)[O-])cc1F ZINC000092963217 345650061 /nfs/dbraw/zinc/65/00/61/345650061.db2.gz SUSIOAABVWQXCY-UHFFFAOYSA-N 0 0 242.250 2.207 20 5 BEBDRN CC1(C)SC[C@@H]1Nc1ccncc1[N+](=O)[O-] ZINC000309373093 187309355 /nfs/dbraw/zinc/30/93/55/187309355.db2.gz CHNGVZBWUIUQFH-VIFPVBQESA-N 0 0 239.300 2.296 20 5 BEBDRN C[C@H](O)CCCOc1cccc([N+](=O)[O-])c1 ZINC000142116458 345704195 /nfs/dbraw/zinc/70/41/95/345704195.db2.gz VZKTXRQLFHUUIG-VIFPVBQESA-N 0 0 225.244 2.135 20 5 BEBDRN Cc1ccnc(CNc2ccc([N+](=O)[O-])cn2)c1 ZINC000143564022 345706561 /nfs/dbraw/zinc/70/65/61/345706561.db2.gz GHSTUBFYZZJJMN-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1NCC1(O)CCC1 ZINC000074749197 187359705 /nfs/dbraw/zinc/35/97/05/187359705.db2.gz UDKKDPLAKYNECT-UHFFFAOYSA-N 0 0 240.234 2.061 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NCC[C@@H](C)O ZINC000082997684 345799079 /nfs/dbraw/zinc/79/90/79/345799079.db2.gz WFDPGLZKUWIMQG-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN C[C@H]1CSC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000309795211 187310012 /nfs/dbraw/zinc/31/00/12/187310012.db2.gz QADIYYSEXOSCMW-YUMQZZPRSA-N 0 0 239.300 2.153 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)CC(C)C)n1 ZINC000269064612 178928167 /nfs/dbraw/zinc/92/81/67/178928167.db2.gz YROJURBUYWPQRW-UHFFFAOYSA-N 0 0 223.276 2.390 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CC[C@@H]2C3)n1 ZINC000178181845 178929017 /nfs/dbraw/zinc/92/90/17/178929017.db2.gz IAUDLMSNDWXMAU-VHSXEESVSA-N 0 0 233.271 2.287 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1CC1 ZINC000049376130 178931720 /nfs/dbraw/zinc/93/17/20/178931720.db2.gz BDZIVUUOBPCCPK-SECBINFHSA-N 0 0 248.282 2.432 20 5 BEBDRN C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000144862549 345925921 /nfs/dbraw/zinc/92/59/21/345925921.db2.gz FKOGDVCVMFUOSN-VIFPVBQESA-N 0 0 249.270 2.469 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)CC2CC2)s1 ZINC000309505968 347088899 /nfs/dbraw/zinc/08/88/99/347088899.db2.gz NDYXKDMKRQRBGQ-MRVPVSSYSA-N 0 0 242.300 2.229 20 5 BEBDRN C[C@@H](C(=O)N[C@@H]1C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000585752956 345985446 /nfs/dbraw/zinc/98/54/46/345985446.db2.gz YZLOAFNSHYENCZ-KBVBSXBZSA-N 0 0 248.282 2.223 20 5 BEBDRN Cc1cc(N[C@@H](C)CCO)c(F)cc1[N+](=O)[O-] ZINC000292760206 187362908 /nfs/dbraw/zinc/36/29/08/187362908.db2.gz WCCFOFKLBACKQB-QMMMGPOBSA-N 0 0 242.250 2.225 20 5 BEBDRN CC1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000332500275 187365496 /nfs/dbraw/zinc/36/54/96/187365496.db2.gz VUPIHEWDDFWLID-UHFFFAOYSA-N 0 0 248.282 2.006 20 5 BEBDRN C[C@@]1(O)C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000418998599 192096759 /nfs/dbraw/zinc/09/67/59/192096759.db2.gz MRQPPLJQHUDWKF-DKTWLAJQSA-N 0 0 240.234 2.059 20 5 BEBDRN Cc1cc(C(=O)NC[C@@H]2C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000150322858 346170575 /nfs/dbraw/zinc/17/05/75/346170575.db2.gz SEQZRJJPMMTJFQ-KOLCDFICSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1cc(C(=O)NC[C@H]2C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000150323064 346170642 /nfs/dbraw/zinc/17/06/42/346170642.db2.gz SEQZRJJPMMTJFQ-MWLCHTKSSA-N 0 0 248.282 2.289 20 5 BEBDRN CC[C@@]1(O)CCN(c2sccc2[N+](=O)[O-])C1 ZINC000614531931 346189868 /nfs/dbraw/zinc/18/98/68/346189868.db2.gz BTDMVLRXINIYGI-SNVBAGLBSA-N 0 0 242.300 2.008 20 5 BEBDRN CC[C@]1(O)CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000614531990 346189895 /nfs/dbraw/zinc/18/98/95/346189895.db2.gz SWFPLTPIRATTDG-JTQLQIEISA-N 0 0 242.300 2.008 20 5 BEBDRN O=[N+]([O-])c1ccc(N(CCO)C2CCC2)s1 ZINC000615179334 346235743 /nfs/dbraw/zinc/23/57/43/346235743.db2.gz HNKREVADZIIVCJ-UHFFFAOYSA-N 0 0 242.300 2.008 20 5 BEBDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000615561222 346251903 /nfs/dbraw/zinc/25/19/03/346251903.db2.gz SWNRTKMQIUYSST-KBVBSXBZSA-N 0 0 248.282 2.428 20 5 BEBDRN CC1=CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601136168 346257335 /nfs/dbraw/zinc/25/73/35/346257335.db2.gz XLOBERBJSYQDMN-UHFFFAOYSA-N 0 0 237.234 2.285 20 5 BEBDRN Cc1cccc(Cn2cnc([N+](=O)[O-])c2)c1 ZINC000071834121 179109942 /nfs/dbraw/zinc/10/99/42/179109942.db2.gz FVPNOWAPMWSOAN-UHFFFAOYSA-N 0 0 217.228 2.148 20 5 BEBDRN Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)cn1 ZINC000058002781 346647957 /nfs/dbraw/zinc/64/79/57/346647957.db2.gz IVPVTSVWXSCKPH-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC(C)C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000165803557 346658433 /nfs/dbraw/zinc/65/84/33/346658433.db2.gz YLFVZLAFGRVWTQ-UHFFFAOYSA-N 0 0 223.228 2.294 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])s1)[C@H]1CCCOC1 ZINC000588065462 346630362 /nfs/dbraw/zinc/63/03/62/346630362.db2.gz IJISDSNBIKYWMO-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN Cc1cc(N2CCC[C@@H]3C[C@@H]32)ncc1[N+](=O)[O-] ZINC000588066394 346631282 /nfs/dbraw/zinc/63/12/82/346631282.db2.gz NFIAPMWNNJEJIP-ZJUUUORDSA-N 0 0 233.271 2.287 20 5 BEBDRN CO[C@@H](C)CN(C)c1sccc1[N+](=O)[O-] ZINC000588082795 346633059 /nfs/dbraw/zinc/63/30/59/346633059.db2.gz IZDBHDCEASNLIE-ZETCQYMHSA-N 0 0 230.289 2.127 20 5 BEBDRN O=[N+]([O-])c1cccc(Oc2cnccn2)c1 ZINC000005938706 346633138 /nfs/dbraw/zinc/63/31/38/346633138.db2.gz LKTHNRMAEFDBKC-UHFFFAOYSA-N 0 0 217.184 2.177 20 5 BEBDRN CO[C@H](C)CN(C)c1ccsc1[N+](=O)[O-] ZINC000588082802 346633229 /nfs/dbraw/zinc/63/32/29/346633229.db2.gz LGSQVWAXJBMFHC-SSDOTTSWSA-N 0 0 230.289 2.127 20 5 BEBDRN Cc1nc(N2CC(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000589695379 346727815 /nfs/dbraw/zinc/72/78/15/346727815.db2.gz FZVXYYKCDJOPPX-UHFFFAOYSA-N 0 0 233.271 2.144 20 5 BEBDRN CCc1ccc([N+](=O)[O-])cc1NC[C@H](C)CO ZINC000589569559 346713893 /nfs/dbraw/zinc/71/38/93/346713893.db2.gz XJUGKSRIKXTRMU-VIFPVBQESA-N 0 0 238.287 2.198 20 5 BEBDRN Cc1cc(N2CC(C3CC3)C2)ncc1[N+](=O)[O-] ZINC000589695706 346727405 /nfs/dbraw/zinc/72/74/05/346727405.db2.gz PZAIVSFWDHBPSV-UHFFFAOYSA-N 0 0 233.271 2.144 20 5 BEBDRN CCC1(C)CN(c2cccnc2[N+](=O)[O-])C1 ZINC000589695397 346727596 /nfs/dbraw/zinc/72/75/96/346727596.db2.gz HBTKVMPPCPEIEI-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN Cc1cccc(N[C@H](C)CCCO)c1[N+](=O)[O-] ZINC000218867429 179156681 /nfs/dbraw/zinc/15/66/81/179156681.db2.gz WDZGBGGXPIGFLT-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H](C)CCO ZINC000096867110 179206222 /nfs/dbraw/zinc/20/62/22/179206222.db2.gz LLKPZCRVBKCOQL-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N(C)CCCCO ZINC000276197987 179207093 /nfs/dbraw/zinc/20/70/93/179207093.db2.gz ICIDIJDMXHSQHZ-UHFFFAOYSA-N 0 0 238.287 2.112 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCCCCO ZINC000235778770 179207124 /nfs/dbraw/zinc/20/71/24/179207124.db2.gz ONYIOSRPUPJYDE-UHFFFAOYSA-N 0 0 224.260 2.088 20 5 BEBDRN C[C@]1(CNc2ncc([N+](=O)[O-])s2)CCCO1 ZINC000189688567 347308081 /nfs/dbraw/zinc/30/80/81/347308081.db2.gz QIJMALYOZZNRKA-SECBINFHSA-N 0 0 243.288 2.032 20 5 BEBDRN CCCCOCCNc1ncc([N+](=O)[O-])s1 ZINC000189683732 347308221 /nfs/dbraw/zinc/30/82/21/347308221.db2.gz HANHGFLQTRHSAM-UHFFFAOYSA-N 0 0 245.304 2.280 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2CCCC2)s1 ZINC000189680178 347308265 /nfs/dbraw/zinc/30/82/65/347308265.db2.gz CGTNHWSDGKSSGB-UHFFFAOYSA-N 0 0 213.262 2.406 20 5 BEBDRN C[C@@H](F)CCOc1ccc([N+](=O)[O-])c(CO)c1 ZINC000349236169 136742751 /nfs/dbraw/zinc/74/27/51/136742751.db2.gz VUNQXWUNYYNIGR-MRVPVSSYSA-N 0 0 243.234 2.214 20 5 BEBDRN CC1(C)CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000193458588 347397666 /nfs/dbraw/zinc/39/76/66/347397666.db2.gz NZIXROAFGWNJEY-UHFFFAOYSA-N 0 0 235.287 2.413 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2=CCOCC2)s1 ZINC000590708986 347498826 /nfs/dbraw/zinc/49/88/26/347498826.db2.gz GKNPQCOLBUMETD-UHFFFAOYSA-N 0 0 240.284 2.415 20 5 BEBDRN C[C@@H]1C[C@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000590778867 347534517 /nfs/dbraw/zinc/53/45/17/347534517.db2.gz ZSAFUORKUARJII-PHDIDXHHSA-N 0 0 235.199 2.361 20 5 BEBDRN Cc1ccccc1CCCn1cnc([N+](=O)[O-])n1 ZINC000084646885 179263350 /nfs/dbraw/zinc/26/33/50/179263350.db2.gz NNWIMOZFEGOXPF-UHFFFAOYSA-N 0 0 246.270 2.128 20 5 BEBDRN CSCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000197699186 347588140 /nfs/dbraw/zinc/58/81/40/347588140.db2.gz WDGJUJBTNCPRRN-UHFFFAOYSA-N 0 0 228.229 2.366 20 5 BEBDRN C[C@@H]1CN(c2ncccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000591369026 347654732 /nfs/dbraw/zinc/65/47/32/347654732.db2.gz LZEWBWKCRKYAOP-UTLUCORTSA-N 0 0 235.287 2.471 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CC1=CCCC1 ZINC000592357749 347773733 /nfs/dbraw/zinc/77/37/33/347773733.db2.gz PPIGNJIGFWAZFJ-UHFFFAOYSA-N 0 0 234.255 2.175 20 5 BEBDRN CN(CCC(C)(C)C)c1c([N+](=O)[O-])ncn1C ZINC000591970571 347722874 /nfs/dbraw/zinc/72/28/74/347722874.db2.gz KWPJESQLFPISPJ-UHFFFAOYSA-N 0 0 240.307 2.201 20 5 BEBDRN COc1cc(-c2cnn(C)c2C)cc([N+](=O)[O-])c1 ZINC000592988344 347837254 /nfs/dbraw/zinc/83/72/54/347837254.db2.gz BSVIWYMNIJAKLB-UHFFFAOYSA-N 0 0 247.254 2.312 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NC1CC2(CCC2)C1 ZINC000593516409 347903383 /nfs/dbraw/zinc/90/33/83/347903383.db2.gz OLRPGAAVFBLFIG-UHFFFAOYSA-N 0 0 236.275 2.073 20 5 BEBDRN CC[C@@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000216107955 349977951 /nfs/dbraw/zinc/97/79/51/349977951.db2.gz QPEWYQJIIXQVLR-MRVPVSSYSA-N 0 0 243.284 2.167 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NCC[C@@H](C)O ZINC000594702314 348102460 /nfs/dbraw/zinc/10/24/60/348102460.db2.gz FFRZQVSZFNDLMV-SECBINFHSA-N 0 0 238.287 2.394 20 5 BEBDRN CCc1ccc([N+](=O)[O-])cc1NCC[C@H](C)O ZINC000594704482 348103502 /nfs/dbraw/zinc/10/35/02/348103502.db2.gz JJHYGOSDCDQMGQ-VIFPVBQESA-N 0 0 238.287 2.340 20 5 BEBDRN CC[C@H](CC(F)F)Cn1cc([N+](=O)[O-])cn1 ZINC000594891242 348125198 /nfs/dbraw/zinc/12/51/98/348125198.db2.gz RQNRBLISSNQJIT-SSDOTTSWSA-N 0 0 233.218 2.473 20 5 BEBDRN CCOCCNc1cc(C)sc1[N+](=O)[O-] ZINC000596083961 348431742 /nfs/dbraw/zinc/43/17/42/348431742.db2.gz ZLSIMULAHYNMCG-UHFFFAOYSA-N 0 0 230.289 2.413 20 5 BEBDRN O=c1[nH]ccc(N2CCCCCC2)c1[N+](=O)[O-] ZINC000596052225 348432974 /nfs/dbraw/zinc/43/29/74/348432974.db2.gz UZRRJPFLLDYKBL-UHFFFAOYSA-N 0 0 237.259 2.076 20 5 BEBDRN C[C@@H]1CN(c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000596246755 348486418 /nfs/dbraw/zinc/48/64/18/348486418.db2.gz GDULHVVJRMQRJY-BDAKNGLRSA-N 0 0 206.245 2.439 20 5 BEBDRN O=c1[nH]ccc(N[C@@H]2C[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000596280434 348487012 /nfs/dbraw/zinc/48/70/12/348487012.db2.gz FCTRIWODYSJYIY-WCBMZHEXSA-N 0 0 249.270 2.296 20 5 BEBDRN Cc1ccnc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c1[N+](=O)[O-] ZINC000158716999 179457570 /nfs/dbraw/zinc/45/75/70/179457570.db2.gz KESTZWADQCIXBB-BBBLOLIVSA-N 0 0 249.270 2.030 20 5 BEBDRN C[C@H]1CCN1c1c(Cl)cncc1[N+](=O)[O-] ZINC000596088334 348443575 /nfs/dbraw/zinc/44/35/75/348443575.db2.gz OOKDPWSNHTWUAZ-LURJTMIESA-N 0 0 227.651 2.242 20 5 BEBDRN O=c1[nH]ccc(NC[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000596095115 348444993 /nfs/dbraw/zinc/44/49/93/348444993.db2.gz YVMNDHMIOADAJZ-VIFPVBQESA-N 0 0 249.270 2.464 20 5 BEBDRN CC(C)[C@@H](C)CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596135533 348447785 /nfs/dbraw/zinc/44/77/85/348447785.db2.gz VQSQJBQHLGNSBG-QMMMGPOBSA-N 0 0 239.275 2.399 20 5 BEBDRN Cc1cc(NCC(C)(C)CO)c([N+](=O)[O-])s1 ZINC000596167163 348460578 /nfs/dbraw/zinc/46/05/78/348460578.db2.gz FPCHIGXIEPXBIN-UHFFFAOYSA-N 0 0 244.316 2.395 20 5 BEBDRN O=c1[nH]ccc(N[C@H]2CC23CCCC3)c1[N+](=O)[O-] ZINC000596210744 348466859 /nfs/dbraw/zinc/46/68/59/348466859.db2.gz PUSSWPFTNVJBQM-VIFPVBQESA-N 0 0 249.270 2.440 20 5 BEBDRN Cc1cc(N(C)Cc2c[nH]cn2)ccc1[N+](=O)[O-] ZINC000596307490 348492778 /nfs/dbraw/zinc/49/27/78/348492778.db2.gz YGBHSRWSXMFNLR-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN CC(C)=CCCn1c(C)ccc([N+](=O)[O-])c1=O ZINC000596269679 348480926 /nfs/dbraw/zinc/48/09/26/348480926.db2.gz YCMPOGMHWOEEAG-UHFFFAOYSA-N 0 0 236.271 2.421 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@]12C[C@@H]1CCC2 ZINC000596317676 348505913 /nfs/dbraw/zinc/50/59/13/348505913.db2.gz SPFXXHYCHSYLJN-KWQFWETISA-N 0 0 219.244 2.344 20 5 BEBDRN COCCN(CCF)c1ccccc1[N+](=O)[O-] ZINC000596446783 348550744 /nfs/dbraw/zinc/55/07/44/348550744.db2.gz NWBQIMIZDSZRKI-UHFFFAOYSA-N 0 0 242.250 2.017 20 5 BEBDRN C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H](C)C1=O ZINC000596446666 348550812 /nfs/dbraw/zinc/55/08/12/348550812.db2.gz IQBJSRYGOCKWNK-NXEZZACHSA-N 0 0 248.282 2.256 20 5 BEBDRN CC1(C)CC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596554213 348577262 /nfs/dbraw/zinc/57/72/62/348577262.db2.gz WPSNDQDJTRBFCR-UHFFFAOYSA-N 0 0 237.259 2.296 20 5 BEBDRN Cc1cccc(NCCOCCF)c1[N+](=O)[O-] ZINC000596568696 348580736 /nfs/dbraw/zinc/58/07/36/348580736.db2.gz BLDNFMZZPMBWLD-UHFFFAOYSA-N 0 0 242.250 2.301 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1NCCOCCF ZINC000596568692 348580900 /nfs/dbraw/zinc/58/09/00/348580900.db2.gz BKWAQVJQQGVJSR-UHFFFAOYSA-N 0 0 246.213 2.132 20 5 BEBDRN CN(C[C@H]1CC1(C)C)c1cccnc1[N+](=O)[O-] ZINC000596567468 348580988 /nfs/dbraw/zinc/58/09/88/348580988.db2.gz OGBUTJIDHRMKNX-SECBINFHSA-N 0 0 235.287 2.472 20 5 BEBDRN C[C@@]1(CNc2ccc([N+](=O)[O-])nc2)CC1(F)F ZINC000596475732 348554358 /nfs/dbraw/zinc/55/43/58/348554358.db2.gz CMDMLSJFDVRIMB-VIFPVBQESA-N 0 0 243.213 2.447 20 5 BEBDRN C[C@@]1(CNc2cccnc2[N+](=O)[O-])CC1(F)F ZINC000596477101 348555544 /nfs/dbraw/zinc/55/55/44/348555544.db2.gz MIACCHHFOBYBJT-VIFPVBQESA-N 0 0 243.213 2.447 20 5 BEBDRN C[C@]1(CNc2ccc([N+](=O)[O-])cn2)CC1(F)F ZINC000596477137 348555594 /nfs/dbraw/zinc/55/55/94/348555594.db2.gz MNJFIWVJIWSBKX-SECBINFHSA-N 0 0 243.213 2.447 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NCC1=CCCC1 ZINC000596523291 348564025 /nfs/dbraw/zinc/56/40/25/348564025.db2.gz YWZZRZXOEKAFMA-UHFFFAOYSA-N 0 0 233.271 2.242 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3C[C@@H]3C2)n1 ZINC000596510486 348573080 /nfs/dbraw/zinc/57/30/80/348573080.db2.gz MAMQYTCOYFRADV-GHMZBOCLSA-N 0 0 247.298 2.453 20 5 BEBDRN Cc1ccc(N[C@H]2CO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000401902012 348651164 /nfs/dbraw/zinc/65/11/64/348651164.db2.gz FVASMFUMEGWDTQ-NXEZZACHSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cnc(NC[C@@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000127299951 179635654 /nfs/dbraw/zinc/63/56/54/179635654.db2.gz HRDZNYBNYCPHAC-BDAKNGLRSA-N 0 0 221.260 2.366 20 5 BEBDRN Cc1cnc(N[C@@H](C)c2ccon2)c([N+](=O)[O-])c1 ZINC000353272084 179638819 /nfs/dbraw/zinc/63/88/19/179638819.db2.gz ZXXZYMSBZDUJJF-QMMMGPOBSA-N 0 0 248.242 2.459 20 5 BEBDRN CC(C)[C@H](O)CNc1sccc1[N+](=O)[O-] ZINC000308840108 348772179 /nfs/dbraw/zinc/77/21/79/348772179.db2.gz JTJOJDTUEUFZRW-MRVPVSSYSA-N 0 0 230.289 2.085 20 5 BEBDRN O=C(N[C@@]12C[C@@H]1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000597884733 348833186 /nfs/dbraw/zinc/83/31/86/348833186.db2.gz QMAJTHNAXFZHIC-GWCFXTLKSA-N 0 0 246.266 2.267 20 5 BEBDRN CC(C)(F)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000601688118 350001066 /nfs/dbraw/zinc/00/10/66/350001066.db2.gz HSMKJWUHWIINPP-UHFFFAOYSA-N 0 0 240.234 2.073 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]2C[C@H]2C1 ZINC000598332447 348926881 /nfs/dbraw/zinc/92/68/81/348926881.db2.gz TWZVKFNJTLJYCG-QWRGUYRKSA-N 0 0 246.266 2.077 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC(CC3CC3)C2)nc1 ZINC000598643979 349008567 /nfs/dbraw/zinc/00/85/67/349008567.db2.gz YWSCEYZSLSMUCI-UHFFFAOYSA-N 0 0 233.271 2.226 20 5 BEBDRN Cc1nc(NCC2CC(C)C2)ccc1[N+](=O)[O-] ZINC000598644000 349008702 /nfs/dbraw/zinc/00/87/02/349008702.db2.gz VGTDKVYTAFQPIA-UHFFFAOYSA-N 0 0 235.287 2.178 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H](F)C2)s1 ZINC000308903597 349061165 /nfs/dbraw/zinc/06/11/65/349061165.db2.gz KGYKPTCKWRTKTH-NTSWFWBYSA-N 0 0 231.252 2.354 20 5 BEBDRN C[C@]1(CNc2ncc([N+](=O)[O-])cn2)C[C@H]2C[C@H]2C1 ZINC000599172734 349111560 /nfs/dbraw/zinc/11/15/60/349111560.db2.gz SIMPNNRCCJJQQP-GDGBQDQQSA-N 0 0 248.286 2.233 20 5 BEBDRN CO[C@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000308926295 349130987 /nfs/dbraw/zinc/13/09/87/349130987.db2.gz IGXSQUUGLONHSG-NKWVEPMBSA-N 0 0 230.289 2.492 20 5 BEBDRN C[C@@H](CO)Sc1c(Cl)cncc1[N+](=O)[O-] ZINC000308938906 349170287 /nfs/dbraw/zinc/17/02/87/349170287.db2.gz DNNZISRUOAQSKI-YFKPBYRVSA-N 0 0 248.691 2.116 20 5 BEBDRN Cc1cc(SCCO)c(F)cc1[N+](=O)[O-] ZINC000308980270 349262088 /nfs/dbraw/zinc/26/20/88/349262088.db2.gz DORHAPPKRKZBPN-UHFFFAOYSA-N 0 0 231.248 2.127 20 5 BEBDRN Cc1noc(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000160993913 349354552 /nfs/dbraw/zinc/35/45/52/349354552.db2.gz PQIGRZBDROSOEF-UHFFFAOYSA-N 0 0 233.227 2.185 20 5 BEBDRN CCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2C)[nH]1 ZINC000601942043 349393423 /nfs/dbraw/zinc/39/34/23/349393423.db2.gz GNXKWVKYRUGJLI-UHFFFAOYSA-N 0 0 247.254 2.406 20 5 BEBDRN C[C@@H](O)CCCNc1ccsc1[N+](=O)[O-] ZINC000309037308 349370463 /nfs/dbraw/zinc/37/04/63/349370463.db2.gz IYVLZVCXYJXFOV-SSDOTTSWSA-N 0 0 230.289 2.229 20 5 BEBDRN Cc1nc(N2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000150955562 180002222 /nfs/dbraw/zinc/00/22/22/180002222.db2.gz WBSLTFSNZJLEMT-MRVPVSSYSA-N 0 0 221.260 2.287 20 5 BEBDRN Cc1nc(NC(=O)C2CCCC2)ccc1[N+](=O)[O-] ZINC000175679506 180005057 /nfs/dbraw/zinc/00/50/57/180005057.db2.gz GPAKKDWNINDQTQ-UHFFFAOYSA-N 0 0 249.270 2.427 20 5 BEBDRN Cc1nc(NC2(C)CCC2)ncc1[N+](=O)[O-] ZINC000297382052 180015779 /nfs/dbraw/zinc/01/57/79/180015779.db2.gz DMTJAUQTRCNQCN-UHFFFAOYSA-N 0 0 222.248 2.048 20 5 BEBDRN Cc1nc(NCCc2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000271739884 180019552 /nfs/dbraw/zinc/01/95/52/180019552.db2.gz PHPPXIRMAHYRBN-UHFFFAOYSA-N 0 0 246.270 2.281 20 5 BEBDRN Cc1nc(NC[C@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000131240008 180020710 /nfs/dbraw/zinc/02/07/10/180020710.db2.gz JCTIVIYIHFNXJA-IONNQARKSA-N 0 0 221.260 2.366 20 5 BEBDRN Cc1nc(N[C@H]2CC=CCC2)ncc1[N+](=O)[O-] ZINC000297225193 180025776 /nfs/dbraw/zinc/02/57/76/180025776.db2.gz SXZREKIITSFIQQ-VIFPVBQESA-N 0 0 234.259 2.214 20 5 BEBDRN Cc1nc(SC[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000161561648 180031412 /nfs/dbraw/zinc/03/14/12/180031412.db2.gz DYHHAFPCQABREZ-SSDOTTSWSA-N 0 0 242.300 2.019 20 5 BEBDRN Cc1nc(S[C@@H](C)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000230185765 180033774 /nfs/dbraw/zinc/03/37/74/180033774.db2.gz KOQDNLSDMAZNSM-YUMQZZPRSA-N 0 0 242.300 2.160 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnoc1 ZINC000604542449 350145829 /nfs/dbraw/zinc/14/58/29/350145829.db2.gz BICYTTUPNNWKOS-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN CC(C)[C@H](CO)CNc1sccc1[N+](=O)[O-] ZINC000309315284 350310207 /nfs/dbraw/zinc/31/02/07/350310207.db2.gz CWNKVBNPSJLFQM-QMMMGPOBSA-N 0 0 244.316 2.333 20 5 BEBDRN Cc1nn([C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000294360386 180392713 /nfs/dbraw/zinc/39/27/13/180392713.db2.gz ZYVBWVINKSXVPG-VIFPVBQESA-N 0 0 232.243 2.104 20 5 BEBDRN Cc1nn([C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000294113679 180393480 /nfs/dbraw/zinc/39/34/80/180393480.db2.gz DCIGIKFBDWFZFQ-RXMQYKEDSA-N 0 0 223.154 2.223 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H](CO)CC2CC2)s1 ZINC000309505969 350678925 /nfs/dbraw/zinc/67/89/25/350678925.db2.gz NDYXKDMKRQRBGQ-QMMMGPOBSA-N 0 0 242.300 2.229 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]2C(F)F)nc1 ZINC000343922323 351007976 /nfs/dbraw/zinc/00/79/76/351007976.db2.gz UBLNNNWKQBJYLY-QMMMGPOBSA-N 0 0 243.213 2.224 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(C(=O)OC(C)C)c1 ZINC000063236729 351291468 /nfs/dbraw/zinc/29/14/68/351291468.db2.gz JWTWYKPYZDXKOC-UHFFFAOYSA-N 0 0 239.227 2.169 20 5 BEBDRN CN(Cc1ncc[nH]1)c1ccsc1[N+](=O)[O-] ZINC000617451028 351367531 /nfs/dbraw/zinc/36/75/31/351367531.db2.gz IYTQPEQMHKPKMY-UHFFFAOYSA-N 0 0 238.272 2.016 20 5 BEBDRN CC[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)[C@H](C)O ZINC000386705925 363029685 /nfs/dbraw/zinc/02/96/85/363029685.db2.gz OEJWAFOJFCZWGU-ONGXEEELSA-N 0 0 238.287 2.475 20 5 BEBDRN O=Cc1ccc([N+](=O)[O-])c(OCC2CC2)c1 ZINC000050517468 187634590 /nfs/dbraw/zinc/63/45/90/187634590.db2.gz HYRDSWADOTVZSI-UHFFFAOYSA-N 0 0 221.212 2.196 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC[C@@H]1C[C@H]1C1CCC1 ZINC000425286706 191171219 /nfs/dbraw/zinc/17/12/19/191171219.db2.gz UTTXCNSMMTUSHN-QWRGUYRKSA-N 0 0 247.298 2.260 20 5 BEBDRN Cc1cc(C(=O)N2C[C@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000294146532 187697819 /nfs/dbraw/zinc/69/78/19/187697819.db2.gz ONDUBVVIMVDERE-VHSXEESVSA-N 0 0 248.282 2.384 20 5 BEBDRN O=[N+]([O-])c1ccc(S[C@@H]2CCCOC2)nc1 ZINC000269468672 188024281 /nfs/dbraw/zinc/02/42/81/188024281.db2.gz ZNZFYIWJUMVERO-SECBINFHSA-N 0 0 240.284 2.261 20 5 BEBDRN CC(C)C[C@@H](C)Cn1nccc1[N+](=O)[O-] ZINC000281099422 188032390 /nfs/dbraw/zinc/03/23/90/188032390.db2.gz YCQXLDSRXPMSHR-SECBINFHSA-N 0 0 211.265 2.474 20 5 BEBDRN CC(C)C[C@@H](C)Cn1ncc([N+](=O)[O-])c1N ZINC000281258552 188032660 /nfs/dbraw/zinc/03/26/60/188032660.db2.gz HGZXSKKXJDUBMZ-MRVPVSSYSA-N 0 0 226.280 2.056 20 5 BEBDRN CC(C)C[C@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000224294549 188253902 /nfs/dbraw/zinc/25/39/02/188253902.db2.gz DJYKBGJUOVQGFH-JTQLQIEISA-N 0 0 238.287 2.414 20 5 BEBDRN CC(C)(O)CCOc1ccc([N+](=O)[O-])cc1F ZINC000081676436 188270475 /nfs/dbraw/zinc/27/04/75/188270475.db2.gz VPUFCAINZDTVSG-UHFFFAOYSA-N 0 0 243.234 2.274 20 5 BEBDRN Cc1ccc(NCC(C)(C)O)c([N+](=O)[O-])c1 ZINC000083466523 188316842 /nfs/dbraw/zinc/31/68/42/188316842.db2.gz WDEGAODUYYPOOL-UHFFFAOYSA-N 0 0 224.260 2.086 20 5 BEBDRN CC1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000044368143 188326163 /nfs/dbraw/zinc/32/61/63/188326163.db2.gz CUEWBHCXFYZWFS-QMMMGPOBSA-N 0 0 207.233 2.200 20 5 BEBDRN Cc1c(CC(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000158110349 188333807 /nfs/dbraw/zinc/33/38/07/188333807.db2.gz RVLQXGSIODNWMD-UHFFFAOYSA-N 0 0 248.282 2.068 20 5 BEBDRN C/C=C(\C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270784508 188376238 /nfs/dbraw/zinc/37/62/38/188376238.db2.gz SBDDANCXHSWZQE-XCVCLJGOSA-N 0 0 248.282 2.220 20 5 BEBDRN CCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000192958626 353567969 /nfs/dbraw/zinc/56/79/69/353567969.db2.gz OSRSIUAPGAGSLJ-UHFFFAOYSA-N 0 0 234.255 2.219 20 5 BEBDRN Cc1cc(N2CC(CF)C2)c(F)cc1[N+](=O)[O-] ZINC000334577555 354120162 /nfs/dbraw/zinc/12/01/62/354120162.db2.gz GECLMEINNCLFRG-UHFFFAOYSA-N 0 0 242.225 2.448 20 5 BEBDRN Cc1cccc(C(=O)N[C@@H]2CC[C@H]2C)c1[N+](=O)[O-] ZINC000335948819 134020786 /nfs/dbraw/zinc/02/07/86/134020786.db2.gz HONHOBXYSYTFOR-LDYMZIIASA-N 0 0 248.282 2.432 20 5 BEBDRN O=C(COc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC001640679029 1172182530 /nfs/dbraw/zinc/18/25/30/1172182530.db2.gz YPPCFHXHPRDBAG-UHFFFAOYSA-N 0 0 247.206 2.450 20 5 BEBDRN O=[N+]([O-])c1ccc(OCc2cnsn2)cc1 ZINC001640674524 1172183919 /nfs/dbraw/zinc/18/39/19/1172183919.db2.gz ASRIAHPTKKBYAW-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN Cc1nn([C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000413004380 191337136 /nfs/dbraw/zinc/33/71/36/191337136.db2.gz SRBBYDZWDBVUOB-VIFPVBQESA-N 0 0 239.275 2.230 20 5 BEBDRN CC(C)[C@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000413005599 191337782 /nfs/dbraw/zinc/33/77/82/191337782.db2.gz ZLZWQBPCYSXZDK-SECBINFHSA-N 0 0 242.300 2.099 20 5 BEBDRN COCC[C@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000413490977 191388450 /nfs/dbraw/zinc/38/84/50/191388450.db2.gz JJEGGFRRAXYEIC-VIFPVBQESA-N 0 0 239.275 2.074 20 5 BEBDRN CS[C@H](C)CNc1ncc([N+](=O)[O-])cc1F ZINC000413197146 191362815 /nfs/dbraw/zinc/36/28/15/191362815.db2.gz FOGNBZNYFGUUJX-ZCFIWIBFSA-N 0 0 245.279 2.292 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CCC[C@H]2F)c(F)c1 ZINC000413289625 191368913 /nfs/dbraw/zinc/36/89/13/191368913.db2.gz AEFOCLPGBRAKAT-APPZFPTMSA-N 0 0 243.213 2.431 20 5 BEBDRN C[C@H](F)CCNc1ncc([N+](=O)[O-])cc1F ZINC000413294514 191369414 /nfs/dbraw/zinc/36/94/14/191369414.db2.gz IHYHBAGTNGUGFU-LURJTMIESA-N 0 0 231.202 2.289 20 5 BEBDRN CSCCCSc1c([N+](=O)[O-])ncn1C ZINC000413321831 191372898 /nfs/dbraw/zinc/37/28/98/191372898.db2.gz BPNLGNWOIIDGDZ-UHFFFAOYSA-N 0 0 247.345 2.174 20 5 BEBDRN CC(C)[C@@H]1C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000413429801 191378815 /nfs/dbraw/zinc/37/88/15/191378815.db2.gz CKVHAHIPHHEYTC-DTWKUNHWSA-N 0 0 221.260 2.446 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCCS2)cn1 ZINC000087475342 355288821 /nfs/dbraw/zinc/28/88/21/355288821.db2.gz SMFGJKAIRUGQJZ-VIFPVBQESA-N 0 0 239.300 2.297 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(NCCSC)c1 ZINC000087544394 355366269 /nfs/dbraw/zinc/36/62/69/355366269.db2.gz FZZREQIXNDRQNT-UHFFFAOYSA-N 0 0 242.300 2.378 20 5 BEBDRN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000335827399 355552638 /nfs/dbraw/zinc/55/26/38/355552638.db2.gz DZWSMSPMHNJXRQ-NSHDSACASA-N 0 0 248.282 2.465 20 5 BEBDRN CC1(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000335832344 355559029 /nfs/dbraw/zinc/55/90/29/355559029.db2.gz GPMZZKDXSXYEPS-UHFFFAOYSA-N 0 0 238.218 2.473 20 5 BEBDRN NC(=O)CSCc1cccc([N+](=O)[O-])c1 ZINC000328579515 181202931 /nfs/dbraw/zinc/20/29/31/181202931.db2.gz MZODGTJYHPICLG-UHFFFAOYSA-N 0 0 226.257 2.363 20 5 BEBDRN C[C@H]1C[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000053104046 355808095 /nfs/dbraw/zinc/80/80/95/355808095.db2.gz JNKVYBDJXTZIBH-NKWVEPMBSA-N 0 0 240.284 2.042 20 5 BEBDRN Cc1cc(N[C@@H](C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000087818655 355900955 /nfs/dbraw/zinc/90/09/55/355900955.db2.gz VQHMRGGALSDPFY-VIFPVBQESA-N 0 0 238.287 2.475 20 5 BEBDRN CCNc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000087841276 356080160 /nfs/dbraw/zinc/08/01/60/356080160.db2.gz CZYZDTRGWYLNES-UHFFFAOYSA-N 0 0 225.248 2.209 20 5 BEBDRN CC(=O)[C@H](C)CSc1ncccc1[N+](=O)[O-] ZINC000267991013 356469266 /nfs/dbraw/zinc/46/92/66/356469266.db2.gz JEVPNEKVCGYJKZ-SSDOTTSWSA-N 0 0 240.284 2.307 20 5 BEBDRN CN(Cc1ccon1)c1ccccc1[N+](=O)[O-] ZINC000352248017 134118769 /nfs/dbraw/zinc/11/87/69/134118769.db2.gz UUSSRFQMRIZPCE-UHFFFAOYSA-N 0 0 233.227 2.219 20 5 BEBDRN Cc1nc(N[C@@H](C)CC2CC2)ncc1[N+](=O)[O-] ZINC000450328364 202129933 /nfs/dbraw/zinc/12/99/33/202129933.db2.gz HJIJVTUEZCDHLA-ZETCQYMHSA-N 0 0 236.275 2.294 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](F)C2)n1 ZINC000450603222 202209725 /nfs/dbraw/zinc/20/97/25/202209725.db2.gz GIVFYGQBMMLLRE-SECBINFHSA-N 0 0 239.250 2.155 20 5 BEBDRN CC(C)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351148677 357163069 /nfs/dbraw/zinc/16/30/69/357163069.db2.gz QHOGEDJTJVMLLM-UHFFFAOYSA-N 0 0 223.188 2.361 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC=CCC1 ZINC000618470713 357193523 /nfs/dbraw/zinc/19/35/23/357193523.db2.gz RGKYHDIICTVCKH-UHFFFAOYSA-N 0 0 246.266 2.305 20 5 BEBDRN CC[C@H]1C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000234138051 357776025 /nfs/dbraw/zinc/77/60/25/357776025.db2.gz MDSZBHJLLQKOKY-NTSWFWBYSA-N 0 0 213.262 2.262 20 5 BEBDRN COCC1(C)CN(c2sccc2[N+](=O)[O-])C1 ZINC000618983863 357997480 /nfs/dbraw/zinc/99/74/80/357997480.db2.gz CGIXJQREUXNPNT-UHFFFAOYSA-N 0 0 242.300 2.129 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC(C)(C)C2)n1 ZINC000618984046 357997587 /nfs/dbraw/zinc/99/75/87/357997587.db2.gz UQZCTIYCANZCEJ-UHFFFAOYSA-N 0 0 235.287 2.453 20 5 BEBDRN Cc1cc(C(=O)N2CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000619146609 358003937 /nfs/dbraw/zinc/00/39/37/358003937.db2.gz CUVCSJYESXGKPA-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN O=[N+]([O-])c1cccc(OCC[C@H]2CCOC2)c1 ZINC000450618934 202213486 /nfs/dbraw/zinc/21/34/86/202213486.db2.gz IVYLWMLIVLLPPW-SNVBAGLBSA-N 0 0 237.255 2.400 20 5 BEBDRN CC(C)C[C@@H]1C[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000385444233 358171251 /nfs/dbraw/zinc/17/12/51/358171251.db2.gz IAJUKFFKRBXCQE-RKDXNWHRSA-N 0 0 238.291 2.175 20 5 BEBDRN Cc1cc(N2CC(C)(F)C2)ccc1[N+](=O)[O-] ZINC000619500663 358580892 /nfs/dbraw/zinc/58/08/92/358580892.db2.gz WBWTVMZOJHQCKG-UHFFFAOYSA-N 0 0 224.235 2.451 20 5 BEBDRN Cc1nc(NC[C@@H]2C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000450804536 202269930 /nfs/dbraw/zinc/26/99/30/202269930.db2.gz AXSQLPTZZFLBHY-QWRGUYRKSA-N 0 0 249.314 2.424 20 5 BEBDRN Cc1nn([C@H]2C[C@H](C)CCC2=O)cc1[N+](=O)[O-] ZINC000450960004 202320939 /nfs/dbraw/zinc/32/09/39/202320939.db2.gz OAXLALJWCJCMIZ-APPZFPTMSA-N 0 0 237.259 2.030 20 5 BEBDRN Cc1nn([C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000450967270 202323070 /nfs/dbraw/zinc/32/30/70/202323070.db2.gz ZXAFACVJWIJNBG-DIYOJNKTSA-N 0 0 239.275 2.228 20 5 BEBDRN CN(c1ncc([N+](=O)[O-])cn1)C1CC(C)(C)C1 ZINC000578498081 366580425 /nfs/dbraw/zinc/58/04/25/366580425.db2.gz JWZDKLYJTJBYEG-UHFFFAOYSA-N 0 0 236.275 2.010 20 5 BEBDRN CCc1nn(C)c(NC[C@H](C)CC)c1[N+](=O)[O-] ZINC000091560266 360119796 /nfs/dbraw/zinc/11/97/96/360119796.db2.gz UBRXQTRDDUJJTD-MRVPVSSYSA-N 0 0 240.307 2.349 20 5 BEBDRN CC(C)(O)CCOc1cc(F)ccc1[N+](=O)[O-] ZINC000081676409 200664808 /nfs/dbraw/zinc/66/48/08/200664808.db2.gz LFLGJHKSQFZEIR-UHFFFAOYSA-N 0 0 243.234 2.274 20 5 BEBDRN Cc1nc(NC(=O)CC2(C)CC2)ccc1[N+](=O)[O-] ZINC000428502127 201026652 /nfs/dbraw/zinc/02/66/52/201026652.db2.gz HGNLISFFEYRMFN-UHFFFAOYSA-N 0 0 249.270 2.427 20 5 BEBDRN C[C@H]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cn2)C1 ZINC000428661667 201031854 /nfs/dbraw/zinc/03/18/54/201031854.db2.gz UWYZFKCWZIRDNL-IUCAKERBSA-N 0 0 236.275 2.010 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)CC(F)F)cc1 ZINC000428670926 201033864 /nfs/dbraw/zinc/03/38/64/201033864.db2.gz NGZVFYSFBUEGIW-MRVPVSSYSA-N 0 0 246.213 2.023 20 5 BEBDRN Cc1cc(N2CC=CC2)c(F)cc1[N+](=O)[O-] ZINC000579362414 366769763 /nfs/dbraw/zinc/76/97/63/366769763.db2.gz SOGBZXOSFLMFKF-UHFFFAOYSA-N 0 0 222.219 2.419 20 5 BEBDRN CC(C)(C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000027366805 363971643 /nfs/dbraw/zinc/97/16/43/363971643.db2.gz YKVWNDIXNIHKMQ-UHFFFAOYSA-N 0 0 240.259 2.354 20 5 BEBDRN Cc1cc(OCc2ccno2)ccc1[N+](=O)[O-] ZINC000073190756 364224451 /nfs/dbraw/zinc/22/44/51/364224451.db2.gz YOMPBTHVXUAFSP-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN Cc1nn(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000181826749 366849995 /nfs/dbraw/zinc/84/99/95/366849995.db2.gz SQYDJIOWIPLWNI-UHFFFAOYSA-N 0 0 217.228 2.148 20 5 BEBDRN CC[C@@H](O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000037695045 364526532 /nfs/dbraw/zinc/52/65/32/364526532.db2.gz VBWSGBBLBHBNBG-SECBINFHSA-N 0 0 225.244 2.053 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC(C)(C)C1 ZINC000619146792 364724966 /nfs/dbraw/zinc/72/49/66/364724966.db2.gz HQXWBNIHLFXIPE-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN CCOCCOc1cc(C)c([N+](=O)[O-])cc1F ZINC000185677509 367140878 /nfs/dbraw/zinc/14/08/78/367140878.db2.gz PQRMTRXOHMHFTB-UHFFFAOYSA-N 0 0 243.234 2.458 20 5 BEBDRN Cc1cc(Oc2cccnn2)ccc1[N+](=O)[O-] ZINC000580884895 367196088 /nfs/dbraw/zinc/19/60/88/367196088.db2.gz ULAJJNQKLLGMJU-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN Cc1nccn1CCOc1ccc([N+](=O)[O-])cc1 ZINC000195196708 367348970 /nfs/dbraw/zinc/34/89/70/367348970.db2.gz SDACVNPTBJCFNK-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN CCOCCOc1ccc([N+](=O)[O-])cc1OC ZINC000195196320 367349089 /nfs/dbraw/zinc/34/90/89/367349089.db2.gz MLHATAYVUVQYLA-UHFFFAOYSA-N 0 0 241.243 2.019 20 5 BEBDRN Cc1ccccc1Cn1cccc([N+](=O)[O-])c1=O ZINC000195524349 367366605 /nfs/dbraw/zinc/36/66/05/367366605.db2.gz SERBLWJZPVTVCL-UHFFFAOYSA-N 0 0 244.250 2.113 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H](F)C1 ZINC000581817564 367831219 /nfs/dbraw/zinc/83/12/19/367831219.db2.gz NKRVLEUPZJWIED-HTQZYQBOSA-N 0 0 242.254 2.021 20 5 BEBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000018207652 367961919 /nfs/dbraw/zinc/96/19/19/367961919.db2.gz ZUNGVASQJCELIF-LURJTMIESA-N 0 0 240.284 2.185 20 5 BEBDRN CC[C@H](F)CSCc1c([N+](=O)[O-])ncn1C ZINC000442558702 201575316 /nfs/dbraw/zinc/57/53/16/201575316.db2.gz SDVILMLCFKKNOM-ZETCQYMHSA-N 0 0 247.295 2.310 20 5 BEBDRN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000349235250 368141171 /nfs/dbraw/zinc/14/11/71/368141171.db2.gz BPKYWHKSRICFKD-VIFPVBQESA-N 0 0 247.254 2.434 20 5 BEBDRN C[C@H](F)CCOc1ccc([N+](=O)[O-])c(CO)c1 ZINC000349236170 368142047 /nfs/dbraw/zinc/14/20/47/368142047.db2.gz VUNQXWUNYYNIGR-QMMMGPOBSA-N 0 0 243.234 2.214 20 5 BEBDRN Cc1cnc(Sc2ncco2)c([N+](=O)[O-])c1 ZINC000444865683 201639569 /nfs/dbraw/zinc/63/95/69/201639569.db2.gz QITVFSLSLMKABD-UHFFFAOYSA-N 0 0 237.240 2.437 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(N2CC[C@@H](F)C2)c1 ZINC000450601706 201641610 /nfs/dbraw/zinc/64/16/10/201641610.db2.gz PZRYLDHFKVLNBW-MRVPVSSYSA-N 0 0 240.234 2.152 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(Oc2cnccn2)c1 ZINC001642464315 1172364362 /nfs/dbraw/zinc/36/43/62/1172364362.db2.gz JAWUWUWABLKUDT-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN COCCCN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000066372155 368646149 /nfs/dbraw/zinc/64/61/49/368646149.db2.gz NZBFGPPUISSBPX-UHFFFAOYSA-N 0 0 242.250 2.207 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1CC1CCCCC1 ZINC000071073413 368769575 /nfs/dbraw/zinc/76/95/75/368769575.db2.gz YZIAVHCGPBOZHN-UHFFFAOYSA-N 0 0 236.271 2.337 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000069524534 370946737 /nfs/dbraw/zinc/94/67/37/370946737.db2.gz SFVTVMKKUVBQFE-OIBJUYFYSA-N 0 0 220.228 2.189 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C(C)(C)O)c1 ZINC000122922997 368954984 /nfs/dbraw/zinc/95/49/84/368954984.db2.gz FWKGMVOWVIJULZ-VIFPVBQESA-N 0 0 238.287 2.475 20 5 BEBDRN O=[N+]([O-])c1ccc(SCc2ccno2)nc1 ZINC000533447667 370972383 /nfs/dbraw/zinc/97/23/83/370972383.db2.gz RTJIFKNDYKWXTE-UHFFFAOYSA-N 0 0 237.240 2.270 20 5 BEBDRN C[C@H](CO)Sc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153871043 369970777 /nfs/dbraw/zinc/97/07/77/369970777.db2.gz SDVVHLABZCMNIP-RXMQYKEDSA-N 0 0 248.691 2.116 20 5 BEBDRN O=[N+]([O-])c1sccc1NCC[C@H]1CCOC1 ZINC000309540747 370224639 /nfs/dbraw/zinc/22/46/39/370224639.db2.gz YFJNZEQQOQCHBA-QMMMGPOBSA-N 0 0 242.300 2.495 20 5 BEBDRN COCCCOc1cc([N+](=O)[O-])ccc1C ZINC000113094654 370377777 /nfs/dbraw/zinc/37/77/77/370377777.db2.gz SOTWXFMYQBDXCS-UHFFFAOYSA-N 0 0 225.244 2.319 20 5 BEBDRN CC1(CNc2ccc(N)c([N+](=O)[O-])n2)CCC1 ZINC000310478547 370347617 /nfs/dbraw/zinc/34/76/17/370347617.db2.gz DEWKQUDXLOMHFP-UHFFFAOYSA-N 0 0 236.275 2.174 20 5 BEBDRN Cc1noc(-c2ccc([N+](=O)[O-])cc2C)n1 ZINC000349769565 370429329 /nfs/dbraw/zinc/42/93/29/370429329.db2.gz GXHPNXRHHHVCRV-UHFFFAOYSA-N 0 0 219.200 2.262 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCc2ccno2)c1 ZINC000078282611 370548381 /nfs/dbraw/zinc/54/83/81/370548381.db2.gz VXWNUMXWVVMJER-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@H]1C[C@H]1C(F)(F)F ZINC000619698041 370582228 /nfs/dbraw/zinc/58/22/28/370582228.db2.gz KUAJOEPPCPUGRA-PHDIDXHHSA-N 0 0 247.176 2.353 20 5 BEBDRN CC(C)C1CN(c2ncc([N+](=O)[O-])s2)C1 ZINC000619697192 370582261 /nfs/dbraw/zinc/58/22/61/370582261.db2.gz VDUGQXMJQMCVQN-UHFFFAOYSA-N 0 0 227.289 2.144 20 5 BEBDRN COCCCCCNc1ccncc1[N+](=O)[O-] ZINC000066811246 370612135 /nfs/dbraw/zinc/61/21/35/370612135.db2.gz CKMNXGWLROSYNX-UHFFFAOYSA-N 0 0 239.275 2.218 20 5 BEBDRN CN(Cc1ccccn1)c1ccncc1[N+](=O)[O-] ZINC000066810231 370612387 /nfs/dbraw/zinc/61/23/87/370612387.db2.gz NQOBQKKMCLNRPT-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OC(C)C ZINC000070287093 371020644 /nfs/dbraw/zinc/02/06/44/371020644.db2.gz SBXDORJTKRYCOC-UHFFFAOYSA-N 0 0 223.228 2.468 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCc1cscn1 ZINC000157014029 371515442 /nfs/dbraw/zinc/51/54/42/371515442.db2.gz GKKAFZSVGAWFCX-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN CSCc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351143197 371609591 /nfs/dbraw/zinc/60/95/91/371609591.db2.gz FSERWWRVVOLYNM-UHFFFAOYSA-N 0 0 241.228 2.101 20 5 BEBDRN C[C@@H]1C[C@@H]1Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351141556 371610201 /nfs/dbraw/zinc/61/02/01/371610201.db2.gz CTBFDUPYNAFYOW-RNFRBKRXSA-N 0 0 249.226 2.436 20 5 BEBDRN C[C@@H](CF)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000351205085 371613475 /nfs/dbraw/zinc/61/34/75/371613475.db2.gz QZIORHVLPSCJNF-ZETCQYMHSA-N 0 0 241.222 2.074 20 5 BEBDRN C[C@H]1C[C@H]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000600527373 371680350 /nfs/dbraw/zinc/68/03/50/371680350.db2.gz OIYUWTGCJIRWAO-YUMQZZPRSA-N 0 0 248.238 2.159 20 5 BEBDRN C/C=C/CNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000600490782 371674333 /nfs/dbraw/zinc/67/43/33/371674333.db2.gz LVIWPQLHTDEYSI-ONEGZZNKSA-N 0 0 248.282 2.138 20 5 BEBDRN C/C=C/CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000600490664 371674401 /nfs/dbraw/zinc/67/44/01/371674401.db2.gz KDLMYYMDIAQSHR-ONEGZZNKSA-N 0 0 234.255 2.209 20 5 BEBDRN O=[N+]([O-])c1cn(C[C@@H]2C[C@H]3C=C[C@@H]2C3)cn1 ZINC000600514128 371678485 /nfs/dbraw/zinc/67/84/85/371678485.db2.gz HEWZMYXOXYTCOT-AEJSXWLSSA-N 0 0 219.244 2.004 20 5 BEBDRN C[C@@H]1C[C@@H]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000600517761 371678489 /nfs/dbraw/zinc/67/84/89/371678489.db2.gz YJBPETGTDIAAJG-HTQZYQBOSA-N 0 0 248.238 2.159 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H](CO)C1 ZINC000601212286 371738767 /nfs/dbraw/zinc/73/87/67/371738767.db2.gz XSEJQBIPIXXRAO-AOOOYVTPSA-N 0 0 236.271 2.086 20 5 BEBDRN O=c1[nH]ccc(N[C@H]2CCCC23CC3)c1[N+](=O)[O-] ZINC000601210356 371739302 /nfs/dbraw/zinc/73/93/02/371739302.db2.gz PYJKOWVWGWYSDR-VIFPVBQESA-N 0 0 249.270 2.440 20 5 BEBDRN C[C@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000601123994 371727548 /nfs/dbraw/zinc/72/75/48/371727548.db2.gz BADGKTZDCDQJFB-YUMQZZPRSA-N 0 0 239.250 2.364 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CC12CC2 ZINC000601179360 371733645 /nfs/dbraw/zinc/73/36/45/371733645.db2.gz RNPWCQBZACEBNL-MRVPVSSYSA-N 0 0 223.207 2.093 20 5 BEBDRN COCC1CN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601186150 371735508 /nfs/dbraw/zinc/73/55/08/371735508.db2.gz JDZCXGUIACAKQC-UHFFFAOYSA-N 0 0 242.300 2.047 20 5 BEBDRN CC(C)(F)CNc1ccc([N+](=O)[O-])cn1 ZINC000601206196 371736989 /nfs/dbraw/zinc/73/69/89/371736989.db2.gz PNFRSIUYNZCGAK-UHFFFAOYSA-N 0 0 213.212 2.150 20 5 BEBDRN C[C@@H]1C[C@@H]1CSCCn1cc([N+](=O)[O-])cn1 ZINC000600644398 371691223 /nfs/dbraw/zinc/69/12/23/371691223.db2.gz GYQLDWFQXSWYOC-RKDXNWHRSA-N 0 0 241.316 2.181 20 5 BEBDRN Cc1ccnc(NCC(C)(C)F)c1[N+](=O)[O-] ZINC000601205755 371738470 /nfs/dbraw/zinc/73/84/70/371738470.db2.gz FZNGMPWWCSPDBE-UHFFFAOYSA-N 0 0 227.239 2.458 20 5 BEBDRN CCOCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000304311736 371777110 /nfs/dbraw/zinc/77/71/10/371777110.db2.gz DCEISXFXEDAHSP-UHFFFAOYSA-N 0 0 245.666 2.092 20 5 BEBDRN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H](C)C1 ZINC000601934609 371777724 /nfs/dbraw/zinc/77/77/24/371777724.db2.gz LZMOYICBMBISKP-QMMMGPOBSA-N 0 0 247.254 2.344 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N1N=C(C)CCC1=O ZINC000601942246 371778220 /nfs/dbraw/zinc/77/82/20/371778220.db2.gz JJGYRYYXSVNHHA-UHFFFAOYSA-N 0 0 247.254 2.406 20 5 BEBDRN CN(C(=O)C12CC(C1)C2)c1ccc([N+](=O)[O-])cc1 ZINC000602234651 371793798 /nfs/dbraw/zinc/79/37/98/371793798.db2.gz SFTYHUFZYBYIDH-UHFFFAOYSA-N 0 0 246.266 2.358 20 5 BEBDRN Cc1cc(N2CC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000216963115 371859359 /nfs/dbraw/zinc/85/93/59/371859359.db2.gz UCDHFXDESJSXDE-SECBINFHSA-N 0 0 224.235 2.451 20 5 BEBDRN CCC(F)(F)COc1cccnc1[N+](=O)[O-] ZINC000603306232 371882280 /nfs/dbraw/zinc/88/22/80/371882280.db2.gz WUVHMPAXIRWJAO-UHFFFAOYSA-N 0 0 232.186 2.414 20 5 BEBDRN CC(C)OC(=O)c1ccc([N+](=O)[O-])s1 ZINC000057465290 371840140 /nfs/dbraw/zinc/84/01/40/371840140.db2.gz WCRPKMJZGNVTKF-UHFFFAOYSA-N 0 0 215.230 2.222 20 5 BEBDRN CC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602796560 371840976 /nfs/dbraw/zinc/84/09/76/371840976.db2.gz CQSBHHLWSFQZPP-UHFFFAOYSA-N 0 0 248.282 2.148 20 5 BEBDRN Cc1ccccc1OCc1cn(C)nc1[N+](=O)[O-] ZINC000603420044 371892516 /nfs/dbraw/zinc/89/25/16/371892516.db2.gz HJCILQMCYKPPBX-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN C[C@H]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000230434758 371909577 /nfs/dbraw/zinc/90/95/77/371909577.db2.gz LRTLTBDEPLUWKD-DTWKUNHWSA-N 0 0 236.275 2.233 20 5 BEBDRN C[C@H]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000230434764 371909702 /nfs/dbraw/zinc/90/97/02/371909702.db2.gz LRTLTBDEPLUWKD-IUCAKERBSA-N 0 0 236.275 2.233 20 5 BEBDRN C[C@@H]1CC[C@@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000230434755 371909807 /nfs/dbraw/zinc/90/98/07/371909807.db2.gz LRTLTBDEPLUWKD-RKDXNWHRSA-N 0 0 236.275 2.233 20 5 BEBDRN CO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000218387886 372104408 /nfs/dbraw/zinc/10/44/08/372104408.db2.gz TZMKPSYWDLOBMU-LLVKDONJSA-N 0 0 236.271 2.128 20 5 BEBDRN O=C(COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000278126897 182002131 /nfs/dbraw/zinc/00/21/31/182002131.db2.gz MFDWGRAJARRDJX-UHFFFAOYSA-N 0 0 235.239 2.343 20 5 BEBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NCCC1CC1 ZINC000174686324 182043561 /nfs/dbraw/zinc/04/35/61/182043561.db2.gz CKEXHXYUIAQBBM-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN O=C(Cc1ccco1)Nc1cccc([N+](=O)[O-])c1 ZINC000359264840 182051091 /nfs/dbraw/zinc/05/10/91/182051091.db2.gz BGDANRNMANIVJL-UHFFFAOYSA-N 0 0 246.222 2.369 20 5 BEBDRN O=C(NC[C@H]1CC=CCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000330562680 182235492 /nfs/dbraw/zinc/23/54/92/182235492.db2.gz IUQFCJKNICZEBT-VIFPVBQESA-N 0 0 249.270 2.009 20 5 BEBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000048807262 182251170 /nfs/dbraw/zinc/25/11/70/182251170.db2.gz ZYJUDYZECHZJIR-UHFFFAOYSA-N 0 0 234.255 2.011 20 5 BEBDRN O=C(NCc1ccccc1[N+](=O)[O-])C1CC=CC1 ZINC000119610368 182258235 /nfs/dbraw/zinc/25/82/35/182258235.db2.gz PHLGWLXJKCYFHP-UHFFFAOYSA-N 0 0 246.266 2.177 20 5 BEBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CCC1 ZINC000057383131 182350041 /nfs/dbraw/zinc/35/00/41/182350041.db2.gz UCPWRRCYZULKFC-UHFFFAOYSA-N 0 0 238.218 2.473 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)C1CC=CC1 ZINC000077734050 182361437 /nfs/dbraw/zinc/36/14/37/182361437.db2.gz CZSBCJPJMMJALC-UHFFFAOYSA-N 0 0 232.239 2.500 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC1(F)F ZINC000294219984 182372477 /nfs/dbraw/zinc/37/24/77/182372477.db2.gz KHLHQYSJSAZQDH-MRVPVSSYSA-N 0 0 242.181 2.189 20 5 BEBDRN O=[N+]([O-])c1cnn(CC=C(Cl)Cl)c1 ZINC001643633836 1172482682 /nfs/dbraw/zinc/48/26/82/1172482682.db2.gz UZWLIDSKRYWKTD-UHFFFAOYSA-N 0 0 222.031 2.110 20 5 BEBDRN O=Cc1cc([N+](=O)[O-])ccc1OCC1CC1 ZINC000034957061 182862733 /nfs/dbraw/zinc/86/27/33/182862733.db2.gz YEFSGOXXLAXURU-UHFFFAOYSA-N 0 0 221.212 2.196 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(N2CC(F)C2)c(F)c1 ZINC000090558720 182923534 /nfs/dbraw/zinc/92/35/34/182923534.db2.gz WYVOEVCNJSXLFK-UHFFFAOYSA-N 0 0 232.161 2.031 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2C2CC2)nc1 ZINC000361811671 182933834 /nfs/dbraw/zinc/93/38/34/182933834.db2.gz CXYVVINYYOKECH-LLVKDONJSA-N 0 0 233.271 2.369 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H](C3CC3)C2)nc1 ZINC000374318984 182934255 /nfs/dbraw/zinc/93/42/55/182934255.db2.gz UMOFRKUOEYSERW-JTQLQIEISA-N 0 0 233.271 2.226 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2CC2)c([N+](=O)[O-])c1 ZINC000037492018 182935458 /nfs/dbraw/zinc/93/54/58/182935458.db2.gz HHXICBZDTNFOID-UHFFFAOYSA-N 0 0 237.215 2.325 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCCOCC(F)F ZINC000231677981 182950799 /nfs/dbraw/zinc/95/07/99/182950799.db2.gz OFDDXSYICWKPRC-UHFFFAOYSA-N 0 0 246.213 2.288 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@H]1CC[C@@H](F)C1 ZINC000336672025 182953979 /nfs/dbraw/zinc/95/39/79/182953979.db2.gz IWCDOYJHWDYOAU-SFYZADRCSA-N 0 0 225.223 2.292 20 5 BEBDRN O=[N+]([O-])c1ccnn1CCC1CCCC1 ZINC000127981942 182954500 /nfs/dbraw/zinc/95/45/00/182954500.db2.gz UXGOOZUYCLCUMI-UHFFFAOYSA-N 0 0 209.249 2.372 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCC1(O)CCCC1 ZINC000301991857 182956343 /nfs/dbraw/zinc/95/63/43/182956343.db2.gz NNNYTIHTQGJMGC-UHFFFAOYSA-N 0 0 242.300 2.373 20 5 BEBDRN CCCCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000153598492 169036814 /nfs/dbraw/zinc/03/68/14/169036814.db2.gz XWQBLVSSWXXCDB-UHFFFAOYSA-N 0 0 230.651 2.210 20 5 BEBDRN CCCN(C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000172904959 169060040 /nfs/dbraw/zinc/06/00/40/169060040.db2.gz HVNFPVIUUGCGFJ-UHFFFAOYSA-N 0 0 236.271 2.385 20 5 BEBDRN CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037286199 169061972 /nfs/dbraw/zinc/06/19/72/169061972.db2.gz KFBNAGNJZJUJAX-UHFFFAOYSA-N 0 0 240.234 2.216 20 5 BEBDRN CCCN(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000269335210 169090302 /nfs/dbraw/zinc/09/03/02/169090302.db2.gz ALRMPGXFMSJBEB-UHFFFAOYSA-N 0 0 229.667 2.489 20 5 BEBDRN CCCN(CC(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000299537068 169109087 /nfs/dbraw/zinc/10/90/87/169109087.db2.gz IDLOURWSTXQZET-UHFFFAOYSA-N 0 0 245.229 2.471 20 5 BEBDRN CCCOc1cc(C=O)ccc1[N+](=O)[O-] ZINC000050517604 169314976 /nfs/dbraw/zinc/31/49/76/169314976.db2.gz NVHJYFBCAAVPNK-UHFFFAOYSA-N 0 0 209.201 2.196 20 5 BEBDRN COC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000179528394 134321344 /nfs/dbraw/zinc/32/13/44/134321344.db2.gz WVGQNNFSLYHLAW-UHFFFAOYSA-N 0 0 227.241 2.103 20 5 BEBDRN O=[N+]([O-])c1nccn1Cc1ccc(F)c(F)c1 ZINC001644165795 1172532047 /nfs/dbraw/zinc/53/20/47/1172532047.db2.gz DCZWORAYYMCZFK-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN CC[C@@H](C)CN(C)c1c([N+](=O)[O-])c(C)nn1C ZINC000264710864 170699677 /nfs/dbraw/zinc/69/96/77/170699677.db2.gz GIGZFHMJDHFTCZ-MRVPVSSYSA-N 0 0 240.307 2.119 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC[C@H](C)F)n1 ZINC000338752585 383826890 /nfs/dbraw/zinc/82/68/90/383826890.db2.gz SEQGTMIXYSVOCK-ZETCQYMHSA-N 0 0 227.239 2.458 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1OC[C@H]1CCOC1 ZINC000338844141 383834065 /nfs/dbraw/zinc/83/40/65/383834065.db2.gz KUILLKNKWSEFEL-QMMMGPOBSA-N 0 0 241.218 2.149 20 5 BEBDRN CC[C@@H](CCO)Nc1c(C)cccc1[N+](=O)[O-] ZINC000134965535 383892623 /nfs/dbraw/zinc/89/26/23/383892623.db2.gz YCFBRMIFJRNRTC-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN CCCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000158377472 383898704 /nfs/dbraw/zinc/89/87/04/383898704.db2.gz XWJJDJUUSKQFDA-UHFFFAOYSA-N 0 0 240.234 2.264 20 5 BEBDRN O=[N+]([O-])c1cccc(CNc2ncc(F)cn2)c1 ZINC000135392949 383959828 /nfs/dbraw/zinc/95/98/28/383959828.db2.gz RDKUNHOLYLZTAG-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN CC[C@@H](O)[C@H](CC)Nc1ncc([N+](=O)[O-])s1 ZINC000313167713 383977621 /nfs/dbraw/zinc/97/76/21/383977621.db2.gz UMPACTUDAIROHA-NKWVEPMBSA-N 0 0 245.304 2.013 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C1CC1 ZINC000334997815 384006836 /nfs/dbraw/zinc/00/68/36/384006836.db2.gz MAIFALXGLUQVHK-UHFFFAOYSA-N 0 0 248.282 2.446 20 5 BEBDRN CCC[C@H](O)CNc1ccc([N+](=O)[O-])cc1F ZINC000158620060 384051990 /nfs/dbraw/zinc/05/19/90/384051990.db2.gz VWXOAROGIGEMIS-VIFPVBQESA-N 0 0 242.250 2.307 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CCC[C@@H]1C1CC1 ZINC000361815830 384074470 /nfs/dbraw/zinc/07/44/70/384074470.db2.gz TYYCIRBOGVVWAT-SNVBAGLBSA-N 0 0 233.271 2.369 20 5 BEBDRN Cc1ccc(CN2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000336222780 384161214 /nfs/dbraw/zinc/16/12/14/384161214.db2.gz JLSDZGYOTWGOGU-LLVKDONJSA-N 0 0 238.262 2.447 20 5 BEBDRN Cc1ccc(OCCC(C)(C)O)c([N+](=O)[O-])c1 ZINC000092800813 384170634 /nfs/dbraw/zinc/17/06/34/384170634.db2.gz BDOHYDQJVLWSRX-UHFFFAOYSA-N 0 0 239.271 2.443 20 5 BEBDRN C[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178435211 384236185 /nfs/dbraw/zinc/23/61/85/384236185.db2.gz FDFFJIBIKHOZKR-VIFPVBQESA-N 0 0 248.282 2.257 20 5 BEBDRN Cc1cnc(N[C@H](C)c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000229871382 384271250 /nfs/dbraw/zinc/27/12/50/384271250.db2.gz SAPKAMWFAKAPKT-MRVPVSSYSA-N 0 0 247.258 2.194 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(N[C@@H]2CCOC2)c(F)c1 ZINC000228667620 384302356 /nfs/dbraw/zinc/30/23/56/384302356.db2.gz PPFLOIXJGQPUKR-ZCFIWIBFSA-N 0 0 244.197 2.074 20 5 BEBDRN CN(C(=O)c1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000335742128 384357232 /nfs/dbraw/zinc/35/72/32/384357232.db2.gz PKDOZUDJJOJENQ-LLVKDONJSA-N 0 0 248.282 2.465 20 5 BEBDRN Cc1ncn(Cc2cccc([N+](=O)[O-])c2)c1C ZINC000134590302 384370887 /nfs/dbraw/zinc/37/08/87/384370887.db2.gz NJGYXUCRHVNLHQ-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CCOCCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359085557 384376443 /nfs/dbraw/zinc/37/64/43/384376443.db2.gz TXNSWQUXNAPXDN-UHFFFAOYSA-N 0 0 239.275 2.055 20 5 BEBDRN Cc1ccc(Cn2nccc2[N+](=O)[O-])cc1 ZINC000335896243 384389096 /nfs/dbraw/zinc/38/90/96/384389096.db2.gz NTAUREUTRYFTIW-UHFFFAOYSA-N 0 0 217.228 2.148 20 5 BEBDRN CO[C@@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226771993 384448478 /nfs/dbraw/zinc/44/84/78/384448478.db2.gz JSQPIJPLZZTCRL-RNFRBKRXSA-N 0 0 243.288 2.031 20 5 BEBDRN Cc1ccc(CNCC(F)F)cc1[N+](=O)[O-] ZINC000147309833 384452825 /nfs/dbraw/zinc/45/28/25/384452825.db2.gz IGKGALNVMJIDED-UHFFFAOYSA-N 0 0 230.214 2.258 20 5 BEBDRN CC1(C)SC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000276489214 384471688 /nfs/dbraw/zinc/47/16/88/384471688.db2.gz PPDULIMAZDHCFL-MRVPVSSYSA-N 0 0 239.300 2.296 20 5 BEBDRN CC[C@@H](C)CN(C)c1ccc([N+](=O)[O-])nc1 ZINC000340587408 384510373 /nfs/dbraw/zinc/51/03/73/384510373.db2.gz HCRDSIYMYKWFOL-SECBINFHSA-N 0 0 223.276 2.472 20 5 BEBDRN CC(C)CCNc1cccnc1[N+](=O)[O-] ZINC000083345728 384494488 /nfs/dbraw/zinc/49/44/88/384494488.db2.gz HYFFAEUFTKYUHV-UHFFFAOYSA-N 0 0 209.249 2.448 20 5 BEBDRN COC[C@H]1CCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000432165091 384517984 /nfs/dbraw/zinc/51/79/84/384517984.db2.gz GNGNYOIYSIMWJO-LLVKDONJSA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1c(CNCc2cocn2)cccc1[N+](=O)[O-] ZINC000395188750 384518210 /nfs/dbraw/zinc/51/82/10/384518210.db2.gz ZZPWHDDVSPANAO-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN CC(C)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000060848039 384522452 /nfs/dbraw/zinc/52/24/52/384522452.db2.gz HRDSMFGAEZWMJK-UHFFFAOYSA-N 0 0 222.244 2.214 20 5 BEBDRN C/C=C(\C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000176288620 384531072 /nfs/dbraw/zinc/53/10/72/384531072.db2.gz GUWSFGHMSRJJMN-YCRREMRBSA-N 0 0 246.266 2.450 20 5 BEBDRN C[C@H](C1CC1)N(C)c1ncccc1[N+](=O)[O-] ZINC000514981546 384585154 /nfs/dbraw/zinc/58/51/54/384585154.db2.gz VTXBSIWHOCSLGA-MRVPVSSYSA-N 0 0 221.260 2.225 20 5 BEBDRN O=C(c1ccccc1[N+](=O)[O-])N1C2CCC1CC2 ZINC000514980969 384587592 /nfs/dbraw/zinc/58/75/92/384587592.db2.gz VSGZLZHCINDFBI-UHFFFAOYSA-N 0 0 246.266 2.362 20 5 BEBDRN CC[C@@H](COc1cccc([N+](=O)[O-])c1)OC ZINC000416880907 384627859 /nfs/dbraw/zinc/62/78/59/384627859.db2.gz FNSYBVOYQPYCTH-JTQLQIEISA-N 0 0 225.244 2.399 20 5 BEBDRN O=[N+]([O-])c1cnc(N2C[C@@H]3CCCC[C@@H]3C2)nc1 ZINC000302092267 384707560 /nfs/dbraw/zinc/70/75/60/384707560.db2.gz HMSAUVJLNWWGLY-AOOOYVTPSA-N 0 0 248.286 2.011 20 5 BEBDRN Cc1cc(Br)cc(N)c1[N+](=O)[O-] ZINC000098181342 384722696 /nfs/dbraw/zinc/72/26/96/384722696.db2.gz SXDVGGTVKSILAM-UHFFFAOYSA-N 0 0 231.049 2.248 20 5 BEBDRN CCc1ccc(C(=O)N2CCC2)cc1[N+](=O)[O-] ZINC000174024328 384744847 /nfs/dbraw/zinc/74/48/47/384744847.db2.gz BQUUOFUZYKNVMB-UHFFFAOYSA-N 0 0 234.255 2.003 20 5 BEBDRN CC[C@@H](Nc1ncc([N+](=O)[O-])c(C)n1)C(F)F ZINC000450571292 384823626 /nfs/dbraw/zinc/82/36/26/384823626.db2.gz ZAMMHXJARVFLDH-ZCFIWIBFSA-N 0 0 246.217 2.149 20 5 BEBDRN CCc1ccccc1Cn1cc([N+](=O)[O-])cn1 ZINC000188180501 384831361 /nfs/dbraw/zinc/83/13/61/384831361.db2.gz CMKNXUNMSBVROU-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN Cc1cnc(NC[C@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000127299706 384883827 /nfs/dbraw/zinc/88/38/27/384883827.db2.gz HRDZNYBNYCPHAC-DTWKUNHWSA-N 0 0 221.260 2.366 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(N2CC[C@H](F)C2)c1 ZINC000450601707 384839773 /nfs/dbraw/zinc/83/97/73/384839773.db2.gz PZRYLDHFKVLNBW-QMMMGPOBSA-N 0 0 240.234 2.152 20 5 BEBDRN C[C@@H]1OCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000147561555 384844696 /nfs/dbraw/zinc/84/46/96/384844696.db2.gz KAUGOULATWXRKI-IUCAKERBSA-N 0 0 222.244 2.184 20 5 BEBDRN CO[C@H](C)COc1cc(C)ccc1[N+](=O)[O-] ZINC000180934441 384844716 /nfs/dbraw/zinc/84/47/16/384844716.db2.gz UNRIRSUXHNMTGO-SECBINFHSA-N 0 0 225.244 2.317 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@H]1C[C@@H]1C1CC1 ZINC000309519180 384852345 /nfs/dbraw/zinc/85/23/45/384852345.db2.gz STXOECNRHMSFHA-BDAKNGLRSA-N 0 0 219.244 2.200 20 5 BEBDRN Cc1nc(NC(=O)c2ccoc2)ccc1[N+](=O)[O-] ZINC000175680233 384854675 /nfs/dbraw/zinc/85/46/75/384854675.db2.gz XWJWCZNZZFSDKQ-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCc2nccn2C)c1 ZINC000084726562 384865778 /nfs/dbraw/zinc/86/57/78/384865778.db2.gz FAKAGTNCTOCOEM-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@H](C)C2)n1 ZINC000268857925 384866627 /nfs/dbraw/zinc/86/66/27/384866627.db2.gz ZRRCNLJSPINIOA-DTORHVGOSA-N 0 0 235.287 2.390 20 5 BEBDRN CCCCCn1c(C)c([N+](=O)[O-])ccc1=O ZINC000071526661 384953545 /nfs/dbraw/zinc/95/35/45/384953545.db2.gz XPKZXQZZDLSNGZ-UHFFFAOYSA-N 0 0 224.260 2.255 20 5 BEBDRN CC[C@@H](CCO)Nc1ccc([N+](=O)[O-])cc1F ZINC000077232405 384893182 /nfs/dbraw/zinc/89/31/82/384893182.db2.gz BYPDPFXDMNAPDW-QMMMGPOBSA-N 0 0 242.250 2.307 20 5 BEBDRN CC[C@@H](CNc1nccc(C)c1[N+](=O)[O-])OC ZINC000290753579 384941776 /nfs/dbraw/zinc/94/17/76/384941776.db2.gz SUMQJSHSEQHGJZ-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1NC1CC1 ZINC000148451576 384943590 /nfs/dbraw/zinc/94/35/90/384943590.db2.gz FFJSIXHWDOBKDY-UHFFFAOYSA-N 0 0 213.624 2.218 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCC1(O)CCCC1 ZINC000108644473 385056047 /nfs/dbraw/zinc/05/60/47/385056047.db2.gz ACUREBPONWWAEN-UHFFFAOYSA-N 0 0 236.271 2.312 20 5 BEBDRN CN(c1ncc([N+](=O)[O-])s1)[C@@H]1CC1(C)C ZINC000336981536 385112497 /nfs/dbraw/zinc/11/24/97/385112497.db2.gz DJUKICDHSNZPQI-ZCFIWIBFSA-N 0 0 227.289 2.286 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1NCCCCO ZINC000236505804 385145940 /nfs/dbraw/zinc/14/59/40/385145940.db2.gz TXJXMHSJZJQRED-UHFFFAOYSA-N 0 0 244.678 2.433 20 5 BEBDRN CC1(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000280054023 385163977 /nfs/dbraw/zinc/16/39/77/385163977.db2.gz YFAISANUFLHHAG-UHFFFAOYSA-N 0 0 235.239 2.343 20 5 BEBDRN CS[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000152806577 385215552 /nfs/dbraw/zinc/21/55/52/385215552.db2.gz DKHPWZYVTLTHGA-SSDOTTSWSA-N 0 0 240.284 2.285 20 5 BEBDRN O=[N+]([O-])c1ccc(CSc2c[nH]nn2)cc1 ZINC000177366313 385228751 /nfs/dbraw/zinc/22/87/51/385228751.db2.gz HHRKGBJFHNHFJK-UHFFFAOYSA-N 0 0 236.256 2.005 20 5 BEBDRN Cc1sc(C(=O)N[C@@H](C)CF)cc1[N+](=O)[O-] ZINC000287961418 385252065 /nfs/dbraw/zinc/25/20/65/385252065.db2.gz DLBCIEBNXKNYFM-YFKPBYRVSA-N 0 0 246.263 2.053 20 5 BEBDRN Cc1noc(C)c1CNc1ccc([N+](=O)[O-])nc1 ZINC000109311056 385337336 /nfs/dbraw/zinc/33/73/36/385337336.db2.gz UPFKEJNHKQYGSU-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC[C@@H](CO)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887274 385483480 /nfs/dbraw/zinc/48/34/80/385483480.db2.gz WHHIPLDMZSLDCS-LURJTMIESA-N 0 0 246.213 2.056 20 5 BEBDRN Cc1c(NC(=O)c2ccon2)cccc1[N+](=O)[O-] ZINC000128433817 385507130 /nfs/dbraw/zinc/50/71/30/385507130.db2.gz QDFVZEIJVXIWKI-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN CC(C)=CCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000309297025 385515761 /nfs/dbraw/zinc/51/57/61/385515761.db2.gz RVPHSOACKUJFAH-UHFFFAOYSA-N 0 0 240.288 2.025 20 5 BEBDRN CC[C@@H](C)[C@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000264775499 385532889 /nfs/dbraw/zinc/53/28/89/385532889.db2.gz HHIKRRCNAQKUSO-BXKDBHETSA-N 0 0 238.287 2.414 20 5 BEBDRN CO[C@@H](C)CCNc1ncc([N+](=O)[O-])cc1C ZINC000264463826 385569089 /nfs/dbraw/zinc/56/90/89/385569089.db2.gz LISJLWMTHILMCN-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1noc(OCc2cccc([N+](=O)[O-])c2C)n1 ZINC000264554932 385600894 /nfs/dbraw/zinc/60/08/94/385600894.db2.gz VLKNZNAJVLBKBS-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CC[C@H]1CCN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000292267791 385632351 /nfs/dbraw/zinc/63/23/51/385632351.db2.gz LIEKADHAUALBJQ-VIFPVBQESA-N 0 0 221.260 2.287 20 5 BEBDRN CC(C)[C@H](CO)CNc1ccccc1[N+](=O)[O-] ZINC000343807907 385728770 /nfs/dbraw/zinc/72/87/70/385728770.db2.gz PDYQKSFVPOAXFD-JTQLQIEISA-N 0 0 238.287 2.271 20 5 BEBDRN CSCCCOc1ccc(N)c([N+](=O)[O-])c1 ZINC000283729748 385746133 /nfs/dbraw/zinc/74/61/33/385746133.db2.gz HNUGGOVQFYBRNR-UHFFFAOYSA-N 0 0 242.300 2.309 20 5 BEBDRN C[C@@H](NC(=O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000190173836 385748044 /nfs/dbraw/zinc/74/80/44/385748044.db2.gz KATDOMRRAGOJFQ-ZCFIWIBFSA-N 0 0 244.197 2.037 20 5 BEBDRN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)CS1 ZINC000397826944 385719807 /nfs/dbraw/zinc/71/98/07/385719807.db2.gz BIBGIJLTRPKKSU-VXNVDRBHSA-N 0 0 239.300 2.296 20 5 BEBDRN CS[C@@H](C)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000159242739 385841378 /nfs/dbraw/zinc/84/13/78/385841378.db2.gz IMQKSIWGZSBWSH-QMMMGPOBSA-N 0 0 241.316 2.462 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)N(Cc1ccon1)CC2 ZINC000182765733 385896762 /nfs/dbraw/zinc/89/67/62/385896762.db2.gz QHQSLSQIZHRSDW-UHFFFAOYSA-N 0 0 245.238 2.146 20 5 BEBDRN CO[C@H](C)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000164022273 385903716 /nfs/dbraw/zinc/90/37/16/385903716.db2.gz WNELSOLHXMUVOS-SSDOTTSWSA-N 0 0 229.207 2.148 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC(CF)CC2)s1 ZINC000294915312 385916822 /nfs/dbraw/zinc/91/68/22/385916822.db2.gz GBGFLXASYMNCGN-UHFFFAOYSA-N 0 0 245.279 2.237 20 5 BEBDRN Cc1sc(C(=O)N(C)CCF)cc1[N+](=O)[O-] ZINC000293843561 386001467 /nfs/dbraw/zinc/00/14/67/386001467.db2.gz CJDRZCSJDOPJKB-UHFFFAOYSA-N 0 0 246.263 2.006 20 5 BEBDRN COC1(CCn2cc([N+](=O)[O-])c(C)n2)CCC1 ZINC000295446661 386033952 /nfs/dbraw/zinc/03/39/52/386033952.db2.gz WEQQTAPLACCTOH-UHFFFAOYSA-N 0 0 239.275 2.059 20 5 BEBDRN C[C@@]1(Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000160005118 386094641 /nfs/dbraw/zinc/09/46/41/386094641.db2.gz OYDKSDSGKAEHAY-LLVKDONJSA-N 0 0 222.244 2.186 20 5 BEBDRN CO[C@@H](C)CNc1c(C)cccc1[N+](=O)[O-] ZINC000224355396 386137974 /nfs/dbraw/zinc/13/79/74/386137974.db2.gz TTXOFCHKUCHORP-VIFPVBQESA-N 0 0 224.260 2.350 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CC[C@@H]2CCC[C@@H]21 ZINC000408362420 386272717 /nfs/dbraw/zinc/27/27/17/386272717.db2.gz ODWBWOFRJYHWLI-UWVGGRQHSA-N 0 0 233.271 2.369 20 5 BEBDRN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000294091380 386361764 /nfs/dbraw/zinc/36/17/64/386361764.db2.gz BSURXTCATUTRQJ-BDAKNGLRSA-N 0 0 249.270 2.467 20 5 BEBDRN CC(C)CCCC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001645305742 1172652384 /nfs/dbraw/zinc/65/23/84/1172652384.db2.gz UWIIHAAUSWTRLY-UHFFFAOYSA-N 0 0 240.263 2.083 20 5 BEBDRN C[C@@H](O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000087139429 386670880 /nfs/dbraw/zinc/67/08/80/386670880.db2.gz DHFROLQUOACXOF-HTQZYQBOSA-N 0 0 227.285 2.456 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(O[C@@H](C)[C@@H](C)O)c1 ZINC000087138977 386672326 /nfs/dbraw/zinc/67/23/26/386672326.db2.gz PPRVELFVTCQGNO-BDAKNGLRSA-N 0 0 225.244 2.051 20 5 BEBDRN CC[C@H]1CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000340694120 386713167 /nfs/dbraw/zinc/71/31/67/386713167.db2.gz BXUXZKUMWUVYEV-VIFPVBQESA-N 0 0 221.260 2.369 20 5 BEBDRN C[C@@H](CO)SCc1ccc([N+](=O)[O-])cc1F ZINC000266996024 386741323 /nfs/dbraw/zinc/74/13/23/386741323.db2.gz BCHUDFBIDJETOE-ZETCQYMHSA-N 0 0 245.275 2.348 20 5 BEBDRN CC(C)OC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000088806629 386785650 /nfs/dbraw/zinc/78/56/50/386785650.db2.gz UNYQXGLETBZYBV-UHFFFAOYSA-N 0 0 237.255 2.479 20 5 BEBDRN CSCCCN(C)c1ccncc1[N+](=O)[O-] ZINC000340894998 386799747 /nfs/dbraw/zinc/79/97/47/386799747.db2.gz GSBILIFHSXCVKN-UHFFFAOYSA-N 0 0 241.316 2.179 20 5 BEBDRN CC[C@@H](CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000125673127 386865259 /nfs/dbraw/zinc/86/52/59/386865259.db2.gz NBVHZCNUUHHLID-VIFPVBQESA-N 0 0 224.260 2.168 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2C[C@@H](O)C2)c(Cl)c1 ZINC000295133939 386918151 /nfs/dbraw/zinc/91/81/51/386918151.db2.gz CTZRSPLCNWIJFW-WRXNHJIOSA-N 0 0 242.662 2.183 20 5 BEBDRN CN(CC1CCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000110467440 387065103 /nfs/dbraw/zinc/06/51/03/387065103.db2.gz UDNIDRVUQAUQQK-UHFFFAOYSA-N 0 0 248.282 2.467 20 5 BEBDRN CSCCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000185169849 387011585 /nfs/dbraw/zinc/01/15/85/387011585.db2.gz XXTMEHZVVHZVHL-UHFFFAOYSA-N 0 0 241.316 2.422 20 5 BEBDRN CO[C@@H](C)CCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000268512165 387021512 /nfs/dbraw/zinc/02/15/12/387021512.db2.gz SEICBEMIRFWPDC-QMMMGPOBSA-N 0 0 239.275 2.135 20 5 BEBDRN CO[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000267612392 387024628 /nfs/dbraw/zinc/02/46/28/387024628.db2.gz GXRWHKQENWHWBR-NSHDSACASA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000357332975 387074178 /nfs/dbraw/zinc/07/41/78/387074178.db2.gz SXKIWRZWALCLBQ-UHFFFAOYSA-N 0 0 233.227 2.185 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1N1C[C@@H](F)[C@@H](F)C1 ZINC000295026788 387097416 /nfs/dbraw/zinc/09/74/16/387097416.db2.gz REVQYEXCAAKXGK-OCAPTIKFSA-N 0 0 246.188 2.230 20 5 BEBDRN C[C@@]1(F)CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000295032598 387098531 /nfs/dbraw/zinc/09/85/31/387098531.db2.gz WCQYJZSLJVHSMC-SECBINFHSA-N 0 0 245.279 2.380 20 5 BEBDRN COc1ccc(Cn2ccnc2C)cc1[N+](=O)[O-] ZINC000070164329 387118098 /nfs/dbraw/zinc/11/80/98/387118098.db2.gz BBDBXBIJTBRRKU-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN C[C@H](CCCO)Nc1ccc([N+](=O)[O-])cc1F ZINC000088503679 387291927 /nfs/dbraw/zinc/29/19/27/387291927.db2.gz UZZYIUDPBBLMRW-MRVPVSSYSA-N 0 0 242.250 2.307 20 5 BEBDRN COc1cc(-c2nc(C)no2)cc([N+](=O)[O-])c1C ZINC000276696927 387302627 /nfs/dbraw/zinc/30/26/27/387302627.db2.gz WAEIILLQGBSAMT-UHFFFAOYSA-N 0 0 249.226 2.270 20 5 BEBDRN Cc1ccc(Cn2nccc2[N+](=O)[O-])cc1C ZINC000192131652 387350560 /nfs/dbraw/zinc/35/05/60/387350560.db2.gz KPEOKPQHITYXLH-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CCCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000192761236 387430874 /nfs/dbraw/zinc/43/08/74/387430874.db2.gz NVVLMPIPMPULOJ-UHFFFAOYSA-N 0 0 209.249 2.389 20 5 BEBDRN CCC1(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000296009352 387607054 /nfs/dbraw/zinc/60/70/54/387607054.db2.gz WFFGLYHODGMRSU-UHFFFAOYSA-N 0 0 248.282 2.196 20 5 BEBDRN C[C@H]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000040454541 387681789 /nfs/dbraw/zinc/68/17/89/387681789.db2.gz OVNSCTAFUVSWJY-DTWKUNHWSA-N 0 0 236.275 2.375 20 5 BEBDRN Cc1cc(C(=O)N[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000075522307 387763694 /nfs/dbraw/zinc/76/36/94/387763694.db2.gz IJHJODLNKPQFEE-GMSGAONNSA-N 0 0 234.255 2.041 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@H]3CCCC[C@H]32)nc1 ZINC000368184302 387763850 /nfs/dbraw/zinc/76/38/50/387763850.db2.gz LIXBVPMISHJPFP-MWLCHTKSSA-N 0 0 233.271 2.369 20 5 BEBDRN CC[C@H](O)COc1ccc([N+](=O)[O-])c(F)c1F ZINC000296029455 387830450 /nfs/dbraw/zinc/83/04/50/387830450.db2.gz VDBPNNOKYDWZNN-LURJTMIESA-N 0 0 247.197 2.023 20 5 BEBDRN Cc1cc(C(=O)NC[C@@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000032394294 177790588 /nfs/dbraw/zinc/79/05/88/177790588.db2.gz HRTRMKZPQLRCJD-KWQFWETISA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1cc(C(=O)NC2CCC2)ccc1[N+](=O)[O-] ZINC000264525283 177775866 /nfs/dbraw/zinc/77/58/66/177775866.db2.gz NDLLZITXEBBDIR-UHFFFAOYSA-N 0 0 234.255 2.186 20 5 BEBDRN Nc1ccc(CNc2ccccc2[N+](=O)[O-])cn1 ZINC000302792192 388345629 /nfs/dbraw/zinc/34/56/29/388345629.db2.gz ZEORKBLMZWVVST-UHFFFAOYSA-N 0 0 244.254 2.184 20 5 BEBDRN Cc1nc(COc2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000131771942 388351292 /nfs/dbraw/zinc/35/12/92/388351292.db2.gz HZCVECOKECRAOR-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CCC[C@@](C)(O)CNc1ncc([N+](=O)[O-])s1 ZINC000230687719 388371964 /nfs/dbraw/zinc/37/19/64/388371964.db2.gz GNEWKEQZTXNAON-SECBINFHSA-N 0 0 245.304 2.014 20 5 BEBDRN CC[C@@H](C)CN(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595316467 388381358 /nfs/dbraw/zinc/38/13/58/388381358.db2.gz GKJBBAYTJILEHH-MRVPVSSYSA-N 0 0 241.291 2.369 20 5 BEBDRN C[C@@H]1C[C@H]1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000094771888 388394303 /nfs/dbraw/zinc/39/43/03/388394303.db2.gz ZMLYICSEZOJNBW-HZGVNTEJSA-N 0 0 232.243 2.291 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@@H](CO)C1CC1 ZINC000357778541 388395087 /nfs/dbraw/zinc/39/50/87/388395087.db2.gz DHSIHWDPNXOAAD-JTQLQIEISA-N 0 0 236.271 2.025 20 5 BEBDRN O=[N+]([O-])c1ccc(/C=C/SCCCO)o1 ZINC000298113557 388466956 /nfs/dbraw/zinc/46/69/56/388466956.db2.gz BEBUQJCDFMPPOI-QPJJXVBHSA-N 0 0 229.257 2.274 20 5 BEBDRN CCOC[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000090692246 388471673 /nfs/dbraw/zinc/47/16/73/388471673.db2.gz CYPWNGZSPYMESV-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1ccnc(N2CC[C@@H]2C(F)F)c1[N+](=O)[O-] ZINC000596248903 388410149 /nfs/dbraw/zinc/41/01/49/388410149.db2.gz OAPUNPCUCNFQCY-SSDOTTSWSA-N 0 0 243.213 2.142 20 5 BEBDRN CCN(CC)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295585332 388412040 /nfs/dbraw/zinc/41/20/40/388412040.db2.gz XEOHYTQWYSAKIA-UHFFFAOYSA-N 0 0 234.259 2.317 20 5 BEBDRN CCN(CCO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000040412180 388414934 /nfs/dbraw/zinc/41/49/34/388414934.db2.gz SFVFXSKMFYQJMY-UHFFFAOYSA-N 0 0 244.678 2.067 20 5 BEBDRN CO[C@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000275394299 388508907 /nfs/dbraw/zinc/50/89/07/388508907.db2.gz CWMMAEUBHBROPR-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CCCC1 ZINC000153501553 388589944 /nfs/dbraw/zinc/58/99/44/388589944.db2.gz HHCYAYPPCRHUAY-UHFFFAOYSA-N 0 0 227.651 2.243 20 5 BEBDRN O=[N+]([O-])c1cn(CC2CC2)nc1C1CC1 ZINC000185165243 256851219 /nfs/dbraw/zinc/85/12/19/256851219.db2.gz AMSLZGJEXJEYAM-UHFFFAOYSA-N 0 0 207.233 2.079 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCc2ccnn2C)c1 ZINC000161274855 388606025 /nfs/dbraw/zinc/60/60/25/388606025.db2.gz RSJPMYOMQCGRRJ-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN CCOCCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000090794527 388606821 /nfs/dbraw/zinc/60/68/21/388606821.db2.gz LMNOFUFZOWGTSF-UHFFFAOYSA-N 0 0 240.259 2.052 20 5 BEBDRN CCOCCOc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000521273628 388671151 /nfs/dbraw/zinc/67/11/51/388671151.db2.gz YEZKRQCDGVWCRD-UHFFFAOYSA-N 0 0 240.259 2.022 20 5 BEBDRN Cc1nc(C)c(CNc2ccc([N+](=O)[O-])nc2)o1 ZINC000311845808 388676405 /nfs/dbraw/zinc/67/64/05/388676405.db2.gz OLAWRTUWVWBWDP-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN C[C@@H](NC(=O)N1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000298992341 388678474 /nfs/dbraw/zinc/67/84/74/388678474.db2.gz RQNAQACVBBANOU-SECBINFHSA-N 0 0 249.270 2.071 20 5 BEBDRN CC1(C)COC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000313157444 388681652 /nfs/dbraw/zinc/68/16/52/388681652.db2.gz YGHHKUQOBJHGBE-NSHDSACASA-N 0 0 236.271 2.432 20 5 BEBDRN O=[N+]([O-])c1cnc(SC2CCCC2)nc1 ZINC000273614517 388618844 /nfs/dbraw/zinc/61/88/44/388618844.db2.gz MXWXJGCNHHUVET-UHFFFAOYSA-N 0 0 225.273 2.420 20 5 BEBDRN CC(C)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000078728400 388684001 /nfs/dbraw/zinc/68/40/01/388684001.db2.gz CNQCMAJHDQUWMC-UHFFFAOYSA-N 0 0 222.244 2.075 20 5 BEBDRN Cc1c(OC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000330469716 388624971 /nfs/dbraw/zinc/62/49/71/388624971.db2.gz VNXYSSBWRONKAW-JTQLQIEISA-N 0 0 237.255 2.319 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2nc(CCC3CC3)no2)[nH]1 ZINC000274165158 388652652 /nfs/dbraw/zinc/65/26/52/388652652.db2.gz YHCJQIFOAILGTI-UHFFFAOYSA-N 0 0 248.242 2.316 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)Cc2cc[nH]n2)c1 ZINC000447063670 388734717 /nfs/dbraw/zinc/73/47/17/388734717.db2.gz OOYJPONDWLJRMB-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN CC[C@@H](C)COc1cccnc1[N+](=O)[O-] ZINC000154315729 388734917 /nfs/dbraw/zinc/73/49/17/388734917.db2.gz QXHHVBCTAUYHBB-MRVPVSSYSA-N 0 0 210.233 2.415 20 5 BEBDRN O=[N+]([O-])c1cnc(Nc2ccccc2)nc1 ZINC000123726042 388735290 /nfs/dbraw/zinc/73/52/90/388735290.db2.gz NTTWBQKLWMEODE-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1N1CCCC1)CCN2 ZINC000275462800 388735379 /nfs/dbraw/zinc/73/53/79/388735379.db2.gz YZSGFRNITSCGEG-UHFFFAOYSA-N 0 0 233.271 2.163 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCCC(C)(C)O ZINC000092800755 388737081 /nfs/dbraw/zinc/73/70/81/388737081.db2.gz SMMIWZMAWTUIIA-UHFFFAOYSA-N 0 0 239.271 2.443 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1N1CCCO1 ZINC000276244049 388738126 /nfs/dbraw/zinc/73/81/26/388738126.db2.gz PSYLHRFCKXDADV-UHFFFAOYSA-N 0 0 228.635 2.390 20 5 BEBDRN Cc1ccnc(N2CCCCC2)c1[N+](=O)[O-] ZINC000115515497 388695734 /nfs/dbraw/zinc/69/57/34/388695734.db2.gz DSLNUJXWQWBGLE-UHFFFAOYSA-N 0 0 221.260 2.289 20 5 BEBDRN CC[C@@H](COC)Nc1ccccc1[N+](=O)[O-] ZINC000079710335 388698163 /nfs/dbraw/zinc/69/81/63/388698163.db2.gz AYGUSAQZDXICQN-VIFPVBQESA-N 0 0 224.260 2.432 20 5 BEBDRN O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CC34CC4)nc2c1 ZINC000425269898 388701871 /nfs/dbraw/zinc/70/18/71/388701871.db2.gz DHDSHQWQKNVBBW-SNVBAGLBSA-N 0 0 244.254 2.436 20 5 BEBDRN O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CC34CC4)nc2c1 ZINC000425269897 388702486 /nfs/dbraw/zinc/70/24/86/388702486.db2.gz DHDSHQWQKNVBBW-JTQLQIEISA-N 0 0 244.254 2.436 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCCOC(F)F)nc1 ZINC000193617449 388711474 /nfs/dbraw/zinc/71/14/74/388711474.db2.gz YPJCDCALAJMMJD-UHFFFAOYSA-N 0 0 247.201 2.031 20 5 BEBDRN Cc1ccc(N[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000080645760 388712228 /nfs/dbraw/zinc/71/22/28/388712228.db2.gz HYNILDPKHBNRID-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN C[C@H](CO)CSc1ccc([N+](=O)[O-])cc1 ZINC000080855796 388714941 /nfs/dbraw/zinc/71/49/41/388714941.db2.gz VVLMJSGQOSBOHN-MRVPVSSYSA-N 0 0 227.285 2.315 20 5 BEBDRN C[C@H](Nc1ncc([N+](=O)[O-])cn1)C1CCCC1 ZINC000070307405 388729408 /nfs/dbraw/zinc/72/94/08/388729408.db2.gz JOYIPELRPVDXHI-QMMMGPOBSA-N 0 0 236.275 2.375 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC2(CCO)CC2)c1 ZINC000431501275 388731358 /nfs/dbraw/zinc/73/13/58/388731358.db2.gz DTDIQNJFGCZNSJ-UHFFFAOYSA-N 0 0 236.271 2.230 20 5 BEBDRN CC[C@H]1[C@H](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000274652861 388732851 /nfs/dbraw/zinc/73/28/51/388732851.db2.gz CXHUBPRETUCBMG-SCZZXKLOSA-N 0 0 236.275 2.010 20 5 BEBDRN COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000095348257 388763092 /nfs/dbraw/zinc/76/30/92/388763092.db2.gz RLQBHCMAEJCYHY-UHFFFAOYSA-N 0 0 241.218 2.185 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CCC(C)C ZINC000096553094 388823041 /nfs/dbraw/zinc/82/30/41/388823041.db2.gz HADQRODKNNCKGW-UHFFFAOYSA-N 0 0 224.260 2.111 20 5 BEBDRN C[C@H](NCc1cc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000037775641 388904967 /nfs/dbraw/zinc/90/49/67/388904967.db2.gz NVXFKYMAWWOHOL-VIFPVBQESA-N 0 0 246.270 2.169 20 5 BEBDRN C[C@H]1OCCN(c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000268822572 132193408 /nfs/dbraw/zinc/19/34/08/132193408.db2.gz PQFRUUULBNVGEI-VHSXEESVSA-N 0 0 236.271 2.208 20 5 BEBDRN C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000270988075 132198668 /nfs/dbraw/zinc/19/86/68/132198668.db2.gz UAGUQGKWAFESSO-NXEZZACHSA-N 0 0 235.287 2.472 20 5 BEBDRN CC1(C)CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273554899 132202041 /nfs/dbraw/zinc/20/20/41/132202041.db2.gz ATIMPTCBPMZWGW-UHFFFAOYSA-N 0 0 236.275 2.011 20 5 BEBDRN CCC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273674927 132202052 /nfs/dbraw/zinc/20/20/52/132202052.db2.gz YEIAUNXFYKQSRG-UHFFFAOYSA-N 0 0 236.275 2.011 20 5 BEBDRN Cc1ccc(N2CCC(=O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000275340665 132204684 /nfs/dbraw/zinc/20/46/84/132204684.db2.gz HLZNATKVMSRYMF-SNVBAGLBSA-N 0 0 248.282 2.319 20 5 BEBDRN Cc1cc(N2CCC=C(C)C2)ncc1[N+](=O)[O-] ZINC000280821335 132211279 /nfs/dbraw/zinc/21/12/79/132211279.db2.gz VACXIZQUFMFFDN-UHFFFAOYSA-N 0 0 233.271 2.455 20 5 BEBDRN Cc1nc(N2CCCC3(CC3)C2)ncc1[N+](=O)[O-] ZINC000295029243 132220249 /nfs/dbraw/zinc/22/02/49/132220249.db2.gz MWZCIHDMDQYILY-UHFFFAOYSA-N 0 0 248.286 2.074 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC(CF)CC2)nc1 ZINC000295049108 132220282 /nfs/dbraw/zinc/22/02/82/132220282.db2.gz UHNUTLVPWAQWOU-UHFFFAOYSA-N 0 0 239.250 2.176 20 5 BEBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@H](C)CO1 ZINC000298309142 132222209 /nfs/dbraw/zinc/22/22/09/132222209.db2.gz NZIXVSWAAQEMPO-NXEZZACHSA-N 0 0 236.271 2.208 20 5 BEBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000302476224 132263789 /nfs/dbraw/zinc/26/37/89/132263789.db2.gz VJEAAPLTSBVGLT-VIFPVBQESA-N 0 0 234.255 2.010 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1CCC=C(F)C1 ZINC000361075934 132279889 /nfs/dbraw/zinc/27/98/89/132279889.db2.gz VKRXDLYECNUMKR-UHFFFAOYSA-N 0 0 223.207 2.053 20 5 BEBDRN CC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000070074495 132391006 /nfs/dbraw/zinc/39/10/06/132391006.db2.gz SDTBHADOYQCGBR-UHFFFAOYSA-N 0 0 248.282 2.400 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(OC[C@H]2CCOC2)c1 ZINC000157918201 133494374 /nfs/dbraw/zinc/49/43/74/133494374.db2.gz KLIQGLACPQTPJG-QMMMGPOBSA-N 0 0 241.218 2.149 20 5 BEBDRN O=C(C1=CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000334472878 133631096 /nfs/dbraw/zinc/63/10/96/133631096.db2.gz KRGRGSOKRLAKLX-UHFFFAOYSA-N 0 0 244.250 2.204 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](C3CC3)C2)cn1 ZINC000343465834 133685029 /nfs/dbraw/zinc/68/50/29/133685029.db2.gz MSLUYQOYONEWNI-SNVBAGLBSA-N 0 0 233.271 2.226 20 5 BEBDRN Cc1cccc(C(=O)N[C@@H]2CC23CC3)c1[N+](=O)[O-] ZINC000335102686 133774128 /nfs/dbraw/zinc/77/41/28/133774128.db2.gz HOKVMNYOBMHFRW-SNVBAGLBSA-N 0 0 246.266 2.186 20 5 BEBDRN Cc1ccc(C(=O)N[C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000335115025 133779063 /nfs/dbraw/zinc/77/90/63/133779063.db2.gz ADRCZHOZSCHMCF-LLVKDONJSA-N 0 0 246.266 2.186 20 5 BEBDRN Cc1noc(-c2cc(C)cc([N+](=O)[O-])c2)n1 ZINC000349770688 133910261 /nfs/dbraw/zinc/91/02/61/133910261.db2.gz OMLQLERWJPUYGK-UHFFFAOYSA-N 0 0 219.200 2.262 20 5 BEBDRN CC(C)(C)c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000349878777 133923826 /nfs/dbraw/zinc/92/38/26/133923826.db2.gz LHVLNGGFYJGSKF-UHFFFAOYSA-N 0 0 236.231 2.270 20 5 BEBDRN CO[C@H](C)COc1c(Cl)cncc1[N+](=O)[O-] ZINC000349920754 133925595 /nfs/dbraw/zinc/92/55/95/133925595.db2.gz JQEBRIQMPGRRHF-ZCFIWIBFSA-N 0 0 246.650 2.057 20 5 BEBDRN C[C@@H]1C[C@H](C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000335878777 133947866 /nfs/dbraw/zinc/94/78/66/133947866.db2.gz OVOVASWLMIJOOV-AOOOYVTPSA-N 0 0 248.282 2.147 20 5 BEBDRN Cc1ccc(C(=O)N[C@H]2CC[C@H]2C)cc1[N+](=O)[O-] ZINC000335946710 134020629 /nfs/dbraw/zinc/02/06/29/134020629.db2.gz GZBVGMHTQDFBBM-KCJUWKMLSA-N 0 0 248.282 2.432 20 5 BEBDRN CC1(C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000352299513 134139803 /nfs/dbraw/zinc/13/98/03/134139803.db2.gz AGBFYKQPWWNMTE-JTQLQIEISA-N 0 0 248.282 2.371 20 5 BEBDRN COc1ccc(OC[C@@H](C)OC)c([N+](=O)[O-])c1 ZINC000180913776 134331963 /nfs/dbraw/zinc/33/19/63/134331963.db2.gz NMBMGKNDZQKSPL-MRVPVSSYSA-N 0 0 241.243 2.017 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCSC2)n1 ZINC000223002385 134336104 /nfs/dbraw/zinc/33/61/04/134336104.db2.gz VUDJTXGLMIOYBG-QMMMGPOBSA-N 0 0 239.300 2.216 20 5 BEBDRN O=[N+]([O-])c1cccc(OCCOCC2CC2)c1 ZINC000181483237 134336910 /nfs/dbraw/zinc/33/69/10/134336910.db2.gz LYTSDQZBUPCQCO-UHFFFAOYSA-N 0 0 237.255 2.400 20 5 BEBDRN Cc1ccnc(N2CCC[C@H](F)C2)c1[N+](=O)[O-] ZINC000408104961 134392963 /nfs/dbraw/zinc/39/29/63/134392963.db2.gz GPMYKJUOPYSHRF-VIFPVBQESA-N 0 0 239.250 2.237 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCC(F)(F)F)nc1 ZINC000063100562 134505866 /nfs/dbraw/zinc/50/58/66/134505866.db2.gz WZFZPNXDZRKLBT-UHFFFAOYSA-N 0 0 235.165 2.354 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCC[C@@H](C)O)c1 ZINC000134050493 134700161 /nfs/dbraw/zinc/70/01/61/134700161.db2.gz JXOMAHVVTDFCPB-SECBINFHSA-N 0 0 225.244 2.053 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCC1(O)CCC1 ZINC000135496976 134748522 /nfs/dbraw/zinc/74/85/22/134748522.db2.gz UIBRDAKKAAWFRX-UHFFFAOYSA-N 0 0 236.271 2.230 20 5 BEBDRN Cc1cccc(OCC[C@H](C)O)c1[N+](=O)[O-] ZINC000134044307 134758545 /nfs/dbraw/zinc/75/85/45/134758545.db2.gz QESWMNSTJXAVPJ-VIFPVBQESA-N 0 0 225.244 2.053 20 5 BEBDRN Cc1c(C(=O)OC(C)C)cccc1[N+](=O)[O-] ZINC000057951893 134785875 /nfs/dbraw/zinc/78/58/75/134785875.db2.gz SKWWNVZKJQBGGA-UHFFFAOYSA-N 0 0 223.228 2.468 20 5 BEBDRN O=C(CSc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000160157867 134799856 /nfs/dbraw/zinc/79/98/56/134799856.db2.gz QAGQQBMGSUOIMI-UHFFFAOYSA-N 0 0 238.268 2.061 20 5 BEBDRN O=[N+]([O-])c1cccnc1SCCF ZINC000308208902 134884172 /nfs/dbraw/zinc/88/41/72/134884172.db2.gz FGDAHBOZICHVQP-UHFFFAOYSA-N 0 0 202.210 2.051 20 5 BEBDRN CSCCCNc1ccncc1[N+](=O)[O-] ZINC000069012812 134897470 /nfs/dbraw/zinc/89/74/70/134897470.db2.gz PJYWEMTXIZXRMY-UHFFFAOYSA-N 0 0 227.289 2.155 20 5 BEBDRN CCc1ccc(OCC(C)=O)c([N+](=O)[O-])c1 ZINC000070063388 134976040 /nfs/dbraw/zinc/97/60/40/134976040.db2.gz MTHOBWIRSQENSX-UHFFFAOYSA-N 0 0 223.228 2.125 20 5 BEBDRN Cc1c(OC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000076423982 135033813 /nfs/dbraw/zinc/03/38/13/135033813.db2.gz AOAXFQLZTJVOCB-SNVBAGLBSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC[C@H]1CCCO1 ZINC000078755504 135150302 /nfs/dbraw/zinc/15/03/02/135150302.db2.gz IXFRPVRBLCXRIH-LLVKDONJSA-N 0 0 237.255 2.461 20 5 BEBDRN CC1=CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000334367051 135374584 /nfs/dbraw/zinc/37/45/84/135374584.db2.gz JWEHLYYMRHRWNJ-UHFFFAOYSA-N 0 0 246.266 2.387 20 5 BEBDRN CC(C)[C@@H](C)CNc1ncc([N+](=O)[O-])cn1 ZINC000081070193 135386000 /nfs/dbraw/zinc/38/60/00/135386000.db2.gz GBIIOTCRFRUCDY-QMMMGPOBSA-N 0 0 224.264 2.089 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2C[C@H]2C2CC2)s1 ZINC000308913644 135430802 /nfs/dbraw/zinc/43/08/02/135430802.db2.gz ZZJPZYQFGVSOEV-BQBZGAKWSA-N 0 0 225.273 2.262 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OC(C)C)c1 ZINC000088147541 135515823 /nfs/dbraw/zinc/51/58/23/135515823.db2.gz MCDBHVMILNZSET-UHFFFAOYSA-N 0 0 223.228 2.468 20 5 BEBDRN CC[C@@H](CCO)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000088725274 135525983 /nfs/dbraw/zinc/52/59/83/135525983.db2.gz YKQGQDSVRSALFK-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCCn2cccn2)c1 ZINC000094659493 135616673 /nfs/dbraw/zinc/61/66/73/135616673.db2.gz JDFBZFGLWHQHFW-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN Cc1cc(N[C@H]2C[C@H]2C(F)F)ncc1[N+](=O)[O-] ZINC000343832898 135708188 /nfs/dbraw/zinc/70/81/88/135708188.db2.gz DONRJFTZSJVOKJ-RQJHMYQMSA-N 0 0 243.213 2.364 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C(F)F)nc1 ZINC000348217186 136046501 /nfs/dbraw/zinc/04/65/01/136046501.db2.gz JDWQOGWINTZMHF-RNFRBKRXSA-N 0 0 229.186 2.055 20 5 BEBDRN C[C@@H]1CC[C@@H](n2cc([N+](=O)[O-])cc(F)c2=O)C1 ZINC000335357968 136074912 /nfs/dbraw/zinc/07/49/12/136074912.db2.gz GVKCIPORTYMWIP-HTQZYQBOSA-N 0 0 240.234 2.257 20 5 BEBDRN CC[C@H](C)[C@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000264775505 397919537 /nfs/dbraw/zinc/91/95/37/397919537.db2.gz HHIKRRCNAQKUSO-JOYOIKCWSA-N 0 0 238.287 2.414 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCCCCCC2)nc1 ZINC000273178593 397993399 /nfs/dbraw/zinc/99/33/99/397993399.db2.gz NVPSJFRMTMLHAP-UHFFFAOYSA-N 0 0 236.275 2.155 20 5 BEBDRN O=[N+]([O-])c1cnccc1S[C@@H]1CCCOC1 ZINC000361058366 397972819 /nfs/dbraw/zinc/97/28/19/397972819.db2.gz PDRGLHOWKNVWBL-MRVPVSSYSA-N 0 0 240.284 2.261 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@H]1CC[C@@H](O)C1 ZINC000220046497 398083420 /nfs/dbraw/zinc/08/34/20/398083420.db2.gz IIQAQRGQOFSDRM-VHSXEESVSA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@@H]1CC[C@@H](O)C1 ZINC000220046437 398083434 /nfs/dbraw/zinc/08/34/34/398083434.db2.gz IIQAQRGQOFSDRM-NXEZZACHSA-N 0 0 236.271 2.168 20 5 BEBDRN CC/C=C\CCn1c(C)ncc1[N+](=O)[O-] ZINC000341663413 398056086 /nfs/dbraw/zinc/05/60/86/398056086.db2.gz HSEXNMVHPAOFHE-PLNGDYQASA-N 0 0 209.249 2.456 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NC1(C2(C)CC2)CC1 ZINC000398258885 322868231 /nfs/dbraw/zinc/86/82/31/322868231.db2.gz NSMULIIWEZMRRX-UHFFFAOYSA-N 0 0 236.275 2.073 20 5 BEBDRN CC(C)[C@@H]1C[C@H]1CNc1nn(C)cc1[N+](=O)[O-] ZINC001651069604 1172920013 /nfs/dbraw/zinc/92/00/13/1172920013.db2.gz ANRDQFSASIEACE-IUCAKERBSA-N 0 0 238.291 2.032 20 5 BEBDRN C=C=CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001651101416 1172922986 /nfs/dbraw/zinc/92/29/86/1172922986.db2.gz IZWJBCMSQBNLRA-UHFFFAOYSA-N 0 0 242.238 2.291 20 5 BEBDRN Cc1cncnc1NCc1ccccc1[N+](=O)[O-] ZINC001651387100 1172948703 /nfs/dbraw/zinc/94/87/03/1172948703.db2.gz LKGYQELPQOCDRE-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC(C)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000556487867 322914002 /nfs/dbraw/zinc/91/40/02/322914002.db2.gz NXPFTPIKPRUYOC-UHFFFAOYSA-N 0 0 239.275 2.087 20 5 BEBDRN CCC(C)(CC)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001651835134 1172993308 /nfs/dbraw/zinc/99/33/08/1172993308.db2.gz REUOUJJUHAFMFB-UHFFFAOYSA-N 0 0 240.263 2.083 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCc1ccc(O)cc1 ZINC000083373402 409918311 /nfs/dbraw/zinc/91/83/11/409918311.db2.gz QQPFLGHWNXRTOO-UHFFFAOYSA-N 0 0 245.238 2.308 20 5 BEBDRN CC(C)(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000298530160 166575757 /nfs/dbraw/zinc/57/57/57/166575757.db2.gz ZZJCERDBUHDYPE-UHFFFAOYSA-N 0 0 224.260 2.193 20 5 BEBDRN CC(C)OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000083228954 167161153 /nfs/dbraw/zinc/16/11/53/167161153.db2.gz AKEROPIVUFXMNZ-UHFFFAOYSA-N 0 0 223.228 2.089 20 5 BEBDRN CC/C=C/CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000295084225 167857923 /nfs/dbraw/zinc/85/79/23/167857923.db2.gz YEQSTOPNZAXWDY-SNAWJCMRSA-N 0 0 222.248 2.071 20 5 BEBDRN CC1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000336488999 168188901 /nfs/dbraw/zinc/18/89/01/168188901.db2.gz WHHPYISXVQQOLC-UHFFFAOYSA-N 0 0 235.243 2.078 20 5 BEBDRN CCC(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000050181576 168208887 /nfs/dbraw/zinc/20/88/87/168208887.db2.gz WIUKXTVRACOOGT-UHFFFAOYSA-N 0 0 227.191 2.092 20 5 BEBDRN CCC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271824565 168236716 /nfs/dbraw/zinc/23/67/16/168236716.db2.gz QROUMQMLILFPKJ-QMMMGPOBSA-N 0 0 222.244 2.182 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCC2)c1 ZINC000266181521 411471845 /nfs/dbraw/zinc/47/18/45/411471845.db2.gz YTRVUCUKMXUWOK-UHFFFAOYSA-N 0 0 234.255 2.186 20 5 BEBDRN CCN(c1c([N+](=O)[O-])nc(C)n1CC)C(C)C ZINC000288125766 169941260 /nfs/dbraw/zinc/94/12/60/169941260.db2.gz LZRJJPGQJXFKPD-UHFFFAOYSA-N 0 0 240.307 2.354 20 5 BEBDRN CCNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000268472875 170172077 /nfs/dbraw/zinc/17/20/77/170172077.db2.gz IMJSOSRRWHHXHG-UHFFFAOYSA-N 0 0 238.243 2.122 20 5 BEBDRN CCNc1nc(-c2cc([N+](=O)[O-])c[nH]2)cs1 ZINC000309973385 170175612 /nfs/dbraw/zinc/17/56/12/170175612.db2.gz QWVOJHADZKISHH-UHFFFAOYSA-N 0 0 238.272 2.478 20 5 BEBDRN CCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000053750289 170175643 /nfs/dbraw/zinc/17/56/43/170175643.db2.gz MNZFECNNYQYEPH-UHFFFAOYSA-N 0 0 234.215 2.077 20 5 BEBDRN CCOC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000035333633 170291408 /nfs/dbraw/zinc/29/14/08/170291408.db2.gz WSMBNEGIBJGZPB-UHFFFAOYSA-N 0 0 209.201 2.080 20 5 BEBDRN Cc1cc(C(=O)N[C@H]2CC2(C)C)cc([N+](=O)[O-])c1 ZINC000299240098 411581903 /nfs/dbraw/zinc/58/19/03/411581903.db2.gz QQRAPDYWJQKWFL-NSHDSACASA-N 0 0 248.282 2.432 20 5 BEBDRN CC[C@@H](CCO)CNc1ccc([N+](=O)[O-])cc1 ZINC000094957305 170818751 /nfs/dbraw/zinc/81/87/51/170818751.db2.gz ORHDRTHVFGJQKZ-JTQLQIEISA-N 0 0 238.287 2.415 20 5 BEBDRN CC[C@@H](O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000037696428 170936564 /nfs/dbraw/zinc/93/65/64/170936564.db2.gz ZYTGFCARRGKIRR-SECBINFHSA-N 0 0 225.244 2.053 20 5 BEBDRN CC[C@@H](O)COc1cc([N+](=O)[O-])ccc1C ZINC000037696652 170936575 /nfs/dbraw/zinc/93/65/75/170936575.db2.gz SCDHDJLWKOGEBY-SNVBAGLBSA-N 0 0 225.244 2.053 20 5 BEBDRN CC[C@@H](O)COc1ccc([N+](=O)[O-])c(F)c1F ZINC000296029458 170937142 /nfs/dbraw/zinc/93/71/42/170937142.db2.gz VDBPNNOKYDWZNN-ZCFIWIBFSA-N 0 0 247.197 2.023 20 5 BEBDRN CC[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000287768258 171014583 /nfs/dbraw/zinc/01/45/83/171014583.db2.gz HTHZVWBTRLYPFO-SECBINFHSA-N 0 0 235.287 2.413 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000281851689 171139214 /nfs/dbraw/zinc/13/92/14/171139214.db2.gz SDMVPSINCCPWNI-NXEZZACHSA-N 0 0 248.282 2.432 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000281843105 171140528 /nfs/dbraw/zinc/14/05/28/171140528.db2.gz REIKMADUJCVSFI-BXKDBHETSA-N 0 0 248.282 2.432 20 5 BEBDRN CC[C@H](C)CN(C)c1ccc([N+](=O)[O-])cn1 ZINC000264741599 171275887 /nfs/dbraw/zinc/27/58/87/171275887.db2.gz KMDMYIVTDRPKRJ-VIFPVBQESA-N 0 0 223.276 2.472 20 5 BEBDRN CC[C@H](C)CSc1ncc([N+](=O)[O-])c(N)n1 ZINC000268092867 171293697 /nfs/dbraw/zinc/29/36/97/171293697.db2.gz LMBJKYRPKOYUOU-LURJTMIESA-N 0 0 242.304 2.105 20 5 BEBDRN CC[C@H](C)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000075505698 171304688 /nfs/dbraw/zinc/30/46/88/171304688.db2.gz MHYBBXSXZMHEPZ-VIFPVBQESA-N 0 0 236.271 2.465 20 5 BEBDRN CC[C@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000075505702 171305139 /nfs/dbraw/zinc/30/51/39/171305139.db2.gz OOWUGHPUPKSYCD-VIFPVBQESA-N 0 0 236.271 2.465 20 5 BEBDRN CC[C@H](CNc1ccc([N+](=O)[O-])cc1)OC ZINC000336657218 171441356 /nfs/dbraw/zinc/44/13/56/171441356.db2.gz IDCYZIWXMAYFQJ-LLVKDONJSA-N 0 0 224.260 2.432 20 5 BEBDRN CC[C@H](CO)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887279 171453686 /nfs/dbraw/zinc/45/36/86/171453686.db2.gz WHHIPLDMZSLDCS-ZCFIWIBFSA-N 0 0 246.213 2.056 20 5 BEBDRN CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1C ZINC000035606421 171454716 /nfs/dbraw/zinc/45/47/16/171454716.db2.gz PVMCPLDDHMXHSZ-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN CC[C@H](O)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000127274380 171561988 /nfs/dbraw/zinc/56/19/88/171561988.db2.gz JXFRCSYSDQMVFB-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@H](O)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000127266952 171562311 /nfs/dbraw/zinc/56/23/11/171562311.db2.gz GQVUAWDNOPBMEW-NSHDSACASA-N 0 0 238.287 2.476 20 5 BEBDRN CCc1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000173999704 171784799 /nfs/dbraw/zinc/78/47/99/171784799.db2.gz DKZMBJQNIXWKAM-UHFFFAOYSA-N 0 0 234.255 2.049 20 5 BEBDRN CCc1nn(C)c(NCCC(C)C)c1[N+](=O)[O-] ZINC000091560824 172038690 /nfs/dbraw/zinc/03/86/90/172038690.db2.gz FMVVTHTWEXBFAC-UHFFFAOYSA-N 0 0 240.307 2.349 20 5 BEBDRN CCc1nn(C)c(Oc2cccnc2)c1[N+](=O)[O-] ZINC000360892641 172039050 /nfs/dbraw/zinc/03/90/50/172039050.db2.gz SFDWWDYWTHDLMX-UHFFFAOYSA-N 0 0 248.242 2.078 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1C ZINC000288850523 172137269 /nfs/dbraw/zinc/13/72/69/172137269.db2.gz KKQFJSNEDMPXCY-MRVPVSSYSA-N 0 0 238.291 2.108 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NC1CCCC1 ZINC000336711686 172137875 /nfs/dbraw/zinc/13/78/75/172137875.db2.gz NLXJEIWRGYDEJF-UHFFFAOYSA-N 0 0 238.291 2.474 20 5 BEBDRN CCn1cc(CNc2ccccc2[N+](=O)[O-])cn1 ZINC000234217087 172175201 /nfs/dbraw/zinc/17/52/01/172175201.db2.gz YGLSNWXDGITRFB-UHFFFAOYSA-N 0 0 246.270 2.423 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCCCC1 ZINC000195328526 172248253 /nfs/dbraw/zinc/24/82/53/172248253.db2.gz OSMUNQWOFPQULQ-UHFFFAOYSA-N 0 0 238.291 2.110 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NCC(C)C ZINC000085022208 172248295 /nfs/dbraw/zinc/24/82/95/172248295.db2.gz GEGUWADTZUVJDW-UHFFFAOYSA-N 0 0 226.280 2.188 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N(C)CC(C)C ZINC000280711618 172248546 /nfs/dbraw/zinc/24/85/46/172248546.db2.gz LJLUNGGZYBJIHV-UHFFFAOYSA-N 0 0 240.307 2.212 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[C@H]1C ZINC000336721942 172248712 /nfs/dbraw/zinc/24/87/12/172248712.db2.gz XSRXZKXVXFIHKA-APPZFPTMSA-N 0 0 238.291 2.330 20 5 BEBDRN CN(C(=O)CCC1CC1)c1ccc([N+](=O)[O-])nc1 ZINC000288779683 172303326 /nfs/dbraw/zinc/30/33/26/172303326.db2.gz JBRMGZXJQNGUEV-UHFFFAOYSA-N 0 0 249.270 2.143 20 5 BEBDRN CN(C(=O)Cc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000172697677 172315090 /nfs/dbraw/zinc/31/50/90/172315090.db2.gz UODOKYGDPMATQJ-UHFFFAOYSA-N 0 0 248.282 2.148 20 5 BEBDRN CN(CC1CCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000110466502 172655270 /nfs/dbraw/zinc/65/52/70/172655270.db2.gz IECADKRLMWOQDC-UHFFFAOYSA-N 0 0 248.282 2.467 20 5 BEBDRN COCCCCCNc1ccc([N+](=O)[O-])cn1 ZINC000058554115 174184763 /nfs/dbraw/zinc/18/47/63/174184763.db2.gz LWVBLMRTSSJVHZ-UHFFFAOYSA-N 0 0 239.275 2.218 20 5 BEBDRN COCCCN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000268063866 174220556 /nfs/dbraw/zinc/22/05/56/174220556.db2.gz ZNUWNEBRGURUKI-UHFFFAOYSA-N 0 0 238.287 2.376 20 5 BEBDRN COCCCNc1ccc([N+](=O)[O-])cc1C ZINC000036950043 174251836 /nfs/dbraw/zinc/25/18/36/174251836.db2.gz NKGAYJQLIXHYQX-UHFFFAOYSA-N 0 0 224.260 2.352 20 5 BEBDRN COCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000021787408 174341939 /nfs/dbraw/zinc/34/19/39/174341939.db2.gz XKTDOHISVJCLJT-UHFFFAOYSA-N 0 0 230.651 2.307 20 5 BEBDRN COCCSc1ccc([N+](=O)[O-])c(C)n1 ZINC000268431789 174376168 /nfs/dbraw/zinc/37/61/68/174376168.db2.gz BDPTXPAWRJAXKV-UHFFFAOYSA-N 0 0 228.273 2.037 20 5 BEBDRN COCC[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000090692433 174387758 /nfs/dbraw/zinc/38/77/58/174387758.db2.gz XLFYRWGPBLAHDE-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN COC[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000310380821 174551943 /nfs/dbraw/zinc/55/19/43/174551943.db2.gz JCVBABJDYJFPPZ-QMMMGPOBSA-N 0 0 242.250 2.489 20 5 BEBDRN COC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000265849092 174605956 /nfs/dbraw/zinc/60/59/56/174605956.db2.gz VCPWKSPSDGDKRW-JTQLQIEISA-N 0 0 236.271 2.068 20 5 BEBDRN CON(C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000301087371 174660250 /nfs/dbraw/zinc/66/02/50/174660250.db2.gz QOBQOHSVQDKUDH-UHFFFAOYSA-N 0 0 233.227 2.141 20 5 BEBDRN CO[C@@H](C)CN(C)c1ccc([N+](=O)[O-])cc1C ZINC000286272838 174695584 /nfs/dbraw/zinc/69/55/84/174695584.db2.gz FUXDYPORKZMMQT-JTQLQIEISA-N 0 0 238.287 2.374 20 5 BEBDRN CO[C@@H](C)COc1cc(C)ccc1[N+](=O)[O-] ZINC000180934457 174707714 /nfs/dbraw/zinc/70/77/14/174707714.db2.gz UNRIRSUXHNMTGO-VIFPVBQESA-N 0 0 225.244 2.317 20 5 BEBDRN CO[C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000265005993 174721070 /nfs/dbraw/zinc/72/10/70/174721070.db2.gz OPUOLSRKFVPVAB-ZETCQYMHSA-N 0 0 249.226 2.352 20 5 BEBDRN CO[C@H](C)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000359774288 174837529 /nfs/dbraw/zinc/83/75/29/174837529.db2.gz USXYIZDXTZKQCB-SSDOTTSWSA-N 0 0 229.207 2.148 20 5 BEBDRN CO[C@H](C)[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000290803230 174845594 /nfs/dbraw/zinc/84/55/94/174845594.db2.gz YULHJLXWZQIUON-RKDXNWHRSA-N 0 0 239.275 2.134 20 5 BEBDRN COc1ccc(NC(=O)C2=CCC2)cc1[N+](=O)[O-] ZINC000360002284 175140919 /nfs/dbraw/zinc/14/09/19/175140919.db2.gz DNRNCFBITBJFHP-UHFFFAOYSA-N 0 0 248.238 2.262 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1OC[C@H](C)OC ZINC000180895348 175200961 /nfs/dbraw/zinc/20/09/61/175200961.db2.gz SXZNHQGCINCLAA-QMMMGPOBSA-N 0 0 241.243 2.017 20 5 BEBDRN CSCCCNc1ncccc1[N+](=O)[O-] ZINC000069012738 175488254 /nfs/dbraw/zinc/48/82/54/175488254.db2.gz BXBAWQNTSUXCON-UHFFFAOYSA-N 0 0 227.289 2.155 20 5 BEBDRN C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000135250987 175933947 /nfs/dbraw/zinc/93/39/47/175933947.db2.gz XHPIMJPQOVKMCR-NXEZZACHSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@@H](c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1)C1CC1 ZINC000273837443 176040302 /nfs/dbraw/zinc/04/03/02/176040302.db2.gz BIHOSUFPVRQVBT-ZCFIWIBFSA-N 0 0 248.242 2.486 20 5 BEBDRN C[C@@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000040454447 176089396 /nfs/dbraw/zinc/08/93/96/176089396.db2.gz FUTNEMMLECPIDJ-PSASIEDQSA-N 0 0 236.275 2.375 20 5 BEBDRN C[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000005515838 176095895 /nfs/dbraw/zinc/09/58/95/176095895.db2.gz MUNHDJSXVJPOIV-SNVBAGLBSA-N 0 0 248.282 2.467 20 5 BEBDRN C[C@@H]1CCCN1c1cc(N)ccc1[N+](=O)[O-] ZINC000193459306 176111884 /nfs/dbraw/zinc/11/18/84/176111884.db2.gz MMQSRFLFVZZISQ-MRVPVSSYSA-N 0 0 221.260 2.166 20 5 BEBDRN C[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000252814324 176214934 /nfs/dbraw/zinc/21/49/34/176214934.db2.gz SXDLRUANAHRUJJ-KYZUINATSA-N 0 0 236.275 2.375 20 5 BEBDRN C[C@@H]1CC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000336686862 176217584 /nfs/dbraw/zinc/21/75/84/176217584.db2.gz LCLWCMLHVOQMGD-SFYZADRCSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000267611112 176319152 /nfs/dbraw/zinc/31/91/52/176319152.db2.gz GTRSPNRSXCJTAW-RKDXNWHRSA-N 0 0 221.260 2.082 20 5 BEBDRN C[C@@H]1CSC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000309795210 176354209 /nfs/dbraw/zinc/35/42/09/176354209.db2.gz QADIYYSEXOSCMW-SFYZADRCSA-N 0 0 239.300 2.153 20 5 BEBDRN C[C@@H]1OCC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000147486075 176481179 /nfs/dbraw/zinc/48/11/79/176481179.db2.gz XQGGJNIIPLBJNQ-IONNQARKSA-N 0 0 240.234 2.323 20 5 BEBDRN C[C@H](N(C)c1ncc([N+](=O)[O-])cn1)C1(C)CC1 ZINC000274055537 176746005 /nfs/dbraw/zinc/74/60/05/176746005.db2.gz ZHHAUHGRKMUFBY-QMMMGPOBSA-N 0 0 236.275 2.010 20 5 BEBDRN C[C@@H](CO)[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000077228133 176933233 /nfs/dbraw/zinc/93/32/33/176933233.db2.gz NEUVAQHGQFEQBD-YUMQZZPRSA-N 0 0 242.250 2.163 20 5 BEBDRN C[C@H](O)C[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000310189817 177001205 /nfs/dbraw/zinc/00/12/05/177001205.db2.gz XMHKKOUGZJVCFZ-YUMQZZPRSA-N 0 0 242.250 2.305 20 5 BEBDRN C[C@@H](O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000087138670 177022600 /nfs/dbraw/zinc/02/26/00/177022600.db2.gz BUDKBEDGXPOXPT-RQJHMYQMSA-N 0 0 245.662 2.396 20 5 BEBDRN C[C@H]1CCCCCN1c1c([N+](=O)[O-])ncn1C ZINC000358212274 177070718 /nfs/dbraw/zinc/07/07/18/177070718.db2.gz PQHXPNOUHPCNDM-VIFPVBQESA-N 0 0 238.291 2.097 20 5 BEBDRN C[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000190299869 177105349 /nfs/dbraw/zinc/10/53/49/177105349.db2.gz RQURPDFFJMQIMF-ZETCQYMHSA-N 0 0 227.289 2.288 20 5 BEBDRN C[C@H]1CCCN1c1cc(N)ccc1[N+](=O)[O-] ZINC000193459322 177111722 /nfs/dbraw/zinc/11/17/22/177111722.db2.gz MMQSRFLFVZZISQ-QMMMGPOBSA-N 0 0 221.260 2.166 20 5 BEBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000274637541 177170793 /nfs/dbraw/zinc/17/07/93/177170793.db2.gz DRSVMLLZCDTWNT-ZETCQYMHSA-N 0 0 239.250 2.162 20 5 BEBDRN C[C@H]1CC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000336700439 177207427 /nfs/dbraw/zinc/20/74/27/177207427.db2.gz PIJOJDMUTUWXDF-IONNQARKSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000293899623 177218577 /nfs/dbraw/zinc/21/85/77/177218577.db2.gz BWVDPGUTDIIVJD-VHSXEESVSA-N 0 0 248.282 2.004 20 5 BEBDRN C[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301932800 177279439 /nfs/dbraw/zinc/27/94/39/177279439.db2.gz MWJVTOGYWXVIGI-OCAPTIKFSA-N 0 0 242.300 2.270 20 5 BEBDRN C[C@H]1C[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000136088043 177345512 /nfs/dbraw/zinc/34/55/12/177345512.db2.gz FNJIPIQYMWJCPA-JGVFFNPUSA-N 0 0 207.233 2.058 20 5 BEBDRN C[C@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000124333446 177345772 /nfs/dbraw/zinc/34/57/72/177345772.db2.gz OEHFEMABHSXWCN-JGVFFNPUSA-N 0 0 207.233 2.058 20 5 BEBDRN C[C@H]1C[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000075527980 177346458 /nfs/dbraw/zinc/34/64/58/177346458.db2.gz DMLLGPLCCCYNQW-BZGQNNPNSA-N 0 0 246.266 2.133 20 5 BEBDRN C[C@H]1C[C@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000352912111 177378802 /nfs/dbraw/zinc/37/88/02/177378802.db2.gz JBHLAYXLHNXACZ-ONGXEEELSA-N 0 0 248.282 2.257 20 5 BEBDRN C[C@H]1C[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000226776113 177382556 /nfs/dbraw/zinc/38/25/56/177382556.db2.gz JYXADHGOPQYTKO-WDSKDSINSA-N 0 0 213.262 2.119 20 5 BEBDRN C[C@H]1C[C@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000075527987 177383015 /nfs/dbraw/zinc/38/30/15/177383015.db2.gz DMLLGPLCCCYNQW-DLJWJUBYSA-N 0 0 246.266 2.133 20 5 BEBDRN C[C@H]1OCC[C@H]1Sc1ccc([N+](=O)[O-])cn1 ZINC000269978813 177409134 /nfs/dbraw/zinc/40/91/34/177409134.db2.gz ZSRGTRHATMTALG-VXNVDRBHSA-N 0 0 240.284 2.259 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)[C@H]1C ZINC000267602132 177427821 /nfs/dbraw/zinc/42/78/21/177427821.db2.gz FOJFUEKQMPPZLF-BDAKNGLRSA-N 0 0 221.260 2.225 20 5 BEBDRN CCO[C@@H](C)COc1c(O)cccc1[N+](=O)[O-] ZINC001226341741 974865232 /nfs/dbraw/zinc/86/52/32/974865232.db2.gz TUGZUCKRXSSQBG-QMMMGPOBSA-N 0 0 241.243 2.104 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NCC(F)F ZINC000075060195 487825692 /nfs/dbraw/zinc/82/56/92/487825692.db2.gz XSDDOGARGRDWMU-UHFFFAOYSA-N 0 0 220.150 2.411 20 5 BEBDRN CC(F)(F)CNc1ncc([N+](=O)[O-])cc1F ZINC000569450635 322966454 /nfs/dbraw/zinc/96/64/54/322966454.db2.gz GNDWLTQYRFDAJY-UHFFFAOYSA-N 0 0 235.165 2.196 20 5 BEBDRN CC(=O)CCCSc1ccc([N+](=O)[O-])cn1 ZINC000160250188 323064496 /nfs/dbraw/zinc/06/44/96/323064496.db2.gz SRRMWJJNWXRVME-UHFFFAOYSA-N 0 0 240.284 2.451 20 5 BEBDRN Cc1nccn1Cc1ccccc1[N+](=O)[O-] ZINC000070163320 323169998 /nfs/dbraw/zinc/16/99/98/323169998.db2.gz DXHCDQDAMPQOAJ-UHFFFAOYSA-N 0 0 217.228 2.148 20 5 BEBDRN O=C(NC1(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000532123461 323206427 /nfs/dbraw/zinc/20/64/27/323206427.db2.gz JKKUHKIQFJGRLJ-UHFFFAOYSA-N 0 0 246.266 2.267 20 5 BEBDRN COCCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103463200 323250290 /nfs/dbraw/zinc/25/02/90/323250290.db2.gz QBYJGYOCZMVYPL-UHFFFAOYSA-N 0 0 247.254 2.105 20 5 BEBDRN Cc1nc(N2[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000530379580 323383708 /nfs/dbraw/zinc/38/37/08/323383708.db2.gz JGZJHBHVGRHXHK-OCAPTIKFSA-N 0 0 221.260 2.285 20 5 BEBDRN Cc1ccc(Cn2cccc([N+](=O)[O-])c2=O)cc1 ZINC000161688026 323556996 /nfs/dbraw/zinc/55/69/96/323556996.db2.gz KVKRRYQZOGKSNV-UHFFFAOYSA-N 0 0 244.250 2.113 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1C2CCC1CC2 ZINC000539997548 324881422 /nfs/dbraw/zinc/88/14/22/324881422.db2.gz USKUALDINSJSFD-UHFFFAOYSA-N 0 0 233.271 2.429 20 5 BEBDRN CC(C)c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000544936259 325168252 /nfs/dbraw/zinc/16/82/52/325168252.db2.gz GBQQXHKINRVWBQ-UHFFFAOYSA-N 0 0 236.231 2.107 20 5 BEBDRN C[C@@H]1C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000545058265 325173682 /nfs/dbraw/zinc/17/36/82/325173682.db2.gz VWCOVFKNMVRGQP-RITPCOANSA-N 0 0 234.215 2.096 20 5 BEBDRN C[C@@H]1C[C@@H]1c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000545062973 325174583 /nfs/dbraw/zinc/17/45/83/325174583.db2.gz LDYMIMFWDQASBU-SVRRBLITSA-N 0 0 248.242 2.107 20 5 BEBDRN CC(C)c1noc(-c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000546261645 325275245 /nfs/dbraw/zinc/27/52/45/325275245.db2.gz CRHCZHVUDPYSKP-UHFFFAOYSA-N 0 0 222.204 2.096 20 5 BEBDRN C[C@@H]1CCCC[C@@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000564345802 325446578 /nfs/dbraw/zinc/44/65/78/325446578.db2.gz DNNQNJQXNOXTJW-RKDXNWHRSA-N 0 0 224.264 2.013 20 5 BEBDRN CCc1nccn1Cc1csc([N+](=O)[O-])c1 ZINC000158376320 326316605 /nfs/dbraw/zinc/31/66/05/326316605.db2.gz MMDBKAJMDGJLFJ-UHFFFAOYSA-N 0 0 237.284 2.464 20 5 BEBDRN C[C@@H](C1CC1)N(C)c1ncc([N+](=O)[O-])s1 ZINC000568711215 326373198 /nfs/dbraw/zinc/37/31/98/326373198.db2.gz GNOMJDBBAODNPW-LURJTMIESA-N 0 0 227.289 2.286 20 5 BEBDRN O=C(NC[C@@H]1CC12CC2)c1ccccc1[N+](=O)[O-] ZINC000416053748 487991007 /nfs/dbraw/zinc/99/10/07/487991007.db2.gz DWBAEIJHJNWHOT-VIFPVBQESA-N 0 0 246.266 2.125 20 5 BEBDRN Cc1cccc(C)c1Cn1nccc1[N+](=O)[O-] ZINC000133475696 487500784 /nfs/dbraw/zinc/50/07/84/487500784.db2.gz NOFGMYFTHNPCAW-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN C[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1F ZINC000335493405 490305118 /nfs/dbraw/zinc/30/51/18/490305118.db2.gz CGJCSZLWICKIEE-KOLCDFICSA-N 0 0 238.218 2.281 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1C[C@@H]2CCC[C@H]2C1 ZINC000610685427 491122148 /nfs/dbraw/zinc/12/21/48/491122148.db2.gz MSMUYXINDNYUNI-UWVGGRQHSA-N 0 0 233.271 2.226 20 5 BEBDRN CC(C)CN(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000075432892 491124730 /nfs/dbraw/zinc/12/47/30/491124730.db2.gz QOMMQFFEINPUMN-UHFFFAOYSA-N 0 0 242.300 2.384 20 5 BEBDRN CC[C@@H](CC(=O)OC[C@@H](C)[N+](=O)[O-])C(C)C ZINC000813108272 582586322 /nfs/dbraw/zinc/58/63/22/582586322.db2.gz XBWWUVJWXWEGPW-ZJUUUORDSA-N 0 0 231.292 2.267 20 5 BEBDRN Cc1c(NC(=O)NC(C)C)cccc1[N+](=O)[O-] ZINC000047463875 518186066 /nfs/dbraw/zinc/18/60/66/518186066.db2.gz UCBSVMOPSUICDH-UHFFFAOYSA-N 0 0 237.259 2.433 20 5 BEBDRN CC(=O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000166805342 534726573 /nfs/dbraw/zinc/72/65/73/534726573.db2.gz WUXKCVMNEXOMAP-UHFFFAOYSA-N 0 0 227.191 2.010 20 5 BEBDRN CC(C)(CO)CNc1ccccc1[N+](=O)[O-] ZINC000088170394 535167410 /nfs/dbraw/zinc/16/74/10/535167410.db2.gz OGRONNVYMRKVAV-UHFFFAOYSA-N 0 0 224.260 2.025 20 5 BEBDRN COc1cc(N(C)OC)c(Cl)cc1[N+](=O)[O-] ZINC000853088720 588719442 /nfs/dbraw/zinc/71/94/42/588719442.db2.gz GTZJUXMKYZOCKD-UHFFFAOYSA-N 0 0 246.650 2.254 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H]2C[C@H]21 ZINC000853569244 588749062 /nfs/dbraw/zinc/74/90/62/588749062.db2.gz NLBJPWGXLIGHFE-POYBYMJQSA-N 0 0 239.662 2.242 20 5 BEBDRN C[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])[C@@H]1C ZINC000853649759 588752374 /nfs/dbraw/zinc/75/23/74/588752374.db2.gz CMEAEAYOFLCWHS-RKDXNWHRSA-N 0 0 246.270 2.087 20 5 BEBDRN CC1=NO[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000853660999 588753505 /nfs/dbraw/zinc/75/35/05/588753505.db2.gz NDWJLWXUZNEVPF-ZETCQYMHSA-N 0 0 241.272 2.233 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N[C@@H]2C=CCC2)c1 ZINC000853800027 588763974 /nfs/dbraw/zinc/76/39/74/588763974.db2.gz OEQIHFJBAFKBOC-SECBINFHSA-N 0 0 219.244 2.308 20 5 BEBDRN Nc1ccc(N[C@H]2C=CCC2)c([N+](=O)[O-])c1 ZINC000853800742 588764082 /nfs/dbraw/zinc/76/40/82/588764082.db2.gz YRZKEBIKXXBIEO-VIFPVBQESA-N 0 0 219.244 2.308 20 5 BEBDRN CCCCC(=O)OCc1onc(C)c1[N+](=O)[O-] ZINC000853882760 588767273 /nfs/dbraw/zinc/76/72/73/588767273.db2.gz SEHWVZBKKCJDSZ-UHFFFAOYSA-N 0 0 242.231 2.125 20 5 BEBDRN Cc1c(C(=O)N[C@@H]2C=CCC2)cccc1[N+](=O)[O-] ZINC000855420292 588832468 /nfs/dbraw/zinc/83/24/68/588832468.db2.gz SYCPSHIZCMFITO-SNVBAGLBSA-N 0 0 246.266 2.352 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]3C[C@H]32)n1 ZINC000804784660 582556603 /nfs/dbraw/zinc/55/66/03/582556603.db2.gz QSRWADVKKLFELK-GXSJLCMTSA-N 0 0 233.271 2.287 20 5 BEBDRN CON(CC(C)(C)C)c1cccnc1[N+](=O)[O-] ZINC000804815523 582564334 /nfs/dbraw/zinc/56/43/34/582564334.db2.gz VVCVVDGLJNBCFI-UHFFFAOYSA-N 0 0 239.275 2.404 20 5 BEBDRN C/C(=C/C(=O)OC[C@@H](C)[N+](=O)[O-])C(C)(C)C ZINC000813104586 582580792 /nfs/dbraw/zinc/58/07/92/582580792.db2.gz PBCBGCAVKBSQDS-JGAIRUGNSA-N 0 0 229.276 2.187 20 5 BEBDRN C[C@@H](COC(=O)[C@@H]1CCCC(C)(C)C1)[N+](=O)[O-] ZINC000813115376 582591988 /nfs/dbraw/zinc/59/19/88/582591988.db2.gz QIABZMZBALVLNZ-VHSXEESVSA-N 0 0 243.303 2.411 20 5 BEBDRN CCOC(=O)c1cc([N+](=O)[O-])c(NC)cc1C ZINC000891413611 582680685 /nfs/dbraw/zinc/68/06/85/582680685.db2.gz XJKFKYJTSAASTO-UHFFFAOYSA-N 0 0 238.243 2.122 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1SC1CCCC1 ZINC000891438141 582685403 /nfs/dbraw/zinc/68/54/03/582685403.db2.gz GVKAOBCCVQFKBM-UHFFFAOYSA-N 0 0 227.289 2.363 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@H]1C ZINC000891822710 582726737 /nfs/dbraw/zinc/72/67/37/582726737.db2.gz DJRKCNNVXYOVFO-HTQZYQBOSA-N 0 0 237.259 2.066 20 5 BEBDRN CCC[C@H](CC)Nc1c([N+](=O)[O-])cnn1C ZINC000892097487 582789947 /nfs/dbraw/zinc/78/99/47/582789947.db2.gz YOTMLOXFPORKRC-QMMMGPOBSA-N 0 0 226.280 2.319 20 5 BEBDRN C[C@H](CNc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000114312514 588873148 /nfs/dbraw/zinc/87/31/48/588873148.db2.gz IEACBLKYASVNEJ-MRVPVSSYSA-N 0 0 240.307 2.422 20 5 BEBDRN CC[C@@H]1CCC[C@@]1(C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000893077784 583043527 /nfs/dbraw/zinc/04/35/27/583043527.db2.gz VCLGXZVSSOEHNV-HOSYDEDBSA-N 0 0 243.303 2.411 20 5 BEBDRN CCSCCSc1c([N+](=O)[O-])cnn1C ZINC000893178579 583064786 /nfs/dbraw/zinc/06/47/86/583064786.db2.gz DLEKOCUETLNUIN-UHFFFAOYSA-N 0 0 247.345 2.174 20 5 BEBDRN CC(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000204016925 583211880 /nfs/dbraw/zinc/21/18/80/583211880.db2.gz LFXZGYPVUCNXSC-UHFFFAOYSA-N 0 0 212.180 2.001 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC3(C2)CCOCC3)cc1 ZINC000893940790 583255217 /nfs/dbraw/zinc/25/52/17/583255217.db2.gz QFOSCOPZBRYWLR-UHFFFAOYSA-N 0 0 248.282 2.212 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)/C=C/C1CCCCC1 ZINC000814044968 583338901 /nfs/dbraw/zinc/33/89/01/583338901.db2.gz WMJWCIUBVIMMPO-JARNTUPDSA-N 0 0 241.287 2.331 20 5 BEBDRN Cc1cccc(C(=O)O[C@H](C)C[N+](=O)[O-])c1C ZINC000814048228 583339384 /nfs/dbraw/zinc/33/93/84/583339384.db2.gz ROBJXADLVFQJQK-SECBINFHSA-N 0 0 237.255 2.125 20 5 BEBDRN C=C/C=C\CCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000877888804 583352322 /nfs/dbraw/zinc/35/23/22/583352322.db2.gz OEHWGWDXTMTJCQ-PLNGDYQASA-N 0 0 234.255 2.197 20 5 BEBDRN CC[C@H](C)N(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](C)CC ZINC000841171940 583388754 /nfs/dbraw/zinc/38/87/54/583388754.db2.gz BJPRMWKLUPKJAR-UKKRHICBSA-N 0 0 242.319 2.077 20 5 BEBDRN CC(C)[C@@H](Nc1c([N+](=O)[O-])cnn1C)C1CC1 ZINC000894601316 583491443 /nfs/dbraw/zinc/49/14/43/583491443.db2.gz KIKWYFVBIFBANL-SNVBAGLBSA-N 0 0 238.291 2.175 20 5 BEBDRN CC(C)OC1CN(c2sccc2[N+](=O)[O-])C1 ZINC000894967911 583560792 /nfs/dbraw/zinc/56/07/92/583560792.db2.gz QOIBMWCXOSDGBI-UHFFFAOYSA-N 0 0 242.300 2.270 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000882487288 583618090 /nfs/dbraw/zinc/61/80/90/583618090.db2.gz UGRRKSCJIIEKDA-RNLVFQAGSA-N 0 0 237.234 2.339 20 5 BEBDRN Cc1cc(SC[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000882738191 583630878 /nfs/dbraw/zinc/63/08/78/583630878.db2.gz MSWGTDKJTSAGFK-MRVPVSSYSA-N 0 0 227.285 2.376 20 5 BEBDRN CN(CCCF)C(=O)c1ccccc1[N+](=O)[O-] ZINC000895279609 583635815 /nfs/dbraw/zinc/63/58/15/583635815.db2.gz JJSUMPVGFOUDNN-UHFFFAOYSA-N 0 0 240.234 2.026 20 5 BEBDRN CN(CCCF)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000895282216 583635834 /nfs/dbraw/zinc/63/58/34/583635834.db2.gz IITQGKOQLJVDPA-UHFFFAOYSA-N 0 0 240.234 2.026 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC(=O)CC[C@@H]2C)c1 ZINC000896338495 583793171 /nfs/dbraw/zinc/79/31/71/583793171.db2.gz DZXYYKJVXZYRJC-JTQLQIEISA-N 0 0 248.282 2.461 20 5 BEBDRN CCO[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000896405730 583799889 /nfs/dbraw/zinc/79/98/89/583799889.db2.gz NGZJWWCRUFMAJE-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN CCO[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000896409795 583800364 /nfs/dbraw/zinc/80/03/64/583800364.db2.gz QFUJRJWBIFNMTG-LBPRGKRZSA-N 0 0 236.271 2.210 20 5 BEBDRN Cc1cc(N[C@H]2C[C@H](CO)C2)c([N+](=O)[O-])s1 ZINC000896690999 583822534 /nfs/dbraw/zinc/82/25/34/583822534.db2.gz JUFHJTNYFJXMLQ-ZKCHVHJHSA-N 0 0 242.300 2.148 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NCC(C)(C)C1CC1 ZINC000896785805 583833897 /nfs/dbraw/zinc/83/38/97/583833897.db2.gz LOOGIDNUTMQGOI-UHFFFAOYSA-N 0 0 238.291 2.176 20 5 BEBDRN O=[N+]([O-])c1cnc(SC2COC2)c(Cl)c1 ZINC000896959866 583863564 /nfs/dbraw/zinc/86/35/64/583863564.db2.gz GJGPGTYWOCVFRK-UHFFFAOYSA-N 0 0 246.675 2.134 20 5 BEBDRN Cc1cc(SC2COC2)ccc1[N+](=O)[O-] ZINC000896957912 583864620 /nfs/dbraw/zinc/86/46/20/583864620.db2.gz FUAAPYZJUCTZJN-UHFFFAOYSA-N 0 0 225.269 2.394 20 5 BEBDRN O=[N+]([O-])c1ccccc1SC1COC1 ZINC000896958743 583864710 /nfs/dbraw/zinc/86/47/10/583864710.db2.gz OKSSRWBDRRYYQH-UHFFFAOYSA-N 0 0 211.242 2.086 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1SC1COC1 ZINC000896961105 583865613 /nfs/dbraw/zinc/86/56/13/583865613.db2.gz UIFZQNMVWFVJCO-UHFFFAOYSA-N 0 0 246.675 2.134 20 5 BEBDRN CO[C@@H]1CC[C@H]1N(C)c1ccccc1[N+](=O)[O-] ZINC000897149277 583885013 /nfs/dbraw/zinc/88/50/13/583885013.db2.gz RRDQTEDTTYJEGE-VXGBXAGGSA-N 0 0 236.271 2.208 20 5 BEBDRN CO[C@@H]1CC[C@@H]1N(C)c1ccc([N+](=O)[O-])s1 ZINC000897149480 583885015 /nfs/dbraw/zinc/88/50/15/583885015.db2.gz SXJZLEQSNRUCNQ-JGVFFNPUSA-N 0 0 242.300 2.270 20 5 BEBDRN CO[C@H]1CC[C@@H]1N(C)c1sccc1[N+](=O)[O-] ZINC000897147747 583886247 /nfs/dbraw/zinc/88/62/47/583886247.db2.gz QJGURFURFYUYSO-CBAPKCEASA-N 0 0 242.300 2.270 20 5 BEBDRN C[C@@H]1CC=CC[C@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000897392856 583948690 /nfs/dbraw/zinc/94/86/90/583948690.db2.gz QLJFMWFJUUDXBZ-RKDXNWHRSA-N 0 0 236.275 2.095 20 5 BEBDRN C/C=C\COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000729075497 583951495 /nfs/dbraw/zinc/95/14/95/583951495.db2.gz HIHHZLWOYZHMLL-IHWYPQMZSA-N 0 0 235.239 2.257 20 5 BEBDRN C[C@@H]1C[C@@H]1COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000729091191 583955719 /nfs/dbraw/zinc/95/57/19/583955719.db2.gz RQOXJSZGQVBCSF-MWLCHTKSSA-N 0 0 249.266 2.337 20 5 BEBDRN CC(C)(F)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000785924456 584015723 /nfs/dbraw/zinc/01/57/23/584015723.db2.gz PWCXRISZPKWYFV-UHFFFAOYSA-N 0 0 241.218 2.500 20 5 BEBDRN Cc1ccc(Cl)c(OCC[N+](=O)[O-])c1 ZINC000899231518 584183059 /nfs/dbraw/zinc/18/30/59/584183059.db2.gz QPGXISMFEXTNHN-UHFFFAOYSA-N 0 0 215.636 2.304 20 5 BEBDRN CC1(C)Cc2cccc(OCC[N+](=O)[O-])c2O1 ZINC000899231089 584183107 /nfs/dbraw/zinc/18/31/07/584183107.db2.gz NRQHTIKEMBSJQR-UHFFFAOYSA-N 0 0 237.255 2.056 20 5 BEBDRN O=[N+]([O-])CCOc1cc(F)ccc1Cl ZINC000899232812 584183310 /nfs/dbraw/zinc/18/33/10/584183310.db2.gz VWUKEUCKBHHOKJ-UHFFFAOYSA-N 0 0 219.599 2.135 20 5 BEBDRN Cc1nc2ccccc2c(SCC[N+](=O)[O-])n1 ZINC000899859824 584242904 /nfs/dbraw/zinc/24/29/04/584242904.db2.gz DEJWUUGZHPGEBG-UHFFFAOYSA-N 0 0 249.295 2.307 20 5 BEBDRN O=[N+]([O-])CCSc1c(F)cc(F)cc1F ZINC000899874005 584245021 /nfs/dbraw/zinc/24/50/21/584245021.db2.gz XIRIRJZBDMIZFE-UHFFFAOYSA-N 0 0 237.202 2.473 20 5 BEBDRN O=[N+]([O-])CC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000899873568 584245660 /nfs/dbraw/zinc/24/56/60/584245660.db2.gz RTIXTXVDZODRAZ-LLVKDONJSA-N 0 0 240.690 2.194 20 5 BEBDRN O=[N+]([O-])CCNCc1cc(Cl)cc(Cl)c1 ZINC000899890447 584245923 /nfs/dbraw/zinc/24/59/23/584245923.db2.gz CHGMLAJRHVTCQT-UHFFFAOYSA-N 0 0 249.097 2.360 20 5 BEBDRN Cc1ccc2oc(CNCC[N+](=O)[O-])cc2c1 ZINC000899891041 584246005 /nfs/dbraw/zinc/24/60/05/584246005.db2.gz HAUSPOYGBRMHJR-UHFFFAOYSA-N 0 0 234.255 2.108 20 5 BEBDRN CCc1csc(SCC[N+](=O)[O-])n1 ZINC000899893198 584249092 /nfs/dbraw/zinc/24/90/92/584249092.db2.gz LXONFPYOZYXAFF-UHFFFAOYSA-N 0 0 218.303 2.074 20 5 BEBDRN O=[N+]([O-])CCSC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000901587566 584465108 /nfs/dbraw/zinc/46/51/08/584465108.db2.gz SSHWVVQFXRUEFR-AYMMMOKOSA-N 0 0 201.291 2.042 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1CSC1COC1 ZINC000901632179 584471897 /nfs/dbraw/zinc/47/18/97/584471897.db2.gz FPNAYINGTACWQK-UHFFFAOYSA-N 0 0 243.259 2.366 20 5 BEBDRN CO[C@@H](C)COc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000902696532 584654245 /nfs/dbraw/zinc/65/42/45/584654245.db2.gz CQHXVLAWBWCYRT-LURJTMIESA-N 0 0 247.197 2.287 20 5 BEBDRN O=C1CCCN1/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000876500832 584885604 /nfs/dbraw/zinc/88/56/04/584885604.db2.gz IVNBMZBCKBCLHC-VQHVLOKHSA-N 0 0 232.239 2.188 20 5 BEBDRN CC(C)(CCC(=O)NCCCC1CC1)[N+](=O)[O-] ZINC000825940733 584894058 /nfs/dbraw/zinc/89/40/58/584894058.db2.gz GKGSUJCZLZGRJE-UHFFFAOYSA-N 0 0 242.319 2.128 20 5 BEBDRN C/C=C/C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737583670 585036727 /nfs/dbraw/zinc/03/67/27/585036727.db2.gz IZVWALCHPBFZMX-DUXPYHPUSA-N 0 0 232.239 2.060 20 5 BEBDRN C[C@H]1CCCCCN1Cn1nccc1[N+](=O)[O-] ZINC000738227130 585041896 /nfs/dbraw/zinc/04/18/96/585041896.db2.gz RVRAXOIGDHLEGV-JTQLQIEISA-N 0 0 238.291 2.013 20 5 BEBDRN CC(C)CCCCC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000838972282 585083110 /nfs/dbraw/zinc/08/31/10/585083110.db2.gz RQZQTVFJDIPXMT-JTQLQIEISA-N 0 0 231.292 2.411 20 5 BEBDRN CCCn1cc(Nc2cccnc2[N+](=O)[O-])cn1 ZINC000742419754 585126225 /nfs/dbraw/zinc/12/62/25/585126225.db2.gz NUNUACZDJNTZLA-UHFFFAOYSA-N 0 0 247.258 2.340 20 5 BEBDRN O=C(Cc1ccccc1[N+](=O)[O-])OCCC1CC1 ZINC000744287698 585147261 /nfs/dbraw/zinc/14/72/61/585147261.db2.gz VTQPZRWXGXAKJL-UHFFFAOYSA-N 0 0 249.266 2.481 20 5 BEBDRN CC(C)C(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746903764 585173237 /nfs/dbraw/zinc/17/32/37/585173237.db2.gz NOQSDJPXFLRJGY-UHFFFAOYSA-N 0 0 241.218 2.433 20 5 BEBDRN O=C(OCc1cccc([N+](=O)[O-])c1)c1cc[nH]c1 ZINC000750494671 585216079 /nfs/dbraw/zinc/21/60/79/585216079.db2.gz DQDRVVFXTBEAHU-UHFFFAOYSA-N 0 0 246.222 2.280 20 5 BEBDRN CS/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000751558073 585232482 /nfs/dbraw/zinc/23/24/82/585232482.db2.gz LIWCQKRNJLJYAW-AATRIKPKSA-N 0 0 238.268 2.410 20 5 BEBDRN CS/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000751894640 585238513 /nfs/dbraw/zinc/23/85/13/585238513.db2.gz UPUCPAZFMGTEDC-SREVYHEPSA-N 0 0 238.268 2.410 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC(C(C)C)C2)n1 ZINC000753822669 585270223 /nfs/dbraw/zinc/27/02/23/585270223.db2.gz YCDPEWTVVJHYBT-UHFFFAOYSA-N 0 0 235.287 2.390 20 5 BEBDRN CCOCOc1cccc(C)c1[N+](=O)[O-] ZINC000758409819 585355834 /nfs/dbraw/zinc/35/58/34/585355834.db2.gz DSHHJXDNFYJTIV-UHFFFAOYSA-N 0 0 211.217 2.276 20 5 BEBDRN CCC(=O)Oc1c(C)cccc1[N+](=O)[O-] ZINC000760019309 585384499 /nfs/dbraw/zinc/38/44/99/585384499.db2.gz RWPHAYHIWPVWGV-UHFFFAOYSA-N 0 0 209.201 2.219 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H]2C[C@@H]21 ZINC000761094201 585408492 /nfs/dbraw/zinc/40/84/92/585408492.db2.gz NHWPAUWEMZSHTF-PELKAZGASA-N 0 0 236.246 2.328 20 5 BEBDRN CCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000761985277 585423637 /nfs/dbraw/zinc/42/36/37/585423637.db2.gz ISRZKEVUSZVMLN-QMMMGPOBSA-N 0 0 238.243 2.335 20 5 BEBDRN CCCCCC[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000762424815 585432065 /nfs/dbraw/zinc/43/20/65/585432065.db2.gz MGVACYKBQXHNSR-NSHDSACASA-N 0 0 241.291 2.123 20 5 BEBDRN C[C@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000763273905 585445730 /nfs/dbraw/zinc/44/57/30/585445730.db2.gz AHHGAYKKFWDOSQ-VIFPVBQESA-N 0 0 249.266 2.479 20 5 BEBDRN CCOCOc1c(F)cccc1[N+](=O)[O-] ZINC000766392894 585501645 /nfs/dbraw/zinc/50/16/45/585501645.db2.gz ODQYBMCXMLGEBQ-UHFFFAOYSA-N 0 0 215.180 2.107 20 5 BEBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1=CCC1 ZINC000770525930 585575474 /nfs/dbraw/zinc/57/54/74/585575474.db2.gz WCGCQGXMCOEAFS-UHFFFAOYSA-N 0 0 236.202 2.393 20 5 BEBDRN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H]2C)c1 ZINC000771138588 585591344 /nfs/dbraw/zinc/59/13/44/585591344.db2.gz XUENXOMOQPRZRV-SSDOTTSWSA-N 0 0 240.234 2.341 20 5 BEBDRN O=C(Cc1cccc([N+](=O)[O-])c1)O[C@@H]1C=CCC1 ZINC000777353580 585710600 /nfs/dbraw/zinc/71/06/00/585710600.db2.gz QIVBOIWLVSLSDP-GFCCVEGCSA-N 0 0 247.250 2.399 20 5 BEBDRN O=C(O[C@H]1C=CCC1)c1ccccc1[N+](=O)[O-] ZINC000780552400 585780652 /nfs/dbraw/zinc/78/06/52/585780652.db2.gz VXRWLAGNFCJYGD-VIFPVBQESA-N 0 0 233.223 2.470 20 5 BEBDRN CCON(C)c1ccc([N+](=O)[O-])cc1F ZINC000780659725 585782745 /nfs/dbraw/zinc/78/27/45/585782745.db2.gz AQKUMPKMLUHGII-UHFFFAOYSA-N 0 0 214.196 2.122 20 5 BEBDRN CC(C)C(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000782008284 585806531 /nfs/dbraw/zinc/80/65/31/585806531.db2.gz OBESXQWAVKATJK-UHFFFAOYSA-N 0 0 241.218 2.433 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCOCC3(CC3)C2)cc1 ZINC000782386500 585816690 /nfs/dbraw/zinc/81/66/90/585816690.db2.gz MDHCUWNLTFJFSI-UHFFFAOYSA-N 0 0 248.282 2.212 20 5 BEBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OC1CC1 ZINC000783198917 585830290 /nfs/dbraw/zinc/83/02/90/585830290.db2.gz RFLQVWMMWBADSK-FPYGCLRLSA-N 0 0 233.223 2.314 20 5 BEBDRN Nc1ccc(NCc2ccoc2)c([N+](=O)[O-])c1 ZINC000786789530 585897398 /nfs/dbraw/zinc/89/73/98/585897398.db2.gz FWUGGAWZYVYJIO-UHFFFAOYSA-N 0 0 233.227 2.382 20 5 BEBDRN CN(CC[N+](=O)[O-])Cc1c(F)cccc1Cl ZINC000787684449 585914052 /nfs/dbraw/zinc/91/40/52/585914052.db2.gz ARIKWKCBJIINHH-UHFFFAOYSA-N 0 0 246.669 2.188 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2cccnc2F)cn1 ZINC000795230035 586072840 /nfs/dbraw/zinc/07/28/40/586072840.db2.gz OZRWDFBAHVGDBL-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN CCC(=O)OCc1cc([N+](=O)[O-])ccc1OC ZINC000798121308 586137455 /nfs/dbraw/zinc/13/74/55/586137455.db2.gz AUOOULSHGRCUQY-UHFFFAOYSA-N 0 0 239.227 2.057 20 5 BEBDRN Cc1cc(CNc2cc(N)ccc2[N+](=O)[O-])no1 ZINC000800847632 586234759 /nfs/dbraw/zinc/23/47/59/586234759.db2.gz KWWGSQMMOHNVFO-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN Nc1ccc(NCCc2ccco2)c([N+](=O)[O-])c1 ZINC000804326732 586391646 /nfs/dbraw/zinc/39/16/46/586391646.db2.gz DZQIFQDYIDOIRF-UHFFFAOYSA-N 0 0 247.254 2.425 20 5 BEBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC1CC1 ZINC000804340961 586392421 /nfs/dbraw/zinc/39/24/21/586392421.db2.gz RAZYIFKMBMCTOM-UHFFFAOYSA-N 0 0 237.215 2.325 20 5 BEBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1NCC(F)F ZINC000804526370 586398382 /nfs/dbraw/zinc/39/83/82/586398382.db2.gz MMAWAEGEIIQJDD-UHFFFAOYSA-N 0 0 247.157 2.180 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CC2)nc1NC1CC1 ZINC000811703417 586565938 /nfs/dbraw/zinc/56/59/38/586565938.db2.gz QHYSWTIPHCOIPY-UHFFFAOYSA-N 0 0 234.259 2.138 20 5 BEBDRN CCCCc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812813612 586587201 /nfs/dbraw/zinc/58/72/01/586587201.db2.gz NTBRSKVEHKAPNO-UHFFFAOYSA-N 0 0 241.291 2.400 20 5 BEBDRN C[C@H](COC(=O)C1CCCCCC1)[N+](=O)[O-] ZINC000813103077 586591958 /nfs/dbraw/zinc/59/19/58/586591958.db2.gz MYKSMTGMMBTFPM-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN C[C@@H](COC(=O)/C=C\C1CCCCC1)[N+](=O)[O-] ZINC000813107909 586592851 /nfs/dbraw/zinc/59/28/51/586592851.db2.gz YVBFYXMJMHSOCH-DMEOUFDRSA-N 0 0 241.287 2.331 20 5 BEBDRN C[C@H](COC(=O)C1C[C@H](C)C[C@@H](C)C1)[N+](=O)[O-] ZINC000813106297 586592962 /nfs/dbraw/zinc/59/29/62/586592962.db2.gz ADCUAJOKDHPFGJ-OPRDCNLKSA-N 0 0 243.303 2.267 20 5 BEBDRN CCCC(CCC)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813109244 586593164 /nfs/dbraw/zinc/59/31/64/586593164.db2.gz HFXBGIIJTCGJEF-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@H](COC(=O)[C@@H](C)c1cccs1)[N+](=O)[O-] ZINC000813109814 586593376 /nfs/dbraw/zinc/59/33/76/586593376.db2.gz PLYMDYBNUJELLK-SFYZADRCSA-N 0 0 243.284 2.060 20 5 BEBDRN Cc1cc(C)cc(C(=O)OC[C@@H](C)[N+](=O)[O-])c1 ZINC000813112186 586593556 /nfs/dbraw/zinc/59/35/56/586593556.db2.gz NKHBMUATHPTTKR-SNVBAGLBSA-N 0 0 237.255 2.125 20 5 BEBDRN CC(C(=O)OC[C@H](C)[N+](=O)[O-])=C1CCCC1 ZINC000813111592 586593787 /nfs/dbraw/zinc/59/37/87/586593787.db2.gz VJXKHZYEMUAFBQ-QMMMGPOBSA-N 0 0 227.260 2.085 20 5 BEBDRN CCC(C)(CC)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813114714 586594064 /nfs/dbraw/zinc/59/40/64/586594064.db2.gz GEOOHUMZXWAXQW-MRVPVSSYSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@@H](COC(=O)C[C@@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000813115210 586594316 /nfs/dbraw/zinc/59/43/16/586594316.db2.gz MVYVNMRIJHDVDP-VWYCJHECSA-N 0 0 243.303 2.411 20 5 BEBDRN CCCCSCCC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814037942 586611733 /nfs/dbraw/zinc/61/17/33/586611733.db2.gz JLOFOJXYVXYGTL-VIFPVBQESA-N 0 0 249.332 2.118 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CC1CCCCC1 ZINC000814037542 586612288 /nfs/dbraw/zinc/61/22/88/586612288.db2.gz BRDVDCPGEUHESX-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1csc(Cl)c1 ZINC000814039401 586612333 /nfs/dbraw/zinc/61/23/33/586612333.db2.gz OXDXKNFCZKBEFM-YFKPBYRVSA-N 0 0 249.675 2.224 20 5 BEBDRN Cc1oc(C)c(C(=O)O[C@H](C)C[N+](=O)[O-])c1C ZINC000814039273 586612340 /nfs/dbraw/zinc/61/23/40/586612340.db2.gz ZAVNFVLAQKISMU-ZCFIWIBFSA-N 0 0 241.243 2.027 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)/C=C\C1CCCCC1 ZINC000814044967 586612774 /nfs/dbraw/zinc/61/27/74/586612774.db2.gz WMJWCIUBVIMMPO-GQYWMQPJSA-N 0 0 241.287 2.331 20 5 BEBDRN CC[C@@H](C)CCC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814045451 586612857 /nfs/dbraw/zinc/61/28/57/586612857.db2.gz SOKAMYCFXSEKRX-BDAKNGLRSA-N 0 0 217.265 2.021 20 5 BEBDRN CCCC[C@@H](CC)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814046755 586612889 /nfs/dbraw/zinc/61/28/89/586612889.db2.gz JAVCBJUUMNXUBY-VHSXEESVSA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1sccc1Cl ZINC000814045993 586613036 /nfs/dbraw/zinc/61/30/36/586613036.db2.gz FLHDDTHCKONPOQ-RXMQYKEDSA-N 0 0 249.675 2.224 20 5 BEBDRN CCSCOc1ccc([N+](=O)[O-])cc1C=O ZINC000814726813 586630809 /nfs/dbraw/zinc/63/08/09/586630809.db2.gz CVMHUXRUFATELN-UHFFFAOYSA-N 0 0 241.268 2.497 20 5 BEBDRN C=C=CCNc1ccc([N+](=O)[O-])cc1F ZINC000820585714 587056560 /nfs/dbraw/zinc/05/65/60/587056560.db2.gz AQMZLXYQTDEWKQ-UHFFFAOYSA-N 0 0 208.192 2.487 20 5 BEBDRN C=C=CCNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000820586772 587056645 /nfs/dbraw/zinc/05/66/45/587056645.db2.gz PMWKLIYATHPMOQ-UHFFFAOYSA-N 0 0 238.218 2.496 20 5 BEBDRN CCCN(CC)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822433027 587167258 /nfs/dbraw/zinc/16/72/58/587167258.db2.gz RFXGDHNJJGHABK-UHFFFAOYSA-N 0 0 230.308 2.080 20 5 BEBDRN CC[C@H](C)[C@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822752568 587183975 /nfs/dbraw/zinc/18/39/75/587183975.db2.gz LXNZJZNNGSRSLL-UWVGGRQHSA-N 0 0 244.335 2.373 20 5 BEBDRN CC[C@H](C)[C@@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822752569 587184156 /nfs/dbraw/zinc/18/41/56/587184156.db2.gz LXNZJZNNGSRSLL-VHSXEESVSA-N 0 0 244.335 2.373 20 5 BEBDRN CCCONC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000828222014 587425329 /nfs/dbraw/zinc/42/53/29/587425329.db2.gz IJAPWPCUUUKXGM-UHFFFAOYSA-N 0 0 239.231 2.058 20 5 BEBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC2(CC2)C1 ZINC000828364513 587438335 /nfs/dbraw/zinc/43/83/35/587438335.db2.gz DSLYMYWJUBDHOV-UHFFFAOYSA-N 0 0 249.226 2.103 20 5 BEBDRN CC(=O)c1ccc(N2CC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000828364642 587438589 /nfs/dbraw/zinc/43/85/89/587438589.db2.gz HXBAVNHHTXLFMV-UHFFFAOYSA-N 0 0 246.266 2.398 20 5 BEBDRN CCc1nc(CNc2ncccc2[N+](=O)[O-])co1 ZINC000829177614 587486828 /nfs/dbraw/zinc/48/68/28/587486828.db2.gz CMGACGBTMCVGFH-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN C[C@@H]1CC[C@H](n2nc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829833954 587521354 /nfs/dbraw/zinc/52/13/54/587521354.db2.gz OBYROPHOANPEDF-RQJHMYQMSA-N 0 0 240.219 2.061 20 5 BEBDRN C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000833030200 587697403 /nfs/dbraw/zinc/69/74/03/587697403.db2.gz VKXKHOIQBUKWEW-AUTRQRHGSA-N 0 0 248.282 2.428 20 5 BEBDRN CC(C)Cc1noc(CCC(C)(C)[N+](=O)[O-])n1 ZINC000834421654 587754933 /nfs/dbraw/zinc/75/49/33/587754933.db2.gz SVZRZXUTWYICCY-UHFFFAOYSA-N 0 0 241.291 2.256 20 5 BEBDRN CC(C)COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835078765 587780600 /nfs/dbraw/zinc/78/06/00/587780600.db2.gz BSZJUMIVPODREH-UHFFFAOYSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000835373710 587798903 /nfs/dbraw/zinc/79/89/03/587798903.db2.gz RQXILFCFUDBOLF-VIFPVBQESA-N 0 0 243.303 2.411 20 5 BEBDRN C=Cc1ccc(C(=O)OC[C@@H](C)[N+](=O)[O-])cc1 ZINC000835453571 587802869 /nfs/dbraw/zinc/80/28/69/587802869.db2.gz CZCKPXZZYNVSNG-SECBINFHSA-N 0 0 235.239 2.152 20 5 BEBDRN C[C@@H](COC(=O)[C@H]1CC[C@@H](C)[C@H](C)C1)[N+](=O)[O-] ZINC000835457093 587803222 /nfs/dbraw/zinc/80/32/22/587803222.db2.gz WTDCAOLBEQFAQO-ZNSHCXBVSA-N 0 0 243.303 2.267 20 5 BEBDRN CC[C@@H]1CCC[C@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000835465643 587803641 /nfs/dbraw/zinc/80/36/41/587803641.db2.gz FAYZBLFGTSNIDZ-IVZWLZJFSA-N 0 0 229.276 2.021 20 5 BEBDRN C=Cc1ccc(C(=O)O[C@@H](C)C[N+](=O)[O-])cc1 ZINC000835468169 587803906 /nfs/dbraw/zinc/80/39/06/587803906.db2.gz ZUENWGJSRUHSJX-VIFPVBQESA-N 0 0 235.239 2.152 20 5 BEBDRN CCC[C@@H]1CCC[C@@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000835468094 587803936 /nfs/dbraw/zinc/80/39/36/587803936.db2.gz YIFBWODQIHJLDO-MXWKQRLJSA-N 0 0 243.303 2.411 20 5 BEBDRN CS[C@H](C)COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835692295 587813285 /nfs/dbraw/zinc/81/32/85/587813285.db2.gz RLFNQDJKPWBOAV-MRVPVSSYSA-N 0 0 249.332 2.117 20 5 BEBDRN CC1(C)CCC(OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000842338697 588019161 /nfs/dbraw/zinc/01/91/61/588019161.db2.gz SUHKLVLTSHEXQE-NXEZZACHSA-N 0 0 241.287 2.164 20 5 BEBDRN C[C@H](CC(C)(C)C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842370397 588022100 /nfs/dbraw/zinc/02/21/00/588022100.db2.gz SZAOKFOOJDFQFK-IWSPIJDZSA-N 0 0 229.276 2.020 20 5 BEBDRN C[C@@H](CC(C)(C)C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842370396 588022243 /nfs/dbraw/zinc/02/22/43/588022243.db2.gz SZAOKFOOJDFQFK-DJLDLDEBSA-N 0 0 229.276 2.020 20 5 BEBDRN C[C@@H]1CC[C@@H](C)[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842373869 588022407 /nfs/dbraw/zinc/02/24/07/588022407.db2.gz HCBZRDKMZUJXCS-ISUQUUIWSA-N 0 0 241.287 2.020 20 5 BEBDRN CC[C@@H](C)[C@H](CC)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842374921 588022540 /nfs/dbraw/zinc/02/25/40/588022540.db2.gz ZNXMYBKDRRQFIR-KYXWUPHJSA-N 0 0 229.276 2.020 20 5 BEBDRN CC(C)(C)CCc1noc([C@@H]2CC2[N+](=O)[O-])n1 ZINC000842503892 588031479 /nfs/dbraw/zinc/03/14/79/588031479.db2.gz OHACRSCJARUDCJ-HTQZYQBOSA-N 0 0 239.275 2.181 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)C1(F)CC1 ZINC000843536889 588120926 /nfs/dbraw/zinc/12/09/26/588120926.db2.gz GGMINOWBIFPAHA-UHFFFAOYSA-N 0 0 242.181 2.175 20 5 BEBDRN CCCC(C)(C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000845576558 588233815 /nfs/dbraw/zinc/23/38/15/588233815.db2.gz MYDUILRBMBARBC-MRVPVSSYSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@H](COC(=O)[C@@H]1C[C@@H]1C1CCCC1)[N+](=O)[O-] ZINC000845577041 588233944 /nfs/dbraw/zinc/23/39/44/588233944.db2.gz QZEHHZNCJXAMLY-FBIMIBRVSA-N 0 0 241.287 2.021 20 5 BEBDRN CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C(C)C ZINC000847173112 588308603 /nfs/dbraw/zinc/30/86/03/588308603.db2.gz QZVWKSFEZUMXAR-UHFFFAOYSA-N 0 0 244.335 2.469 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC3(CC3(F)F)C2)cc1 ZINC000848742286 588409999 /nfs/dbraw/zinc/40/99/99/588409999.db2.gz HSNFXTQQTBOCNH-UHFFFAOYSA-N 0 0 240.209 2.440 20 5 BEBDRN CCC(=O)OCc1ccc(F)cc1[N+](=O)[O-] ZINC000849632179 588482393 /nfs/dbraw/zinc/48/23/93/588482393.db2.gz HFPZQVJWQIFFJU-UHFFFAOYSA-N 0 0 227.191 2.187 20 5 BEBDRN O=C(CCCF)OCc1cccc([N+](=O)[O-])c1 ZINC000850190562 588525219 /nfs/dbraw/zinc/52/52/19/588525219.db2.gz KFKPATOHVMJEJC-UHFFFAOYSA-N 0 0 241.218 2.388 20 5 BEBDRN CCCC[C@](C)(F)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000851044239 588586669 /nfs/dbraw/zinc/58/66/69/588586669.db2.gz CEUGOEWYGVYKPJ-WPRPVWTQSA-N 0 0 235.255 2.113 20 5 BEBDRN C[C@@H](CC(=O)OCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000851125186 588592485 /nfs/dbraw/zinc/59/24/85/588592485.db2.gz AFVBTLXGFBXTRO-QMMMGPOBSA-N 0 0 229.276 2.021 20 5 BEBDRN CC(C(=O)OCC(C)(C)[N+](=O)[O-])=C1CCCC1 ZINC000851127872 588592537 /nfs/dbraw/zinc/59/25/37/588592537.db2.gz ZMADBCUZLFPWOE-UHFFFAOYSA-N 0 0 241.287 2.475 20 5 BEBDRN CC[C@H](C)[C@H](C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127718 588592543 /nfs/dbraw/zinc/59/25/43/588592543.db2.gz UALQBASSDJCOOW-IUCAKERBSA-N 0 0 231.292 2.267 20 5 BEBDRN CCC/C(C)=C\C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127249 588592612 /nfs/dbraw/zinc/59/26/12/588592612.db2.gz ZYEOQCBIHQDIQK-CLFYSBASSA-N 0 0 229.276 2.331 20 5 BEBDRN CC(C)(COC(=O)[C@H]1CC12CCCC2)[N+](=O)[O-] ZINC000851127365 588592823 /nfs/dbraw/zinc/59/28/23/588592823.db2.gz WBDQAKGHFGMVCH-SECBINFHSA-N 0 0 241.287 2.165 20 5 BEBDRN C[C@@H]1CC[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851127781 588592834 /nfs/dbraw/zinc/59/28/34/588592834.db2.gz VWNFXFPBDQZPNY-RKDXNWHRSA-N 0 0 229.276 2.021 20 5 BEBDRN CC(C)CCCC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128905 588593092 /nfs/dbraw/zinc/59/30/92/588593092.db2.gz HTYDIMPEWNKDMP-UHFFFAOYSA-N 0 0 231.292 2.411 20 5 BEBDRN CC(C)(COC(=O)C(F)=C1CCCC1)[N+](=O)[O-] ZINC000851129164 588593102 /nfs/dbraw/zinc/59/31/02/588593102.db2.gz JSNDQDCBMLIYIQ-UHFFFAOYSA-N 0 0 245.250 2.383 20 5 BEBDRN CC(C)(COC(=O)[C@]1(C)CC=CCC1)[N+](=O)[O-] ZINC000851128855 588593133 /nfs/dbraw/zinc/59/31/33/588593133.db2.gz GQQWOJBJKPZSFE-GFCCVEGCSA-N 0 0 241.287 2.331 20 5 BEBDRN C[C@H]1CC=C(C(=O)OCC(C)(C)[N+](=O)[O-])CC1 ZINC000851129835 588593164 /nfs/dbraw/zinc/59/31/64/588593164.db2.gz SVHCIQMVCNDOFQ-VIFPVBQESA-N 0 0 241.287 2.331 20 5 BEBDRN CCc1occc1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851130425 588593303 /nfs/dbraw/zinc/59/33/03/588593303.db2.gz WEFQCDQKMBJNHF-UHFFFAOYSA-N 0 0 241.243 2.054 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1coc(C(F)F)c1 ZINC000860788977 589120694 /nfs/dbraw/zinc/12/06/94/589120694.db2.gz XNASMEBFPVFLEG-YFKPBYRVSA-N 0 0 249.169 2.039 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])c1cccc(Cl)c1 ZINC000860911038 589131118 /nfs/dbraw/zinc/13/11/18/589131118.db2.gz FVRWKMGQRVDSCC-UHFFFAOYSA-N 0 0 243.646 2.164 20 5 BEBDRN C[C@H](C(=O)OCCC[N+](=O)[O-])c1ccsc1 ZINC000860914755 589131279 /nfs/dbraw/zinc/13/12/79/589131279.db2.gz FUFPVIZXDHVZRI-QMMMGPOBSA-N 0 0 243.284 2.062 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])C1CCCCCC1 ZINC000860915830 589131522 /nfs/dbraw/zinc/13/15/22/589131522.db2.gz JOXZPPWCOQEQEQ-UHFFFAOYSA-N 0 0 229.276 2.167 20 5 BEBDRN CCCC(CCC)C(=O)OCCC[N+](=O)[O-] ZINC000860916972 589131547 /nfs/dbraw/zinc/13/15/47/589131547.db2.gz CSNYTSWCVFTBEB-UHFFFAOYSA-N 0 0 231.292 2.413 20 5 BEBDRN CCCCS[C@@H](C)C(=O)OCCC[N+](=O)[O-] ZINC000860915831 589131611 /nfs/dbraw/zinc/13/16/11/589131611.db2.gz KAFGETJHQXKIAK-VIFPVBQESA-N 0 0 249.332 2.118 20 5 BEBDRN C[C@@H]1CCCC[C@H]1CC(=O)OCCC[N+](=O)[O-] ZINC000860916040 589131661 /nfs/dbraw/zinc/13/16/61/589131661.db2.gz MDOBFGGHIDACOR-MNOVXSKESA-N 0 0 243.303 2.413 20 5 BEBDRN C[C@@H](C(=O)OCCC[N+](=O)[O-])C1CCCC1 ZINC000860917320 589131796 /nfs/dbraw/zinc/13/17/96/589131796.db2.gz JRWHDTCPNXSBAO-SECBINFHSA-N 0 0 229.276 2.023 20 5 BEBDRN C[C@@H]1CC[C@@H](C(=O)OCCC[N+](=O)[O-])C[C@H]1C ZINC000860918258 589131993 /nfs/dbraw/zinc/13/19/93/589131993.db2.gz DNZLIWBLFPHYGL-GMTAPVOTSA-N 0 0 243.303 2.269 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])[C@@H]1C[C@H]1c1ccccc1 ZINC000860919344 589132074 /nfs/dbraw/zinc/13/20/74/589132074.db2.gz XEERSQBCYSGIDY-NWDGAFQWSA-N 0 0 249.266 2.000 20 5 BEBDRN CCC[C@H]1CCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860919451 589132133 /nfs/dbraw/zinc/13/21/33/589132133.db2.gz YTGGYQXLXUICFT-WDEREUQCSA-N 0 0 243.303 2.413 20 5 BEBDRN O=[N+]([O-])c1cn(CCC(F)=C(F)F)cn1 ZINC000863280565 589275862 /nfs/dbraw/zinc/27/58/62/589275862.db2.gz YLNWWRVSDVZINW-UHFFFAOYSA-N 0 0 221.138 2.259 20 5 BEBDRN CCCOCOc1ncc(C)cc1[N+](=O)[O-] ZINC000863308380 589277986 /nfs/dbraw/zinc/27/79/86/589277986.db2.gz HMLCXYDJNXWQBM-UHFFFAOYSA-N 0 0 226.232 2.061 20 5 BEBDRN C[C@@H]1CCCC[C@H]1Cn1ncc([N+](=O)[O-])n1 ZINC000863371222 589284331 /nfs/dbraw/zinc/28/43/31/589284331.db2.gz KSQSKJLLKFUZPL-BDAKNGLRSA-N 0 0 224.264 2.013 20 5 BEBDRN O=[N+]([O-])c1cnn(CC2CCC(F)(F)CC2)n1 ZINC000863371195 589284369 /nfs/dbraw/zinc/28/43/69/589284369.db2.gz KBHDMVJUPKYYKQ-UHFFFAOYSA-N 0 0 246.217 2.012 20 5 BEBDRN CC(C)(CCn1ncc([N+](=O)[O-])n1)C1CC1 ZINC000863371606 589284616 /nfs/dbraw/zinc/28/46/16/589284616.db2.gz PWUORVFQRLAPQN-UHFFFAOYSA-N 0 0 224.264 2.013 20 5 BEBDRN Cc1nn(COCC(C)C)c(C)c1[N+](=O)[O-] ZINC000865333125 589421704 /nfs/dbraw/zinc/42/17/04/589421704.db2.gz RNVQDKNBMYVIHI-UHFFFAOYSA-N 0 0 227.264 2.038 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1Cc1coc(C2CC2)n1 ZINC000865352290 589424132 /nfs/dbraw/zinc/42/41/32/589424132.db2.gz FXXSLKXEQSIAKU-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN Cc1ccc(COCc2ncc[nH]2)cc1[N+](=O)[O-] ZINC000865362383 589426095 /nfs/dbraw/zinc/42/60/95/589426095.db2.gz SXVKNPPOILUBEU-UHFFFAOYSA-N 0 0 247.254 2.343 20 5 BEBDRN Cc1nn([C@@H](C)C(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000865367881 589427137 /nfs/dbraw/zinc/42/71/37/589427137.db2.gz JCNGBYYDJZYAIZ-QMMMGPOBSA-N 0 0 239.275 2.276 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CCCC1CC1 ZINC000865368215 589427139 /nfs/dbraw/zinc/42/71/39/589427139.db2.gz NITNJEBHFXLJLY-UHFFFAOYSA-N 0 0 236.271 2.255 20 5 BEBDRN C/C=C/CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865972291 589470935 /nfs/dbraw/zinc/47/09/35/589470935.db2.gz VJDBCDBVOBCEQE-NSCUHMNNSA-N 0 0 240.234 2.214 20 5 BEBDRN CC(C)(C)SCn1cc([N+](=O)[O-])ccc1=O ZINC000871630992 589779029 /nfs/dbraw/zinc/77/90/29/589779029.db2.gz BNWUMEYEYZQCHV-UHFFFAOYSA-N 0 0 242.300 2.246 20 5 BEBDRN Cc1cc(NC[C@H]2C[C@H](O)C2)c([N+](=O)[O-])s1 ZINC000872719860 589965097 /nfs/dbraw/zinc/96/50/97/589965097.db2.gz IDIJPOMWQKSOKN-ZKCHVHJHSA-N 0 0 242.300 2.148 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CC23CCC3)c(F)c1 ZINC000872775131 589968503 /nfs/dbraw/zinc/96/85/03/589968503.db2.gz QUFBFFSPUAJGBK-VIFPVBQESA-N 0 0 237.234 2.483 20 5 BEBDRN CCC[C@H](CC)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000873543234 590055626 /nfs/dbraw/zinc/05/56/26/590055626.db2.gz NNIZZOHGIKFLCI-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN Cc1nn(CC2CC(C)C2)c(C)c1[N+](=O)[O-] ZINC000877872478 590433080 /nfs/dbraw/zinc/43/30/80/590433080.db2.gz GCSVOPWZEYPOIW-UHFFFAOYSA-N 0 0 223.276 2.454 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CC1CC(C)C1 ZINC000877881023 590437583 /nfs/dbraw/zinc/43/75/83/590437583.db2.gz CHIZCIIGWRKIKM-UHFFFAOYSA-N 0 0 236.271 2.111 20 5 BEBDRN C=C/C=C\CCn1c(C)ncc1[N+](=O)[O-] ZINC000877887703 590439583 /nfs/dbraw/zinc/43/95/83/590439583.db2.gz RGCFRYYOVUYSDR-PLNGDYQASA-N 0 0 207.233 2.232 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CC1CC(C)C1 ZINC000877887430 590439815 /nfs/dbraw/zinc/43/98/15/590439815.db2.gz MERPLBWMKQWGQQ-UHFFFAOYSA-N 0 0 209.249 2.146 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1N[C@H]1CCSC1 ZINC000882030560 591288208 /nfs/dbraw/zinc/28/82/08/591288208.db2.gz OLTJCJXWDVQFBT-LURJTMIESA-N 0 0 243.263 2.046 20 5 BEBDRN CC1(C)CCC[C@H](Cn2cc([N+](=O)[O-])cn2)O1 ZINC000882093632 591296599 /nfs/dbraw/zinc/29/65/99/591296599.db2.gz AXNXRDATNPBOLK-SNVBAGLBSA-N 0 0 239.275 2.139 20 5 BEBDRN O=[N+]([O-])c1ncn(CC[C@H]2CCCC2(F)F)n1 ZINC000882107827 591299395 /nfs/dbraw/zinc/29/93/95/591299395.db2.gz QBZGJVCWIHRCRB-SSDOTTSWSA-N 0 0 246.217 2.012 20 5 BEBDRN C[C@H]1CC[C@H]1Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882361228 591337903 /nfs/dbraw/zinc/33/79/03/591337903.db2.gz YHACAMBWFHSTEV-NKWVEPMBSA-N 0 0 225.223 2.339 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CCC[C@@H](CF)C1 ZINC000882800593 591442990 /nfs/dbraw/zinc/44/29/90/591442990.db2.gz FVSOZKCZSJWTJJ-VIFPVBQESA-N 0 0 239.250 2.176 20 5 BEBDRN Cc1ccnc(N2CC[C@@H](CF)C2)c1[N+](=O)[O-] ZINC000882840853 591451309 /nfs/dbraw/zinc/45/13/09/591451309.db2.gz GPYNLYDTMDUFRE-VIFPVBQESA-N 0 0 239.250 2.094 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@H](CF)C1 ZINC000882842244 591452003 /nfs/dbraw/zinc/45/20/03/591452003.db2.gz QLYKTEVYBPVOBG-SECBINFHSA-N 0 0 224.235 2.391 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](CF)C1 ZINC000882842081 591452303 /nfs/dbraw/zinc/45/23/03/591452303.db2.gz MIDMKMKWCIEDMT-VIFPVBQESA-N 0 0 239.250 2.094 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000132560920 591720119 /nfs/dbraw/zinc/72/01/19/591720119.db2.gz HPHAQCGIFYQWJF-WKEGUHRASA-N 0 0 239.202 2.295 20 5 BEBDRN C[C@H](O)CCOc1cc([N+](=O)[O-])ccc1Cl ZINC000134058770 591879463 /nfs/dbraw/zinc/87/94/63/591879463.db2.gz ZPLMYWMGFIHOLA-ZETCQYMHSA-N 0 0 245.662 2.398 20 5 BEBDRN COc1cc(N2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])cc1C ZINC000884590789 591990007 /nfs/dbraw/zinc/99/00/07/591990007.db2.gz FFAMVKJDFMGFLC-AOOOYVTPSA-N 0 0 248.282 2.368 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)CCCF)n1 ZINC000884856889 592024960 /nfs/dbraw/zinc/02/49/60/592024960.db2.gz MPIBREXELHBADK-UHFFFAOYSA-N 0 0 227.239 2.094 20 5 BEBDRN CN(CCCF)c1sccc1[N+](=O)[O-] ZINC000884857192 592025132 /nfs/dbraw/zinc/02/51/32/592025132.db2.gz REYXZFNGAOFGLL-UHFFFAOYSA-N 0 0 218.253 2.452 20 5 BEBDRN CN(CCCF)Cc1csc([N+](=O)[O-])c1 ZINC000887137450 592451646 /nfs/dbraw/zinc/45/16/46/592451646.db2.gz ILZZGTPNPHEYJQ-UHFFFAOYSA-N 0 0 232.280 2.448 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H]1C ZINC000335807840 631298899 /nfs/dbraw/zinc/29/88/99/631298899.db2.gz LZERZMBNMQXJHP-BXKDBHETSA-N 0 0 248.282 2.432 20 5 BEBDRN CCCOC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000310089294 631461613 /nfs/dbraw/zinc/46/16/13/631461613.db2.gz CXSCIAUYYUKVDO-UHFFFAOYSA-N 0 0 238.243 2.231 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCCOC(C)(C)C ZINC000610684194 631536161 /nfs/dbraw/zinc/53/61/61/631536161.db2.gz DKMSWGVPRUJQQD-UHFFFAOYSA-N 0 0 241.291 2.305 20 5 BEBDRN CCCN(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000892121655 631736077 /nfs/dbraw/zinc/73/60/77/631736077.db2.gz VCHKAHGNUYJJFU-UHFFFAOYSA-N 0 0 239.231 2.349 20 5 BEBDRN C[C@H](O)CCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000310423757 632737839 /nfs/dbraw/zinc/73/78/39/632737839.db2.gz OQEDJVNCNGGGIU-QMMMGPOBSA-N 0 0 243.234 2.274 20 5 BEBDRN CC(C)C[C@H](O)CNc1ccc([N+](=O)[O-])s1 ZINC000309316438 632928407 /nfs/dbraw/zinc/92/84/07/632928407.db2.gz DDDWWKNNSJFNLH-QMMMGPOBSA-N 0 0 244.316 2.475 20 5 BEBDRN Cc1cc(C(=O)OCC(F)F)ccc1[N+](=O)[O-] ZINC000126757550 636021303 /nfs/dbraw/zinc/02/13/03/636021303.db2.gz XWMGSEOQMYJIED-UHFFFAOYSA-N 0 0 245.181 2.325 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000814044092 635748708 /nfs/dbraw/zinc/74/87/08/635748708.db2.gz OAIZSGGHSSESAP-OPRDCNLKSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H]1C[C@H]1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000729088397 636601327 /nfs/dbraw/zinc/60/13/27/636601327.db2.gz RIGMRAGOLBVAPH-RQJHMYQMSA-N 0 0 225.200 2.001 20 5 BEBDRN Cc1cn(C)nc1COc1ccc([N+](=O)[O-])cc1 ZINC000901373270 637246378 /nfs/dbraw/zinc/24/63/78/637246378.db2.gz JTGRCLOTPYCVNW-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1noc(Cc2ccc(F)cc2[N+](=O)[O-])n1 ZINC000904579408 637437848 /nfs/dbraw/zinc/43/78/48/637437848.db2.gz NYRUPOXSOMWICB-UHFFFAOYSA-N 0 0 237.190 2.016 20 5 BEBDRN Cc1cc(NCC[N+](=O)[O-])ccc1OC(C)C ZINC000905325874 637757191 /nfs/dbraw/zinc/75/71/91/637757191.db2.gz SHECQIDAOLIXFK-UHFFFAOYSA-N 0 0 238.287 2.471 20 5 BEBDRN Cc1c(NCC[N+](=O)[O-])cccc1-c1ncco1 ZINC000905337360 637780544 /nfs/dbraw/zinc/78/05/44/637780544.db2.gz CRMJMHINMNYFDL-UHFFFAOYSA-N 0 0 247.254 2.339 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2cn3c(n2)CCCC3)cn1 ZINC000906170825 638085229 /nfs/dbraw/zinc/08/52/29/638085229.db2.gz KPLYWRGYCWZYTA-UHFFFAOYSA-N 0 0 244.254 2.190 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC=CC1 ZINC000910001352 639308857 /nfs/dbraw/zinc/30/88/57/639308857.db2.gz QJTQXXNWKXFOJD-UHFFFAOYSA-N 0 0 246.266 2.224 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000058099801 640675775 /nfs/dbraw/zinc/67/57/75/640675775.db2.gz YTYSYBWARIUJNH-POYBYMJQSA-N 0 0 238.218 2.328 20 5 BEBDRN C[C@@H](O)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228417516 640874248 /nfs/dbraw/zinc/87/42/48/640874248.db2.gz RSLGDXMSJHLDEI-SSDOTTSWSA-N 0 0 244.678 2.431 20 5 BEBDRN CCC(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000060821485 640891003 /nfs/dbraw/zinc/89/10/03/640891003.db2.gz FVZKWZVDWLIWCP-UHFFFAOYSA-N 0 0 223.228 2.091 20 5 BEBDRN CC(C)OC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000061389210 640958432 /nfs/dbraw/zinc/95/84/32/640958432.db2.gz IEOBQUWYHAPWGL-UHFFFAOYSA-N 0 0 227.191 2.299 20 5 BEBDRN Cc1c(CNCc2ccno2)cccc1[N+](=O)[O-] ZINC000231894419 641213528 /nfs/dbraw/zinc/21/35/28/641213528.db2.gz QDPHBTTWIWCDPB-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN C/C=C\C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000211367261 641478402 /nfs/dbraw/zinc/47/84/02/641478402.db2.gz ZBRIXXIXXRISPO-HYXAFXHYSA-N 0 0 220.228 2.418 20 5 BEBDRN CSCCOC(=O)c1csc([N+](=O)[O-])c1 ZINC000077257839 641840321 /nfs/dbraw/zinc/84/03/21/641840321.db2.gz NIXLYJBZISVNPV-UHFFFAOYSA-N 0 0 247.297 2.176 20 5 BEBDRN CC(F)(F)CCCn1cnc([N+](=O)[O-])c1 ZINC000916558682 641947326 /nfs/dbraw/zinc/94/73/26/641947326.db2.gz PUNZKRXICIBSDM-UHFFFAOYSA-N 0 0 219.191 2.227 20 5 BEBDRN O=[N+]([O-])c1ccnn1C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000916721644 641970599 /nfs/dbraw/zinc/97/05/99/641970599.db2.gz AUHDHMWODRFSLW-RNLVFQAGSA-N 0 0 243.213 2.083 20 5 BEBDRN CC(=O)[C@H](C)SCc1cccnc1[N+](=O)[O-] ZINC000917164229 642022778 /nfs/dbraw/zinc/02/27/78/642022778.db2.gz YTJHRQZASLWRSG-QMMMGPOBSA-N 0 0 240.284 2.201 20 5 BEBDRN CCOc1ccccc1Cn1ccnc1[N+](=O)[O-] ZINC000918342961 642189210 /nfs/dbraw/zinc/18/92/10/642189210.db2.gz HYFDHEXIHNZFQV-UHFFFAOYSA-N 0 0 247.254 2.238 20 5 BEBDRN O=[N+]([O-])c1nccn1Cc1ccc2c(c1)CCC2 ZINC000918369116 642189422 /nfs/dbraw/zinc/18/94/22/642189422.db2.gz PSRIJNRLODENDM-UHFFFAOYSA-N 0 0 243.266 2.328 20 5 BEBDRN O=[N+]([O-])c1nccn1CC12CCC(CC1)C2 ZINC000918377748 642191063 /nfs/dbraw/zinc/19/10/63/642191063.db2.gz JZZNGCBPYLNVMK-UHFFFAOYSA-N 0 0 221.260 2.372 20 5 BEBDRN C[C@@H](Cn1ccnc1[N+](=O)[O-])C(C)(C)C ZINC000918386081 642193560 /nfs/dbraw/zinc/19/35/60/642193560.db2.gz GCPFBQXSBCGGFZ-QMMMGPOBSA-N 0 0 211.265 2.474 20 5 BEBDRN O=[N+]([O-])c1nccn1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000918387524 642196325 /nfs/dbraw/zinc/19/63/25/642196325.db2.gz QDRYRNSHGINMCN-AEJSXWLSSA-N 0 0 219.244 2.004 20 5 BEBDRN CCCCCCNc1c([N+](=O)[O-])cnn1C ZINC000891414686 642493320 /nfs/dbraw/zinc/49/33/20/642493320.db2.gz BSJSABOUALPKBK-UHFFFAOYSA-N 0 0 226.280 2.321 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1N1CCc2ccccc21 ZINC000891415841 642495228 /nfs/dbraw/zinc/49/52/28/642495228.db2.gz SHFHBRASUXEXJU-UHFFFAOYSA-N 0 0 244.254 2.023 20 5 BEBDRN CC1(C)COC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000313114744 642503859 /nfs/dbraw/zinc/50/38/59/642503859.db2.gz HJUDOIKIHIHRND-LLVKDONJSA-N 0 0 236.271 2.432 20 5 BEBDRN Cc1ccc(C(=O)OCC(F)F)cc1[N+](=O)[O-] ZINC000064607902 642683491 /nfs/dbraw/zinc/68/34/91/642683491.db2.gz AQWAZBFRSBQUQX-UHFFFAOYSA-N 0 0 245.181 2.325 20 5 BEBDRN CC(C)[C@@H](O)COc1c(F)cccc1[N+](=O)[O-] ZINC000306040279 642720317 /nfs/dbraw/zinc/72/03/17/642720317.db2.gz RRZXMBAKHCQUTO-JTQLQIEISA-N 0 0 243.234 2.130 20 5 BEBDRN C[C@@H]1CCC[C@@]1(C)C(=O)OCCC[N+](=O)[O-] ZINC000860918617 643356373 /nfs/dbraw/zinc/35/63/73/643356373.db2.gz AXTNWYFBIRUFPF-MWLCHTKSSA-N 0 0 229.276 2.023 20 5 BEBDRN CC[C@@H](CC(C)C)C(=O)OCCC[N+](=O)[O-] ZINC000860918738 643356932 /nfs/dbraw/zinc/35/69/32/643356932.db2.gz DXTPXBPQXLIITA-JTQLQIEISA-N 0 0 231.292 2.269 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000804779743 643361483 /nfs/dbraw/zinc/36/14/83/643361483.db2.gz JEOSFRJVPZVBNX-GFCCVEGCSA-N 0 0 236.271 2.210 20 5 BEBDRN C/C=C/COC(=O)c1ccccc1[N+](=O)[O-] ZINC000073185916 643408197 /nfs/dbraw/zinc/40/81/97/643408197.db2.gz JRXXRISONDEOGX-NSCUHMNNSA-N 0 0 221.212 2.328 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CCOC1 ZINC000070966101 643596799 /nfs/dbraw/zinc/59/67/99/643596799.db2.gz UBTKQHVNEZDIMU-QMMMGPOBSA-N 0 0 242.662 2.449 20 5 BEBDRN C/C=C(\C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000175818074 643669047 /nfs/dbraw/zinc/66/90/47/643669047.db2.gz BLSZOBITPNMHMF-FPYGCLRLSA-N 0 0 220.228 2.500 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1CSCCCO ZINC000085163346 643689733 /nfs/dbraw/zinc/68/97/33/643689733.db2.gz KIWZWKOWQRTGQO-UHFFFAOYSA-N 0 0 245.275 2.350 20 5 BEBDRN O=C(OC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000079169217 644157036 /nfs/dbraw/zinc/15/70/36/644157036.db2.gz BWCAMVIUHDXKIS-UHFFFAOYSA-N 0 0 221.212 2.304 20 5 BEBDRN CC1(CNc2cc([N+](=O)[O-])ccc2F)COC1 ZINC000227522695 644156825 /nfs/dbraw/zinc/15/68/25/644156825.db2.gz JBMKWKXBNKCSEH-UHFFFAOYSA-N 0 0 240.234 2.182 20 5 BEBDRN Cc1ccc(NC(=O)C(F)F)cc1[N+](=O)[O-] ZINC000193055664 644210466 /nfs/dbraw/zinc/21/04/66/644210466.db2.gz SCLRXMHOQHOKQM-UHFFFAOYSA-N 0 0 230.170 2.107 20 5 BEBDRN Cc1ccc(C(=O)Nc2ccon2)cc1[N+](=O)[O-] ZINC000194926292 644353431 /nfs/dbraw/zinc/35/34/31/644353431.db2.gz HRAUXLCWBKLBOC-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN O=C(Cc1cccc([N+](=O)[O-])c1)OCCC1CC1 ZINC000745335820 644573299 /nfs/dbraw/zinc/57/32/99/644573299.db2.gz UQGOCZAKHVSVRS-UHFFFAOYSA-N 0 0 249.266 2.481 20 5 BEBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)O[C@H]1C=CCC1 ZINC000780559429 644732809 /nfs/dbraw/zinc/73/28/09/644732809.db2.gz UWQRMWMLIWHHFX-LBPRGKRZSA-N 0 0 247.250 2.399 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC(F)C2)cc1Cl ZINC000783666617 644758389 /nfs/dbraw/zinc/75/83/89/644758389.db2.gz IMBLBABQLVLLBC-UHFFFAOYSA-N 0 0 244.653 2.402 20 5 BEBDRN CN(C(=O)CCC(C)(C)[N+](=O)[O-])C(C)(C)C ZINC000843717316 645307484 /nfs/dbraw/zinc/30/74/84/645307484.db2.gz WFIWMIZJYCJBGJ-UHFFFAOYSA-N 0 0 230.308 2.079 20 5 BEBDRN O=[N+]([O-])c1sccc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC000845752966 645385568 /nfs/dbraw/zinc/38/55/68/645385568.db2.gz LBOHXEHJKCPWNK-OLQVQODUSA-N 0 0 246.238 2.358 20 5 BEBDRN CCCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929221933 646019384 /nfs/dbraw/zinc/01/93/84/646019384.db2.gz PPIRKDFHBFJFOC-NWDGAFQWSA-N 0 0 248.282 2.225 20 5 BEBDRN CCCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929221935 646020087 /nfs/dbraw/zinc/02/00/87/646020087.db2.gz PPIRKDFHBFJFOC-VXGBXAGGSA-N 0 0 248.282 2.225 20 5 BEBDRN Cc1ccccc1[C@@H](C)[N@H+](C)CC[N+](=O)[O-] ZINC000929326752 646081245 /nfs/dbraw/zinc/08/12/45/646081245.db2.gz XGRDQFGTEWICSU-LLVKDONJSA-N 0 0 222.288 2.265 20 5 BEBDRN CC(C)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])o1 ZINC000763546683 711866360 /nfs/dbraw/zinc/86/63/60/711866360.db2.gz DKRZZSFDBDKAGF-SSDOTTSWSA-N 0 0 227.216 2.389 20 5 BEBDRN CC1(C)C[C@]1(C)CNc1ncc([N+](=O)[O-])cn1 ZINC000702325862 712047084 /nfs/dbraw/zinc/04/70/84/712047084.db2.gz RZTWTARFZPGZNB-LLVKDONJSA-N 0 0 236.275 2.233 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2C=CCC2)nc1 ZINC000711678633 712315873 /nfs/dbraw/zinc/31/58/73/712315873.db2.gz IJXXPACFXLWHTJ-VIFPVBQESA-N 0 0 219.244 2.368 20 5 BEBDRN Cc1nn(C)c(NC[C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC000711720352 712319489 /nfs/dbraw/zinc/31/94/89/712319489.db2.gz SPVXVFWUOHUSFI-SECBINFHSA-N 0 0 236.275 2.015 20 5 BEBDRN COC(C)(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000711830370 712333136 /nfs/dbraw/zinc/33/31/36/712333136.db2.gz DCGFGZBWMCITDA-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN CCN(CC[N+](=O)[O-])Cc1c(F)cccc1F ZINC000791053662 712422010 /nfs/dbraw/zinc/42/20/10/712422010.db2.gz VLQBMNSKGAZPBT-UHFFFAOYSA-N 0 0 244.241 2.063 20 5 BEBDRN C[C@@H](c1cc(F)ccc1F)N(C)CC[N+](=O)[O-] ZINC000791054341 712422343 /nfs/dbraw/zinc/42/23/43/712422343.db2.gz SZGLENKZDKCROO-QMMMGPOBSA-N 0 0 244.241 2.234 20 5 BEBDRN C=C/C=C/CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000713459399 712460616 /nfs/dbraw/zinc/46/06/16/712460616.db2.gz CNUCBYQUMMOFQF-AATRIKPKSA-N 0 0 236.275 2.181 20 5 BEBDRN CCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000037023344 712529804 /nfs/dbraw/zinc/52/98/04/712529804.db2.gz VXTGVHLSOOUQDF-UHFFFAOYSA-N 0 0 242.662 2.340 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1NC1CCOCC1 ZINC000037420980 712629346 /nfs/dbraw/zinc/62/93/46/712629346.db2.gz CXNABGZXQHDREI-UHFFFAOYSA-N 0 0 240.234 2.325 20 5 BEBDRN C[C@H](O)CSc1ccc([N+](=O)[O-])cc1 ZINC000037697002 712742047 /nfs/dbraw/zinc/74/20/47/712742047.db2.gz LFPMKDLSMWKTTD-ZETCQYMHSA-N 0 0 213.258 2.068 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@H](O)C1 ZINC000720893735 712876065 /nfs/dbraw/zinc/87/60/65/712876065.db2.gz QNKCORFUBCFBID-HOMQSWHASA-N 0 0 236.271 2.086 20 5 BEBDRN O=[N+]([O-])c1sccc1NC[C@@H]1CCOC1 ZINC000308908540 959540870 /nfs/dbraw/zinc/54/08/70/959540870.db2.gz FJJQIOSTBZFXLW-ZETCQYMHSA-N 0 0 228.273 2.105 20 5 BEBDRN CC[C@@H](C)Nc1ncc(OC)cc1[N+](=O)[O-] ZINC001157230136 963556529 /nfs/dbraw/zinc/55/65/29/963556529.db2.gz JSFVKEDNGVYCIO-SSDOTTSWSA-N 0 0 225.248 2.209 20 5 BEBDRN O=[N+]([O-])c1cccc(NC[C@H]2C[C@H](F)C2)n1 ZINC001157452723 963611764 /nfs/dbraw/zinc/61/17/64/963611764.db2.gz KHVFCKHQRXEURH-ZKCHVHJHSA-N 0 0 225.223 2.150 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)nc(N2CCCCO2)c1 ZINC001163927858 965642452 /nfs/dbraw/zinc/64/24/52/965642452.db2.gz CDPZOVKPTKIXKB-UHFFFAOYSA-N 0 0 243.650 2.175 20 5 BEBDRN COC[C@H](C)Oc1cccc(F)c1[N+](=O)[O-] ZINC000069736148 1165903208 /nfs/dbraw/zinc/90/32/08/1165903208.db2.gz VYDDETQCSPRFAH-ZETCQYMHSA-N 0 0 229.207 2.148 20 5 BEBDRN Nc1cc(N[C@@H]2C[C@@H]3CCC[C@H]23)ncc1[N+](=O)[O-] ZINC001348346286 1166073281 /nfs/dbraw/zinc/07/32/81/1166073281.db2.gz BTBDDQHCAYQIPA-OYNCUSHFSA-N 0 0 248.286 2.173 20 5 BEBDRN CO[C@@H](C)CNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000224480222 1166261380 /nfs/dbraw/zinc/26/13/80/1166261380.db2.gz LXUGGMDDJOISLR-LURJTMIESA-N 0 0 245.666 2.090 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1cnns1 ZINC001211287420 970218463 /nfs/dbraw/zinc/21/84/63/970218463.db2.gz LRUUOTRSEVUFSR-UHFFFAOYSA-N 0 0 236.256 2.498 20 5 BEBDRN Cc1nc(Cl)nc(N(C)C(C)C)c1[N+](=O)[O-] ZINC000232638184 1166773695 /nfs/dbraw/zinc/77/36/95/1166773695.db2.gz ZPNBNATXGNMHRU-UHFFFAOYSA-N 0 0 244.682 2.191 20 5 BEBDRN CC1(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000168109819 1166796956 /nfs/dbraw/zinc/79/69/56/1166796956.db2.gz HUSGPWBTEWMUMS-UHFFFAOYSA-N 0 0 237.215 2.467 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC2CCC2)n1 ZINC000238505164 1166892301 /nfs/dbraw/zinc/89/23/01/1166892301.db2.gz INDVLPXFMJBIBR-UHFFFAOYSA-N 0 0 208.217 2.230 20 5 BEBDRN CC[C@@H](COc1nccc(C)c1[N+](=O)[O-])OC ZINC001226117621 1167074107 /nfs/dbraw/zinc/07/41/07/1167074107.db2.gz CQYXMOUJVFNYHL-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN CC(C)(C)[C@@H]1CCN1c1ncc([N+](=O)[O-])cn1 ZINC001337383634 978316861 /nfs/dbraw/zinc/31/68/61/978316861.db2.gz TXHRDCJFCVLXLK-VIFPVBQESA-N 0 0 236.275 2.010 20 5 BEBDRN C[C@@H](Oc1ccnc([N+](=O)[O-])c1)C1CC1 ZINC001233854102 978712740 /nfs/dbraw/zinc/71/27/40/978712740.db2.gz BPCGOKFBVXNLIJ-SSDOTTSWSA-N 0 0 208.217 2.167 20 5 BEBDRN CCSCCSc1nn(C)cc1[N+](=O)[O-] ZINC001186034452 980315950 /nfs/dbraw/zinc/31/59/50/980315950.db2.gz OMOKXJXFKTYHBS-UHFFFAOYSA-N 0 0 247.345 2.174 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)C1CCC1 ZINC001344401129 980386830 /nfs/dbraw/zinc/38/68/30/980386830.db2.gz BNWUGDWIXQGPHZ-WCBMZHEXSA-N 0 0 229.276 2.021 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1COC[C@@H]1CCO1 ZINC001223534990 973139804 /nfs/dbraw/zinc/13/98/04/973139804.db2.gz CMMZSUFMLNBXNR-JTQLQIEISA-N 0 0 237.255 2.209 20 5 BEBDRN CC(C)Cc1nnc(-c2ccc([N+](=O)[O-])cn2)o1 ZINC001256472788 970851055 /nfs/dbraw/zinc/85/10/55/970851055.db2.gz PHDRTMFWJKXARD-UHFFFAOYSA-N 0 0 248.242 2.238 20 5 BEBDRN C[C@@H]1C[C@@H]1c1nnc(-c2ccc([N+](=O)[O-])nc2)o1 ZINC001256619505 970885063 /nfs/dbraw/zinc/88/50/63/970885063.db2.gz XHTCKKMEEVNKIL-SVRRBLITSA-N 0 0 246.226 2.163 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(NC(C2CC2)C2CC2)n1 ZINC001157920902 970929827 /nfs/dbraw/zinc/92/98/27/970929827.db2.gz ROQMYGPCTBJVOV-UHFFFAOYSA-N 0 0 248.286 2.294 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(Nc2cccnn2)c1 ZINC001216481425 971092096 /nfs/dbraw/zinc/09/20/96/971092096.db2.gz ZPLDQAJWSGLIKK-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(Nc2ccon2)c1 ZINC001216480652 971092400 /nfs/dbraw/zinc/09/24/00/971092400.db2.gz IELZNHDHCLRCIC-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(Nc2ncccn2)c1 ZINC001216480498 971094990 /nfs/dbraw/zinc/09/49/90/971094990.db2.gz CIKHFIOEPQVBFF-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN CO[C@@H](C)c1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC001257705725 971492564 /nfs/dbraw/zinc/49/25/64/971492564.db2.gz MJVJLJMBTBZNGX-ZETCQYMHSA-N 0 0 249.226 2.352 20 5 BEBDRN CO[C@H](C)COc1c(C)cc(F)cc1[N+](=O)[O-] ZINC001229198446 1169651707 /nfs/dbraw/zinc/65/17/07/1169651707.db2.gz MFWLVBIYYZSFKG-MRVPVSSYSA-N 0 0 243.234 2.456 20 5 BEBDRN Cc1c(OC[C@H]2C[C@H](O)C2)cccc1[N+](=O)[O-] ZINC001218424098 971800205 /nfs/dbraw/zinc/80/02/05/971800205.db2.gz FQMWJWJPOVGEED-MGCOHNPYSA-N 0 0 237.255 2.053 20 5 BEBDRN Cc1cc(OC[C@H]2C[C@H](O)C2)ccc1[N+](=O)[O-] ZINC001218426577 971804893 /nfs/dbraw/zinc/80/48/93/971804893.db2.gz VOCXPDRPQXWGKU-MGCOHNPYSA-N 0 0 237.255 2.053 20 5 BEBDRN CC1(C)CN(c2cc([N+](=O)[O-])cc(Cl)n2)C1 ZINC000309792288 971831289 /nfs/dbraw/zinc/83/12/89/971831289.db2.gz PAMHBJLUVVFVSV-UHFFFAOYSA-N 0 0 241.678 2.489 20 5 BEBDRN Cc1ccc(CNc2nccc(N)c2[N+](=O)[O-])o1 ZINC000311017569 971989626 /nfs/dbraw/zinc/98/96/26/971989626.db2.gz QISPLBBHUIYMOX-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN O=c1cc[nH]cc1Nc1cccc([N+](=O)[O-])c1 ZINC001204449626 957495394 /nfs/dbraw/zinc/49/53/94/957495394.db2.gz BIFGXITWEXQLEZ-UHFFFAOYSA-N 0 0 231.211 2.027 20 5 BEBDRN Cn1ccc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC000086781157 957676259 /nfs/dbraw/zinc/67/62/59/957676259.db2.gz SEKDKQODCUTVGH-UHFFFAOYSA-N 0 0 218.216 2.072 20 5 BEBDRN Nc1cccnc1Nc1cccc([N+](=O)[O-])c1F ZINC001210377908 957735229 /nfs/dbraw/zinc/73/52/29/957735229.db2.gz COKUYSADXXTLGF-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN Cc1c(NC2CC(=O)C2)cc(F)cc1[N+](=O)[O-] ZINC001167341350 957801258 /nfs/dbraw/zinc/80/12/58/957801258.db2.gz UCEJIUTVVXISMM-UHFFFAOYSA-N 0 0 238.218 2.186 20 5 BEBDRN Cc1c(F)cc([N+](=O)[O-])cc1NC1CC(=O)C1 ZINC001167348434 957854982 /nfs/dbraw/zinc/85/49/82/957854982.db2.gz YHHFEWAFJKINIV-UHFFFAOYSA-N 0 0 238.218 2.186 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1Nc1ccon1 ZINC001210949138 957958140 /nfs/dbraw/zinc/95/81/40/957958140.db2.gz HMAIRYLJRWIGLO-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(N[C@@H]2CCCC23CC3)n1 ZINC000706744234 958179252 /nfs/dbraw/zinc/17/92/52/958179252.db2.gz HTDTVKFUGLRCJM-SECBINFHSA-N 0 0 236.275 2.073 20 5 BEBDRN COc1cccc(NC2CSC2)c1[N+](=O)[O-] ZINC000702372961 958510070 /nfs/dbraw/zinc/51/00/70/958510070.db2.gz USZBAXKHABCTAP-UHFFFAOYSA-N 0 0 240.284 2.131 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NCC(C)C ZINC000309079931 958882492 /nfs/dbraw/zinc/88/24/92/958882492.db2.gz OCUOFUJTRNBILR-UHFFFAOYSA-N 0 0 209.249 2.366 20 5 BEBDRN C[C@@H](OCc1ncon1)c1ccccc1[N+](=O)[O-] ZINC001222895192 960839723 /nfs/dbraw/zinc/83/97/23/960839723.db2.gz KPGQQNZDIXEYRE-MRVPVSSYSA-N 0 0 249.226 2.256 20 5 BEBDRN Cc1ccc(COC[C@@H]2CCO2)cc1[N+](=O)[O-] ZINC001223223781 961107069 /nfs/dbraw/zinc/10/70/69/961107069.db2.gz FWAUNXMRVPWMNU-NSHDSACASA-N 0 0 237.255 2.209 20 5 BEBDRN C[C@H](OC[C@@H]1CCO1)c1cccc([N+](=O)[O-])c1 ZINC001223428082 961306804 /nfs/dbraw/zinc/30/68/04/961306804.db2.gz BZNSDPYHWDOLLV-CABZTGNLSA-N 0 0 237.255 2.461 20 5 BEBDRN C[C@H]1COC[C@@H]1Oc1ccc(F)c([N+](=O)[O-])c1 ZINC001225383183 962119390 /nfs/dbraw/zinc/11/93/90/962119390.db2.gz WBOOQVUWMUDPFY-CPCISQLKSA-N 0 0 241.218 2.148 20 5 BEBDRN CC[C@@H](COc1cc(C)c([N+](=O)[O-])cn1)OC ZINC001225662813 962574623 /nfs/dbraw/zinc/57/46/23/962574623.db2.gz OBSGTSWKAITTMU-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN CCCCNc1ccc([N+](=O)[O-])c(OC)n1 ZINC001154827916 962861857 /nfs/dbraw/zinc/86/18/57/962861857.db2.gz VSOBBAVRBIHZCZ-UHFFFAOYSA-N 0 0 225.248 2.210 20 5 BEBDRN CCCCNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001154828121 962862060 /nfs/dbraw/zinc/86/20/60/962862060.db2.gz QKNRBZWMFDBILN-UHFFFAOYSA-N 0 0 245.666 2.094 20 5 BEBDRN Nc1ccccc1CNc1cc([N+](=O)[O-])ccn1 ZINC001155981359 963220969 /nfs/dbraw/zinc/22/09/69/963220969.db2.gz DKDYYHGSWGYNGW-UHFFFAOYSA-N 0 0 244.254 2.184 20 5 BEBDRN CC[C@@H](C)Nc1cc([N+](=O)[O-])c(OC)cn1 ZINC001168001023 963226095 /nfs/dbraw/zinc/22/60/95/963226095.db2.gz YEPVTEYGCYZKLO-SSDOTTSWSA-N 0 0 225.248 2.209 20 5 BEBDRN CC[C@H](C)Nc1cccc2ncc([N+](=O)[O-])n21 ZINC001168004186 963249397 /nfs/dbraw/zinc/24/93/97/963249397.db2.gz UJPOOEDAQOIZAF-QMMMGPOBSA-N 0 0 234.259 2.453 20 5 BEBDRN C[C@@H]1CN(c2cc([N+](=O)[O-])ccn2)C2(CC2)C1 ZINC001156401658 963331229 /nfs/dbraw/zinc/33/12/29/963331229.db2.gz IUGICYKNGDGZEF-VIFPVBQESA-N 0 0 233.271 2.369 20 5 BEBDRN CCCN(C)c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001156878091 963480160 /nfs/dbraw/zinc/48/01/60/963480160.db2.gz OIRWEXHWVMPZLK-UHFFFAOYSA-N 0 0 234.259 2.317 20 5 BEBDRN Cc1nc(N2CC3CC(C3)C2)ccc1[N+](=O)[O-] ZINC001156887814 963482154 /nfs/dbraw/zinc/48/21/54/963482154.db2.gz NYEFBYZAWQPTFG-UHFFFAOYSA-N 0 0 233.271 2.144 20 5 BEBDRN Cc1cc(NC=N)nc2ccc([N+](=O)[O-])cc12 ZINC001157073540 963521634 /nfs/dbraw/zinc/52/16/34/963521634.db2.gz QMTMYGKBILPAFQ-UHFFFAOYSA-N 0 0 230.227 2.470 20 5 BEBDRN Cc1cnc(NC[C@H]2C[C@H](F)C2)c([N+](=O)[O-])c1 ZINC001157451962 963612546 /nfs/dbraw/zinc/61/25/46/963612546.db2.gz WXFJQPHREGWZHE-KYZUINATSA-N 0 0 239.250 2.458 20 5 BEBDRN C[C@H](Oc1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC001228302336 963739033 /nfs/dbraw/zinc/73/90/33/963739033.db2.gz JZOWPHFJGTTWOS-QMMMGPOBSA-N 0 0 233.227 2.458 20 5 BEBDRN O=[N+]([O-])c1cccc(N2C3CCC2CC3)n1 ZINC001159077743 963993397 /nfs/dbraw/zinc/99/33/97/963993397.db2.gz HKCQFSQDADQGEG-UHFFFAOYSA-N 0 0 219.244 2.121 20 5 BEBDRN O=[N+]([O-])c1cccc(NCOc2ccccc2)n1 ZINC001159702119 964157202 /nfs/dbraw/zinc/15/72/02/964157202.db2.gz DMWFXSULPWRISW-UHFFFAOYSA-N 0 0 245.238 2.438 20 5 BEBDRN CCC1(Nc2ncc([N+](=O)[O-])cc2N)CCC1 ZINC001161561286 964640079 /nfs/dbraw/zinc/64/00/79/964640079.db2.gz JAEKKZYNJINQRO-UHFFFAOYSA-N 0 0 236.275 2.317 20 5 BEBDRN Cc1cnc(NC2CC(F)C2)cc1[N+](=O)[O-] ZINC001162212755 964873484 /nfs/dbraw/zinc/87/34/84/964873484.db2.gz YWHSJAUZHYEOHW-UHFFFAOYSA-N 0 0 225.223 2.211 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCC(C)C ZINC001204923558 965024236 /nfs/dbraw/zinc/02/42/36/965024236.db2.gz PISOWLUBCLSNQY-VIFPVBQESA-N 0 0 241.291 2.161 20 5 BEBDRN Cc1cnc(N[C@@H](C)c2ccno2)c([N+](=O)[O-])c1 ZINC001163207615 965298070 /nfs/dbraw/zinc/29/80/70/965298070.db2.gz QMRFUECKSDLAMP-QMMMGPOBSA-N 0 0 248.242 2.459 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC=CC2)c(Cl)c1 ZINC001163459937 965412269 /nfs/dbraw/zinc/41/22/69/965412269.db2.gz WWFQYCMWGNMQSN-UHFFFAOYSA-N 0 0 225.635 2.019 20 5 BEBDRN CC[C@H](F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001120820852 965420874 /nfs/dbraw/zinc/42/08/74/965420874.db2.gz AAMDVYVZHWVSLR-ZETCQYMHSA-N 0 0 244.197 2.421 20 5 BEBDRN CN(C)c1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001163569164 965432944 /nfs/dbraw/zinc/43/29/44/965432944.db2.gz INJSSGNNENUGJL-UHFFFAOYSA-N 0 0 236.058 2.363 20 5 BEBDRN CCN(C)c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001163582511 965459627 /nfs/dbraw/zinc/45/96/27/965459627.db2.gz BBDXEIKPEYTEKU-UHFFFAOYSA-N 0 0 229.667 2.408 20 5 BEBDRN CCCOCCNc1cc([N+](=O)[O-])c(C)cn1 ZINC000714975670 965571126 /nfs/dbraw/zinc/57/11/26/965571126.db2.gz RKJAOQLGHHLEOF-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN CC1(Nc2ncnc3[nH]cc([N+](=O)[O-])c32)CCC1 ZINC001164029680 965701300 /nfs/dbraw/zinc/70/13/00/965701300.db2.gz FIGDCXLBLKZOFZ-UHFFFAOYSA-N 0 0 247.258 2.221 20 5 BEBDRN CCCO[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001205090489 965703729 /nfs/dbraw/zinc/70/37/29/965703729.db2.gz BURFKAABTSPBDW-LBPRGKRZSA-N 0 0 221.256 2.489 20 5 BEBDRN Nc1nc(N[C@@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000094261781 966462454 /nfs/dbraw/zinc/46/24/54/966462454.db2.gz CEMBWAOZDYQCKX-MRVPVSSYSA-N 0 0 234.259 2.093 20 5 BEBDRN Cc1conc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203561020 966686554 /nfs/dbraw/zinc/68/65/54/966686554.db2.gz SXBNLMUMUODQMZ-UHFFFAOYSA-N 0 0 220.188 2.030 20 5 BEBDRN Nc1cccc(Nc2ccc([N+](=O)[O-])nc2)c1O ZINC001203584924 966695702 /nfs/dbraw/zinc/69/57/02/966695702.db2.gz MSPNYAYDZFVJEJ-UHFFFAOYSA-N 0 0 246.226 2.021 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cncs2)cn1 ZINC001203566720 966697129 /nfs/dbraw/zinc/69/71/29/966697129.db2.gz NQBSLTRNVQPRBC-UHFFFAOYSA-N 0 0 222.229 2.190 20 5 BEBDRN Cc1ncc(Nc2cccc([N+](=O)[O-])c2)c(=O)[nH]1 ZINC001204450641 967000352 /nfs/dbraw/zinc/00/03/52/967000352.db2.gz SAYVEKXLDVTZND-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1cc(Cl)c(NC#N)c([N+](=O)[O-])c1 ZINC001168635728 967154392 /nfs/dbraw/zinc/15/43/92/967154392.db2.gz BPGZHLLZAFYYOC-UHFFFAOYSA-N 0 0 211.608 2.450 20 5 BEBDRN C/C=C/CO[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001205043180 967283109 /nfs/dbraw/zinc/28/31/09/967283109.db2.gz LEIIPOVKOQTUOY-MOVJSRMASA-N 0 0 239.275 2.081 20 5 BEBDRN C/C=C/CO[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001205043181 967285498 /nfs/dbraw/zinc/28/54/98/967285498.db2.gz LEIIPOVKOQTUOY-XNPJLODASA-N 0 0 239.275 2.081 20 5 BEBDRN Cc1ccncc1CNc1cccnc1[N+](=O)[O-] ZINC000163059534 967336223 /nfs/dbraw/zinc/33/62/23/967336223.db2.gz NZGRLQFYASZINO-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CN(C)c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001163573065 968066818 /nfs/dbraw/zinc/06/68/18/968066818.db2.gz WDWXVLAAXMJKAG-UHFFFAOYSA-N 0 0 244.254 2.118 20 5 BEBDRN O=[N+]([O-])c1ccccc1Nc1ccnnc1 ZINC001206145173 968086431 /nfs/dbraw/zinc/08/64/31/968086431.db2.gz YYOLDGOTIMNXOF-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN Cc1c(Nc2ccccc2[N+](=O)[O-])ncn1C ZINC001206150469 968090843 /nfs/dbraw/zinc/09/08/43/968090843.db2.gz VQSYPEFMMMDTCY-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Cc1nc(CO[C@H](C[N+](=O)[O-])C2CC2)cs1 ZINC001206447010 968310653 /nfs/dbraw/zinc/31/06/53/968310653.db2.gz JYNUOVXRPWAOBK-SNVBAGLBSA-N 0 0 242.300 2.023 20 5 BEBDRN C[C@@H](Oc1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC001231182589 968538888 /nfs/dbraw/zinc/53/88/88/968538888.db2.gz NKUIHJFTVUDDIJ-SECBINFHSA-N 0 0 247.254 2.468 20 5 BEBDRN Cc1sc(C(=O)OCCCF)cc1[N+](=O)[O-] ZINC000741443755 968905292 /nfs/dbraw/zinc/90/52/92/968905292.db2.gz HROQWOIGRVCYHJ-UHFFFAOYSA-N 0 0 247.247 2.481 20 5 BEBDRN CCCN(CCC)c1nc(C)ncc1[N+](=O)[O-] ZINC001155179551 968915400 /nfs/dbraw/zinc/91/54/00/968915400.db2.gz OXIMUAWAFLSEJR-UHFFFAOYSA-N 0 0 238.291 2.320 20 5 BEBDRN Cc1nnc(Cc2c(F)cccc2[N+](=O)[O-])o1 ZINC001253421252 969168020 /nfs/dbraw/zinc/16/80/20/969168020.db2.gz MXSWJBPXHJGTMA-UHFFFAOYSA-N 0 0 237.190 2.016 20 5 BEBDRN O=[N+]([O-])C[C@@H]1CC[C@@H](N2CCCC(F)(F)C2)C1 ZINC001169008274 969332691 /nfs/dbraw/zinc/33/26/91/969332691.db2.gz SPVICJYDJDFDIZ-NXEZZACHSA-N 0 0 248.273 2.163 20 5 BEBDRN O=[N+]([O-])C[C@H]1CC[C@H](N2CCCC(F)(F)C2)C1 ZINC001169008275 969334909 /nfs/dbraw/zinc/33/49/09/969334909.db2.gz SPVICJYDJDFDIZ-UWVGGRQHSA-N 0 0 248.273 2.163 20 5 BEBDRN [CH2]CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254548103 969737022 /nfs/dbraw/zinc/73/70/22/969737022.db2.gz JYKOKTDJOQHZDA-JTQLQIEISA-N 0 0 221.280 2.340 20 5 BEBDRN O=[N+]([O-])C[C@@H](OCCCCF)c1cccnc1 ZINC001209986961 969750107 /nfs/dbraw/zinc/75/01/07/969750107.db2.gz BYKBTRCZMKSFFJ-LLVKDONJSA-N 0 0 242.250 2.166 20 5 BEBDRN Cc1cncnc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210395432 969884449 /nfs/dbraw/zinc/88/44/49/969884449.db2.gz WKPMPUOZAWVLKY-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Nc1cncnc1 ZINC001210444291 969889934 /nfs/dbraw/zinc/88/99/34/969889934.db2.gz XPYPTWFRQBSGEF-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN CCc1nnc(-c2cccc([N+](=O)[O-])c2F)o1 ZINC001255132580 969948438 /nfs/dbraw/zinc/94/84/38/969948438.db2.gz RPUWMJZLFRVHPL-UHFFFAOYSA-N 0 0 237.190 2.346 20 5 BEBDRN CCc1nnc(-c2cc(F)ccc2[N+](=O)[O-])o1 ZINC001255131564 969948755 /nfs/dbraw/zinc/94/87/55/969948755.db2.gz CSSNILHKXXUITR-UHFFFAOYSA-N 0 0 237.190 2.346 20 5 BEBDRN CC[C@@H](C)Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001157236549 970163987 /nfs/dbraw/zinc/16/39/87/970163987.db2.gz DJBYPTXJYDRRDZ-ZCFIWIBFSA-N 0 0 245.666 2.092 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2cnoc2)ccc1F ZINC001211190326 970168370 /nfs/dbraw/zinc/16/83/70/970168370.db2.gz RGSUCYNFTUUPPN-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN Cc1ccc(Nc2nccn2C)c([N+](=O)[O-])c1 ZINC001214164849 970443835 /nfs/dbraw/zinc/44/38/35/970443835.db2.gz FQTBURSTBPOKEU-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN CC(=O)[C@H](C)OCc1cccc([N+](=O)[O-])c1 ZINC001222769505 972690843 /nfs/dbraw/zinc/69/08/43/972690843.db2.gz UXCVGQLWGMGIOJ-VIFPVBQESA-N 0 0 223.228 2.089 20 5 BEBDRN CO[C@H](C)COCc1ccc([N+](=O)[O-])cc1 ZINC001222791295 972697125 /nfs/dbraw/zinc/69/71/25/972697125.db2.gz NBLBMZHFLHDLLH-SECBINFHSA-N 0 0 225.244 2.146 20 5 BEBDRN COC[C@H](C)OCc1ccc([N+](=O)[O-])cc1 ZINC001222790591 972698031 /nfs/dbraw/zinc/69/80/31/972698031.db2.gz WGAYZRYICWBVMU-VIFPVBQESA-N 0 0 225.244 2.146 20 5 BEBDRN O=[N+]([O-])c1ccc(CO[C@@H]2CCCOC2)cc1 ZINC001222790688 972698547 /nfs/dbraw/zinc/69/85/47/972698547.db2.gz ZCPBGCDBNASLDM-GFCCVEGCSA-N 0 0 237.255 2.290 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NCC1=CCCC1 ZINC001327727665 972719506 /nfs/dbraw/zinc/71/95/06/972719506.db2.gz YYTYPLXYSNLXPI-UHFFFAOYSA-N 0 0 233.271 2.242 20 5 BEBDRN CCC(=O)COc1cc([N+](=O)[O-])c(F)cc1F ZINC001328044958 972860402 /nfs/dbraw/zinc/86/04/02/972860402.db2.gz KVFKXNDEHIJVKA-UHFFFAOYSA-N 0 0 245.181 2.231 20 5 BEBDRN COC[C@H](C)OCc1ccc(C)c([N+](=O)[O-])c1 ZINC001223223150 972891843 /nfs/dbraw/zinc/89/18/43/972891843.db2.gz ZWJISDKZRSCOHG-JTQLQIEISA-N 0 0 239.271 2.455 20 5 BEBDRN CC(=O)[C@@H](C)OCc1ccc(C)c([N+](=O)[O-])c1 ZINC001223224124 972891992 /nfs/dbraw/zinc/89/19/92/972891992.db2.gz JFRWFOQMMGCAQP-SNVBAGLBSA-N 0 0 237.255 2.397 20 5 BEBDRN CO[C@H](C)COCc1cccc(C)c1[N+](=O)[O-] ZINC001223661507 973220553 /nfs/dbraw/zinc/22/05/53/973220553.db2.gz RJUJEMMRKLSZFD-SNVBAGLBSA-N 0 0 239.271 2.455 20 5 BEBDRN C[C@H](O[C@@H](C[N+](=O)[O-])C1CC1)c1ccccn1 ZINC001223997121 973388060 /nfs/dbraw/zinc/38/80/60/973388060.db2.gz WCMDDYSRWYIUGN-CABZTGNLSA-N 0 0 236.271 2.215 20 5 BEBDRN O=[N+]([O-])c1ccc(COC2CC=CC2)cn1 ZINC001224109639 973450581 /nfs/dbraw/zinc/45/05/81/973450581.db2.gz VRWRQIWBYALJKT-UHFFFAOYSA-N 0 0 220.228 2.225 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC1CC2(CCC2)C1 ZINC001329649659 973869598 /nfs/dbraw/zinc/86/95/98/973869598.db2.gz YTOZLNFXHFLFDR-UHFFFAOYSA-N 0 0 247.298 2.465 20 5 BEBDRN Cc1nc(NCC2CC=CC2)ncc1[N+](=O)[O-] ZINC001329756572 973917882 /nfs/dbraw/zinc/91/78/82/973917882.db2.gz YQUZQVNQGOZAAU-UHFFFAOYSA-N 0 0 234.259 2.071 20 5 BEBDRN O=[N+]([O-])C[C@H](OCCc1cccs1)C1CC1 ZINC001224784935 973955604 /nfs/dbraw/zinc/95/56/04/973955604.db2.gz ARIWDTBZLPAOHT-NSHDSACASA-N 0 0 241.312 2.363 20 5 BEBDRN Cc1ccc(O[C@@H](C[N+](=O)[O-])C2CC2)cc1 ZINC001225260382 974323241 /nfs/dbraw/zinc/32/32/41/974323241.db2.gz KIQKBZPGDKFYOG-LBPRGKRZSA-N 0 0 221.256 2.429 20 5 BEBDRN Cc1nc(N[C@@H](C)C2CCC2)ncc1[N+](=O)[O-] ZINC001330589749 974341037 /nfs/dbraw/zinc/34/10/37/974341037.db2.gz HHTLHPCOCJPFAX-ZETCQYMHSA-N 0 0 236.275 2.294 20 5 BEBDRN O=[N+]([O-])c1cccnc1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001225592843 974578396 /nfs/dbraw/zinc/57/83/96/974578396.db2.gz IWDNQWDVWYKHEV-IQJOONFLSA-N 0 0 232.239 2.333 20 5 BEBDRN O=[N+]([O-])c1cccnc1OC1CC=CC1 ZINC001225592443 974580669 /nfs/dbraw/zinc/58/06/69/974580669.db2.gz GVQYFVXPKQKECC-UHFFFAOYSA-N 0 0 206.201 2.087 20 5 BEBDRN O=[N+]([O-])c1cccnc1O[C@@H]1C=CCCC1 ZINC001225593433 974581010 /nfs/dbraw/zinc/58/10/10/974581010.db2.gz QJKFSYJBYRZKRL-SECBINFHSA-N 0 0 220.228 2.477 20 5 BEBDRN CCNc1c2cc(OC)ccc2ncc1[N+](=O)[O-] ZINC001331085577 974595250 /nfs/dbraw/zinc/59/52/50/974595250.db2.gz LGRIWJUAQAIUNF-UHFFFAOYSA-N 0 0 247.254 2.005 20 5 BEBDRN O=[N+]([O-])c1ncccc1OC1CC=CC1 ZINC001225628758 974604934 /nfs/dbraw/zinc/60/49/34/974604934.db2.gz UNBMNDLZIKABRR-UHFFFAOYSA-N 0 0 206.201 2.087 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1O[C@H]1CCCOC1 ZINC001225663312 974632193 /nfs/dbraw/zinc/63/21/93/974632193.db2.gz CSCXLYMFNWTSFB-QMMMGPOBSA-N 0 0 241.218 2.292 20 5 BEBDRN CO[C@H](C)COc1cccc(F)c1[N+](=O)[O-] ZINC001225665620 974634238 /nfs/dbraw/zinc/63/42/38/974634238.db2.gz BVKVDPYHKUHUPI-SSDOTTSWSA-N 0 0 229.207 2.148 20 5 BEBDRN O=[N+]([O-])c1cccc(OC[C@@H]2CCO2)c1Cl ZINC001225786409 974681748 /nfs/dbraw/zinc/68/17/48/974681748.db2.gz RZUCGSIWTODTQJ-ZETCQYMHSA-N 0 0 243.646 2.416 20 5 BEBDRN CC(=O)[C@@H](C)Oc1cccc([N+](=O)[O-])c1F ZINC001225794428 974687728 /nfs/dbraw/zinc/68/77/28/974687728.db2.gz QONRVZJUSZOWLH-SSDOTTSWSA-N 0 0 227.191 2.090 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2CCCOC2)c(F)c1 ZINC001225942737 974740278 /nfs/dbraw/zinc/74/02/78/974740278.db2.gz VKBMAVRGIUTYQA-VIFPVBQESA-N 0 0 241.218 2.292 20 5 BEBDRN O=[N+]([O-])c1ccc(F)c(F)c1OC[C@@H]1CCO1 ZINC001225960610 974743987 /nfs/dbraw/zinc/74/39/87/974743987.db2.gz PMFXFBACWWDQHF-LURJTMIESA-N 0 0 245.181 2.041 20 5 BEBDRN CC(C)OCCOc1c(O)cccc1[N+](=O)[O-] ZINC001226333553 974863122 /nfs/dbraw/zinc/86/31/22/974863122.db2.gz LXUWLOYXTDVKBG-UHFFFAOYSA-N 0 0 241.243 2.104 20 5 BEBDRN O=[N+]([O-])c1cccc(O)c1OC1CC(F)(F)C1 ZINC001226334348 974863217 /nfs/dbraw/zinc/86/32/17/974863217.db2.gz SZRJSLDGKCEKJB-UHFFFAOYSA-N 0 0 245.181 2.477 20 5 BEBDRN C[C@@H](Oc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC001226711551 975044527 /nfs/dbraw/zinc/04/45/27/975044527.db2.gz UEUNRIGZBGESHF-SSDOTTSWSA-N 0 0 208.217 2.167 20 5 BEBDRN CC(C)C[C@@H](C)Oc1ncc([N+](=O)[O-])cn1 ZINC001226732374 975051837 /nfs/dbraw/zinc/05/18/37/975051837.db2.gz UWSFWDPUYWOLLR-MRVPVSSYSA-N 0 0 225.248 2.198 20 5 BEBDRN C[C@H]1CCCC[C@@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226731211 975052505 /nfs/dbraw/zinc/05/25/05/975052505.db2.gz MDYTUGAMWCQGFF-WPRPVWTQSA-N 0 0 237.259 2.342 20 5 BEBDRN C[C@@H]1CCCC[C@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226731208 975052638 /nfs/dbraw/zinc/05/26/38/975052638.db2.gz MDYTUGAMWCQGFF-PSASIEDQSA-N 0 0 237.259 2.342 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1OC1CCC1 ZINC001226755390 975059508 /nfs/dbraw/zinc/05/95/08/975059508.db2.gz LXIJNVNVCBNAJJ-UHFFFAOYSA-N 0 0 212.180 2.060 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1OCCOC(C)C ZINC001226762644 975064298 /nfs/dbraw/zinc/06/42/98/975064298.db2.gz YATBATLGWOUILZ-UHFFFAOYSA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1ccc(CNC(=O)CC2CC2)cc1[N+](=O)[O-] ZINC001332372834 975078537 /nfs/dbraw/zinc/07/85/37/975078537.db2.gz IZBRAUWMPIHTHU-UHFFFAOYSA-N 0 0 248.282 2.320 20 5 BEBDRN Cc1cc(OC[C@@H]2CCO2)ccc1[N+](=O)[O-] ZINC001226841077 975118939 /nfs/dbraw/zinc/11/89/39/975118939.db2.gz JMXZUXXWPTUMBE-JTQLQIEISA-N 0 0 223.228 2.071 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(Cl)c1OC1COC1 ZINC001226989982 975208693 /nfs/dbraw/zinc/20/86/93/975208693.db2.gz QOAUIVDPWHVXKA-UHFFFAOYSA-N 0 0 243.646 2.334 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)CN(CCOC1CC1)C2 ZINC001332658869 975242472 /nfs/dbraw/zinc/24/24/72/975242472.db2.gz YIFKRANDWSVLLT-UHFFFAOYSA-N 0 0 248.282 2.089 20 5 BEBDRN CC[C@H](C)Oc1nc(C)ccc1[N+](=O)[O-] ZINC001227062015 975248982 /nfs/dbraw/zinc/24/89/82/975248982.db2.gz FXRBAVSGPKLWHM-QMMMGPOBSA-N 0 0 210.233 2.476 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)c(F)cc1OC1COC1 ZINC001227153658 975299441 /nfs/dbraw/zinc/29/94/41/975299441.db2.gz JSXJBAFDBQNEQP-UHFFFAOYSA-N 0 0 247.609 2.165 20 5 BEBDRN CC1=C(Oc2ccccc2[N+](=O)[O-])C(=O)O[C@@H]1C ZINC001227479257 975459719 /nfs/dbraw/zinc/45/97/19/975459719.db2.gz FYKLSSMTLIWMLS-MRVPVSSYSA-N 0 0 249.222 2.193 20 5 BEBDRN CC[C@H](COC)Oc1ccccc1[N+](=O)[O-] ZINC001227478792 975464533 /nfs/dbraw/zinc/46/45/33/975464533.db2.gz CCUAQFFMUKWYQI-SECBINFHSA-N 0 0 225.244 2.399 20 5 BEBDRN O=[N+]([O-])c1ccccc1O[C@@H]1CCn2ccnc21 ZINC001227483194 975467226 /nfs/dbraw/zinc/46/72/26/975467226.db2.gz SKZMDDAFFQIHQJ-LLVKDONJSA-N 0 0 245.238 2.315 20 5 BEBDRN Cc1ccc(O)c(O[C@@H](C[N+](=O)[O-])C2CC2)c1 ZINC001227538786 975527608 /nfs/dbraw/zinc/52/76/08/975527608.db2.gz LRMGUZDJDDEZRL-LBPRGKRZSA-N 0 0 237.255 2.135 20 5 BEBDRN C[C@H](Oc1ncc([N+](=O)[O-])c2nc[nH]c21)C1CC1 ZINC001227692974 975614115 /nfs/dbraw/zinc/61/41/15/975614115.db2.gz HVRZYEKRGXFJGI-LURJTMIESA-N 0 0 248.242 2.043 20 5 BEBDRN C[C@H](Oc1cncc([N+](=O)[O-])c1)C1CC1 ZINC001227985840 975830620 /nfs/dbraw/zinc/83/06/20/975830620.db2.gz ZGXFYRGPFMUDKA-ZETCQYMHSA-N 0 0 208.217 2.167 20 5 BEBDRN C[C@@H](Oc1cncc([N+](=O)[O-])c1)C1CC1 ZINC001227985839 975831533 /nfs/dbraw/zinc/83/15/33/975831533.db2.gz ZGXFYRGPFMUDKA-SSDOTTSWSA-N 0 0 208.217 2.167 20 5 BEBDRN CCC[C@@H](CC)Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228142260 975935249 /nfs/dbraw/zinc/93/52/49/975935249.db2.gz CBEYYVMGKSFJEW-SSDOTTSWSA-N 0 0 241.247 2.048 20 5 BEBDRN C[C@H](Oc1nccn1C)c1ccccc1[N+](=O)[O-] ZINC001228315709 976100608 /nfs/dbraw/zinc/10/06/08/976100608.db2.gz STTUXCXSTVZNHT-VIFPVBQESA-N 0 0 247.254 2.468 20 5 BEBDRN C[C@@H](O)Cc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC001334005016 976213917 /nfs/dbraw/zinc/21/39/17/976213917.db2.gz BLFDXQZRWYZACE-MRVPVSSYSA-N 0 0 248.238 2.173 20 5 BEBDRN CO[C@H](C)COc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001228614024 976385006 /nfs/dbraw/zinc/38/50/06/976385006.db2.gz SIWJBHSZNKXFNR-ZCFIWIBFSA-N 0 0 247.197 2.287 20 5 BEBDRN O=[N+]([O-])c1cncnc1O[C@H]1CC2CCC1CC2 ZINC001228655271 976412175 /nfs/dbraw/zinc/41/21/75/976412175.db2.gz QASGLHROBXJARW-AMUVOQDHSA-N 0 0 249.270 2.342 20 5 BEBDRN CC(C)C[C@@H](C)Oc1ncncc1[N+](=O)[O-] ZINC001228656952 976413234 /nfs/dbraw/zinc/41/32/34/976413234.db2.gz LDCIIIFZFBWEBS-MRVPVSSYSA-N 0 0 225.248 2.198 20 5 BEBDRN O=[N+]([O-])c1ccncc1O[C@H]1C=CCCC1 ZINC001228878925 976544296 /nfs/dbraw/zinc/54/42/96/976544296.db2.gz AGJQGWQANPZXIB-VIFPVBQESA-N 0 0 220.228 2.477 20 5 BEBDRN O=[N+]([O-])c1ccncc1OC1CCCC1 ZINC001228879866 976546782 /nfs/dbraw/zinc/54/67/82/976546782.db2.gz MIWJOJUZPDTJBP-UHFFFAOYSA-N 0 0 208.217 2.311 20 5 BEBDRN Nc1cccnc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174475000 976788819 /nfs/dbraw/zinc/78/88/19/976788819.db2.gz AGGXACDMWWEBEX-UHFFFAOYSA-N 0 0 230.227 2.316 20 5 BEBDRN Cc1cnc(Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC001174475859 976791536 /nfs/dbraw/zinc/79/15/36/976791536.db2.gz OMTBQBCIGFETQD-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cccnn2)cc1 ZINC001174475965 976792583 /nfs/dbraw/zinc/79/25/83/976792583.db2.gz UUOHNMRLDXNPSK-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN Cn1nccc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174475900 976794704 /nfs/dbraw/zinc/79/47/04/976794704.db2.gz RCCROVCYPYFEQC-UHFFFAOYSA-N 0 0 218.216 2.072 20 5 BEBDRN Cc1ccnnc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174477611 976796526 /nfs/dbraw/zinc/79/65/26/976796526.db2.gz QOGKMIDNPZSDCV-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1OC1COC1 ZINC001229375969 976851269 /nfs/dbraw/zinc/85/12/69/976851269.db2.gz CGVGAKFNDOCDPU-UHFFFAOYSA-N 0 0 229.619 2.026 20 5 BEBDRN CCOC[C@H](C)Oc1cc([N+](=O)[O-])ccc1O ZINC001229395081 976857020 /nfs/dbraw/zinc/85/70/20/976857020.db2.gz FCMRBCGTHAFLRN-QMMMGPOBSA-N 0 0 241.243 2.104 20 5 BEBDRN O=[N+]([O-])c1ccc(O)c(O[C@@H]2C=CCC2)c1 ZINC001229396448 976858046 /nfs/dbraw/zinc/85/80/46/976858046.db2.gz UJMNLBJEBHRXPE-SECBINFHSA-N 0 0 221.212 2.398 20 5 BEBDRN C[C@H](Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1)C1CC1 ZINC001230225629 977132411 /nfs/dbraw/zinc/13/24/11/977132411.db2.gz WYKKNYYUIPUADB-LURJTMIESA-N 0 0 248.242 2.043 20 5 BEBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1OC1CCC1 ZINC001230312987 977173782 /nfs/dbraw/zinc/17/37/82/977173782.db2.gz RISCRHYVJFWEEJ-UHFFFAOYSA-N 0 0 238.199 2.434 20 5 BEBDRN C[C@@H](Oc1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC001231183449 977536817 /nfs/dbraw/zinc/53/68/17/977536817.db2.gz URDISOGBGNHMAE-SECBINFHSA-N 0 0 247.254 2.468 20 5 BEBDRN C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1(C)CC1 ZINC001336203907 977564991 /nfs/dbraw/zinc/56/49/91/977564991.db2.gz USGSOLGXIVAZEL-SECBINFHSA-N 0 0 242.319 2.127 20 5 BEBDRN Cc1cc(NC(=O)[C@@H]2C[C@H]2C)cc([N+](=O)[O-])c1 ZINC001337878639 978548254 /nfs/dbraw/zinc/54/82/54/978548254.db2.gz JWDBTLGNUWLYCW-LDYMZIIASA-N 0 0 234.255 2.498 20 5 BEBDRN CC[C@@H](F)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001338301538 978657696 /nfs/dbraw/zinc/65/76/96/978657696.db2.gz QATVEQSTGREGFU-SSDOTTSWSA-N 0 0 244.197 2.421 20 5 BEBDRN O=[N+]([O-])c1cc(O[C@@H]2C=CCCC2)ccn1 ZINC001233857616 978714669 /nfs/dbraw/zinc/71/46/69/978714669.db2.gz NCWNBTRSECHRGC-SECBINFHSA-N 0 0 220.228 2.477 20 5 BEBDRN CC(C)[C@H](C)Oc1ccnc([N+](=O)[O-])c1 ZINC001233858046 978715771 /nfs/dbraw/zinc/71/57/71/978715771.db2.gz RFBYLHUURPGSHY-QMMMGPOBSA-N 0 0 210.233 2.413 20 5 BEBDRN CC[C@H](C)Oc1nc(OC)ccc1[N+](=O)[O-] ZINC001234878610 978923746 /nfs/dbraw/zinc/92/37/46/978923746.db2.gz IFYYQWUQKBVHID-ZETCQYMHSA-N 0 0 226.232 2.176 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(OC2CC=CC2)n1 ZINC001234877941 978924332 /nfs/dbraw/zinc/92/43/32/978924332.db2.gz FILIRWKWACEFEC-UHFFFAOYSA-N 0 0 236.227 2.096 20 5 BEBDRN Cc1cncc(Nc2ccc([N+](=O)[O-])nc2)c1 ZINC001203561162 979789161 /nfs/dbraw/zinc/78/91/61/979789161.db2.gz URAMEPKWCKYYMB-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ncc(Nc2ccc([N+](=O)[O-])nc2)nc1C ZINC001203569108 979836668 /nfs/dbraw/zinc/83/66/68/979836668.db2.gz RTFZERDIPPYMEA-UHFFFAOYSA-N 0 0 245.242 2.140 20 5 BEBDRN CON(C)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001184491037 980084234 /nfs/dbraw/zinc/08/42/34/980084234.db2.gz HLSDZJCWVYCWME-UHFFFAOYSA-N 0 0 233.227 2.141 20 5 BEBDRN Cc1cncnc1NCc1ccc([N+](=O)[O-])cc1 ZINC001184964774 980153851 /nfs/dbraw/zinc/15/38/51/980153851.db2.gz BAYVOTUCKPISQV-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C[C@H]1CC=CCC1 ZINC001344404960 980390168 /nfs/dbraw/zinc/39/01/68/980390168.db2.gz XVAWHIMIMSWEHX-QWRGUYRKSA-N 0 0 241.287 2.331 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC=CCCC1 ZINC001344843624 980481537 /nfs/dbraw/zinc/48/15/37/980481537.db2.gz UKWBRTVORKYGLB-GHMZBOCLSA-N 0 0 241.287 2.331 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC=CCCC1 ZINC001344843628 980482564 /nfs/dbraw/zinc/48/25/64/980482564.db2.gz UKWBRTVORKYGLB-QWRGUYRKSA-N 0 0 241.287 2.331 20 5 BEBDRN Cc1nc(N[C@@H]2C[C@H]2[C@@H]2C[C@H]2C)ncc1[N+](=O)[O-] ZINC001187654621 980536479 /nfs/dbraw/zinc/53/64/79/980536479.db2.gz KZALRFQGUJXBEM-SFKDOBOXSA-N 0 0 248.286 2.150 20 5 BEBDRN O=[N+]([O-])c1ncccc1OCc1ccns1 ZINC001188128241 980598384 /nfs/dbraw/zinc/59/83/84/980598384.db2.gz DOHKCBSUGUAZLV-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(F)s1 ZINC001345689892 980670419 /nfs/dbraw/zinc/67/04/19/980670419.db2.gz QXVPOSBLLQQEOV-ZCFIWIBFSA-N 0 0 247.247 2.099 20 5 BEBDRN CC(C)(COC(=O)[C@@H]1CCC[C@H](F)C1)[N+](=O)[O-] ZINC001346350877 980817793 /nfs/dbraw/zinc/81/77/93/980817793.db2.gz UQVXIWIAJLANSF-BDAKNGLRSA-N 0 0 247.266 2.113 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CC1CCCC1 ZINC001347429677 981076349 /nfs/dbraw/zinc/07/63/49/981076349.db2.gz FZQLJESGRMYYID-SNVBAGLBSA-N 0 0 229.276 2.165 20 5 BEBDRN CCCCCC(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001347431344 981078100 /nfs/dbraw/zinc/07/81/00/981078100.db2.gz YAIFVIZGNXYMAC-SECBINFHSA-N 0 0 217.265 2.165 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCCO2)c2ccccc21 ZINC001350006310 981842606 /nfs/dbraw/zinc/84/26/06/981842606.db2.gz DYMKZNQCRHBODJ-UHFFFAOYSA-N 0 0 245.238 2.285 20 5 BEBDRN Cc1cc(NC(=O)NCC2CC2)cc([N+](=O)[O-])c1 ZINC001350262687 981903667 /nfs/dbraw/zinc/90/36/67/981903667.db2.gz RGDVSSQOSCIYFE-UHFFFAOYSA-N 0 0 249.270 2.435 20 5 BEBDRN CC[C@H](COC)Nc1ncc([N+](=O)[O-])cc1C ZINC000079745130 982064992 /nfs/dbraw/zinc/06/49/92/982064992.db2.gz QBOPEOGZDIZBND-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN C[C@H](O)CO[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001205786294 982486579 /nfs/dbraw/zinc/48/65/79/982486579.db2.gz MPLBAKGSTFPTMJ-IUCAKERBSA-N 0 0 225.244 2.053 20 5 BEBDRN C[C@@H](O)CO[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001205786292 982487523 /nfs/dbraw/zinc/48/75/23/982487523.db2.gz MPLBAKGSTFPTMJ-BDAKNGLRSA-N 0 0 225.244 2.053 20 5 BEBDRN Cc1nccc(Nc2cc(O)cc([N+](=O)[O-])c2)n1 ZINC001199802790 983021549 /nfs/dbraw/zinc/02/15/49/983021549.db2.gz YKZOHADVUZKROQ-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN CCC[C@@H](C)N(C)c1cc(N)c([N+](=O)[O-])cn1 ZINC001354069551 983136473 /nfs/dbraw/zinc/13/64/73/983136473.db2.gz FPMYFUNBQWGBOO-MRVPVSSYSA-N 0 0 238.291 2.197 20 5 BEBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1C[C@H]1F ZINC001354121486 983162411 /nfs/dbraw/zinc/16/24/11/983162411.db2.gz YNINEVAWKQKVOE-POYBYMJQSA-N 0 0 242.181 2.030 20 5 BEBDRN Cc1nnc(-c2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC001253383027 984135256 /nfs/dbraw/zinc/13/52/56/984135256.db2.gz UDQWESVWUCKICA-UHFFFAOYSA-N 0 0 244.210 2.435 20 5 BEBDRN O=[N+]([O-])c1ccc(NC/C=C/CO)c(Cl)c1 ZINC000717444808 984285904 /nfs/dbraw/zinc/28/59/04/984285904.db2.gz BIIGKEVVNIKLCD-OWOJBTEDSA-N 0 0 242.662 2.209 20 5 BEBDRN O=[N+]([O-])c1ccc(NC/C=C\CO)c(Cl)c1 ZINC000717444809 984286772 /nfs/dbraw/zinc/28/67/72/984286772.db2.gz BIIGKEVVNIKLCD-UPHRSURJSA-N 0 0 242.662 2.209 20 5 BEBDRN C=C/C=C\CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC001438977281 984378174 /nfs/dbraw/zinc/37/81/74/984378174.db2.gz XAQASECSUYHCJM-ARJAWSKDSA-N 0 0 236.227 2.050 20 5 BEBDRN C[C@H]1C[C@@H]1c1nnc(-c2cccnc2[N+](=O)[O-])o1 ZINC001256720108 984606159 /nfs/dbraw/zinc/60/61/59/984606159.db2.gz XHRADANNYKOYAM-XPUUQOCRSA-N 0 0 246.226 2.163 20 5 BEBDRN Cc1cc(Cn2nccc2[N+](=O)[O-])cs1 ZINC001458920055 985361289 /nfs/dbraw/zinc/36/12/89/985361289.db2.gz KTPMKEWXHVYDEC-UHFFFAOYSA-N 0 0 223.257 2.210 20 5 BEBDRN O=[N+]([O-])c1sccc1OC[C@H]1CCCOC1 ZINC001459089208 985385045 /nfs/dbraw/zinc/38/50/45/985385045.db2.gz RWEJNZCDXYMLRH-QMMMGPOBSA-N 0 0 243.284 2.462 20 5 BEBDRN CCn1cc([N+](=O)[O-])c(-c2ccc(F)cn2)n1 ZINC001459100289 985386234 /nfs/dbraw/zinc/38/62/34/985386234.db2.gz OXRWDUBAEKBIRF-UHFFFAOYSA-N 0 0 236.206 2.012 20 5 BEBDRN C[C@@H]1COC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000688004587 985491874 /nfs/dbraw/zinc/49/18/74/985491874.db2.gz IFTBFYZJTJIEFU-SCZZXKLOSA-N 0 0 222.244 2.042 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2COC[C@@H]2C)c1 ZINC000688044440 985517424 /nfs/dbraw/zinc/51/74/24/985517424.db2.gz ADNAGIOEEPLTHY-ONGXEEELSA-N 0 0 236.271 2.350 20 5 BEBDRN C[C@@H]1C[C@@H]1c1nnc(-c2ccc([N+](=O)[O-])cn2)o1 ZINC001256710277 987271673 /nfs/dbraw/zinc/27/16/73/987271673.db2.gz SWBOCGLXSVQVAU-SVRRBLITSA-N 0 0 246.226 2.163 20 5 BEBDRN C[C@@H]1C[C@@H]1c1nnc(-c2ccnc([N+](=O)[O-])c2)o1 ZINC001256719049 987279667 /nfs/dbraw/zinc/27/96/67/987279667.db2.gz SRKLTGNFFLVNOT-SVRRBLITSA-N 0 0 246.226 2.163 20 5 BEBDRN C[C@H]1C[C@@H]1c1nnc(-c2ccnc([N+](=O)[O-])c2)o1 ZINC001256719051 987280653 /nfs/dbraw/zinc/28/06/53/987280653.db2.gz SRKLTGNFFLVNOT-XPUUQOCRSA-N 0 0 246.226 2.163 20 5 BEBDRN O=[N+]([O-])c1nccn1Cc1ccc(Cl)cc1 ZINC001473074223 987327071 /nfs/dbraw/zinc/32/70/71/987327071.db2.gz QQDSNUHJFIDJLX-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN C[C@@H]1CC[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000695468475 987331366 /nfs/dbraw/zinc/33/13/66/987331366.db2.gz NKVKWRQUYYMCEQ-SFYZADRCSA-N 0 0 237.259 2.296 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C=CCC1 ZINC000698268757 987371126 /nfs/dbraw/zinc/37/11/26/987371126.db2.gz XLMAXXQZPJAUCK-SECBINFHSA-N 0 0 219.244 2.429 20 5 BEBDRN Cc1nnc(/C=C\c2ccc([N+](=O)[O-])cc2)o1 ZINC001323851880 988636147 /nfs/dbraw/zinc/63/61/47/988636147.db2.gz SULSSBUNWNDHON-DAXSKMNVSA-N 0 0 231.211 2.457 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CCCCC1 ZINC001324312484 988792541 /nfs/dbraw/zinc/79/25/41/988792541.db2.gz GNDVRWSSQAJKON-UHFFFAOYSA-N 0 0 221.260 2.289 20 5 BEBDRN CC[C@H](F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001515537331 989061011 /nfs/dbraw/zinc/06/10/11/989061011.db2.gz IZXUUOLYPFPJAZ-VIFPVBQESA-N 0 0 226.207 2.281 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1ccon1 ZINC001248745350 989140399 /nfs/dbraw/zinc/14/03/99/989140399.db2.gz FCWPZKCUFJIXOU-UHFFFAOYSA-N 0 0 220.188 2.030 20 5 BEBDRN Cc1nccc(Nc2cc([N+](=O)[O-])cnc2C)n1 ZINC001248745004 989142165 /nfs/dbraw/zinc/14/21/65/989142165.db2.gz BIMZVTFKHXGAHT-UHFFFAOYSA-N 0 0 245.242 2.140 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC12CCCC2 ZINC001517192516 989207485 /nfs/dbraw/zinc/20/74/85/989207485.db2.gz HSHASRSNMIIVOS-ZJUUUORDSA-N 0 0 241.287 2.165 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C1(C)CCCC1 ZINC001517194637 989207602 /nfs/dbraw/zinc/20/76/02/989207602.db2.gz VZXMKAIJMTUYLF-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN Cc1cnn(C)c1Nc1cc([N+](=O)[O-])cnc1C ZINC001249545050 989306987 /nfs/dbraw/zinc/30/69/87/989306987.db2.gz BSSABEKRTCNOLO-UHFFFAOYSA-N 0 0 247.258 2.084 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@H]1C=CCCC1 ZINC001520098948 989506758 /nfs/dbraw/zinc/50/67/58/989506758.db2.gz BFTNBTPLTYOHMT-WDEREUQCSA-N 0 0 241.287 2.331 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CCC(C)C ZINC001520099333 989508855 /nfs/dbraw/zinc/50/88/55/989508855.db2.gz LDKLICMGYQGFAT-SECBINFHSA-N 0 0 217.265 2.021 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)CCCCSC ZINC001526648447 990163735 /nfs/dbraw/zinc/16/37/35/990163735.db2.gz FPDAUZOBOFAONQ-VIFPVBQESA-N 0 0 249.332 2.118 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001526649385 990165176 /nfs/dbraw/zinc/16/51/76/990165176.db2.gz PEBHIGCJBDDOOD-UKKRHICBSA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)CC(C)C ZINC001123355551 990549216 /nfs/dbraw/zinc/54/92/16/990549216.db2.gz RYJNSUPXBCAVEJ-UWVGGRQHSA-N 0 0 231.292 2.267 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC[C@@H]1CC ZINC001123355254 990557822 /nfs/dbraw/zinc/55/78/22/990557822.db2.gz NWOBOEGOSZGDQK-AXFHLTTASA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC(C)(C)C1 ZINC001123355117 990558572 /nfs/dbraw/zinc/55/85/72/990558572.db2.gz MEUNLBGYLMTCBU-VHSXEESVSA-N 0 0 243.303 2.411 20 5 BEBDRN O=[N+]([O-])c1sccc1OCCCF ZINC001559414040 991099122 /nfs/dbraw/zinc/09/91/22/991099122.db2.gz MCDLSSQTSAFADT-UHFFFAOYSA-N 0 0 205.210 2.395 20 5 BEBDRN CNC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001311333097 991325641 /nfs/dbraw/zinc/32/56/41/991325641.db2.gz YGYUIENSTGFJLI-UHFFFAOYSA-N 0 0 245.238 2.499 20 5 BEBDRN Cc1c(OC(=O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC001561147664 991715757 /nfs/dbraw/zinc/71/57/57/991715757.db2.gz JPMOQEQNEYEUEX-UHFFFAOYSA-N 0 0 249.144 2.371 20 5 BEBDRN C/C=C/C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001262199996 992791637 /nfs/dbraw/zinc/79/16/37/992791637.db2.gz HSPFMYXVKGYNJX-NWALNABHSA-N 0 0 234.255 2.348 20 5 BEBDRN O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC001262252541 992820222 /nfs/dbraw/zinc/82/02/22/992820222.db2.gz UVUITLVCGJEMPC-MYSGNRETSA-N 0 0 246.310 2.441 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC(F)(F)C2)cc1 ZINC001262737751 993057498 /nfs/dbraw/zinc/05/74/98/993057498.db2.gz NSAYILLJYVSVGS-UHFFFAOYSA-N 0 0 214.171 2.050 20 5 BEBDRN C=CC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001336679955 995075731 /nfs/dbraw/zinc/07/57/31/995075731.db2.gz BIQYDBSSMYEPJB-SECBINFHSA-N 0 0 234.255 2.001 20 5 BEBDRN C=CC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001336679961 995077919 /nfs/dbraw/zinc/07/79/19/995077919.db2.gz BIQYDBSSMYEPJB-VIFPVBQESA-N 0 0 234.255 2.001 20 5 BEBDRN O=c1ccn(CCC(F)=C(F)F)cc1[N+](=O)[O-] ZINC001307307489 995312311 /nfs/dbraw/zinc/31/23/11/995312311.db2.gz ANDXXTMKIMACLE-UHFFFAOYSA-N 0 0 248.160 2.224 20 5 BEBDRN CC(=O)OCSc1cccc([N+](=O)[O-])c1 ZINC001307341998 995328597 /nfs/dbraw/zinc/32/85/97/995328597.db2.gz NZPUMGOEZZBJIR-UHFFFAOYSA-N 0 0 227.241 2.208 20 5 BEBDRN C=C=CCNc1nc(C)ccc1[N+](=O)[O-] ZINC001612428433 1170458034 /nfs/dbraw/zinc/45/80/34/1170458034.db2.gz DGLWANUKTFKLDW-UHFFFAOYSA-N 0 0 205.217 2.051 20 5 BEBDRN Cn1cc(Nc2cc(F)cc([N+](=O)[O-])c2)cn1 ZINC000037666606 1170964452 /nfs/dbraw/zinc/96/44/52/1170964452.db2.gz SATFSUFJFGTECS-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN CC(=O)[C@H](C)Oc1ccc(F)cc1[N+](=O)[O-] ZINC000052065596 1171936999 /nfs/dbraw/zinc/93/69/99/1171936999.db2.gz VVZCTLLRRYRINN-ZETCQYMHSA-N 0 0 227.191 2.090 20 5 BEBDRN CC[C@@H](Nc1ccc(C)cc1[N+](=O)[O-])[C@H](C)O ZINC000395350219 262786891 /nfs/dbraw/zinc/78/68/91/262786891.db2.gz HBUMDKLFCCTKFZ-VHSXEESVSA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1cc(CNCc2ccc([N+](=O)[O-])cc2)no1 ZINC000044692480 178027738 /nfs/dbraw/zinc/02/77/38/178027738.db2.gz ICVVCZZWCYSPHU-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN Cc1cc(CNc2ccc([N+](=O)[O-])c(C)n2)on1 ZINC000133631740 178043646 /nfs/dbraw/zinc/04/36/46/178043646.db2.gz PPNCYFSQJHMPDL-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1cc(N(C)CC(C)(C)O)ccc1[N+](=O)[O-] ZINC000092970197 178096835 /nfs/dbraw/zinc/09/68/35/178096835.db2.gz YWLDNNGOQFLYLT-UHFFFAOYSA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1cc(N2CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000173917079 178113875 /nfs/dbraw/zinc/11/38/75/178113875.db2.gz BFHAHLSDRMUOIH-VIFPVBQESA-N 0 0 221.260 2.287 20 5 BEBDRN Cc1cc(N2CC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000266841223 178119743 /nfs/dbraw/zinc/11/97/43/178119743.db2.gz MIJYCFPKSXIEJY-QMMMGPOBSA-N 0 0 221.260 2.144 20 5 BEBDRN Cc1cc(NC(=O)N[C@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000153785391 178141985 /nfs/dbraw/zinc/14/19/85/178141985.db2.gz XWEMHXBMNSJPQY-XCBNKYQSSA-N 0 0 249.270 2.433 20 5 BEBDRN Cc1cc(NC[C@@H](C)CO)c(F)cc1[N+](=O)[O-] ZINC000310182021 178165599 /nfs/dbraw/zinc/16/55/99/178165599.db2.gz XLQMVPIJOHCLJU-SSDOTTSWSA-N 0 0 242.250 2.083 20 5 BEBDRN Cc1cc(NC(C)(C)CO)ccc1[N+](=O)[O-] ZINC000011688955 178153234 /nfs/dbraw/zinc/15/32/34/178153234.db2.gz RDHMAJDGIBUABV-UHFFFAOYSA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cc(NCCC[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000227995906 178159517 /nfs/dbraw/zinc/15/95/17/178159517.db2.gz JBOUZWKNDGKFLK-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)ncc1[N+](=O)[O-] ZINC000158699218 178183974 /nfs/dbraw/zinc/18/39/74/178183974.db2.gz MNNGXWPDQGBDOY-KKZNHRDASA-N 0 0 249.270 2.030 20 5 BEBDRN Cc1cc(N[C@H](C)c2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000226500329 178187326 /nfs/dbraw/zinc/18/73/26/178187326.db2.gz JMMHRLHLKLJCHM-MRVPVSSYSA-N 0 0 247.258 2.194 20 5 BEBDRN Cc1cc(O[C@H](C)[C@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000123650060 178214815 /nfs/dbraw/zinc/21/48/15/178214815.db2.gz YGJAORBQOFTGHU-JGVFFNPUSA-N 0 0 243.234 2.190 20 5 BEBDRN Cc1cc(OCCC[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000336730677 178211615 /nfs/dbraw/zinc/21/16/15/178211615.db2.gz YGFWZLDTBNKYLJ-SNVBAGLBSA-N 0 0 239.271 2.443 20 5 BEBDRN CS[C@@H](C)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000075875565 398230228 /nfs/dbraw/zinc/23/02/28/398230228.db2.gz CORXPISPDWVQPI-ZETCQYMHSA-N 0 0 241.268 2.252 20 5 BEBDRN CCC(CC)CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000355240844 168358900 /nfs/dbraw/zinc/35/89/00/168358900.db2.gz SFFBEGOFKNJDJU-UHFFFAOYSA-N 0 0 239.275 2.089 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N(C)CC(C)C ZINC000264490082 178274104 /nfs/dbraw/zinc/27/41/04/178274104.db2.gz SJQMNGTVWSZWSD-UHFFFAOYSA-N 0 0 223.276 2.390 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]1C ZINC000172810958 178274623 /nfs/dbraw/zinc/27/46/23/178274623.db2.gz WWDISCVSSMOUSG-VIFPVBQESA-N 0 0 221.260 2.287 20 5 BEBDRN Cn1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000335749747 398238791 /nfs/dbraw/zinc/23/87/91/398238791.db2.gz AWQDLDGSVXJYAE-UHFFFAOYSA-N 0 0 245.238 2.186 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn(CC2(C)CCC2)c1=O ZINC000283009881 178274224 /nfs/dbraw/zinc/27/42/24/178274224.db2.gz LJORKVBSRWCEFM-UHFFFAOYSA-N 0 0 236.271 2.255 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC1CC1 ZINC000174661887 178271586 /nfs/dbraw/zinc/27/15/86/178271586.db2.gz IXLOQLVHJASVBB-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCCC[C@H](C)O ZINC000227994889 178272498 /nfs/dbraw/zinc/27/24/98/178272498.db2.gz VPLOWUIGBCAJQD-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCCC[C@@H](C)O ZINC000227994877 178272802 /nfs/dbraw/zinc/27/28/02/178272802.db2.gz VPLOWUIGBCAJQD-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)CCCO ZINC000088503660 178273233 /nfs/dbraw/zinc/27/32/33/178273233.db2.gz XBZJOWNJCFDNMX-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN CCC(CC)CNc1c([N+](=O)[O-])c(C)nn1C ZINC000134375587 168364913 /nfs/dbraw/zinc/36/49/13/168364913.db2.gz DLVZDCXFGVSEJN-UHFFFAOYSA-N 0 0 240.307 2.485 20 5 BEBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC2 ZINC000421444763 192340015 /nfs/dbraw/zinc/34/00/15/192340015.db2.gz JTGPNLSGHQYVGB-LLVKDONJSA-N 0 0 246.266 2.011 20 5 BEBDRN C[C@@H]1C[C@@H](C)N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000335258136 343996195 /nfs/dbraw/zinc/99/61/95/343996195.db2.gz CNJZQESKJDCXQY-RKDXNWHRSA-N 0 0 234.255 2.218 20 5 BEBDRN CCc1nnc(COc2cccc([N+](=O)[O-])c2)o1 ZINC000074339488 344003443 /nfs/dbraw/zinc/00/34/43/344003443.db2.gz SSXPPPIKWRXJOX-UHFFFAOYSA-N 0 0 249.226 2.119 20 5 BEBDRN CC(C)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000274011083 398296191 /nfs/dbraw/zinc/29/61/91/398296191.db2.gz SAIGNFCYLZPTRL-UHFFFAOYSA-N 0 0 248.242 2.087 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cocn1 ZINC000609159758 342863622 /nfs/dbraw/zinc/86/36/22/342863622.db2.gz UXYFFXZXUGNIFN-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN CCN(CC(C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000045506429 342866881 /nfs/dbraw/zinc/86/68/81/342866881.db2.gz QQQLTNSJNGVXIX-UHFFFAOYSA-N 0 0 239.275 2.041 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1N[C@H]1CCOC1 ZINC000087787940 398305679 /nfs/dbraw/zinc/30/56/79/398305679.db2.gz SZJNZYNUQNRYKJ-ZETCQYMHSA-N 0 0 242.662 2.449 20 5 BEBDRN Cc1occc1CNc1ncc([N+](=O)[O-])cc1C ZINC000609383705 342874949 /nfs/dbraw/zinc/87/49/49/342874949.db2.gz MKSLYDDCSBIAEI-UHFFFAOYSA-N 0 0 247.254 2.234 20 5 BEBDRN CC[C@H](C)CN(C)c1cccnc1[N+](=O)[O-] ZINC000609512701 342881171 /nfs/dbraw/zinc/88/11/71/342881171.db2.gz APACZKZXOIVMLO-VIFPVBQESA-N 0 0 223.276 2.472 20 5 BEBDRN CC1=CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000339221655 398332406 /nfs/dbraw/zinc/33/24/06/398332406.db2.gz HZJUZRKUIWZXBN-UHFFFAOYSA-N 0 0 219.244 2.146 20 5 BEBDRN CC(C)=CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302726329 187207517 /nfs/dbraw/zinc/20/75/17/187207517.db2.gz PDWXYKGPEKJNML-UHFFFAOYSA-N 0 0 247.258 2.016 20 5 BEBDRN CC(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000169402199 323031448 /nfs/dbraw/zinc/03/14/48/323031448.db2.gz DRJKHKGEJRHKGE-UHFFFAOYSA-N 0 0 237.259 2.374 20 5 BEBDRN Cc1c(Oc2ncccn2)cccc1[N+](=O)[O-] ZINC000067447699 362030360 /nfs/dbraw/zinc/03/03/60/362030360.db2.gz OBDJCPNRTVFAHK-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN C[C@H](O)C[C@H](C)CNc1ccsc1[N+](=O)[O-] ZINC000309920058 343094187 /nfs/dbraw/zinc/09/41/87/343094187.db2.gz RMTSIZVXYXXQMC-YUMQZZPRSA-N 0 0 244.316 2.475 20 5 BEBDRN O=[N+]([O-])c1ccsc1NC[C@@H]1CCCOC1 ZINC000310008798 343146446 /nfs/dbraw/zinc/14/64/46/343146446.db2.gz HWVUEHXNIIELKH-QMMMGPOBSA-N 0 0 242.300 2.495 20 5 BEBDRN CC[C@H](C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000421582706 192357388 /nfs/dbraw/zinc/35/73/88/192357388.db2.gz VGIJQBJKUJDDRQ-VIFPVBQESA-N 0 0 236.271 2.371 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H]1C ZINC000335807843 344028842 /nfs/dbraw/zinc/02/88/42/344028842.db2.gz LZERZMBNMQXJHP-SKDRFNHKSA-N 0 0 248.282 2.432 20 5 BEBDRN CC(C)C[C@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310508835 343519580 /nfs/dbraw/zinc/51/95/80/343519580.db2.gz LEFFHQRCWWPCEO-QMMMGPOBSA-N 0 0 238.291 2.419 20 5 BEBDRN C[C@@H]1C[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000047098272 343557578 /nfs/dbraw/zinc/55/75/78/343557578.db2.gz CHDNGJHLRJGZRV-RKDXNWHRSA-N 0 0 249.270 2.372 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1CC1 ZINC000049376128 343596784 /nfs/dbraw/zinc/59/67/84/343596784.db2.gz BDZIVUUOBPCCPK-VIFPVBQESA-N 0 0 248.282 2.432 20 5 BEBDRN CC[C@H](CNc1ccsc1[N+](=O)[O-])OC ZINC000309066771 349825565 /nfs/dbraw/zinc/82/55/65/349825565.db2.gz ZXRXMQGOCMMWFC-SSDOTTSWSA-N 0 0 230.289 2.493 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000379947063 343659151 /nfs/dbraw/zinc/65/91/51/343659151.db2.gz RFRGYTJFGZBUJU-UQWHLADISA-N 0 0 225.273 2.262 20 5 BEBDRN C[C@@H]1C[C@H](C)CN1c1ccc([N+](=O)[O-])nc1 ZINC000610133686 343663446 /nfs/dbraw/zinc/66/34/46/343663446.db2.gz LRGDKRLCFDENKZ-DTWKUNHWSA-N 0 0 221.260 2.225 20 5 BEBDRN C[C@@H]1C[C@H](C)N(c2ccc([N+](=O)[O-])nc2)C1 ZINC000610133685 343663489 /nfs/dbraw/zinc/66/34/89/343663489.db2.gz LRGDKRLCFDENKZ-BDAKNGLRSA-N 0 0 221.260 2.225 20 5 BEBDRN CCCN1CCc2c1cccc2[N+](=O)[O-] ZINC000178951528 346968880 /nfs/dbraw/zinc/96/88/80/346968880.db2.gz JXTONCLHHCJWBN-UHFFFAOYSA-N 0 0 206.245 2.367 20 5 BEBDRN CS[C@@H](C)CNc1cccnc1[N+](=O)[O-] ZINC000159240860 349868438 /nfs/dbraw/zinc/86/84/38/349868438.db2.gz PTBIJNGEMGFMQY-ZETCQYMHSA-N 0 0 227.289 2.153 20 5 BEBDRN Cc1nccn1Cc1csc([N+](=O)[O-])c1 ZINC000334179103 343830374 /nfs/dbraw/zinc/83/03/74/343830374.db2.gz CVDNUCJWMFPMJV-UHFFFAOYSA-N 0 0 223.257 2.210 20 5 BEBDRN Cc1c(C(=O)N[C@@H]2CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000334237742 343840856 /nfs/dbraw/zinc/84/08/56/343840856.db2.gz SEZVFXQFYLVSCG-LDYMZIIASA-N 0 0 248.282 2.432 20 5 BEBDRN CC1(C)C[C@H]1Nc1cccnc1[N+](=O)[O-] ZINC000156959582 343878976 /nfs/dbraw/zinc/87/89/76/343878976.db2.gz XIVUEGXUSOQPON-MRVPVSSYSA-N 0 0 207.233 2.200 20 5 BEBDRN O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccco3)no2)c1 ZINC000340657095 187353798 /nfs/dbraw/zinc/35/37/98/187353798.db2.gz HEILNKUNPMPBLX-UHFFFAOYSA-N 0 0 246.182 2.233 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC(CF)C1 ZINC000334577182 343893456 /nfs/dbraw/zinc/89/34/56/343893456.db2.gz BIXUOAVZJJHHEE-UHFFFAOYSA-N 0 0 210.208 2.001 20 5 BEBDRN CCOCCOc1cc([N+](=O)[O-])ccc1C ZINC000060430028 343936050 /nfs/dbraw/zinc/93/60/50/343936050.db2.gz CGCUCGPWHZIKLH-UHFFFAOYSA-N 0 0 225.244 2.319 20 5 BEBDRN CC1(C)CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610282659 343939818 /nfs/dbraw/zinc/93/98/18/343939818.db2.gz FPVYHDCBQVTJIZ-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN C[C@@H]1CCN(c2cccnc2[N+](=O)[O-])[C@H]1C ZINC000610588344 343973467 /nfs/dbraw/zinc/97/34/67/343973467.db2.gz BLRXFDFAJFVXNN-BDAKNGLRSA-N 0 0 221.260 2.225 20 5 BEBDRN CC1(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000123636647 187356483 /nfs/dbraw/zinc/35/64/83/187356483.db2.gz MVTOUIUWMLFBLW-UHFFFAOYSA-N 0 0 234.255 2.011 20 5 BEBDRN COC[C@H](C)Sc1ccc([N+](=O)[O-])cn1 ZINC000160346550 323064861 /nfs/dbraw/zinc/06/48/61/323064861.db2.gz BPHZJEUDNQNKJA-ZETCQYMHSA-N 0 0 228.273 2.117 20 5 BEBDRN CC(C)(O)CCSc1ccncc1[N+](=O)[O-] ZINC000610510077 343965881 /nfs/dbraw/zinc/96/58/81/343965881.db2.gz PEZXJBBQCHTPPN-UHFFFAOYSA-N 0 0 242.300 2.243 20 5 BEBDRN CC[C@@H](O)CCNc1ccc([N+](=O)[O-])cc1 ZINC000127238802 344062443 /nfs/dbraw/zinc/06/24/43/344062443.db2.gz HGFZHGGNSJZXDX-LLVKDONJSA-N 0 0 224.260 2.168 20 5 BEBDRN CC(C)=CCSc1c([N+](=O)[O-])ncn1C ZINC000447688127 201732044 /nfs/dbraw/zinc/73/20/44/201732044.db2.gz FTFHBBDNEDBMNJ-UHFFFAOYSA-N 0 0 227.289 2.387 20 5 BEBDRN CC(=O)CSCc1csc([N+](=O)[O-])c1 ZINC000081273675 344140360 /nfs/dbraw/zinc/14/03/60/344140360.db2.gz ZWVNFWCMKNBPAB-UHFFFAOYSA-N 0 0 231.298 2.479 20 5 BEBDRN CC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000081350315 344141343 /nfs/dbraw/zinc/14/13/43/344141343.db2.gz GKHXXIRCSHWYDV-UHFFFAOYSA-N 0 0 248.282 2.467 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCc1ccc(F)cn1 ZINC000610786002 344154493 /nfs/dbraw/zinc/15/44/93/344154493.db2.gz NBWJHYPSISWWCF-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1Cc1cnoc1C1CC1 ZINC000611080188 344245774 /nfs/dbraw/zinc/24/57/74/344245774.db2.gz ARNGKXLOVWCJDW-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN C[C@H]1OCC[C@@H]1Sc1cccnc1[N+](=O)[O-] ZINC000611086044 344246760 /nfs/dbraw/zinc/24/67/60/344246760.db2.gz AAXLIRBAFWSIAF-SFYZADRCSA-N 0 0 240.284 2.259 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@@H](CO)CC1CC1 ZINC000611104513 344250126 /nfs/dbraw/zinc/25/01/26/344250126.db2.gz ZJUVBIBLLXHYIA-SNVBAGLBSA-N 0 0 236.271 2.168 20 5 BEBDRN CCC[C@@H](C)CCCn1cnc([N+](=O)[O-])n1 ZINC000600519352 344254143 /nfs/dbraw/zinc/25/41/43/344254143.db2.gz BVERDXKWTLDYTK-SECBINFHSA-N 0 0 226.280 2.403 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn(CSC(C)C)c1=O ZINC000600536906 344262633 /nfs/dbraw/zinc/26/26/33/344262633.db2.gz NUOMLDFCXKOTLB-UHFFFAOYSA-N 0 0 242.300 2.164 20 5 BEBDRN CCN(CC)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600883467 344387857 /nfs/dbraw/zinc/38/78/57/344387857.db2.gz LOMDIKWGYRGHIR-UHFFFAOYSA-N 0 0 240.234 2.216 20 5 BEBDRN C[C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])[C@@H]1C ZINC000601123991 344412980 /nfs/dbraw/zinc/41/29/80/344412980.db2.gz BADGKTZDCDQJFB-HTQZYQBOSA-N 0 0 239.250 2.364 20 5 BEBDRN O=[N+]([O-])c1ccc([O-])cc1CN1C[C@H]2CCC[C@H]21 ZINC000611271842 344445373 /nfs/dbraw/zinc/44/53/73/344445373.db2.gz FCGOPTJDNSGQLN-BXKDBHETSA-N 0 0 248.282 2.285 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]1C ZINC000603265116 344472878 /nfs/dbraw/zinc/47/28/78/344472878.db2.gz FYIRZNNAVVIVRF-VIFPVBQESA-N 0 0 234.255 2.138 20 5 BEBDRN C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000611377953 344495773 /nfs/dbraw/zinc/49/57/73/344495773.db2.gz ZSWIXJMTSFFQAD-WCABBAIRSA-N 0 0 248.282 2.428 20 5 BEBDRN CCOCCN(C)c1sccc1[N+](=O)[O-] ZINC000611414245 344536797 /nfs/dbraw/zinc/53/67/97/344536797.db2.gz LIKZQFVSIIXLFC-UHFFFAOYSA-N 0 0 230.289 2.129 20 5 BEBDRN C[C@@H]1CN(c2sccc2[N+](=O)[O-])CCCO1 ZINC000611412012 344561492 /nfs/dbraw/zinc/56/14/92/344561492.db2.gz CZEWAFILPCQGNG-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152447658 344565514 /nfs/dbraw/zinc/56/55/14/344565514.db2.gz ATOGHZSCCOKLNC-UHFFFAOYSA-N 0 0 234.255 2.106 20 5 BEBDRN Cc1coc(Sc2cccnc2[N+](=O)[O-])n1 ZINC000616390309 347056274 /nfs/dbraw/zinc/05/62/74/347056274.db2.gz PPEVTWKTKUTTAC-UHFFFAOYSA-N 0 0 237.240 2.437 20 5 BEBDRN CCC1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000296056352 168488342 /nfs/dbraw/zinc/48/83/42/168488342.db2.gz ZOEIOYDGECRIAB-UHFFFAOYSA-N 0 0 248.282 2.196 20 5 BEBDRN Cc1cnc(N2CCC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000611445231 344743005 /nfs/dbraw/zinc/74/30/05/344743005.db2.gz DKLUUCBVNHVRGJ-UHFFFAOYSA-N 0 0 243.213 2.144 20 5 BEBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@H]1F ZINC000611494064 344745967 /nfs/dbraw/zinc/74/59/67/344745967.db2.gz CFJSVNQXFMYHQR-WCBMZHEXSA-N 0 0 239.250 2.174 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H](O)c2ccco2)cc1 ZINC000075668629 344783857 /nfs/dbraw/zinc/78/38/57/344783857.db2.gz XYLGVYPBUCIABD-NSHDSACASA-N 0 0 248.238 2.333 20 5 BEBDRN CO[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000076291140 344800452 /nfs/dbraw/zinc/80/04/52/344800452.db2.gz RTTRUFAIXZUUHK-GFCCVEGCSA-N 0 0 236.271 2.210 20 5 BEBDRN C[C@@H]1CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709345 344805905 /nfs/dbraw/zinc/80/59/05/344805905.db2.gz PLDNNNHFLCIQED-MRVPVSSYSA-N 0 0 244.254 2.137 20 5 BEBDRN COCCN(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000077307725 344815872 /nfs/dbraw/zinc/81/58/72/344815872.db2.gz JCCMALRUSSEMRZ-UHFFFAOYSA-N 0 0 244.678 2.331 20 5 BEBDRN C[C@H](O)C[C@H](C)CNc1ccccc1[N+](=O)[O-] ZINC000077229073 344819297 /nfs/dbraw/zinc/81/92/97/344819297.db2.gz XHAJRFLSTQDCST-UWVGGRQHSA-N 0 0 238.287 2.414 20 5 BEBDRN Cc1ccc(NC[C@H](C)CCO)c([N+](=O)[O-])c1 ZINC000097442740 178761040 /nfs/dbraw/zinc/76/10/40/178761040.db2.gz XGKXIHXLAPHLIN-SNVBAGLBSA-N 0 0 238.287 2.334 20 5 BEBDRN CC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000048402576 187294176 /nfs/dbraw/zinc/29/41/76/187294176.db2.gz YUFKSKAHVDHANC-UHFFFAOYSA-N 0 0 229.619 2.216 20 5 BEBDRN Cc1ccc(N[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000070966521 178771880 /nfs/dbraw/zinc/77/18/80/178771880.db2.gz PREBGFAEOBVWTB-SECBINFHSA-N 0 0 222.244 2.104 20 5 BEBDRN Cn1cc([N+](=O)[O-])cc1-c1nc(C2CCC2)no1 ZINC000612897024 344931283 /nfs/dbraw/zinc/93/12/83/344931283.db2.gz GDEJVYDNBAELRP-UHFFFAOYSA-N 0 0 248.242 2.251 20 5 BEBDRN Cc1ccc(N[C@H](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000080647050 178775169 /nfs/dbraw/zinc/77/51/69/178775169.db2.gz YUTWYATUHKDGSJ-NXEZZACHSA-N 0 0 238.287 2.332 20 5 BEBDRN C[C@H]1OCC[C@@]1(C)Nc1ncc([N+](=O)[O-])s1 ZINC000235647327 344967187 /nfs/dbraw/zinc/96/71/87/344967187.db2.gz SITJEPSOCFNINQ-HZGVNTEJSA-N 0 0 243.288 2.031 20 5 BEBDRN CC1(F)CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000601246023 345035062 /nfs/dbraw/zinc/03/50/62/345035062.db2.gz KEICQPCDHKKPLN-UHFFFAOYSA-N 0 0 239.250 2.318 20 5 BEBDRN CC1CC(NC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000080041979 345083054 /nfs/dbraw/zinc/08/30/54/345083054.db2.gz XVXBIOSGYGMKPF-UHFFFAOYSA-N 0 0 240.284 2.185 20 5 BEBDRN CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000080271602 345136612 /nfs/dbraw/zinc/13/66/12/345136612.db2.gz XJSILLRHENIITO-UHFFFAOYSA-N 0 0 236.271 2.371 20 5 BEBDRN Cc1ccc(N2CCOC[C@H]2C)c([N+](=O)[O-])c1 ZINC000080553717 345295063 /nfs/dbraw/zinc/29/50/63/345295063.db2.gz UBQSVRNUFAPNBR-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1cc(N[C@H]2CC23CC3)ncc1[N+](=O)[O-] ZINC000425271208 192087556 /nfs/dbraw/zinc/08/75/56/192087556.db2.gz HRZKBRSMFKTWNV-VIFPVBQESA-N 0 0 219.244 2.263 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC12CC2 ZINC000425275667 192087851 /nfs/dbraw/zinc/08/78/51/192087851.db2.gz UCMLWCZQOZQBNY-QMMMGPOBSA-N 0 0 236.275 2.084 20 5 BEBDRN C[C@@H](CNc1ncccc1[N+](=O)[O-])C1CC1 ZINC000136190693 345486586 /nfs/dbraw/zinc/48/65/86/345486586.db2.gz KEELXMYIGXNNAG-QMMMGPOBSA-N 0 0 221.260 2.448 20 5 BEBDRN CC1(C)SC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000336728508 187308465 /nfs/dbraw/zinc/30/84/65/187308465.db2.gz CNYKYYFPQSPJFL-MRVPVSSYSA-N 0 0 239.300 2.296 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCc1ccoc1 ZINC000136092152 345822989 /nfs/dbraw/zinc/82/29/89/345822989.db2.gz PZVHZWWNHYDKOJ-UHFFFAOYSA-N 0 0 219.200 2.195 20 5 BEBDRN C[C@@H](NC(=O)[C@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000613580203 345810279 /nfs/dbraw/zinc/81/02/79/345810279.db2.gz ZSWIXJMTSFFQAD-NGZCFLSTSA-N 0 0 248.282 2.428 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@@H]2C)c1 ZINC000266039534 178928018 /nfs/dbraw/zinc/92/80/18/178928018.db2.gz GIZSWUCDJYFYTI-VHSXEESVSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)C)c1 ZINC000088147517 178928075 /nfs/dbraw/zinc/92/80/75/178928075.db2.gz DYZBBKFTTUMRNH-UHFFFAOYSA-N 0 0 222.244 2.041 20 5 BEBDRN C[C@H](O)CCCOc1ccccc1[N+](=O)[O-] ZINC000143175806 345893028 /nfs/dbraw/zinc/89/30/28/345893028.db2.gz VPZLRADPWASSRP-VIFPVBQESA-N 0 0 225.244 2.135 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CC23CC3)cn1 ZINC000418992621 192092361 /nfs/dbraw/zinc/09/23/61/192092361.db2.gz OCEYAQMPYGQFTH-MRVPVSSYSA-N 0 0 219.244 2.202 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(O[C@@H](C)[C@H](C)O)c1 ZINC000087138982 178930688 /nfs/dbraw/zinc/93/06/88/178930688.db2.gz PPRVELFVTCQGNO-IUCAKERBSA-N 0 0 225.244 2.051 20 5 BEBDRN CCCC[C@H](CC)Cn1cnc([N+](=O)[O-])n1 ZINC000077250503 535010892 /nfs/dbraw/zinc/01/08/92/535010892.db2.gz HVVGSHMZQRTNOV-VIFPVBQESA-N 0 0 226.280 2.403 20 5 BEBDRN C[C@H](CNc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000136192956 345957536 /nfs/dbraw/zinc/95/75/36/345957536.db2.gz RSZZVDKMFGMENM-MRVPVSSYSA-N 0 0 221.260 2.448 20 5 BEBDRN COCCCCN(C)c1ccccc1[N+](=O)[O-] ZINC000419026629 192095255 /nfs/dbraw/zinc/09/52/55/192095255.db2.gz UUOKUHYVGCCPMM-UHFFFAOYSA-N 0 0 238.287 2.458 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]2C[C@@H]21 ZINC000586898863 346166810 /nfs/dbraw/zinc/16/68/10/346166810.db2.gz QRAXYZQWFJJLHJ-PWSUYJOCSA-N 0 0 246.266 2.219 20 5 BEBDRN C[C@H]1C[C@@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401097079 346175589 /nfs/dbraw/zinc/17/55/89/346175589.db2.gz LPMAXBBULRHEKQ-NKWVEPMBSA-N 0 0 225.223 2.197 20 5 BEBDRN COCCSc1ccsc1[N+](=O)[O-] ZINC000601125135 346151210 /nfs/dbraw/zinc/15/12/10/346151210.db2.gz MONLCGMDCTYUAW-UHFFFAOYSA-N 0 0 219.287 2.395 20 5 BEBDRN CC1(C)CC(CNc2ccncc2[N+](=O)[O-])C1 ZINC000614832325 346213378 /nfs/dbraw/zinc/21/33/78/346213378.db2.gz QNLJXFHYLJUWFT-UHFFFAOYSA-N 0 0 235.287 2.260 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1NC1CC=CC1 ZINC000401100755 346196145 /nfs/dbraw/zinc/19/61/45/346196145.db2.gz NGXWOWRVTAJIEH-UHFFFAOYSA-N 0 0 223.207 2.259 20 5 BEBDRN O=[N+]([O-])c1ncccc1NC1CCSCC1 ZINC000136351294 346197671 /nfs/dbraw/zinc/19/76/71/346197671.db2.gz BCOLQHGFNHSYES-UHFFFAOYSA-N 0 0 239.300 2.297 20 5 BEBDRN Cc1cccc(C(=O)NC2CC(C)C2)c1[N+](=O)[O-] ZINC000267688313 179015068 /nfs/dbraw/zinc/01/50/68/179015068.db2.gz AEFJUHDJVZBZQX-UHFFFAOYSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1cccc(C(=O)N[C@@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000299093159 179021636 /nfs/dbraw/zinc/02/16/36/179021636.db2.gz USMHVSXSGCBITM-SNVBAGLBSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1cccc(CNc2c([N+](=O)[O-])ncn2C)c1 ZINC000030676635 179102321 /nfs/dbraw/zinc/10/23/21/179102321.db2.gz LNAGHSYRFKJLKG-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1nn(Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000181828084 179110109 /nfs/dbraw/zinc/11/01/09/179110109.db2.gz HRAVFXNXZCNPJF-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN C[C@@H](CO)CCCNc1ccc([N+](=O)[O-])s1 ZINC000309553491 347099828 /nfs/dbraw/zinc/09/98/28/347099828.db2.gz JALPICKSOTYGOZ-MRVPVSSYSA-N 0 0 244.316 2.477 20 5 BEBDRN Cc1cccc(N(C)CC[C@@H](C)O)c1[N+](=O)[O-] ZINC000218861006 179115037 /nfs/dbraw/zinc/11/50/37/179115037.db2.gz PYUOIBXJOCMKEA-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1nc(N2CCC[C@H]3C[C@H]32)ccc1[N+](=O)[O-] ZINC000588066478 346631316 /nfs/dbraw/zinc/63/13/16/346631316.db2.gz QFTHLCUTOZXNJQ-GXSJLCMTSA-N 0 0 233.271 2.287 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H]2C(F)F)s1 ZINC000588081299 346633112 /nfs/dbraw/zinc/63/31/12/346633112.db2.gz BFVPNCGCDSKOJA-RXMQYKEDSA-N 0 0 249.242 2.285 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](C(F)F)C2)cn1 ZINC000589600357 346718791 /nfs/dbraw/zinc/71/87/91/346718791.db2.gz XMSLCCBPIXPGBA-SSDOTTSWSA-N 0 0 243.213 2.081 20 5 BEBDRN Cc1cccc(N[C@@H](C)CCCO)c1[N+](=O)[O-] ZINC000218867363 179153455 /nfs/dbraw/zinc/15/34/55/179153455.db2.gz WDZGBGGXPIGFLT-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cccc(OCCn2cc([N+](=O)[O-])cn2)c1 ZINC000074061544 179169686 /nfs/dbraw/zinc/16/96/86/179169686.db2.gz OFFMACXDVOPXBW-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN Cc1cccc(OC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000330461385 179170679 /nfs/dbraw/zinc/17/06/79/179170679.db2.gz SAUINTXPHORGHM-SNVBAGLBSA-N 0 0 237.255 2.319 20 5 BEBDRN Cc1cccc(Oc2ncccn2)c1[N+](=O)[O-] ZINC000301850512 179176223 /nfs/dbraw/zinc/17/62/23/179176223.db2.gz PBVJDCCBMZCBFF-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N1C[C@@H](F)[C@@H](F)C1 ZINC000295091965 179205899 /nfs/dbraw/zinc/20/58/99/179205899.db2.gz ZJFOWDHAAOSYHO-DTORHVGOSA-N 0 0 242.225 2.399 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H]1C ZINC000332101451 179206337 /nfs/dbraw/zinc/20/63/37/179206337.db2.gz BKTFXRSINZUQBZ-ZJUUUORDSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCCc1cn[nH]c1 ZINC000291045994 179206671 /nfs/dbraw/zinc/20/66/71/179206671.db2.gz DATBKTSILTWIFA-UHFFFAOYSA-N 0 0 246.270 2.281 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@H]1C ZINC000332101448 179206876 /nfs/dbraw/zinc/20/68/76/179206876.db2.gz BKTFXRSINZUQBZ-NXEZZACHSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCc1ccn(C)n1 ZINC000212220600 179206911 /nfs/dbraw/zinc/20/69/11/179206911.db2.gz AINFXQFZCJNHAE-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@@H](C)CO ZINC000156654404 179207024 /nfs/dbraw/zinc/20/70/24/179207024.db2.gz PXMFPZKENMYETM-UWVGGRQHSA-N 0 0 238.287 2.332 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H]3CCC[C@H]32)cn1 ZINC000590698409 347492575 /nfs/dbraw/zinc/49/25/75/347492575.db2.gz MVZIIXTWCQLGQA-MWLCHTKSSA-N 0 0 233.271 2.369 20 5 BEBDRN CCC1(CNc2sccc2[N+](=O)[O-])COC1 ZINC000590725154 347495813 /nfs/dbraw/zinc/49/58/13/347495813.db2.gz TWLSRFYKXBKAGE-UHFFFAOYSA-N 0 0 242.300 2.495 20 5 BEBDRN CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1Cl ZINC000590569975 347469680 /nfs/dbraw/zinc/46/96/80/347469680.db2.gz SSDJJEGGHPAKGJ-UHFFFAOYSA-N 0 0 244.634 2.077 20 5 BEBDRN Cc1nc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)co1 ZINC000590597274 347479500 /nfs/dbraw/zinc/47/95/00/347479500.db2.gz KWKOBWXIMGKUFW-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN O=[N+]([O-])c1ncccc1NC[C@@H]1C[C@H]1C1CC1 ZINC000590737048 347501377 /nfs/dbraw/zinc/50/13/77/347501377.db2.gz XOLFMPKURBSFNZ-UWVGGRQHSA-N 0 0 233.271 2.448 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H]1C ZINC000194568417 347553493 /nfs/dbraw/zinc/55/34/93/347553493.db2.gz FUYSESOJVSQVLQ-RKDXNWHRSA-N 0 0 234.255 2.041 20 5 BEBDRN Cc1nnc(CNc2c(C)cccc2[N+](=O)[O-])o1 ZINC000591140139 347620116 /nfs/dbraw/zinc/62/01/16/347620116.db2.gz HDGYEQSKLVZTTA-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CN(CCC1CC1)c1ncc([N+](=O)[O-])cc1F ZINC000591151036 347624339 /nfs/dbraw/zinc/62/43/39/347624339.db2.gz WGZCRRHKVCXCPA-UHFFFAOYSA-N 0 0 239.250 2.365 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CCC[C@@H]2COC[C@@H]21 ZINC000591183178 347625619 /nfs/dbraw/zinc/62/56/19/347625619.db2.gz IKINRFOKCMSHHM-MFKMUULPSA-N 0 0 248.282 2.210 20 5 BEBDRN C[C@@H](CNc1ccc([N+](=O)[O-])cn1)CC(F)F ZINC000591963027 347718845 /nfs/dbraw/zinc/71/88/45/347718845.db2.gz BOBBBSLJGCWAMX-SSDOTTSWSA-N 0 0 245.229 2.115 20 5 BEBDRN CCN(CCSC)c1ccc([N+](=O)[O-])cn1 ZINC000592000595 347722435 /nfs/dbraw/zinc/72/24/35/347722435.db2.gz OJJLVERRKRSHGC-UHFFFAOYSA-N 0 0 241.316 2.179 20 5 BEBDRN Cc1cc(N[C@@H](CO)CCF)ccc1[N+](=O)[O-] ZINC000593508478 347901155 /nfs/dbraw/zinc/90/11/55/347901155.db2.gz GUDAOOXHCCKWDX-SNVBAGLBSA-N 0 0 242.250 2.036 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H](CO)CCF ZINC000593509370 347901768 /nfs/dbraw/zinc/90/17/68/347901768.db2.gz NXCBYINJZJAWFL-SECBINFHSA-N 0 0 242.250 2.036 20 5 BEBDRN CC1(NC(=O)c2ccc([N+](=O)[O-])o2)CC=CC1 ZINC000594072352 347999184 /nfs/dbraw/zinc/99/91/84/347999184.db2.gz NBLCNADBTCFUJD-UHFFFAOYSA-N 0 0 236.227 2.026 20 5 BEBDRN COCC1(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594592382 348079245 /nfs/dbraw/zinc/07/92/45/348079245.db2.gz LNHVFOSICWIESW-UHFFFAOYSA-N 0 0 236.271 2.433 20 5 BEBDRN CC(C)(O)CCSc1cccnc1[N+](=O)[O-] ZINC000594588877 348078651 /nfs/dbraw/zinc/07/86/51/348078651.db2.gz PCMLNAWZVPXFIS-UHFFFAOYSA-N 0 0 242.300 2.243 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000203090409 348103445 /nfs/dbraw/zinc/10/34/45/348103445.db2.gz CWGXQYDOOSICGM-SECBINFHSA-N 0 0 206.245 2.441 20 5 BEBDRN O=[N+]([O-])c1cn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)cn1 ZINC000594885368 348120537 /nfs/dbraw/zinc/12/05/37/348120537.db2.gz DJZYWLGVHXIIRQ-BBBLOLIVSA-N 0 0 221.260 2.228 20 5 BEBDRN CC[C@H](CC(F)F)Cn1nccc1[N+](=O)[O-] ZINC000594886452 348121134 /nfs/dbraw/zinc/12/11/34/348121134.db2.gz RGECGGCIXMFYFC-SSDOTTSWSA-N 0 0 233.218 2.473 20 5 BEBDRN CCCN(CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595297539 348216245 /nfs/dbraw/zinc/21/62/45/348216245.db2.gz VTMYIUXDIBSDDN-UHFFFAOYSA-N 0 0 227.264 2.123 20 5 BEBDRN Cc1nn(C[C@@H]2C[C@H]3C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000596011150 348412763 /nfs/dbraw/zinc/41/27/63/348412763.db2.gz JZGPGPCBHATCAZ-JGPRNRPPSA-N 0 0 235.287 2.454 20 5 BEBDRN Cc1cc(N2CCC(=O)CC2)c([N+](=O)[O-])s1 ZINC000596071592 348438005 /nfs/dbraw/zinc/43/80/05/348438005.db2.gz SJOOTYXAKRKSKQ-UHFFFAOYSA-N 0 0 240.284 2.134 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1CC12CC2 ZINC000596280103 348486874 /nfs/dbraw/zinc/48/68/74/348486874.db2.gz ASEOHJVDYMXZAL-MRVPVSSYSA-N 0 0 239.662 2.030 20 5 BEBDRN Cc1ccnc(Oc2cccc([N+](=O)[O-])c2)n1 ZINC000301291866 179464722 /nfs/dbraw/zinc/46/47/22/179464722.db2.gz UXZDIHDMTNZKJP-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN CCCN(C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596094298 348444907 /nfs/dbraw/zinc/44/49/07/348444907.db2.gz JTCILEUSQNUBPL-UHFFFAOYSA-N 0 0 229.667 2.489 20 5 BEBDRN Cc1cc(N[C@H](C)CCO)c([N+](=O)[O-])s1 ZINC000596133213 348447196 /nfs/dbraw/zinc/44/71/96/348447196.db2.gz FKRQZGVLNGGKDP-ZCFIWIBFSA-N 0 0 230.289 2.148 20 5 BEBDRN Cc1cc(NC[C@@H](O)C(C)C)c([N+](=O)[O-])s1 ZINC000596135766 348447705 /nfs/dbraw/zinc/44/77/05/348447705.db2.gz LREQRMKZKBXTBA-SECBINFHSA-N 0 0 244.316 2.394 20 5 BEBDRN Cc1cc(N(C)CC[C@@H](C)O)c([N+](=O)[O-])s1 ZINC000596138061 348448983 /nfs/dbraw/zinc/44/89/83/348448983.db2.gz PICSNZXRYXCBIE-SSDOTTSWSA-N 0 0 244.316 2.172 20 5 BEBDRN Cc1cc(S[C@H](C)CO)c([N+](=O)[O-])s1 ZINC000596145377 348450743 /nfs/dbraw/zinc/45/07/43/348450743.db2.gz RVXVPAGWZBSORZ-ZCFIWIBFSA-N 0 0 233.314 2.438 20 5 BEBDRN CC[C@@H](C)CN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596120674 348454259 /nfs/dbraw/zinc/45/42/59/348454259.db2.gz RMHGHOYNOUWHAE-MRVPVSSYSA-N 0 0 239.275 2.178 20 5 BEBDRN O=c1[nH]ccc(NCC2(C3CC3)CC2)c1[N+](=O)[O-] ZINC000596172991 348461560 /nfs/dbraw/zinc/46/15/60/348461560.db2.gz NRNHZFIVCPCZOT-UHFFFAOYSA-N 0 0 249.270 2.298 20 5 BEBDRN Cc1cc(NCCN2CCC2)c([N+](=O)[O-])s1 ZINC000596175032 348462476 /nfs/dbraw/zinc/46/24/76/348462476.db2.gz OSEYRXQOBJXETR-UHFFFAOYSA-N 0 0 241.316 2.082 20 5 BEBDRN CC/C=C\CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596254013 348475432 /nfs/dbraw/zinc/47/54/32/348475432.db2.gz ZXKMMLOWBCYTHW-ARJAWSKDSA-N 0 0 223.232 2.074 20 5 BEBDRN O=c1[nH]ccc(NC[C@@H]2C[C@H]2C2CC2)c1[N+](=O)[O-] ZINC000596262426 348478687 /nfs/dbraw/zinc/47/86/87/348478687.db2.gz VCMIMGZMHWIYNA-IUCAKERBSA-N 0 0 249.270 2.153 20 5 BEBDRN CC[C@H](C)CCNc1c([N+](=O)[O-])ncn1C ZINC000596417357 348541375 /nfs/dbraw/zinc/54/13/75/348541375.db2.gz YBWKXUIOOWYCFL-QMMMGPOBSA-N 0 0 226.280 2.176 20 5 BEBDRN C[C@H](Nc1ccccc1[N+](=O)[O-])C1(CO)CC1 ZINC000596438665 348547554 /nfs/dbraw/zinc/54/75/54/348547554.db2.gz UULLJRLBNCQJHE-VIFPVBQESA-N 0 0 236.271 2.168 20 5 BEBDRN Cc1cn(Cc2cc(C3CC3)no2)nc1[N+](=O)[O-] ZINC000596279130 348495596 /nfs/dbraw/zinc/49/55/96/348495596.db2.gz PXNZSJDSIIOGBU-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@H](CO)C1CCC1 ZINC000596323883 348507223 /nfs/dbraw/zinc/50/72/23/348507223.db2.gz BKMJXIMWYDCLLF-LLVKDONJSA-N 0 0 236.271 2.168 20 5 BEBDRN COCCCSCc1onc(C)c1[N+](=O)[O-] ZINC000596368819 348512543 /nfs/dbraw/zinc/51/25/43/348512543.db2.gz YOOJVQARPXRFSK-UHFFFAOYSA-N 0 0 246.288 2.161 20 5 BEBDRN Cc1cc(NC/C=C/CO)c(F)cc1[N+](=O)[O-] ZINC000596424043 348528414 /nfs/dbraw/zinc/52/84/14/348528414.db2.gz PDUBBZYQSOKESU-NSCUHMNNSA-N 0 0 240.234 2.003 20 5 BEBDRN CO[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1C ZINC000596540628 348583168 /nfs/dbraw/zinc/58/31/68/348583168.db2.gz SKEZHGSCYPJWEJ-NEPJUHHUSA-N 0 0 236.271 2.493 20 5 BEBDRN CC12CC(C1)CN2c1ncc([N+](=O)[O-])s1 ZINC000596574215 348591753 /nfs/dbraw/zinc/59/17/53/348591753.db2.gz FSUKXHWDVYYKSY-UHFFFAOYSA-N 0 0 225.273 2.040 20 5 BEBDRN Cc1nc(N2CC3CC2(C)C3)ccc1[N+](=O)[O-] ZINC000596575377 348591800 /nfs/dbraw/zinc/59/18/00/348591800.db2.gz QSSGYWPVAPVPDG-UHFFFAOYSA-N 0 0 233.271 2.287 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC2([C@H](C)O)CC2)c1 ZINC000596523194 348563984 /nfs/dbraw/zinc/56/39/84/348563984.db2.gz GVLYIYPDQAOHBC-VIFPVBQESA-N 0 0 236.271 2.229 20 5 BEBDRN C[C@@H](O)C1(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000596522665 348564112 /nfs/dbraw/zinc/56/41/12/348564112.db2.gz AFRVKHCHVYSFBG-SSDOTTSWSA-N 0 0 240.234 2.059 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2C[C@@H]2C1 ZINC000596508820 348571901 /nfs/dbraw/zinc/57/19/01/348571901.db2.gz FZDDGSSTSSIMAM-NXEZZACHSA-N 0 0 248.282 2.450 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@H]2C[C@H]2C1 ZINC000596509721 348572465 /nfs/dbraw/zinc/57/24/65/348572465.db2.gz JWMASUQBCNENCR-UWVGGRQHSA-N 0 0 218.256 2.441 20 5 BEBDRN CC[C@@H](O)COc1c(C)cccc1[N+](=O)[O-] ZINC000128657639 350000820 /nfs/dbraw/zinc/00/08/20/350000820.db2.gz QZJXHIQXUXXQBA-SECBINFHSA-N 0 0 225.244 2.053 20 5 BEBDRN CC[C@@H](C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597975757 348858383 /nfs/dbraw/zinc/85/83/83/348858383.db2.gz NCSDPOBYFCPARH-MRVPVSSYSA-N 0 0 239.275 2.089 20 5 BEBDRN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000598234667 348914743 /nfs/dbraw/zinc/91/47/43/348914743.db2.gz WJIDSPKXGIGKTH-QMMMGPOBSA-N 0 0 238.243 2.106 20 5 BEBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]2C[C@H]2C1 ZINC000598327311 348931343 /nfs/dbraw/zinc/93/13/43/348931343.db2.gz GIJNUZFQMWJFPJ-ONGXEEELSA-N 0 0 246.266 2.077 20 5 BEBDRN O=C(NCC1=CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000598378341 348951921 /nfs/dbraw/zinc/95/19/21/348951921.db2.gz HYQKMOFLNPTLPB-UHFFFAOYSA-N 0 0 236.227 2.028 20 5 BEBDRN C[C@@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CO1 ZINC000401974779 349000723 /nfs/dbraw/zinc/00/07/23/349000723.db2.gz RVXLHVYORJXLEY-APPZFPTMSA-N 0 0 240.234 2.323 20 5 BEBDRN CSCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000308879674 349016538 /nfs/dbraw/zinc/01/65/38/349016538.db2.gz VHYHJRSBIQYUBW-UHFFFAOYSA-N 0 0 247.707 2.418 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2CC=CC2)cn1 ZINC000599128023 349102792 /nfs/dbraw/zinc/10/27/92/349102792.db2.gz VTVREJFNFGRWBX-UHFFFAOYSA-N 0 0 219.244 2.368 20 5 BEBDRN CN(CC1(C)COC1)c1sccc1[N+](=O)[O-] ZINC000599144546 349104986 /nfs/dbraw/zinc/10/49/86/349104986.db2.gz GSJGSSKTVPHAEP-UHFFFAOYSA-N 0 0 242.300 2.129 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC3(C2)CCCO3)s1 ZINC000599145212 349105226 /nfs/dbraw/zinc/10/52/26/349105226.db2.gz PZLPAIXXPVZSDU-UHFFFAOYSA-N 0 0 240.284 2.026 20 5 BEBDRN O=[N+]([O-])c1ccsc1N[C@@H]1CCCOC1 ZINC000308906895 349058681 /nfs/dbraw/zinc/05/86/81/349058681.db2.gz OLKGZCISULULHK-SSDOTTSWSA-N 0 0 228.273 2.247 20 5 BEBDRN CC[C@](C)(O)CNc1ccsc1[N+](=O)[O-] ZINC000308911081 349059540 /nfs/dbraw/zinc/05/95/40/349059540.db2.gz DTJQHJUAJZFLOJ-VIFPVBQESA-N 0 0 230.289 2.229 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H](F)C2)s1 ZINC000308903600 349061121 /nfs/dbraw/zinc/06/11/21/349061121.db2.gz KGYKPTCKWRTKTH-PHDIDXHHSA-N 0 0 231.252 2.354 20 5 BEBDRN Cc1cc(=O)n(-c2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000601937980 349391711 /nfs/dbraw/zinc/39/17/11/349391711.db2.gz DVPYEXHCNQFKBD-UHFFFAOYSA-N 0 0 233.227 2.016 20 5 BEBDRN Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2C)[nH]1 ZINC000601942634 349393256 /nfs/dbraw/zinc/39/32/56/349393256.db2.gz LSGCMZNRSFNJBG-UHFFFAOYSA-N 0 0 233.227 2.016 20 5 BEBDRN CC1(CNc2ccsc2[N+](=O)[O-])COC1 ZINC000309136814 350080413 /nfs/dbraw/zinc/08/04/13/350080413.db2.gz SEZQPIYZDAAAPG-UHFFFAOYSA-N 0 0 228.273 2.105 20 5 BEBDRN Cc1nc(N2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268543196 180004156 /nfs/dbraw/zinc/00/41/56/180004156.db2.gz ZWMOSIWOQHYUEX-MRVPVSSYSA-N 0 0 221.260 2.144 20 5 BEBDRN Cc1nc(N2C[C@@H]3[C@H](C2)C3(C)C)ccc1[N+](=O)[O-] ZINC000268481316 180005002 /nfs/dbraw/zinc/00/50/02/180005002.db2.gz LOBFBBXMGYIRIX-AOOOYVTPSA-N 0 0 247.298 2.390 20 5 BEBDRN Cc1nc(NC(=O)CCC2CC2)ccc1[N+](=O)[O-] ZINC000133767041 180007024 /nfs/dbraw/zinc/00/70/24/180007024.db2.gz KNAPQYIFCFJBGO-UHFFFAOYSA-N 0 0 249.270 2.427 20 5 BEBDRN Cc1nc(NCC2(C3CC3)CC2)ncc1[N+](=O)[O-] ZINC000297571701 180015855 /nfs/dbraw/zinc/01/58/55/180015855.db2.gz SBQLSXWLUSHYRZ-UHFFFAOYSA-N 0 0 248.286 2.295 20 5 BEBDRN Cc1nc(NCCC(C)(F)F)ncc1[N+](=O)[O-] ZINC000294952752 180017167 /nfs/dbraw/zinc/01/71/67/180017167.db2.gz MSLJVEOSGTYXLL-UHFFFAOYSA-N 0 0 246.217 2.150 20 5 BEBDRN Cc1nc(NCCn2cccc2)ccc1[N+](=O)[O-] ZINC000268467391 180018661 /nfs/dbraw/zinc/01/86/61/180018661.db2.gz IRXVVNOFJCUFMB-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN Cc1nc(NC[C@@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000131239808 180019371 /nfs/dbraw/zinc/01/93/71/180019371.db2.gz JCTIVIYIHFNXJA-CBAPKCEASA-N 0 0 221.260 2.366 20 5 BEBDRN Cc1nc(NCc2ccccn2)ccc1[N+](=O)[O-] ZINC000161492195 180020974 /nfs/dbraw/zinc/02/09/74/180020974.db2.gz QDTJQLCEZLFASU-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1nc(N[C@@H]2CCC2(C)C)ncc1[N+](=O)[O-] ZINC000295640722 180022707 /nfs/dbraw/zinc/02/27/07/180022707.db2.gz DOKVJYUFGAAUHK-SECBINFHSA-N 0 0 236.275 2.294 20 5 BEBDRN Cc1nc(N[C@H]2CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297084007 180025040 /nfs/dbraw/zinc/02/50/40/180025040.db2.gz KAZPCBNBNYYHAG-CBAPKCEASA-N 0 0 236.275 2.294 20 5 BEBDRN Cc1nc(N[C@H](C)c2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000229871266 180025235 /nfs/dbraw/zinc/02/52/35/180025235.db2.gz OHMODLYKMQDBJE-SSDOTTSWSA-N 0 0 247.258 2.194 20 5 BEBDRN Cc1nc(N[C@H]2CCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000297084002 180025591 /nfs/dbraw/zinc/02/55/91/180025591.db2.gz KAZPCBNBNYYHAG-APPZFPTMSA-N 0 0 236.275 2.294 20 5 BEBDRN Cc1nc(Sc2ncc[nH]2)ccc1[N+](=O)[O-] ZINC000301669680 180033125 /nfs/dbraw/zinc/03/31/25/180033125.db2.gz PVRBMSJMLXGRCA-UHFFFAOYSA-N 0 0 236.256 2.173 20 5 BEBDRN CC[C@H](CCO)Nc1ccsc1[N+](=O)[O-] ZINC000309213714 350202101 /nfs/dbraw/zinc/20/21/01/350202101.db2.gz UADIQDIGVLJIBE-SSDOTTSWSA-N 0 0 230.289 2.229 20 5 BEBDRN CC(C)[C@@H](CO)CNc1sccc1[N+](=O)[O-] ZINC000309315279 350310193 /nfs/dbraw/zinc/31/01/93/350310193.db2.gz CWNKVBNPSJLFQM-MRVPVSSYSA-N 0 0 244.316 2.333 20 5 BEBDRN Cc1nn(C)c(N[C@H]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000071208319 180359719 /nfs/dbraw/zinc/35/97/19/180359719.db2.gz DYRAFUXZNCPCNH-APPZFPTMSA-N 0 0 238.291 2.237 20 5 BEBDRN Cc1nn(C)cc1CNc1cccc([N+](=O)[O-])c1 ZINC000126841452 180376373 /nfs/dbraw/zinc/37/63/73/180376373.db2.gz ZYDYNBTVXFZKDP-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1nn(C)cc1Nc1ccc([N+](=O)[O-])cc1 ZINC000223232920 180377790 /nfs/dbraw/zinc/37/77/90/180377790.db2.gz SFYYUERRKVDXIP-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN CC1(C)SC[C@@H]1Nc1cccnc1[N+](=O)[O-] ZINC000309450020 350499663 /nfs/dbraw/zinc/49/96/63/350499663.db2.gz MGPGSATUNIYFKZ-QMMMGPOBSA-N 0 0 239.300 2.296 20 5 BEBDRN CC1(C)SC[C@H]1Nc1cccnc1[N+](=O)[O-] ZINC000309450019 350499723 /nfs/dbraw/zinc/49/97/23/350499723.db2.gz MGPGSATUNIYFKZ-MRVPVSSYSA-N 0 0 239.300 2.296 20 5 BEBDRN Cc1nn(CCCCCF)cc1[N+](=O)[O-] ZINC000284454819 180388293 /nfs/dbraw/zinc/38/82/93/180388293.db2.gz QGVGVXLILGTKRJ-UHFFFAOYSA-N 0 0 215.228 2.240 20 5 BEBDRN O=[N+]([O-])c1ncccc1NC[C@H]1CCSC1 ZINC000228583685 350547796 /nfs/dbraw/zinc/54/77/96/350547796.db2.gz ILPKUTVPBGKFJY-MRVPVSSYSA-N 0 0 239.300 2.155 20 5 BEBDRN Cc1nnc([C@H](C)Nc2ccccc2[N+](=O)[O-])[nH]1 ZINC000286617305 180446646 /nfs/dbraw/zinc/44/66/46/180446646.db2.gz UJUWZIDNMFHRPE-ZETCQYMHSA-N 0 0 247.258 2.194 20 5 BEBDRN Cc1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000268062569 180485241 /nfs/dbraw/zinc/48/52/41/180485241.db2.gz VOCCRWJTXNJNRJ-UHFFFAOYSA-N 0 0 233.227 2.071 20 5 BEBDRN C/C=C\C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000351546820 350910107 /nfs/dbraw/zinc/91/01/07/350910107.db2.gz WCDHJVGEMKEJKT-OTDNITJGSA-N 0 0 236.271 2.334 20 5 BEBDRN C[C@@H]1CC[C@@H](C)N1c1ccc([N+](=O)[O-])nc1 ZINC000343465859 350971858 /nfs/dbraw/zinc/97/18/58/350971858.db2.gz MVEAWOPMTXIRBC-RKDXNWHRSA-N 0 0 221.260 2.367 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2C(F)F)nc1 ZINC000343922322 351008070 /nfs/dbraw/zinc/00/80/70/351008070.db2.gz UBLNNNWKQBJYLY-MRVPVSSYSA-N 0 0 243.213 2.224 20 5 BEBDRN CC[C@@H](Nc1ncc([N+](=O)[O-])s1)C(C)(C)O ZINC000292842551 350987775 /nfs/dbraw/zinc/98/77/75/350987775.db2.gz QQHBZIYHJAMTDF-ZCFIWIBFSA-N 0 0 245.304 2.013 20 5 BEBDRN Cc1ccnc(N[C@@H]2C[C@@H]2C(F)F)c1[N+](=O)[O-] ZINC000343782170 350995728 /nfs/dbraw/zinc/99/57/28/350995728.db2.gz NPRXLPSZXAADDZ-NKWVEPMBSA-N 0 0 243.213 2.364 20 5 BEBDRN Cc1ccc(Oc2ccc([N+](=O)[O-])nc2)cn1 ZINC000344429812 351126775 /nfs/dbraw/zinc/12/67/75/351126775.db2.gz BKRZLNJZQVHWSH-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN CN(CCC(F)(F)F)c1ccc([N+](=O)[O-])nc1 ZINC000344416840 351125428 /nfs/dbraw/zinc/12/54/28/351125428.db2.gz JRDYYBNTMOEVGJ-UHFFFAOYSA-N 0 0 249.192 2.378 20 5 BEBDRN O=[N+]([O-])c1ccccc1Cn1cc(Cl)cn1 ZINC000063457299 351367552 /nfs/dbraw/zinc/36/75/52/351367552.db2.gz ZPAFTVHOKGNYAX-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN O=[N+]([O-])c1ncccc1SC[C@H]1CCCO1 ZINC000617221898 351338984 /nfs/dbraw/zinc/33/89/84/351338984.db2.gz ZLVNXOUMPKMBME-MRVPVSSYSA-N 0 0 240.284 2.261 20 5 BEBDRN C[C@H]1CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000356725248 187551987 /nfs/dbraw/zinc/55/19/87/187551987.db2.gz KTJSABOCHGRAHH-CABZTGNLSA-N 0 0 248.282 2.052 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057835328 352177065 /nfs/dbraw/zinc/17/70/65/352177065.db2.gz MMTCYUHMKGQVCI-GZMMTYOYSA-N 0 0 246.266 2.140 20 5 BEBDRN CCOc1ccc(-c2nc(C)no2)cc1[N+](=O)[O-] ZINC000349771853 133910532 /nfs/dbraw/zinc/91/05/32/133910532.db2.gz YQROBSUGNVXVIE-UHFFFAOYSA-N 0 0 249.226 2.352 20 5 BEBDRN Cc1ccnc(NC2CCC2)c1[N+](=O)[O-] ZINC000070062793 187939543 /nfs/dbraw/zinc/93/95/43/187939543.db2.gz BXYRQABBCRLGSJ-UHFFFAOYSA-N 0 0 207.233 2.263 20 5 BEBDRN Cc1cc(N(C)Cc2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000338289972 188017055 /nfs/dbraw/zinc/01/70/55/188017055.db2.gz OTAYPJRUDMEBND-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN O=[N+]([O-])c1cnccc1NCC12CCC(CC1)C2 ZINC000339694938 188019321 /nfs/dbraw/zinc/01/93/21/188019321.db2.gz INEQKFSNGLSGRE-UHFFFAOYSA-N 0 0 247.298 2.404 20 5 BEBDRN CC(C)(F)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000271136107 188025500 /nfs/dbraw/zinc/02/55/00/188025500.db2.gz TUQBJOBFQKQPRU-UHFFFAOYSA-N 0 0 227.191 2.248 20 5 BEBDRN CC1(C)C[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000269727616 188025583 /nfs/dbraw/zinc/02/55/83/188025583.db2.gz UIBXFERBZNBJDS-NSHDSACASA-N 0 0 248.282 2.257 20 5 BEBDRN C[C@H](O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000134044933 353157684 /nfs/dbraw/zinc/15/76/84/353157684.db2.gz BMQNQSWORVMXTE-ZETCQYMHSA-N 0 0 245.662 2.398 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCCO2)s1 ZINC000048999380 353163000 /nfs/dbraw/zinc/16/30/00/353163000.db2.gz CCURUDVXZPCVPY-SSDOTTSWSA-N 0 0 228.273 2.247 20 5 BEBDRN C/C=C\CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000600490371 363215575 /nfs/dbraw/zinc/21/55/75/363215575.db2.gz HOGAVVKFTPTVKG-ARJAWSKDSA-N 0 0 234.255 2.209 20 5 BEBDRN CC(C)=CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000191782366 188350804 /nfs/dbraw/zinc/35/08/04/188350804.db2.gz OEKHCIDHNOKTKN-UHFFFAOYSA-N 0 0 248.282 2.220 20 5 BEBDRN Cc1cccc(NCC2(O)CCC2)c1[N+](=O)[O-] ZINC000218852228 353398090 /nfs/dbraw/zinc/39/80/90/353398090.db2.gz NHAYDDKIHILQOY-UHFFFAOYSA-N 0 0 236.271 2.230 20 5 BEBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC1 ZINC000273379003 188376665 /nfs/dbraw/zinc/37/66/65/188376665.db2.gz MPGLPHFEMVITAH-MDZDMXLPSA-N 0 0 246.266 2.230 20 5 BEBDRN CC[C@H]1CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000294082276 188392411 /nfs/dbraw/zinc/39/24/11/188392411.db2.gz QVEFWEDMLNBHSZ-JTQLQIEISA-N 0 0 234.255 2.219 20 5 BEBDRN Cc1cccc(O[C@H](C)[C@H](C)O)c1[N+](=O)[O-] ZINC000087138646 353696238 /nfs/dbraw/zinc/69/62/38/353696238.db2.gz GLKGBBKKOKHGRA-DTWKUNHWSA-N 0 0 225.244 2.051 20 5 BEBDRN Cc1cccc(O[C@@H](C)[C@H](C)O)c1[N+](=O)[O-] ZINC000087138644 353696488 /nfs/dbraw/zinc/69/64/88/353696488.db2.gz GLKGBBKKOKHGRA-IUCAKERBSA-N 0 0 225.244 2.051 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2CCC2)c(F)c1 ZINC000413141666 191359559 /nfs/dbraw/zinc/35/95/59/191359559.db2.gz TYHVLOSPCRHXGI-UHFFFAOYSA-N 0 0 211.196 2.093 20 5 BEBDRN CCCN(CC)c1ncc([N+](=O)[O-])cc1F ZINC000413169417 191360338 /nfs/dbraw/zinc/36/03/38/191360338.db2.gz KUAONBSXIDVECQ-UHFFFAOYSA-N 0 0 227.239 2.365 20 5 BEBDRN CC/C=C\CCn1c(C)c([N+](=O)[O-])ccc1=O ZINC000413006543 191338244 /nfs/dbraw/zinc/33/82/44/191338244.db2.gz ZVNZDBCHMVUYJL-PLNGDYQASA-N 0 0 236.271 2.421 20 5 BEBDRN CCn1ccc(CNc2ccc([N+](=O)[O-])cc2)n1 ZINC000413499962 191391703 /nfs/dbraw/zinc/39/17/03/191391703.db2.gz ZCIKAPDPDHDRGS-UHFFFAOYSA-N 0 0 246.270 2.423 20 5 BEBDRN CC[C@H]1CCN1c1ncc([N+](=O)[O-])cc1F ZINC000413307206 191369683 /nfs/dbraw/zinc/36/96/83/191369683.db2.gz YABSEZQTAKQIGB-ZETCQYMHSA-N 0 0 225.223 2.118 20 5 BEBDRN CC(C)[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000413430159 191379687 /nfs/dbraw/zinc/37/96/87/191379687.db2.gz DGAPLESQWJDVCK-VHSXEESVSA-N 0 0 221.260 2.446 20 5 BEBDRN O=[N+]([O-])c1sccc1NC[C@H]1CCCOC1 ZINC000049057275 355381544 /nfs/dbraw/zinc/38/15/44/355381544.db2.gz ISWHDJPEQXWCBO-MRVPVSSYSA-N 0 0 242.300 2.495 20 5 BEBDRN C[C@@H](C(=O)NC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000617724481 355735639 /nfs/dbraw/zinc/73/56/39/355735639.db2.gz BWOPOODQYJSIEQ-SECBINFHSA-N 0 0 248.282 2.367 20 5 BEBDRN CCOc1ccccc1Cn1cc([N+](=O)[O-])cn1 ZINC000074251687 355808268 /nfs/dbraw/zinc/80/82/68/355808268.db2.gz QJMGKYJNWARDDV-UHFFFAOYSA-N 0 0 247.254 2.238 20 5 BEBDRN CCOC(=O)CSc1sccc1[N+](=O)[O-] ZINC000223465261 355930022 /nfs/dbraw/zinc/93/00/22/355930022.db2.gz RSHUWJHGYXIKLT-UHFFFAOYSA-N 0 0 247.297 2.312 20 5 BEBDRN C[C@H](C(=O)NC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000617724482 356301467 /nfs/dbraw/zinc/30/14/67/356301467.db2.gz BWOPOODQYJSIEQ-VIFPVBQESA-N 0 0 248.282 2.367 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@H]1CCOC1 ZINC000035255713 356449821 /nfs/dbraw/zinc/44/98/21/356449821.db2.gz NZFFZFDNRBIJGD-SECBINFHSA-N 0 0 222.244 2.043 20 5 BEBDRN CC(C)=CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420614399 192248970 /nfs/dbraw/zinc/24/89/70/192248970.db2.gz XEPNWMLYXFZCPT-UHFFFAOYSA-N 0 0 249.270 2.072 20 5 BEBDRN CC(=O)[C@@H](C)CSc1ncccc1[N+](=O)[O-] ZINC000267991014 356469291 /nfs/dbraw/zinc/46/92/91/356469291.db2.gz JEVPNEKVCGYJKZ-ZETCQYMHSA-N 0 0 240.284 2.307 20 5 BEBDRN CC[C@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000387443315 366256591 /nfs/dbraw/zinc/25/65/91/366256591.db2.gz PULKVQBRNMZGKJ-APPZFPTMSA-N 0 0 242.250 2.305 20 5 BEBDRN COc1ccc(Cn2nccc2[N+](=O)[O-])cc1C ZINC000600519651 363472519 /nfs/dbraw/zinc/47/25/19/363472519.db2.gz KXUNYGIADIRXMS-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN CC(C)CCNc1ccc([N+](=O)[O-])nc1 ZINC000054613690 363519058 /nfs/dbraw/zinc/51/90/58/363519058.db2.gz AKWRPFGXPOWCGE-UHFFFAOYSA-N 0 0 209.249 2.448 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1-c1nc(C2CC2)no1 ZINC000346001581 356707417 /nfs/dbraw/zinc/70/74/17/356707417.db2.gz PXDVKOCLPVHBIM-UHFFFAOYSA-N 0 0 246.226 2.226 20 5 BEBDRN Cn1cc([N+](=O)[O-])cc1-c1nc(C2(C)CC2)no1 ZINC000351174181 357126647 /nfs/dbraw/zinc/12/66/47/357126647.db2.gz LIZYMKWWELARTP-UHFFFAOYSA-N 0 0 248.242 2.035 20 5 BEBDRN CC(C)C[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000040454549 357220810 /nfs/dbraw/zinc/22/08/10/357220810.db2.gz NDKURUJEPQXOSX-MRVPVSSYSA-N 0 0 224.264 2.231 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC2CCCCC2)nc1 ZINC000040454546 357225742 /nfs/dbraw/zinc/22/57/42/357225742.db2.gz YPJRGYMPTNKJEO-UHFFFAOYSA-N 0 0 236.275 2.377 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CC(C)(C)C1 ZINC000618983945 357997585 /nfs/dbraw/zinc/99/75/85/357997585.db2.gz FUGDGCSXHOHFGV-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN Cc1nc(COc2ccc(C)cc2[N+](=O)[O-])no1 ZINC000053223742 358128319 /nfs/dbraw/zinc/12/83/19/358128319.db2.gz BKQVFUDRZBXOMY-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN O=[N+]([O-])c1ccccc1OCC[C@H]1CCOC1 ZINC000450616576 202213351 /nfs/dbraw/zinc/21/33/51/202213351.db2.gz DRFGWTPZSYJCPM-SNVBAGLBSA-N 0 0 237.255 2.400 20 5 BEBDRN CC/C=C\CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000450698047 202236233 /nfs/dbraw/zinc/23/62/33/202236233.db2.gz VQSFLEHVZQYFGB-ARJAWSKDSA-N 0 0 249.270 2.072 20 5 BEBDRN Cc1cccc(N[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000218870518 134265663 /nfs/dbraw/zinc/26/56/63/134265663.db2.gz ASKIOCDHWWXIMY-SECBINFHSA-N 0 0 222.244 2.104 20 5 BEBDRN CC(C)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000172444590 134266022 /nfs/dbraw/zinc/26/60/22/134266022.db2.gz KVRNKJGUKKJURP-MRVPVSSYSA-N 0 0 240.259 2.210 20 5 BEBDRN Cc1sc(C(=O)NCC2CC2)cc1[N+](=O)[O-] ZINC000029792085 358428635 /nfs/dbraw/zinc/42/86/35/358428635.db2.gz QDVKKJZECWROSI-UHFFFAOYSA-N 0 0 240.284 2.105 20 5 BEBDRN C[C@@H](O)CCCOc1cccc([N+](=O)[O-])c1 ZINC000142116269 358567755 /nfs/dbraw/zinc/56/77/55/358567755.db2.gz VZKTXRQLFHUUIG-SECBINFHSA-N 0 0 225.244 2.135 20 5 BEBDRN O=[N+]([O-])c1ccccc1CNCc1cscn1 ZINC000048556833 358640301 /nfs/dbraw/zinc/64/03/01/358640301.db2.gz ZFYBBXHMRZVUKM-UHFFFAOYSA-N 0 0 249.295 2.341 20 5 BEBDRN CC1(C)[C@H](O)C[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000129273086 358585293 /nfs/dbraw/zinc/58/52/93/358585293.db2.gz QQRMVEGYAZCQNH-WDEREUQCSA-N 0 0 236.271 2.166 20 5 BEBDRN CC1=C[C@@H](C)CN(c2cccnc2[N+](=O)[O-])C1 ZINC000619528086 358697016 /nfs/dbraw/zinc/69/70/16/358697016.db2.gz UQSLTLKSNKYYKR-SECBINFHSA-N 0 0 233.271 2.392 20 5 BEBDRN CC1=CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000619550191 358759450 /nfs/dbraw/zinc/75/94/50/358759450.db2.gz MBRFDRTYSHRVQV-UHFFFAOYSA-N 0 0 219.244 2.146 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)C1 ZINC000611445081 359370256 /nfs/dbraw/zinc/37/02/56/359370256.db2.gz BHODITFOHBUKIX-UHFFFAOYSA-N 0 0 243.213 2.144 20 5 BEBDRN Cc1ccc(Nc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000035781644 359371069 /nfs/dbraw/zinc/37/10/69/359371069.db2.gz AAHHWUQQMRWVPR-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN CC(C)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000580465809 359569903 /nfs/dbraw/zinc/56/99/03/359569903.db2.gz XTZCFPMECTYYPP-UHFFFAOYSA-N 0 0 239.275 2.019 20 5 BEBDRN O=[N+]([O-])c1ncn(C[C@H]2CCCCC2(F)F)n1 ZINC000450809962 202272972 /nfs/dbraw/zinc/27/29/72/202272972.db2.gz LLJRTDGDCYYVGD-SSDOTTSWSA-N 0 0 246.217 2.012 20 5 BEBDRN Cc1nn(CCCc2ccncc2)cc1[N+](=O)[O-] ZINC000450956340 202319084 /nfs/dbraw/zinc/31/90/84/202319084.db2.gz GQMLJPRLXONUOK-UHFFFAOYSA-N 0 0 246.270 2.128 20 5 BEBDRN Cc1nn(CCOC2CCCC2)cc1[N+](=O)[O-] ZINC000450965381 202321531 /nfs/dbraw/zinc/32/15/31/202321531.db2.gz XGOVEDRNANTDTO-UHFFFAOYSA-N 0 0 239.275 2.059 20 5 BEBDRN COc1ccc(Cn2cc([N+](=O)[O-])c(C)n2)cc1 ZINC000450959858 202321614 /nfs/dbraw/zinc/32/16/14/202321614.db2.gz NMTSVYCJZOLNQA-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN Cc1nn([C@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000450967271 202322829 /nfs/dbraw/zinc/32/28/29/202322829.db2.gz ZXAFACVJWIJNBG-MBTKJCJQSA-N 0 0 239.275 2.228 20 5 BEBDRN O=C(N[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000431131283 192905560 /nfs/dbraw/zinc/90/55/60/192905560.db2.gz AHWGQWDBRSMSPO-NWDGAFQWSA-N 0 0 246.266 2.123 20 5 BEBDRN O=C(N[C@@H]1C[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000431140404 192906367 /nfs/dbraw/zinc/90/63/67/192906367.db2.gz QLYXMPFEWFYVRI-NWDGAFQWSA-N 0 0 246.266 2.123 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC(CC(F)F)C2)s1 ZINC000425284285 200964145 /nfs/dbraw/zinc/96/41/45/200964145.db2.gz NHIINONEMVLXPP-UHFFFAOYSA-N 0 0 249.242 2.143 20 5 BEBDRN CCCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000349921814 370689532 /nfs/dbraw/zinc/68/95/32/370689532.db2.gz TZQOBMKDYKEADH-UHFFFAOYSA-N 0 0 216.624 2.432 20 5 BEBDRN CC(C)(O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000153933460 201251399 /nfs/dbraw/zinc/25/13/99/201251399.db2.gz WKWSGGNMBYAZQN-UHFFFAOYSA-N 0 0 245.662 2.398 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1NC[C@H]1CCCO1 ZINC000037420766 364021709 /nfs/dbraw/zinc/02/17/09/364021709.db2.gz SNIWPEZHVWLQRN-MRVPVSSYSA-N 0 0 240.234 2.325 20 5 BEBDRN Cc1ccc(CNc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000037560631 364189142 /nfs/dbraw/zinc/18/91/42/364189142.db2.gz QNGZAFICINDBTR-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN O=[N+]([O-])c1ccccc1C=CCNc1c[nH]cn1 ZINC000573651674 364884177 /nfs/dbraw/zinc/88/41/77/364884177.db2.gz OKLVSXXUESKKGI-HWKANZROSA-N 0 0 244.254 2.443 20 5 BEBDRN Cc1c(OCCC2(O)CC2)cccc1[N+](=O)[O-] ZINC000442910637 193003543 /nfs/dbraw/zinc/00/35/43/193003543.db2.gz FBHNEHMIMPPFLB-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN CC[C@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000443508952 193023052 /nfs/dbraw/zinc/02/30/52/193023052.db2.gz LQZCNQVVSGMVNS-ZETCQYMHSA-N 0 0 227.289 2.430 20 5 BEBDRN CCCN1CCc2ccc([N+](=O)[O-])cc21 ZINC000182783610 366940668 /nfs/dbraw/zinc/94/06/68/366940668.db2.gz YXQNFTZMQLEULR-UHFFFAOYSA-N 0 0 206.245 2.367 20 5 BEBDRN Cc1nc(N2C3CCC2CC3)ccc1[N+](=O)[O-] ZINC000580748928 367154463 /nfs/dbraw/zinc/15/44/63/367154463.db2.gz AQGBLSWCSRVRMS-UHFFFAOYSA-N 0 0 233.271 2.429 20 5 BEBDRN CC(C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000580870278 367191890 /nfs/dbraw/zinc/19/18/90/367191890.db2.gz WTFHQROFBLCURC-SECBINFHSA-N 0 0 236.271 2.223 20 5 BEBDRN CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000193672512 367203634 /nfs/dbraw/zinc/20/36/34/367203634.db2.gz VJGWOZPEVWWQMI-UHFFFAOYSA-N 0 0 237.259 2.353 20 5 BEBDRN COC[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000193890391 367223584 /nfs/dbraw/zinc/22/35/84/367223584.db2.gz UFMUGHHTZOHDRV-JTQLQIEISA-N 0 0 238.287 2.062 20 5 BEBDRN CCO[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000581230088 367301053 /nfs/dbraw/zinc/30/10/53/367301053.db2.gz MDRQUMDRNLNZER-CMPLNLGQSA-N 0 0 236.271 2.493 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2ccncn2)c(F)c1 ZINC000054789843 367368047 /nfs/dbraw/zinc/36/80/47/367368047.db2.gz PGKHHLUTKSTMKC-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN COc1ccnc(Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000015111760 367936752 /nfs/dbraw/zinc/93/67/52/367936752.db2.gz VVWVAFVATLZXRK-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN CC(C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000017055262 367955057 /nfs/dbraw/zinc/95/50/57/367955057.db2.gz CHZCIBYHXBMTDO-ZETCQYMHSA-N 0 0 242.300 2.431 20 5 BEBDRN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000349235248 368141730 /nfs/dbraw/zinc/14/17/30/368141730.db2.gz BPKYWHKSRICFKD-SECBINFHSA-N 0 0 247.254 2.434 20 5 BEBDRN CCN(CC)C(=O)c1csc([N+](=O)[O-])c1 ZINC000042566368 368311505 /nfs/dbraw/zinc/31/15/05/368311505.db2.gz YMUOAZVBWFWDLR-UHFFFAOYSA-N 0 0 228.273 2.138 20 5 BEBDRN CC[C@H](C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000057073918 368481500 /nfs/dbraw/zinc/48/15/00/368481500.db2.gz YEWIODLEVCOWRW-JGVFFNPUSA-N 0 0 239.275 2.087 20 5 BEBDRN CC(C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081588932 370901642 /nfs/dbraw/zinc/90/16/42/370901642.db2.gz MFAIHQODFWRIPJ-UHFFFAOYSA-N 0 0 232.243 2.358 20 5 BEBDRN CCCCN(C)c1ccc([N+](=O)[O-])nc1 ZINC000072522085 368773150 /nfs/dbraw/zinc/77/31/50/368773150.db2.gz DLXWWELXFJJIRK-UHFFFAOYSA-N 0 0 209.249 2.226 20 5 BEBDRN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC1 ZINC000072853618 368782982 /nfs/dbraw/zinc/78/29/82/368782982.db2.gz KICDXXGTNQSNJB-UHFFFAOYSA-N 0 0 240.646 2.094 20 5 BEBDRN Cn1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000091008800 368955266 /nfs/dbraw/zinc/95/52/66/368955266.db2.gz DDJDAMZDNRIQAL-UHFFFAOYSA-N 0 0 245.282 2.223 20 5 BEBDRN CO[C@@H](CNc1ccncc1[N+](=O)[O-])C(C)C ZINC000075062800 370073467 /nfs/dbraw/zinc/07/34/67/370073467.db2.gz FMDMACHMAKIQSQ-NSHDSACASA-N 0 0 239.275 2.073 20 5 BEBDRN C[C@H](CNc1ccc(N)c([N+](=O)[O-])n1)C1CC1 ZINC000310164408 370316358 /nfs/dbraw/zinc/31/63/58/370316358.db2.gz RYPYQLJXUVCVEA-SSDOTTSWSA-N 0 0 236.275 2.030 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1NCC1CC1 ZINC000309925493 370275996 /nfs/dbraw/zinc/27/59/96/370275996.db2.gz VDYJTKKKJPYZGY-UHFFFAOYSA-N 0 0 222.244 2.425 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148808 370544774 /nfs/dbraw/zinc/54/47/74/370544774.db2.gz XZUHYYZRUVGCBR-SCZZXKLOSA-N 0 0 246.266 2.140 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148811 370545104 /nfs/dbraw/zinc/54/51/04/370545104.db2.gz XZUHYYZRUVGCBR-WCBMZHEXSA-N 0 0 246.266 2.140 20 5 BEBDRN CC(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])s1 ZINC000078661269 370586714 /nfs/dbraw/zinc/58/67/14/370586714.db2.gz LUICUIZCFMTEIC-QMMMGPOBSA-N 0 0 244.316 2.475 20 5 BEBDRN CCCCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000067071478 370628528 /nfs/dbraw/zinc/62/85/28/370628528.db2.gz YELZRNISLOYWRW-UHFFFAOYSA-N 0 0 236.271 2.401 20 5 BEBDRN CC(C)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000092401525 371097344 /nfs/dbraw/zinc/09/73/44/371097344.db2.gz HAVJCEZZYNYDDZ-NSHDSACASA-N 0 0 242.250 2.163 20 5 BEBDRN CCc1ccc(OC[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000155208627 371204905 /nfs/dbraw/zinc/20/49/05/371204905.db2.gz ZTZIFYOAHVOXNI-SECBINFHSA-N 0 0 239.271 2.164 20 5 BEBDRN O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccoc3)no2)c1 ZINC000350810101 371596428 /nfs/dbraw/zinc/59/64/28/371596428.db2.gz CREHHRUNABFHKK-UHFFFAOYSA-N 0 0 246.182 2.233 20 5 BEBDRN C/C=C/CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000600489640 371672448 /nfs/dbraw/zinc/67/24/48/371672448.db2.gz FXCCZOXHKSRAQS-ONEGZZNKSA-N 0 0 234.255 2.209 20 5 BEBDRN C/C=C\CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000600492120 371674846 /nfs/dbraw/zinc/67/48/46/371674846.db2.gz PONWUCKJOQPWMV-ARJAWSKDSA-N 0 0 234.255 2.209 20 5 BEBDRN CC1(C)CC(Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000600509397 371676690 /nfs/dbraw/zinc/67/66/90/371676690.db2.gz ISHSWCAMOKYYKL-UHFFFAOYSA-N 0 0 236.271 2.193 20 5 BEBDRN CCCCSCCn1cc([N+](=O)[O-])cn1 ZINC000162201894 371629458 /nfs/dbraw/zinc/62/94/58/371629458.db2.gz YLPQEKCLXXHGPS-UHFFFAOYSA-N 0 0 229.305 2.325 20 5 BEBDRN C[C@H]1C[C@H]1COc1cccnc1[N+](=O)[O-] ZINC000600512020 371678201 /nfs/dbraw/zinc/67/82/01/371678201.db2.gz WMTXDBQEQRCBKT-YUMQZZPRSA-N 0 0 208.217 2.025 20 5 BEBDRN O=C(NCC1CC=CC1)c1ccc([N+](=O)[O-])cc1 ZINC000600230059 371654293 /nfs/dbraw/zinc/65/42/93/371654293.db2.gz PKMMXTQSPZHOHT-UHFFFAOYSA-N 0 0 246.266 2.291 20 5 BEBDRN CCCN(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601020717 371721433 /nfs/dbraw/zinc/72/14/33/371721433.db2.gz AIIFJMAPCCNJQT-UHFFFAOYSA-N 0 0 240.234 2.216 20 5 BEBDRN C[C@@H]1OCC[C@H]1COc1cccc([N+](=O)[O-])c1 ZINC000601069401 371724120 /nfs/dbraw/zinc/72/41/20/371724120.db2.gz IEFFDYDWUYTLRU-UWVGGRQHSA-N 0 0 237.255 2.399 20 5 BEBDRN O=[N+]([O-])c1cn(COC2CCCCC2)cn1 ZINC000601076047 371726189 /nfs/dbraw/zinc/72/61/89/371726189.db2.gz XWRDIMLTAYHWJN-UHFFFAOYSA-N 0 0 225.248 2.098 20 5 BEBDRN COC(=O)CCCNc1ccsc1[N+](=O)[O-] ZINC000601100601 371727438 /nfs/dbraw/zinc/72/74/38/371727438.db2.gz VUMPIQKJEBIECU-UHFFFAOYSA-N 0 0 244.272 2.021 20 5 BEBDRN C[C@@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000601124737 371728798 /nfs/dbraw/zinc/72/87/98/371728798.db2.gz JBHMPUSIEZIVNT-HTQZYQBOSA-N 0 0 239.250 2.221 20 5 BEBDRN O=[N+]([O-])c1sccc1N1CCCCO1 ZINC000601152893 371729494 /nfs/dbraw/zinc/72/94/94/371729494.db2.gz INBOYSKMEUJNJN-UHFFFAOYSA-N 0 0 214.246 2.188 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1NC1CC(F)(F)C1 ZINC000601155330 371730379 /nfs/dbraw/zinc/73/03/79/371730379.db2.gz HDYGGOKEWIHWSI-UHFFFAOYSA-N 0 0 247.176 2.339 20 5 BEBDRN Cc1cc(N(C)CCF)ccc1[N+](=O)[O-] ZINC000601170249 371733553 /nfs/dbraw/zinc/73/35/53/371733553.db2.gz NFWQSEJWZABNHG-UHFFFAOYSA-N 0 0 212.224 2.309 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCCC23CC3)nc1 ZINC000601209111 371736552 /nfs/dbraw/zinc/73/65/52/371736552.db2.gz BPTZDSVOJLZGGV-SECBINFHSA-N 0 0 234.259 2.129 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCC12CC2 ZINC000601209792 371736613 /nfs/dbraw/zinc/73/66/13/371736613.db2.gz LAFOAQDPRWHRMY-MRVPVSSYSA-N 0 0 236.275 2.073 20 5 BEBDRN CC(C)(F)CNc1cccnc1[N+](=O)[O-] ZINC000601205982 371736997 /nfs/dbraw/zinc/73/69/97/371736997.db2.gz LFXIANMMFMYLIN-UHFFFAOYSA-N 0 0 213.212 2.150 20 5 BEBDRN C[C@H]1C[C@@H]1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000600535546 371682003 /nfs/dbraw/zinc/68/20/03/371682003.db2.gz JBDWQDJKNSBPNK-NKWVEPMBSA-N 0 0 242.662 2.066 20 5 BEBDRN C[C@@H]1C[C@H]1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000600536660 371683031 /nfs/dbraw/zinc/68/30/31/371683031.db2.gz UYFHULDRTXBQIA-APPZFPTMSA-N 0 0 221.260 2.325 20 5 BEBDRN CCCOCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000600533376 371683158 /nfs/dbraw/zinc/68/31/58/371683158.db2.gz LALZPCIZGYTRPA-UHFFFAOYSA-N 0 0 225.248 2.053 20 5 BEBDRN C[C@H]1C[C@@H]1CSCCn1cc([N+](=O)[O-])cn1 ZINC000600644395 371691193 /nfs/dbraw/zinc/69/11/93/371691193.db2.gz GYQLDWFQXSWYOC-DTWKUNHWSA-N 0 0 241.316 2.181 20 5 BEBDRN Cc1nc(N2OC3CCC2CC3)ccc1[N+](=O)[O-] ZINC000601272609 371744783 /nfs/dbraw/zinc/74/47/83/371744783.db2.gz IRRCGWMFHFSTRG-UHFFFAOYSA-N 0 0 249.270 2.361 20 5 BEBDRN CC(C)OC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601714746 371763350 /nfs/dbraw/zinc/76/33/50/371763350.db2.gz KSWRWHXEHIFKKM-UHFFFAOYSA-N 0 0 227.191 2.299 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N1N=CC[C@H](C)C1=O ZINC000601942568 371776668 /nfs/dbraw/zinc/77/66/68/371776668.db2.gz KQGBHRGUUVXIMY-QMMMGPOBSA-N 0 0 247.254 2.262 20 5 BEBDRN CCc1ccc(C(=O)N2CC[C@H]2C)cc1[N+](=O)[O-] ZINC000603265424 371879138 /nfs/dbraw/zinc/87/91/38/371879138.db2.gz GNRIZBNBQZWXRY-SECBINFHSA-N 0 0 248.282 2.392 20 5 BEBDRN Cc1nn(C[C@H]2C[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000603317744 371882033 /nfs/dbraw/zinc/88/20/33/371882033.db2.gz BXSUBXJOFREBLC-VXNVDRBHSA-N 0 0 246.270 2.304 20 5 BEBDRN Cc1cccc(C(=O)OC(C)C)c1[N+](=O)[O-] ZINC000057465553 371840278 /nfs/dbraw/zinc/84/02/78/371840278.db2.gz NYSFWAVJXFPPEE-UHFFFAOYSA-N 0 0 223.228 2.468 20 5 BEBDRN Cc1c(Oc2cnccn2)cccc1[N+](=O)[O-] ZINC000603870229 371937513 /nfs/dbraw/zinc/93/75/13/371937513.db2.gz APSZZCYYCDZOKO-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2CSC2)cc1 ZINC000603414908 371892216 /nfs/dbraw/zinc/89/22/16/371892216.db2.gz XGZQLNJKTHOIAT-UHFFFAOYSA-N 0 0 224.285 2.370 20 5 BEBDRN COc1cnn(CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000603425024 371893972 /nfs/dbraw/zinc/89/39/72/371893972.db2.gz UJYQOQQBAWOEIZ-UHFFFAOYSA-N 0 0 247.254 2.043 20 5 BEBDRN COc1cnn(Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000603425068 371894085 /nfs/dbraw/zinc/89/40/85/371894085.db2.gz VWXHULIJWFQZPH-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN O=C(C1CCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057835236 371917856 /nfs/dbraw/zinc/91/78/56/371917856.db2.gz WAGMVEOOYVOCHO-UHFFFAOYSA-N 0 0 246.266 2.284 20 5 BEBDRN CC[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CCO1 ZINC000603937442 371944144 /nfs/dbraw/zinc/94/41/44/371944144.db2.gz VXLWDECQIGZHMQ-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN CC(C)(C)CCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000284333820 166576302 /nfs/dbraw/zinc/57/63/02/166576302.db2.gz USTYLBNFUVSIOU-UHFFFAOYSA-N 0 0 224.260 2.193 20 5 BEBDRN C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000604396391 371973783 /nfs/dbraw/zinc/97/37/83/371973783.db2.gz ZLFFLTOECFKOQM-VIFPVBQESA-N 0 0 248.282 2.371 20 5 BEBDRN Cc1ccc(C(=O)N2CC[C@H]2C)cc1[N+](=O)[O-] ZINC000604397676 371974763 /nfs/dbraw/zinc/97/47/63/371974763.db2.gz ATMXNBDISFHHDR-SECBINFHSA-N 0 0 234.255 2.138 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000604488630 371981136 /nfs/dbraw/zinc/98/11/36/371981136.db2.gz ZAXSXUPUZZBUSU-SVRRBLITSA-N 0 0 238.218 2.328 20 5 BEBDRN Cc1cc(C(=O)Nc2cnoc2)cc([N+](=O)[O-])c1 ZINC000604543000 371986599 /nfs/dbraw/zinc/98/65/99/371986599.db2.gz TVRZPOJGTQIHBK-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN CO[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000218387796 372104738 /nfs/dbraw/zinc/10/47/38/372104738.db2.gz TZMKPSYWDLOBMU-NSHDSACASA-N 0 0 236.271 2.128 20 5 BEBDRN O=C(C=C1CCC1)NCc1ccccc1[N+](=O)[O-] ZINC000121823176 181877448 /nfs/dbraw/zinc/87/74/48/181877448.db2.gz DTQIACOIFBZFCL-UHFFFAOYSA-N 0 0 246.266 2.321 20 5 BEBDRN CCCC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000004257634 372184824 /nfs/dbraw/zinc/18/48/24/372184824.db2.gz HENMLCZWYJNJEW-UHFFFAOYSA-N 0 0 234.255 2.284 20 5 BEBDRN CC[C@H]1CCCCN1c1c([N+](=O)[O-])ncn1C ZINC000008308453 372558073 /nfs/dbraw/zinc/55/80/73/372558073.db2.gz GSLACZWVMNIXHY-VIFPVBQESA-N 0 0 238.291 2.097 20 5 BEBDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000068051444 182001926 /nfs/dbraw/zinc/00/19/26/182001926.db2.gz VORQWFPFCICGPR-UHFFFAOYSA-N 0 0 239.202 2.092 20 5 BEBDRN O=C(Cc1cccc([N+](=O)[O-])c1)NCC1CCC1 ZINC000172784334 182042814 /nfs/dbraw/zinc/04/28/14/182042814.db2.gz RCBDAFZBBDLQQW-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN O=C(NCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000046146801 182258575 /nfs/dbraw/zinc/25/85/75/182258575.db2.gz MIJYLRYUIDPGCM-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN O=C(N[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])o1 ZINC000172487347 182327109 /nfs/dbraw/zinc/32/71/09/182327109.db2.gz BLRHOPQJACVBPC-QMMMGPOBSA-N 0 0 236.227 2.026 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000341849582 182361691 /nfs/dbraw/zinc/36/16/91/182361691.db2.gz QKVVCVJBKJUGFY-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)C1=CCC1 ZINC000336387554 182362991 /nfs/dbraw/zinc/36/29/91/182362991.db2.gz SGDMTJDILIFOOP-UHFFFAOYSA-N 0 0 236.202 2.393 20 5 BEBDRN CCCCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000085022219 168878098 /nfs/dbraw/zinc/87/80/98/168878098.db2.gz KHZCAEBKNYLUCW-UHFFFAOYSA-N 0 0 226.280 2.332 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2cnn(CCF)c2)cc1 ZINC000340668948 182926443 /nfs/dbraw/zinc/92/64/43/182926443.db2.gz MYSMCIKLVJUOJU-UHFFFAOYSA-N 0 0 235.218 2.428 20 5 BEBDRN O=c1cc(CNc2ccc([N+](=O)[O-])cc2)cc[nH]1 ZINC000340833018 182936012 /nfs/dbraw/zinc/93/60/12/182936012.db2.gz MFWVZEGCSGJJAK-UHFFFAOYSA-N 0 0 245.238 2.308 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@H]2O)cc1 ZINC000089167294 182936743 /nfs/dbraw/zinc/93/67/43/182936743.db2.gz DLECITLHNYKLIE-BXKDBHETSA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@H]1C[C@@H]1C(F)F ZINC000348229349 182953806 /nfs/dbraw/zinc/95/38/06/182953806.db2.gz XJZOADJKNHVCHO-WDSKDSINSA-N 0 0 229.186 2.055 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC1CCSCC1 ZINC000136351160 182953840 /nfs/dbraw/zinc/95/38/40/182953840.db2.gz VKECFRAJRMEXNH-UHFFFAOYSA-N 0 0 239.300 2.297 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)N(CCCF)CC2 ZINC000182800076 182941515 /nfs/dbraw/zinc/94/15/15/182941515.db2.gz DDHHRCMFBJDEOU-UHFFFAOYSA-N 0 0 224.235 2.317 20 5 BEBDRN O=[N+]([O-])c1cn(COC2CCC2)nc1C1CC1 ZINC000361006191 182956066 /nfs/dbraw/zinc/95/60/66/182956066.db2.gz BDMUWFQAMOTMDX-UHFFFAOYSA-N 0 0 237.259 2.195 20 5 BEBDRN O=[N+]([O-])c1ccsc1NC[C@H]1CC[C@H](O)C1 ZINC000302695855 182956183 /nfs/dbraw/zinc/95/61/83/182956183.db2.gz SUASUYIIWMBZJJ-YUMQZZPRSA-N 0 0 242.300 2.229 20 5 BEBDRN O=[N+]([O-])c1sccc1OCCOCC1CC1 ZINC001643934747 1172512576 /nfs/dbraw/zinc/51/25/76/1172512576.db2.gz GJFPAUASTNGIDM-UHFFFAOYSA-N 0 0 243.284 2.462 20 5 BEBDRN CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000051349935 169056347 /nfs/dbraw/zinc/05/63/47/169056347.db2.gz UBBJVLQRRWSVPA-UHFFFAOYSA-N 0 0 237.259 2.469 20 5 BEBDRN CCCN(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000049480130 169089327 /nfs/dbraw/zinc/08/93/27/169089327.db2.gz DOOBZVQNNNHDJY-UHFFFAOYSA-N 0 0 240.288 2.150 20 5 BEBDRN CCCN(CC1CC1)c1ncc([N+](=O)[O-])cn1 ZINC000273968877 169138868 /nfs/dbraw/zinc/13/88/68/169138868.db2.gz OXLSDKYZVDGASA-UHFFFAOYSA-N 0 0 236.275 2.011 20 5 BEBDRN CCCSc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000356306082 169341423 /nfs/dbraw/zinc/34/14/23/169341423.db2.gz AHXFSZUUJVSXDH-UHFFFAOYSA-N 0 0 240.284 2.196 20 5 BEBDRN CCC[C@@H](C)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000273620283 169366203 /nfs/dbraw/zinc/36/62/03/169366203.db2.gz OKZBOBAOOPOQCJ-MRVPVSSYSA-N 0 0 224.264 2.010 20 5 BEBDRN CCC[C@@H](C)N(C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000296550726 169366384 /nfs/dbraw/zinc/36/63/84/169366384.db2.gz OTEJSVDFJJUQLI-MRVPVSSYSA-N 0 0 238.291 2.318 20 5 BEBDRN CCc1cn(Cc2csc([N+](=O)[O-])c2)cn1 ZINC001644228275 1172535689 /nfs/dbraw/zinc/53/56/89/1172535689.db2.gz VVKUVCAVAJEOGE-UHFFFAOYSA-N 0 0 237.284 2.464 20 5 BEBDRN CCC[C@H](O)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000088722726 169520188 /nfs/dbraw/zinc/52/01/88/169520188.db2.gz AJQVWLIDGIQHBL-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN C[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])[C@H]1C ZINC000288236382 383840252 /nfs/dbraw/zinc/84/02/52/383840252.db2.gz FMSUACPWTGVYNB-BDAKNGLRSA-N 0 0 235.287 2.412 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCCOC(F)F)cn1 ZINC000337785367 383861819 /nfs/dbraw/zinc/86/18/19/383861819.db2.gz AZPPTAQHGWUJLL-UHFFFAOYSA-N 0 0 247.201 2.031 20 5 BEBDRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000334435746 383875910 /nfs/dbraw/zinc/87/59/10/383875910.db2.gz PCNAIVVDELIZRI-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H]2F)nc1 ZINC000338825714 383833687 /nfs/dbraw/zinc/83/36/87/383833687.db2.gz XSLAVQJEGQIROQ-IUCAKERBSA-N 0 0 225.223 2.292 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@H]2F)s1 ZINC000338838909 383833844 /nfs/dbraw/zinc/83/38/44/383833844.db2.gz AXSRRIZAVQQGJU-PHDIDXHHSA-N 0 0 231.252 2.354 20 5 BEBDRN CC(C)C[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000395360629 383922349 /nfs/dbraw/zinc/92/23/49/383922349.db2.gz WWCIVNKMGMXNRB-PSASIEDQSA-N 0 0 236.275 2.231 20 5 BEBDRN CC1(C)CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000288428708 383890982 /nfs/dbraw/zinc/89/09/82/383890982.db2.gz OEIMBQKAGPXHRP-UHFFFAOYSA-N 0 0 235.287 2.413 20 5 BEBDRN Cc1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC000611142776 384024234 /nfs/dbraw/zinc/02/42/34/384024234.db2.gz UYPAJYZUVNDGCI-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000125250910 384025682 /nfs/dbraw/zinc/02/56/82/384025682.db2.gz UPCZGHQLQKYJMB-WZRBSPASSA-N 0 0 248.282 2.004 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[C@@H]3C2)nc1 ZINC000268107283 384005944 /nfs/dbraw/zinc/00/59/44/384005944.db2.gz BQANJVJGWIFZFW-AOOOYVTPSA-N 0 0 233.271 2.226 20 5 BEBDRN C[C@H](CO)S/C=C/c1ccc([N+](=O)[O-])o1 ZINC000284251065 384007597 /nfs/dbraw/zinc/00/75/97/384007597.db2.gz OLTMEEALMUOEQY-SMMXGFFBSA-N 0 0 229.257 2.273 20 5 BEBDRN CC1(C)C[C@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000286531415 384043969 /nfs/dbraw/zinc/04/39/69/384043969.db2.gz YFALKYWFHAXTAC-SNVBAGLBSA-N 0 0 221.260 2.387 20 5 BEBDRN C[C@@H](CF)NCc1ccc([N+](=O)[O-])cc1F ZINC000309726053 384150324 /nfs/dbraw/zinc/15/03/24/384150324.db2.gz DCTZFAKAKSTCDB-ZETCQYMHSA-N 0 0 230.214 2.182 20 5 BEBDRN Cc1c(CN2CC[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000336259770 384186021 /nfs/dbraw/zinc/18/60/21/384186021.db2.gz SJNHYESWKPQFLW-NSHDSACASA-N 0 0 238.262 2.447 20 5 BEBDRN CC(C)[C@@H]1CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000336325112 384206506 /nfs/dbraw/zinc/20/65/06/384206506.db2.gz JFXCSEWAFWYZJV-NSHDSACASA-N 0 0 248.282 2.465 20 5 BEBDRN COC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000135233124 384189095 /nfs/dbraw/zinc/18/90/95/384189095.db2.gz RJYCXQGPVMUANO-UHFFFAOYSA-N 0 0 238.287 2.109 20 5 BEBDRN CC(C)[C@H]1CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000336325111 384207551 /nfs/dbraw/zinc/20/75/51/384207551.db2.gz JFXCSEWAFWYZJV-LLVKDONJSA-N 0 0 248.282 2.465 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H](C)CF)n1 ZINC000309854166 384191634 /nfs/dbraw/zinc/19/16/34/384191634.db2.gz ZMNICDBJPSCCKJ-QMMMGPOBSA-N 0 0 227.239 2.377 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCCC(C)(C)O)c1 ZINC000092800751 384195300 /nfs/dbraw/zinc/19/53/00/384195300.db2.gz JINYBBDFYKYXRI-UHFFFAOYSA-N 0 0 239.271 2.443 20 5 BEBDRN CCO[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000579191603 384195450 /nfs/dbraw/zinc/19/54/50/384195450.db2.gz BRUFMWNIYNNEIZ-MNOVXSKESA-N 0 0 240.234 2.323 20 5 BEBDRN C[C@H](Nc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000135250971 384196184 /nfs/dbraw/zinc/19/61/84/384196184.db2.gz XHPIMJPQOVKMCR-VHSXEESVSA-N 0 0 236.271 2.432 20 5 BEBDRN CC(C)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000042566522 384230092 /nfs/dbraw/zinc/23/00/92/384230092.db2.gz FFYCSGSAJNDYEF-UHFFFAOYSA-N 0 0 242.300 2.432 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)C2)c1 ZINC000336592102 384237794 /nfs/dbraw/zinc/23/77/94/384237794.db2.gz ACTWGEWKMMYTRP-JTQLQIEISA-N 0 0 248.282 2.385 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CC[C@@H](F)C2)nc1 ZINC000336660017 384243904 /nfs/dbraw/zinc/24/39/04/384243904.db2.gz BADYFNTWZKVNPZ-SFYZADRCSA-N 0 0 225.223 2.292 20 5 BEBDRN CC(C)(O)CCNc1cccc([N+](=O)[O-])c1 ZINC000336662985 384245252 /nfs/dbraw/zinc/24/52/52/384245252.db2.gz OWDSJMIYDBLOKD-UHFFFAOYSA-N 0 0 224.260 2.168 20 5 BEBDRN CSC[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000131242719 384255894 /nfs/dbraw/zinc/25/58/94/384255894.db2.gz IZKFLOYLWRJPJZ-ZETCQYMHSA-N 0 0 241.316 2.462 20 5 BEBDRN Cc1c(-c2nc(N(C)C)no2)cccc1[N+](=O)[O-] ZINC000358563581 384324460 /nfs/dbraw/zinc/32/44/60/384324460.db2.gz DRAIQIVJUFHQSE-UHFFFAOYSA-N 0 0 248.242 2.019 20 5 BEBDRN CC[C@H](O)CCNc1ccc([N+](=O)[O-])cc1 ZINC000127238545 384396154 /nfs/dbraw/zinc/39/61/54/384396154.db2.gz HGFZHGGNSJZXDX-NSHDSACASA-N 0 0 224.260 2.168 20 5 BEBDRN CC[C@H](O)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000127268328 384454735 /nfs/dbraw/zinc/45/47/35/384454735.db2.gz NYKRTUVAUXBDOR-QMMMGPOBSA-N 0 0 242.250 2.307 20 5 BEBDRN Cc1cnc(OCCC2CC2)c([N+](=O)[O-])c1 ZINC000340695252 384534503 /nfs/dbraw/zinc/53/45/03/384534503.db2.gz KPEFDLUAHHDZFW-UHFFFAOYSA-N 0 0 222.244 2.477 20 5 BEBDRN O=[N+]([O-])c1cccc(NCC[C@@H]2CCOC2)c1 ZINC000230102883 384525395 /nfs/dbraw/zinc/52/53/95/384525395.db2.gz KXVZCDWWCQBRHV-SNVBAGLBSA-N 0 0 236.271 2.433 20 5 BEBDRN C[C@@H](NC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000049269270 384528150 /nfs/dbraw/zinc/52/81/50/384528150.db2.gz HXGFMLZKJLBEMN-MRVPVSSYSA-N 0 0 249.270 2.117 20 5 BEBDRN CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000564892123 384588318 /nfs/dbraw/zinc/58/83/18/384588318.db2.gz HCMLOJUGCVQHFJ-UHFFFAOYSA-N 0 0 221.260 2.300 20 5 BEBDRN COCCCCNc1ccccc1[N+](=O)[O-] ZINC000044349001 384619413 /nfs/dbraw/zinc/61/94/13/384619413.db2.gz FCZJJYZAJTZJDT-UHFFFAOYSA-N 0 0 224.260 2.433 20 5 BEBDRN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1C ZINC000178165321 384600405 /nfs/dbraw/zinc/60/04/05/384600405.db2.gz IJFCRNMXETZHTN-SFYZADRCSA-N 0 0 238.243 2.058 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CC[C@@H](F)C2)cn1 ZINC000309491483 384652982 /nfs/dbraw/zinc/65/29/82/384652982.db2.gz ITGQOFSPJAONTK-SFYZADRCSA-N 0 0 225.223 2.292 20 5 BEBDRN Cc1nc(CNc2cc([N+](=O)[O-])ccc2C)no1 ZINC000084501385 384724753 /nfs/dbraw/zinc/72/47/53/384724753.db2.gz MUJVSGITKSXHAA-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])c1cnccc1Sc1ncco1 ZINC000340866914 384733364 /nfs/dbraw/zinc/73/33/64/384733364.db2.gz KMIXRLORCRFGER-UHFFFAOYSA-N 0 0 223.213 2.129 20 5 BEBDRN CCN(CC(F)F)c1ccc([N+](=O)[O-])nc1 ZINC000450442283 384754636 /nfs/dbraw/zinc/75/46/36/384754636.db2.gz SHOOLPAXELLDNP-UHFFFAOYSA-N 0 0 231.202 2.081 20 5 BEBDRN CCCCCCC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000190238896 384815469 /nfs/dbraw/zinc/81/54/69/384815469.db2.gz DEEPJMOROQLWEF-UHFFFAOYSA-N 0 0 239.275 2.331 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1OC[C@H]1CCCO1 ZINC000072555534 384781979 /nfs/dbraw/zinc/78/19/79/384781979.db2.gz NXLMXBQLWSDDFM-SECBINFHSA-N 0 0 241.218 2.292 20 5 BEBDRN CC1(C2(Nc3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000398205019 384841258 /nfs/dbraw/zinc/84/12/58/384841258.db2.gz BYOFRCVJYAAZCM-UHFFFAOYSA-N 0 0 234.259 2.129 20 5 BEBDRN C[C@@H]1OCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000147561160 384843900 /nfs/dbraw/zinc/84/39/00/384843900.db2.gz KAUGOULATWXRKI-DTWKUNHWSA-N 0 0 222.244 2.184 20 5 BEBDRN C[C@H](NCc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000080582008 384865108 /nfs/dbraw/zinc/86/51/08/384865108.db2.gz TUKMHCPYAJBSKU-VIFPVBQESA-N 0 0 246.270 2.169 20 5 BEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H](C)CO ZINC000077227752 384894475 /nfs/dbraw/zinc/89/44/75/384894475.db2.gz SWLWONVMXJOUNW-HTQZYQBOSA-N 0 0 242.250 2.163 20 5 BEBDRN Cc1cccc(N2CCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000188355153 384933135 /nfs/dbraw/zinc/93/31/35/384933135.db2.gz VUKDJKMSJZBPGI-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN COC[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000178301393 384964722 /nfs/dbraw/zinc/96/47/22/384964722.db2.gz RUUBFJOBIHQTFH-MRVPVSSYSA-N 0 0 211.217 2.009 20 5 BEBDRN CC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000119307986 384968994 /nfs/dbraw/zinc/96/89/94/384968994.db2.gz YWIFLDBJBJQGAB-UHFFFAOYSA-N 0 0 246.266 2.284 20 5 BEBDRN C/C=C(\C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000175825649 384979647 /nfs/dbraw/zinc/97/96/47/384979647.db2.gz KDDDCIUUDYAAEY-YCRREMRBSA-N 0 0 234.255 2.177 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC1CC1 ZINC000081021376 385009166 /nfs/dbraw/zinc/00/91/66/385009166.db2.gz RZZPEECXYFWTFY-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CC=CC2)nc1 ZINC000131103015 385079454 /nfs/dbraw/zinc/07/94/54/385079454.db2.gz LFSYIUPXIFEMFY-UHFFFAOYSA-N 0 0 205.217 2.120 20 5 BEBDRN CCO[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000381495070 385082470 /nfs/dbraw/zinc/08/24/70/385082470.db2.gz MAPGEANKSRNWJM-GHMZBOCLSA-N 0 0 222.244 2.184 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2cccnn2)c(F)c1 ZINC000236139782 385029880 /nfs/dbraw/zinc/02/98/80/385029880.db2.gz JTGGEYCSCFJFIE-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN Cc1nn(C)c(NCC2CC(C)C2)c1[N+](=O)[O-] ZINC000598642876 385038732 /nfs/dbraw/zinc/03/87/32/385038732.db2.gz IBROMHLASAXSIJ-UHFFFAOYSA-N 0 0 238.291 2.095 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1NCCCCO ZINC000236504949 385144048 /nfs/dbraw/zinc/14/40/48/385144048.db2.gz RVEXDRKXXVGYFX-UHFFFAOYSA-N 0 0 244.678 2.433 20 5 BEBDRN CN(CC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000263873603 385156229 /nfs/dbraw/zinc/15/62/29/385156229.db2.gz URIJSIGVORSJIJ-UHFFFAOYSA-N 0 0 239.275 2.041 20 5 BEBDRN C[C@@H](CCCO)Nc1c(F)cccc1[N+](=O)[O-] ZINC000287785218 385236367 /nfs/dbraw/zinc/23/63/67/385236367.db2.gz IUQOFUXABGRIQD-QMMMGPOBSA-N 0 0 242.250 2.307 20 5 BEBDRN C[C@H](CO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000196202968 385239522 /nfs/dbraw/zinc/23/95/22/385239522.db2.gz MTFGKURJGLTWMC-ZCFIWIBFSA-N 0 0 230.651 2.041 20 5 BEBDRN Cc1sc(C(=O)N2CC(C)C2)cc1[N+](=O)[O-] ZINC000334143975 385313830 /nfs/dbraw/zinc/31/38/30/385313830.db2.gz GOILQLATEHXERO-UHFFFAOYSA-N 0 0 240.284 2.057 20 5 BEBDRN CC/C=C\CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000452610751 385345555 /nfs/dbraw/zinc/34/55/55/385345555.db2.gz GRWKMZRQZIFCAY-ARJAWSKDSA-N 0 0 240.284 2.352 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C)C2)n1 ZINC000408171741 385604148 /nfs/dbraw/zinc/60/41/48/385604148.db2.gz NGUHHDLGVKZCDS-MRVPVSSYSA-N 0 0 235.287 2.453 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2[C@@H]3CCC[C@@H]32)s1 ZINC000336650933 385612664 /nfs/dbraw/zinc/61/26/64/385612664.db2.gz RFRGYTJFGZBUJU-BDINMYNLSA-N 0 0 225.273 2.262 20 5 BEBDRN CC[C@@H]1C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000452763185 385664734 /nfs/dbraw/zinc/66/47/34/385664734.db2.gz CQHKFDVCQBVRCY-KOLCDFICSA-N 0 0 248.282 2.371 20 5 BEBDRN CCOCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000264592990 385638242 /nfs/dbraw/zinc/63/82/42/385638242.db2.gz FZOWHYOGANLCRL-UHFFFAOYSA-N 0 0 249.226 2.181 20 5 BEBDRN Cc1ccc(NC[C@@H](O)C(C)C)c([N+](=O)[O-])c1 ZINC000159607426 385686335 /nfs/dbraw/zinc/68/63/35/385686335.db2.gz GSXBIXZUCRTEJC-GFCCVEGCSA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1ccc(NC[C@H](O)C(C)C)c([N+](=O)[O-])c1 ZINC000159607272 385687239 /nfs/dbraw/zinc/68/72/39/385687239.db2.gz GSXBIXZUCRTEJC-LBPRGKRZSA-N 0 0 238.287 2.332 20 5 BEBDRN CCN(CC1CC1)c1ncccc1[N+](=O)[O-] ZINC000264879945 385688804 /nfs/dbraw/zinc/68/88/04/385688804.db2.gz QTIVPZDVKHRSDV-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN CN(c1ncc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000265595274 385693697 /nfs/dbraw/zinc/69/36/97/385693697.db2.gz YRZNJUBEFCJFNF-UHFFFAOYSA-N 0 0 227.651 2.242 20 5 BEBDRN Cc1cnc(CNc2ccc([N+](=O)[O-])c(C)n2)o1 ZINC000230185902 385717918 /nfs/dbraw/zinc/71/79/18/385717918.db2.gz DOBQBVQDAPHYLU-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CS[C@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000122668904 385713336 /nfs/dbraw/zinc/71/33/36/385713336.db2.gz WEGBGFHBENJGHV-SSDOTTSWSA-N 0 0 227.289 2.153 20 5 BEBDRN COC[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000265763002 385770081 /nfs/dbraw/zinc/77/00/81/385770081.db2.gz BMXQDNDBFBBALM-JTQLQIEISA-N 0 0 236.271 2.068 20 5 BEBDRN CCC1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000453611216 385771517 /nfs/dbraw/zinc/77/15/17/385771517.db2.gz ZYWARYUSAWHAOR-UHFFFAOYSA-N 0 0 226.301 2.498 20 5 BEBDRN C[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])CS1 ZINC000397847055 385724382 /nfs/dbraw/zinc/72/43/82/385724382.db2.gz IQQOKKLIPIIJDS-YUMQZZPRSA-N 0 0 239.300 2.296 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1NCC(F)F ZINC000133624511 385817005 /nfs/dbraw/zinc/81/70/05/385817005.db2.gz QBHCRLAHSZJOSX-UHFFFAOYSA-N 0 0 237.593 2.320 20 5 BEBDRN Cc1c(CNc2ncccn2)cccc1[N+](=O)[O-] ZINC000231868661 385828494 /nfs/dbraw/zinc/82/84/94/385828494.db2.gz WIWUYVSFPSYZRZ-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccon1 ZINC000341925086 385841220 /nfs/dbraw/zinc/84/12/20/385841220.db2.gz GPPDDAOBXOQSBN-ZETCQYMHSA-N 0 0 234.215 2.151 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCCC[C@@H](C)O)c1 ZINC000336719698 385852919 /nfs/dbraw/zinc/85/29/19/385852919.db2.gz RSEFYLXMDSCENG-SNVBAGLBSA-N 0 0 239.271 2.443 20 5 BEBDRN Cc1nonc1COc1cccc([N+](=O)[O-])c1C ZINC000265046569 385906564 /nfs/dbraw/zinc/90/65/64/385906564.db2.gz XRDQOHSPBZNEEL-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN C[C@H](NC(=O)C1=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000355833053 385879927 /nfs/dbraw/zinc/87/99/27/385879927.db2.gz QLFUBVPOUVHAEL-VIFPVBQESA-N 0 0 246.266 2.492 20 5 BEBDRN Cc1o[nH]c(=NCc2ccc([N+](=O)[O-])cc2)c1C ZINC000453054549 385933892 /nfs/dbraw/zinc/93/38/92/385933892.db2.gz XUINPWCRNXNCDK-UHFFFAOYSA-N 0 0 247.254 2.234 20 5 BEBDRN CCC[C@H](CNc1ncccc1[N+](=O)[O-])OC ZINC000293676808 385933955 /nfs/dbraw/zinc/93/39/55/385933955.db2.gz MXBUCPUGDGMFLW-SECBINFHSA-N 0 0 239.275 2.217 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2O)s1 ZINC000309520440 386048969 /nfs/dbraw/zinc/04/89/69/386048969.db2.gz BFWSXRUJASGGFR-JGVFFNPUSA-N 0 0 242.300 2.372 20 5 BEBDRN CCN(CC)c1ncc([N+](=O)[O-])cc1Cl ZINC000267125833 386107559 /nfs/dbraw/zinc/10/75/59/386107559.db2.gz UZPHQVHZYLRFFH-UHFFFAOYSA-N 0 0 229.667 2.489 20 5 BEBDRN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000293899625 386099979 /nfs/dbraw/zinc/09/99/79/386099979.db2.gz BWVDPGUTDIIVJD-ZJUUUORDSA-N 0 0 248.282 2.004 20 5 BEBDRN Cc1cc(COc2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000571776491 386215406 /nfs/dbraw/zinc/21/54/06/386215406.db2.gz DXSJGEPKBKOIRL-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN CC[C@](C)(O)CNc1cccc(C)c1[N+](=O)[O-] ZINC000218848453 386249722 /nfs/dbraw/zinc/24/97/22/386249722.db2.gz STUKDRWFMAHWFS-LBPRGKRZSA-N 0 0 238.287 2.476 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2(CO)CCCC2)cc1 ZINC000053070874 386288668 /nfs/dbraw/zinc/28/86/68/386288668.db2.gz MLWHLJGCEVBSHO-UHFFFAOYSA-N 0 0 236.271 2.312 20 5 BEBDRN CC[C@@H](CO)N(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000294112019 386388352 /nfs/dbraw/zinc/38/83/52/386388352.db2.gz NFKIIFPKCHQNCH-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN CO[C@@H](C)[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000229376673 386459605 /nfs/dbraw/zinc/45/96/05/386459605.db2.gz CIWSEOFOWMESKK-IUCAKERBSA-N 0 0 224.260 2.430 20 5 BEBDRN Cc1nocc1CNCc1ccccc1[N+](=O)[O-] ZINC000294249192 386646035 /nfs/dbraw/zinc/64/60/35/386646035.db2.gz UMQXBUXHFZEGHR-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN CCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229561367 386607081 /nfs/dbraw/zinc/60/70/81/386607081.db2.gz CDPAUGRCZDMXNY-UHFFFAOYSA-N 0 0 212.180 2.082 20 5 BEBDRN Cc1c(OCc2ccon2)cccc1[N+](=O)[O-] ZINC000357655579 386709745 /nfs/dbraw/zinc/70/97/45/386709745.db2.gz MNZXYVDSGIGNEP-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN Cc1ccc(N(C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000266951267 386737780 /nfs/dbraw/zinc/73/77/80/386737780.db2.gz FHDYBVCWNDRQPO-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1ccc(N(C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000266951264 386737997 /nfs/dbraw/zinc/73/79/97/386737997.db2.gz FHDYBVCWNDRQPO-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN O=[N+]([O-])c1ccc2[nH]c(N3CCCCO3)nc2c1 ZINC000294954186 386722173 /nfs/dbraw/zinc/72/21/73/386722173.db2.gz KNBFNBQTPIUYRK-UHFFFAOYSA-N 0 0 248.242 2.003 20 5 BEBDRN O=[N+]([O-])c1cccc(OCC2CCOCC2)c1 ZINC000073969139 386747953 /nfs/dbraw/zinc/74/79/53/386747953.db2.gz SMUITNSSWKUJMY-UHFFFAOYSA-N 0 0 237.255 2.400 20 5 BEBDRN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000088121872 386830322 /nfs/dbraw/zinc/83/03/22/386830322.db2.gz AFGXSZFDAXFRAW-UHFFFAOYSA-N 0 0 233.582 2.174 20 5 BEBDRN CC[C@H]1CCC[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000268285424 386954822 /nfs/dbraw/zinc/95/48/22/386954822.db2.gz XHBHNEMSOHRBPO-DTWKUNHWSA-N 0 0 238.291 2.319 20 5 BEBDRN O=[N+]([O-])c1ncn(CCCCc2ccccc2)n1 ZINC000186592487 387011383 /nfs/dbraw/zinc/01/13/83/387011383.db2.gz RHAGQJXIJCHMRE-UHFFFAOYSA-N 0 0 246.270 2.209 20 5 BEBDRN O=[N+]([O-])c1cn(Cc2cccnc2)nc1C1CC1 ZINC000185166981 387011504 /nfs/dbraw/zinc/01/15/04/387011504.db2.gz QHQOSCHISQJPBN-UHFFFAOYSA-N 0 0 244.254 2.112 20 5 BEBDRN O=[N+]([O-])c1ccc(Cn2cccn2)c(Cl)c1 ZINC000111549570 387082145 /nfs/dbraw/zinc/08/21/45/387082145.db2.gz HDYRERDYSLIEJK-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN CO[C@H](C)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000224322377 387126443 /nfs/dbraw/zinc/12/64/43/387126443.db2.gz KIOMKXVNEVRVJS-SECBINFHSA-N 0 0 224.260 2.350 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@H]1CCC[C@@H]1O ZINC000089166888 387182848 /nfs/dbraw/zinc/18/28/48/387182848.db2.gz XPJJQRVCBDLFQS-SKDRFNHKSA-N 0 0 236.271 2.168 20 5 BEBDRN CSCCOc1ccccc1[N+](=O)[O-] ZINC000058853514 387197217 /nfs/dbraw/zinc/19/72/17/387197217.db2.gz IDFPUOOEYSFBIV-UHFFFAOYSA-N 0 0 213.258 2.337 20 5 BEBDRN CO[C@@H](C)COc1ccc([N+](=O)[O-])c(F)c1F ZINC000296077053 387348577 /nfs/dbraw/zinc/34/85/77/387348577.db2.gz VSBHMGRPUVEPQF-LURJTMIESA-N 0 0 247.197 2.287 20 5 BEBDRN C[C@H]1CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000192761057 387431650 /nfs/dbraw/zinc/43/16/50/387431650.db2.gz VGHWKMXDCPSMIO-VIFPVBQESA-N 0 0 235.287 2.413 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1N1C[C@@H](F)[C@@H](F)C1 ZINC000294910290 387441723 /nfs/dbraw/zinc/44/17/23/387441723.db2.gz FQXRBNOCNUSGTM-OCAPTIKFSA-N 0 0 246.188 2.230 20 5 BEBDRN CN(CC1CC1)c1cc(N)ccc1[N+](=O)[O-] ZINC000192781099 387457856 /nfs/dbraw/zinc/45/78/56/387457856.db2.gz KKIJATCPWFVKPP-UHFFFAOYSA-N 0 0 221.260 2.023 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2C[C@H]3CCC[C@@H]3C2)c1 ZINC000192799490 387507419 /nfs/dbraw/zinc/50/74/19/387507419.db2.gz PGOWPUABCMHKSH-NXEZZACHSA-N 0 0 247.298 2.413 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(SC[C@H](C)CO)n1 ZINC000088036479 387526632 /nfs/dbraw/zinc/52/66/32/387526632.db2.gz BPCNAPBIDBGVPB-SSDOTTSWSA-N 0 0 242.300 2.019 20 5 BEBDRN CSCCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000088036167 387526976 /nfs/dbraw/zinc/52/69/76/387526976.db2.gz XKFXSNYZLURWCX-UHFFFAOYSA-N 0 0 241.316 2.463 20 5 BEBDRN C[C@H](CCCCO)Nc1ncc([N+](=O)[O-])s1 ZINC000295894529 387480188 /nfs/dbraw/zinc/48/01/88/387480188.db2.gz BXMJVEPQPVBHMI-SSDOTTSWSA-N 0 0 245.304 2.014 20 5 BEBDRN C[C@H](NCc1ccno1)c1ccccc1[N+](=O)[O-] ZINC000224009508 387545201 /nfs/dbraw/zinc/54/52/01/387545201.db2.gz UQWTVSICUWRBOL-VIFPVBQESA-N 0 0 247.254 2.434 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2CCCC2)c(F)c1 ZINC000520192250 387666016 /nfs/dbraw/zinc/66/60/16/387666016.db2.gz XVWPCOYDGXVZIP-UHFFFAOYSA-N 0 0 225.223 2.483 20 5 BEBDRN Cc1nc(N(C)[C@@H](C)C(C)C)ncc1[N+](=O)[O-] ZINC000296288260 387785376 /nfs/dbraw/zinc/78/53/76/387785376.db2.gz HPIHWBXJYKWTRE-VIFPVBQESA-N 0 0 238.291 2.174 20 5 BEBDRN Cc1cc(C)c(O[C@H](C)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000094654923 177869128 /nfs/dbraw/zinc/86/91/28/177869128.db2.gz BPXRJBNIYNWTQA-NXEZZACHSA-N 0 0 239.271 2.360 20 5 BEBDRN C[C@@H](CNc1c([N+](=O)[O-])ncn1C)CC(F)F ZINC000591965988 388144625 /nfs/dbraw/zinc/14/46/25/388144625.db2.gz VTNOWAYPIZEPRX-ZCFIWIBFSA-N 0 0 248.233 2.032 20 5 BEBDRN CCN(CCSC)c1ncc([N+](=O)[O-])s1 ZINC000591999845 388145248 /nfs/dbraw/zinc/14/52/48/388145248.db2.gz OKINYLLMPKBTJU-UHFFFAOYSA-N 0 0 247.345 2.241 20 5 BEBDRN CN(c1ncccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000302870877 388346613 /nfs/dbraw/zinc/34/66/13/388346613.db2.gz YRRMDFNMMUYMID-VIFPVBQESA-N 0 0 221.260 2.225 20 5 BEBDRN CN(c1ncccc1[N+](=O)[O-])C1CCCC1 ZINC000193418547 388346804 /nfs/dbraw/zinc/34/68/04/388346804.db2.gz ATNUKARQDHGUAE-UHFFFAOYSA-N 0 0 221.260 2.369 20 5 BEBDRN C[C@@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000193432606 388348558 /nfs/dbraw/zinc/34/85/58/388348558.db2.gz UHVNMMXYVVZISN-MRVPVSSYSA-N 0 0 227.285 2.209 20 5 BEBDRN Cc1cc(NC[C@@H](O)C2CC2)c([N+](=O)[O-])s1 ZINC000596111969 388404624 /nfs/dbraw/zinc/40/46/24/388404624.db2.gz FYKDZWRCITZQJY-SECBINFHSA-N 0 0 242.300 2.148 20 5 BEBDRN C/C=C/C=C\C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000491827182 388351523 /nfs/dbraw/zinc/35/15/23/388351523.db2.gz DLJLHRCVYAJTPP-HOJFPOIOSA-N 0 0 246.266 2.343 20 5 BEBDRN Cc1ccc(N[C@H](C)c2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000226500215 388351729 /nfs/dbraw/zinc/35/17/29/388351729.db2.gz OCQMHDBCESQYEJ-MRVPVSSYSA-N 0 0 247.258 2.194 20 5 BEBDRN CC[C@@H](F)CSCCn1cc([N+](=O)[O-])cn1 ZINC000442535705 388354446 /nfs/dbraw/zinc/35/44/46/388354446.db2.gz BJCPHJLBFPHMJI-MRVPVSSYSA-N 0 0 247.295 2.273 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2CC2)c(Cl)c1 ZINC000227647729 388368950 /nfs/dbraw/zinc/36/89/50/388368950.db2.gz NHIRPIUUTBRWPD-UHFFFAOYSA-N 0 0 213.624 2.218 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccon2)n1 ZINC000353271442 388370204 /nfs/dbraw/zinc/37/02/04/388370204.db2.gz YLIAOIHFQYBVGE-QMMMGPOBSA-N 0 0 248.242 2.459 20 5 BEBDRN O=c1c([N+](=O)[O-])cccn1[C@H]1C=CCCC1 ZINC000171793339 388406153 /nfs/dbraw/zinc/40/61/53/388406153.db2.gz DVUNXHFYHLEQBD-VIFPVBQESA-N 0 0 220.228 2.038 20 5 BEBDRN Cc1nccc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000356016564 388388255 /nfs/dbraw/zinc/38/82/55/388388255.db2.gz UQSWRSRCPFSQKL-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN CSCCOc1ccc([N+](=O)[O-])cc1F ZINC000134206428 388396347 /nfs/dbraw/zinc/39/63/47/388396347.db2.gz RJXSGUJYUUCNQZ-UHFFFAOYSA-N 0 0 231.248 2.476 20 5 BEBDRN C[C@@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000134384687 388398699 /nfs/dbraw/zinc/39/86/99/388398699.db2.gz YXICDWZYKZTFQT-KWQFWETISA-N 0 0 222.244 2.184 20 5 BEBDRN Cc1ccnc(NCCc2ccc[nH]2)c1[N+](=O)[O-] ZINC000271726793 388399958 /nfs/dbraw/zinc/39/99/58/388399958.db2.gz MQPQKSMYECNCLD-UHFFFAOYSA-N 0 0 246.270 2.281 20 5 BEBDRN C[C@H](NC(=O)N1CCC1)c1ccccc1[N+](=O)[O-] ZINC000271764635 388402859 /nfs/dbraw/zinc/40/28/59/388402859.db2.gz WHRHRSCLXSKADT-VIFPVBQESA-N 0 0 249.270 2.071 20 5 BEBDRN CC[C@@](C)(CNc1ccncc1[N+](=O)[O-])OC ZINC000322619609 388440788 /nfs/dbraw/zinc/44/07/88/388440788.db2.gz NCNOPTUNEDANPH-NSHDSACASA-N 0 0 239.275 2.217 20 5 BEBDRN Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000139433019 388458730 /nfs/dbraw/zinc/45/87/30/388458730.db2.gz QCXDHRQRBGKXMP-UHFFFAOYSA-N 0 0 219.200 2.262 20 5 BEBDRN CN(c1ncc([N+](=O)[O-])s1)C1CCCC1 ZINC000195506821 388473729 /nfs/dbraw/zinc/47/37/29/388473729.db2.gz FDJXLBCOMYWOHI-UHFFFAOYSA-N 0 0 227.289 2.430 20 5 BEBDRN Cc1cc(N2CC[C@H]2C(F)F)ncc1[N+](=O)[O-] ZINC000596249003 388410196 /nfs/dbraw/zinc/41/01/96/388410196.db2.gz OUCOZDMUQNTCCC-ZETCQYMHSA-N 0 0 243.213 2.142 20 5 BEBDRN Cc1cc(NCCC(C)(C)F)ncc1[N+](=O)[O-] ZINC000596467450 388415298 /nfs/dbraw/zinc/41/52/98/388415298.db2.gz AOFFCJDISOYWNI-UHFFFAOYSA-N 0 0 241.266 2.270 20 5 BEBDRN O=[N+]([O-])c1cnn(CCSC2CCCC2)c1 ZINC000173922635 388432398 /nfs/dbraw/zinc/43/23/98/388432398.db2.gz KYAGCBDKDSTNDC-UHFFFAOYSA-N 0 0 241.316 2.467 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H](O)C(C)C)c1 ZINC000122887370 388531124 /nfs/dbraw/zinc/53/11/24/388531124.db2.gz LCRMVMDURCVANT-LBPRGKRZSA-N 0 0 238.287 2.332 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(N2CCCO2)c(F)c1 ZINC000273175325 388591184 /nfs/dbraw/zinc/59/11/84/388591184.db2.gz AAICCOOKUFHVRX-UHFFFAOYSA-N 0 0 230.170 2.015 20 5 BEBDRN COCCCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000185165059 256851560 /nfs/dbraw/zinc/85/15/60/256851560.db2.gz OMZNIVRRDCOQRP-UHFFFAOYSA-N 0 0 239.275 2.095 20 5 BEBDRN Cc1c(C(=O)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000298449805 388583046 /nfs/dbraw/zinc/58/30/46/388583046.db2.gz YAOZZNRUHOQQKT-UHFFFAOYSA-N 0 0 234.255 2.138 20 5 BEBDRN CC(C)CCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301857127 388686288 /nfs/dbraw/zinc/68/62/88/388686288.db2.gz ZNNDAFDYHJMEES-UHFFFAOYSA-N 0 0 249.274 2.096 20 5 BEBDRN Cc1ccc(OC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000078353693 388680648 /nfs/dbraw/zinc/68/06/48/388680648.db2.gz MKHBJQKSRORKLN-JTQLQIEISA-N 0 0 237.255 2.461 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@H]2CCCO2)cc1 ZINC000078339538 388680733 /nfs/dbraw/zinc/68/07/33/388680733.db2.gz JXIKEKBKCOHIHX-LLVKDONJSA-N 0 0 223.228 2.153 20 5 BEBDRN O=[N+]([O-])c1ccn(-c2nc3cc(F)ccc3o2)n1 ZINC000114448321 388681785 /nfs/dbraw/zinc/68/17/85/388681785.db2.gz QEPAAWOCAXBXDB-UHFFFAOYSA-N 0 0 248.173 2.061 20 5 BEBDRN CCN(CC(C)(C)O)c1ccccc1[N+](=O)[O-] ZINC000078730251 388683849 /nfs/dbraw/zinc/68/38/49/388683849.db2.gz WEVYABAKJCRUFL-UHFFFAOYSA-N 0 0 238.287 2.192 20 5 BEBDRN CCCCN(c1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000273702827 388629130 /nfs/dbraw/zinc/62/91/30/388629130.db2.gz DAPUWGHUAKEFEO-UHFFFAOYSA-N 0 0 236.275 2.154 20 5 BEBDRN C[C@H](CO)Sc1ccc([N+](=O)[O-])cc1 ZINC000091485305 388632656 /nfs/dbraw/zinc/63/26/56/388632656.db2.gz IIUMLHUFLGIUQI-SSDOTTSWSA-N 0 0 213.258 2.068 20 5 BEBDRN CCc1ccc(OCC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000122842333 388645008 /nfs/dbraw/zinc/64/50/08/388645008.db2.gz SJBOTBDQFFHDCT-SECBINFHSA-N 0 0 239.271 2.307 20 5 BEBDRN CN(CC1CC1)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000275365075 388734806 /nfs/dbraw/zinc/73/48/06/388734806.db2.gz MHEVJHVKAQEHGA-UHFFFAOYSA-N 0 0 247.298 2.409 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC1CCSCC1 ZINC000066811757 388686944 /nfs/dbraw/zinc/68/69/44/388686944.db2.gz JRNIUUKTAGMHKV-UHFFFAOYSA-N 0 0 239.300 2.297 20 5 BEBDRN C[C@@H](CO)SCc1ccc([N+](=O)[O-])cc1 ZINC000079085630 388691506 /nfs/dbraw/zinc/69/15/06/388691506.db2.gz MWBZDIATJIIWGP-QMMMGPOBSA-N 0 0 227.285 2.209 20 5 BEBDRN Cc1cc(C(=O)N2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299684788 388696781 /nfs/dbraw/zinc/69/67/81/388696781.db2.gz UPKGZDLNINRLIH-SECBINFHSA-N 0 0 248.282 2.385 20 5 BEBDRN CO[C@H](C)COc1ccc([N+](=O)[O-])cc1 ZINC000079783324 388699988 /nfs/dbraw/zinc/69/99/88/388699988.db2.gz DCYOHMBHWIASHJ-MRVPVSSYSA-N 0 0 211.217 2.009 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H](O)C2CCC2)cc1 ZINC000315906447 388711460 /nfs/dbraw/zinc/71/14/60/388711460.db2.gz UFOASWDRRAMBFJ-LBPRGKRZSA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1ccsc1NC[C@H]1CCC[C@@H]1O ZINC000301928066 388712625 /nfs/dbraw/zinc/71/26/25/388712625.db2.gz INQNQRVXFNVLAF-APPZFPTMSA-N 0 0 242.300 2.229 20 5 BEBDRN Cn1cc(CNc2sccc2[N+](=O)[O-])cn1 ZINC000301939405 388715866 /nfs/dbraw/zinc/71/58/66/388715866.db2.gz SXCCMYNDDDCNTK-UHFFFAOYSA-N 0 0 238.272 2.002 20 5 BEBDRN Cc1c(NC(=O)[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000068968251 388720041 /nfs/dbraw/zinc/72/00/41/388720041.db2.gz QTKUFAQEGIAFBK-CBAPKCEASA-N 0 0 234.255 2.498 20 5 BEBDRN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)on1 ZINC000012871239 388724633 /nfs/dbraw/zinc/72/46/33/388724633.db2.gz ZAQZNZBKVZHMBP-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN O=[N+]([O-])c1ccc(-n2ccnc2)c2ccncc21 ZINC000070162908 388728474 /nfs/dbraw/zinc/72/84/74/388728474.db2.gz HMHMUDFFZPUZBQ-UHFFFAOYSA-N 0 0 240.222 2.329 20 5 BEBDRN Cc1nccn1CCc1ccc([N+](=O)[O-])cc1 ZINC000070164327 388728598 /nfs/dbraw/zinc/72/85/98/388728598.db2.gz DHUIXCUVKWSTIR-UHFFFAOYSA-N 0 0 231.255 2.342 20 5 BEBDRN CC(=O)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000431481003 388731353 /nfs/dbraw/zinc/73/13/53/388731353.db2.gz GIXABEJRSJMCRA-UHFFFAOYSA-N 0 0 245.238 2.042 20 5 BEBDRN CO[C@@H](C)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000282232498 388813718 /nfs/dbraw/zinc/81/37/18/388813718.db2.gz PHGVDLCZXSQVCW-QMMMGPOBSA-N 0 0 239.275 2.014 20 5 BEBDRN CO[C@@H](CNc1ncc([N+](=O)[O-])s1)C(C)C ZINC000281843841 388808177 /nfs/dbraw/zinc/80/81/77/388808177.db2.gz IYZOHVDDEUCJPV-ZETCQYMHSA-N 0 0 245.304 2.134 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1N1CCCO1 ZINC000279562206 388769610 /nfs/dbraw/zinc/76/96/10/388769610.db2.gz XSTDNJFSBIDCAH-UHFFFAOYSA-N 0 0 228.635 2.390 20 5 BEBDRN C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCF ZINC000281019336 388788907 /nfs/dbraw/zinc/78/89/07/388788907.db2.gz MDSFLSBCWWLKQV-SNVBAGLBSA-N 0 0 240.278 2.475 20 5 BEBDRN CC1(C)C[C@@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282319841 388814555 /nfs/dbraw/zinc/81/45/55/388814555.db2.gz ZIBFMCVXAPIMOM-JTQLQIEISA-N 0 0 221.260 2.387 20 5 BEBDRN CC(C)[C@@](C)(O)CNc1sccc1[N+](=O)[O-] ZINC000302026808 388835562 /nfs/dbraw/zinc/83/55/62/388835562.db2.gz QNIJZBMLXUDYRO-JTQLQIEISA-N 0 0 244.316 2.475 20 5 BEBDRN CCOc1cc(N2CCCO2)ccc1[N+](=O)[O-] ZINC000302137605 388839034 /nfs/dbraw/zinc/83/90/34/388839034.db2.gz NJDCWPOQGAIATL-UHFFFAOYSA-N 0 0 238.243 2.135 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2(CO)CCC2)cc1 ZINC000302185353 388839331 /nfs/dbraw/zinc/83/93/31/388839331.db2.gz TYDARUHRXVPERS-UHFFFAOYSA-N 0 0 236.271 2.169 20 5 BEBDRN CCN(CC(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000302161454 388839401 /nfs/dbraw/zinc/83/94/01/388839401.db2.gz YKRYTCOAKGPIEM-UHFFFAOYSA-N 0 0 231.202 2.081 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N1CCO[C@H](C)C1 ZINC000263698774 132177487 /nfs/dbraw/zinc/17/74/87/132177487.db2.gz FKJUTJIJZGWOAV-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CCO[C@H]2CCC[C@H]21 ZINC000267326228 132189554 /nfs/dbraw/zinc/18/95/54/132189554.db2.gz ZVQKFGTZPUEVNY-OLZOCXBDSA-N 0 0 248.282 2.353 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CCOC2(CCC2)C1 ZINC000270754037 132197547 /nfs/dbraw/zinc/19/75/47/132197547.db2.gz BGBDTYQIPXDHLS-UHFFFAOYSA-N 0 0 248.282 2.354 20 5 BEBDRN C[C@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000270988079 132198503 /nfs/dbraw/zinc/19/85/03/132198503.db2.gz UAGUQGKWAFESSO-VHSXEESVSA-N 0 0 235.287 2.472 20 5 BEBDRN C[C@@H]1CC[C@@H](C)N(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273633141 132202264 /nfs/dbraw/zinc/20/22/64/132202264.db2.gz QPTYJZSUUQHKLZ-RKDXNWHRSA-N 0 0 236.275 2.010 20 5 BEBDRN Cc1cnc(N2CCC=C(F)C2)c([N+](=O)[O-])c1 ZINC000274286899 132202474 /nfs/dbraw/zinc/20/24/74/132202474.db2.gz JKKQGCFVEGEJPQ-UHFFFAOYSA-N 0 0 237.234 2.362 20 5 BEBDRN Cc1cc(N2CCC(=O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000275407749 132204695 /nfs/dbraw/zinc/20/46/95/132204695.db2.gz RZSMXFVDRZFWSW-SNVBAGLBSA-N 0 0 248.282 2.319 20 5 BEBDRN CC1=CCCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000282260282 132211811 /nfs/dbraw/zinc/21/18/11/132211811.db2.gz NRRZWXZGNDOWIH-UHFFFAOYSA-N 0 0 233.271 2.333 20 5 BEBDRN CC1=CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000287691938 132216113 /nfs/dbraw/zinc/21/61/13/132216113.db2.gz JWOUPRFNZNUTHR-UHFFFAOYSA-N 0 0 233.271 2.333 20 5 BEBDRN Cc1nc(N2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000296540286 132221422 /nfs/dbraw/zinc/22/14/22/132221422.db2.gz NWEHPOBFQQIMGD-MRVPVSSYSA-N 0 0 236.275 2.072 20 5 BEBDRN CC1=CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000340861965 132225467 /nfs/dbraw/zinc/22/54/67/132225467.db2.gz FCFRCMBLOBVTBX-UHFFFAOYSA-N 0 0 219.244 2.146 20 5 BEBDRN CC1=C[C@@H](C)CN(c2ncccc2[N+](=O)[O-])C1 ZINC000362373181 132280848 /nfs/dbraw/zinc/28/08/48/132280848.db2.gz HOQVRABMMRGHDJ-SECBINFHSA-N 0 0 233.271 2.392 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1N1CCCCN1 ZINC000288826675 132307201 /nfs/dbraw/zinc/30/72/01/132307201.db2.gz BFHUUGCIBCRSHE-UHFFFAOYSA-N 0 0 241.678 2.353 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]1C1CC1 ZINC000334528819 133687270 /nfs/dbraw/zinc/68/72/70/133687270.db2.gz WDJHGJHXRRWAQY-GFCCVEGCSA-N 0 0 246.266 2.219 20 5 BEBDRN Cc1cccc(C(=O)N[C@H]2CC23CC3)c1[N+](=O)[O-] ZINC000335102685 133773981 /nfs/dbraw/zinc/77/39/81/133773981.db2.gz HOKVMNYOBMHFRW-JTQLQIEISA-N 0 0 246.266 2.186 20 5 BEBDRN Cc1noc(-c2c[nH]c3cc([N+](=O)[O-])ccc23)n1 ZINC000349769101 133909561 /nfs/dbraw/zinc/90/95/61/133909561.db2.gz CWYKTEPYVKWJKM-UHFFFAOYSA-N 0 0 244.210 2.435 20 5 BEBDRN C[C@H](F)CCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000349840065 133918419 /nfs/dbraw/zinc/91/84/19/133918419.db2.gz NPEJAEDCOQOHRY-ZETCQYMHSA-N 0 0 227.239 2.417 20 5 BEBDRN O=[N+]([O-])c1ccccc1S[C@H]1CCOC1 ZINC000336099996 134081418 /nfs/dbraw/zinc/08/14/18/134081418.db2.gz MCAMPNHQCMQCGD-QMMMGPOBSA-N 0 0 225.269 2.476 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@@H]2CCCCO2)s1 ZINC000226771555 134370683 /nfs/dbraw/zinc/37/06/83/134370683.db2.gz OFZKXCWYFCRPLF-ZETCQYMHSA-N 0 0 243.288 2.032 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](F)C1 ZINC000408106188 134393352 /nfs/dbraw/zinc/39/33/52/134393352.db2.gz JZSNHTLZNFUZIR-SECBINFHSA-N 0 0 239.250 2.237 20 5 BEBDRN Cc1nc(N2CCC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000408104983 134393501 /nfs/dbraw/zinc/39/35/01/134393501.db2.gz GRYUJJDJFBWIPQ-SECBINFHSA-N 0 0 239.250 2.237 20 5 BEBDRN Cc1cc(N[C@@H](C)C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000228133933 134408952 /nfs/dbraw/zinc/40/89/52/134408952.db2.gz TYNLLDHQLVRBHE-VHSXEESVSA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(C)cc1OCC(C)(C)O ZINC000062998410 134474167 /nfs/dbraw/zinc/47/41/67/134474167.db2.gz RZCFMMSFZDQVEZ-UHFFFAOYSA-N 0 0 239.271 2.361 20 5 BEBDRN Cc1nc(NC(=O)C2=CCCC2)ccc1[N+](=O)[O-] ZINC000133909065 134695825 /nfs/dbraw/zinc/69/58/25/134695825.db2.gz IDQHRIOQPWJZBP-UHFFFAOYSA-N 0 0 247.254 2.347 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCC[C@H](C)O ZINC000134064862 134700461 /nfs/dbraw/zinc/70/04/61/134700461.db2.gz WGLUUAIZMCDISW-VIFPVBQESA-N 0 0 225.244 2.053 20 5 BEBDRN CC(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000079018954 135266437 /nfs/dbraw/zinc/26/64/37/135266437.db2.gz CVOAOSZQPXVFFT-UHFFFAOYSA-N 0 0 246.169 2.155 20 5 BEBDRN CN(C)c1nc(-c2cc([N+](=O)[O-])c[nH]2)cs1 ZINC000342420084 135267861 /nfs/dbraw/zinc/26/78/61/135267861.db2.gz ADRIPLYPKRCGOT-UHFFFAOYSA-N 0 0 238.272 2.112 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCCC1(O)CCC1 ZINC000343161382 135363833 /nfs/dbraw/zinc/36/38/33/135363833.db2.gz NEHGMIHUMLPZOR-UHFFFAOYSA-N 0 0 236.271 2.312 20 5 BEBDRN C[C@H]1CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000334381274 135379316 /nfs/dbraw/zinc/37/93/16/135379316.db2.gz JHTSJMJVZXNQNC-NKWVEPMBSA-N 0 0 240.284 2.185 20 5 BEBDRN COC(C)(C)CNc1ncc([N+](=O)[O-])cc1C ZINC000078471031 135394026 /nfs/dbraw/zinc/39/40/26/135394026.db2.gz WFUKPRCMCYVUGU-UHFFFAOYSA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1cc(C(=O)N[C@@H]2CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000334457262 135415404 /nfs/dbraw/zinc/41/54/04/135415404.db2.gz OYYCEFQIQFTOKT-LDYMZIIASA-N 0 0 248.282 2.432 20 5 BEBDRN CCC1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000334498426 135451401 /nfs/dbraw/zinc/45/14/01/135451401.db2.gz ODQZREXEBLMGDV-UHFFFAOYSA-N 0 0 249.270 2.469 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CCC[C@H]1C(F)F ZINC000343922318 135710930 /nfs/dbraw/zinc/71/09/30/135710930.db2.gz TZXBIDSCGKJBIQ-ZETCQYMHSA-N 0 0 243.213 2.224 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1C[C@@H]2C[C@H]1CS2 ZINC000334816837 135831918 /nfs/dbraw/zinc/83/19/18/135831918.db2.gz BZKHYOOFKHGOSE-IUCAKERBSA-N 0 0 236.296 2.289 20 5 BEBDRN CN(Cc1ccoc1)c1ccc([N+](=O)[O-])nc1 ZINC000345218026 135891925 /nfs/dbraw/zinc/89/19/25/135891925.db2.gz MLGLPWPJORUVGH-UHFFFAOYSA-N 0 0 233.227 2.219 20 5 BEBDRN C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000335179280 135933839 /nfs/dbraw/zinc/93/38/39/135933839.db2.gz XYBIBUIXLQMFJQ-MWLCHTKSSA-N 0 0 238.218 2.281 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[C@@H]1C ZINC000335289967 135997829 /nfs/dbraw/zinc/99/78/29/135997829.db2.gz OHRNNGYPUBLABK-WPRPVWTQSA-N 0 0 248.282 2.432 20 5 BEBDRN CCOC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000113538618 136003155 /nfs/dbraw/zinc/00/31/55/136003155.db2.gz VKQGJFDISDTXBD-UHFFFAOYSA-N 0 0 239.227 2.089 20 5 BEBDRN CSCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000348028672 136026685 /nfs/dbraw/zinc/02/66/85/136026685.db2.gz ZUAYCOXGQRGOTL-UHFFFAOYSA-N 0 0 244.247 2.035 20 5 BEBDRN O=c1c2ccc([N+](=O)[O-])cc2ccn1CC1CC1 ZINC000335341348 136064437 /nfs/dbraw/zinc/06/44/37/136064437.db2.gz IRQJJLNCWBFFPB-UHFFFAOYSA-N 0 0 244.250 2.320 20 5 BEBDRN CC1(CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000348703341 136116208 /nfs/dbraw/zinc/11/62/08/136116208.db2.gz XQDDIAAWAFNWJE-UHFFFAOYSA-N 0 0 238.243 2.108 20 5 BEBDRN CO[C@H](C)CN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000286669284 398099896 /nfs/dbraw/zinc/09/98/96/398099896.db2.gz XPKKKOZKIPVUOT-SNVBAGLBSA-N 0 0 238.287 2.374 20 5 BEBDRN CC(C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000132516289 167047171 /nfs/dbraw/zinc/04/71/71/167047171.db2.gz MFXORLVJWNSQTR-UHFFFAOYSA-N 0 0 236.271 2.052 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(Nc2ccc(F)cc2)n1 ZINC001651300344 1172942814 /nfs/dbraw/zinc/94/28/14/1172942814.db2.gz BHHCXQLXCIMXPU-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN C[C@@H]1OCC[C@H]1COc1ccsc1[N+](=O)[O-] ZINC001651990877 1173022462 /nfs/dbraw/zinc/02/24/62/1173022462.db2.gz LXVOESRFRIDIHF-YUMQZZPRSA-N 0 0 243.284 2.460 20 5 BEBDRN CC(=O)c1ccc(N(C)C2CC2)c([N+](=O)[O-])c1 ZINC000037023727 166462235 /nfs/dbraw/zinc/46/22/35/166462235.db2.gz YISJHGMFQUJRQN-UHFFFAOYSA-N 0 0 234.255 2.396 20 5 BEBDRN CC(C)C(=O)CSc1ncccc1[N+](=O)[O-] ZINC000170965164 166702655 /nfs/dbraw/zinc/70/26/55/166702655.db2.gz SBXHNVQACIGZGE-UHFFFAOYSA-N 0 0 240.284 2.307 20 5 BEBDRN CC(C)CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000340682334 166810674 /nfs/dbraw/zinc/81/06/74/166810674.db2.gz MYOVDENPODUELC-UHFFFAOYSA-N 0 0 239.275 2.089 20 5 BEBDRN CC(C)CN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000248112449 166937666 /nfs/dbraw/zinc/93/76/66/166937666.db2.gz KPFHXRNFKUBTNR-UHFFFAOYSA-N 0 0 236.271 2.323 20 5 BEBDRN CC(C)NC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000128123638 167086185 /nfs/dbraw/zinc/08/61/85/167086185.db2.gz HVJRGQDMYIYKJM-UHFFFAOYSA-N 0 0 244.197 2.011 20 5 BEBDRN CC(C)[C@@H](C)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000298471022 167370119 /nfs/dbraw/zinc/37/01/19/167370119.db2.gz PPQQSFUWAINFFP-SECBINFHSA-N 0 0 223.276 2.471 20 5 BEBDRN CC1(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000336347860 167874458 /nfs/dbraw/zinc/87/44/58/167874458.db2.gz GXDKSQRSFOWJRW-UHFFFAOYSA-N 0 0 238.218 2.473 20 5 BEBDRN CC1(C)[C@@H](O)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000129277113 168001549 /nfs/dbraw/zinc/00/15/49/168001549.db2.gz FMMQVQPAFRPCTD-QWRGUYRKSA-N 0 0 236.271 2.166 20 5 BEBDRN CC1(CNc2ccc([N+](=O)[O-])cc2)COC1 ZINC000226485724 168048407 /nfs/dbraw/zinc/04/84/07/168048407.db2.gz CJTOXNVHQAQCJT-UHFFFAOYSA-N 0 0 222.244 2.043 20 5 BEBDRN CC1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000357565345 168031440 /nfs/dbraw/zinc/03/14/40/168031440.db2.gz YGQZZFNKDPZADZ-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN CC1(CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000357259934 168037984 /nfs/dbraw/zinc/03/79/84/168037984.db2.gz XNRIQLATQSZGQB-UHFFFAOYSA-N 0 0 234.255 2.125 20 5 BEBDRN CCC(=O)COc1cc([N+](=O)[O-])ccc1C ZINC000050181596 168209452 /nfs/dbraw/zinc/20/94/52/168209452.db2.gz GWBLRENMRXWLFW-UHFFFAOYSA-N 0 0 223.228 2.261 20 5 BEBDRN CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000129570021 168214253 /nfs/dbraw/zinc/21/42/53/168214253.db2.gz OWPFSNNFTHYWKQ-UHFFFAOYSA-N 0 0 248.282 2.496 20 5 BEBDRN CCN(CCOC)c1ccc([N+](=O)[O-])cc1 ZINC000299157063 169867809 /nfs/dbraw/zinc/86/78/09/169867809.db2.gz PCQCKCJBFRHXGO-UHFFFAOYSA-N 0 0 224.260 2.068 20 5 BEBDRN CN(CC1CC1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000266885479 411418485 /nfs/dbraw/zinc/41/84/85/411418485.db2.gz YZLCANRHAOYHJY-UHFFFAOYSA-N 0 0 239.250 2.162 20 5 BEBDRN CCN(c1ccc([N+](=O)[O-])c(C)c1)[C@@H](C)CO ZINC000292652592 169942669 /nfs/dbraw/zinc/94/26/69/169942669.db2.gz BVQSLQDTVWOEFH-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887943 170171551 /nfs/dbraw/zinc/17/15/51/170171551.db2.gz IDHWQPNKUBSFFL-UHFFFAOYSA-N 0 0 202.160 2.305 20 5 BEBDRN CCNc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000268262721 170172781 /nfs/dbraw/zinc/17/27/81/170172781.db2.gz ZQMNEACLMSGEPL-UHFFFAOYSA-N 0 0 214.196 2.174 20 5 BEBDRN CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286971216 170178653 /nfs/dbraw/zinc/17/86/53/170178653.db2.gz NNHAJZAWVDZLHE-UHFFFAOYSA-N 0 0 224.245 2.031 20 5 BEBDRN CC[C@@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147529 170747561 /nfs/dbraw/zinc/74/75/61/170747561.db2.gz JFOKUZIQEBCZNQ-SECBINFHSA-N 0 0 236.271 2.432 20 5 BEBDRN CC[C@@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299134905 170771637 /nfs/dbraw/zinc/77/16/37/170771637.db2.gz GDDPGSRVULZPPA-HTQZYQBOSA-N 0 0 239.275 2.087 20 5 BEBDRN CC[C@@H](CCO)Nc1ccccc1[N+](=O)[O-] ZINC000077232671 170821382 /nfs/dbraw/zinc/82/13/82/170821382.db2.gz GQGFIWOJJQQNAR-VIFPVBQESA-N 0 0 224.260 2.168 20 5 BEBDRN CC[C@@H](O)CCNc1c(C)cccc1[N+](=O)[O-] ZINC000127230195 170925715 /nfs/dbraw/zinc/92/57/15/170925715.db2.gz HDQMTGPXJVRYEF-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000131660204 171008703 /nfs/dbraw/zinc/00/87/03/171008703.db2.gz AMAKVCFJFZXOSI-SNVBAGLBSA-N 0 0 248.282 2.467 20 5 BEBDRN CC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000130945723 171009237 /nfs/dbraw/zinc/00/92/37/171009237.db2.gz YEYFJBFNPVTPQZ-SNVBAGLBSA-N 0 0 248.282 2.467 20 5 BEBDRN CC[C@@H]1CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000292213837 171027635 /nfs/dbraw/zinc/02/76/35/171027635.db2.gz HPTRNOQLMUDZEW-SECBINFHSA-N 0 0 221.260 2.287 20 5 BEBDRN CC[C@@H]1CC[C@H](C)N1c1ncc([N+](=O)[O-])cn1 ZINC000274007934 171056782 /nfs/dbraw/zinc/05/67/82/171056782.db2.gz UMEJIVHARQLPMF-DTWKUNHWSA-N 0 0 236.275 2.152 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000281931462 171134341 /nfs/dbraw/zinc/13/43/41/171134341.db2.gz ZVSQJQADSLWGCW-ZYHUDNBSSA-N 0 0 248.282 2.052 20 5 BEBDRN CC[C@@H]1C[C@H]1Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000288309031 171141568 /nfs/dbraw/zinc/14/15/68/171141568.db2.gz CIDJEJAISHIHTE-RKDXNWHRSA-N 0 0 238.291 2.330 20 5 BEBDRN CC[C@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147530 171336444 /nfs/dbraw/zinc/33/64/44/171336444.db2.gz JFOKUZIQEBCZNQ-VIFPVBQESA-N 0 0 236.271 2.432 20 5 BEBDRN CC[C@H](C)[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000042557144 171391513 /nfs/dbraw/zinc/39/15/13/171391513.db2.gz MRXFCQSQWAYTTM-YUMQZZPRSA-N 0 0 240.307 2.483 20 5 BEBDRN CC[C@H](C)[C@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000042556891 171391846 /nfs/dbraw/zinc/39/18/46/171391846.db2.gz WMCVVJKQZLLVHN-YUMQZZPRSA-N 0 0 224.264 2.231 20 5 BEBDRN CC[C@H](CO)N(C)c1ccc(C)cc1[N+](=O)[O-] ZINC000293580641 171445109 /nfs/dbraw/zinc/44/51/09/171445109.db2.gz AQKFNKLJXLGCKA-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN CC[C@H]1CC[C@H](C)N1c1c([N+](=O)[O-])ncn1C ZINC000271437942 171647015 /nfs/dbraw/zinc/64/70/15/171647015.db2.gz NYRVXPRGIDIMMV-IUCAKERBSA-N 0 0 238.291 2.096 20 5 BEBDRN CC[C@](C)(O)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000087029641 171705014 /nfs/dbraw/zinc/70/50/14/171705014.db2.gz FCMWDROERTXNHW-LBPRGKRZSA-N 0 0 238.287 2.476 20 5 BEBDRN CCc1nn(C)c(N[C@H]2CC[C@H]2C)c1[N+](=O)[O-] ZINC000336718892 172038856 /nfs/dbraw/zinc/03/88/56/172038856.db2.gz VMVSXSSUGZKHQJ-APPZFPTMSA-N 0 0 238.291 2.101 20 5 BEBDRN CCc1nn(C)c(NCCC2CC2)c1[N+](=O)[O-] ZINC000091562341 172038981 /nfs/dbraw/zinc/03/89/81/172038981.db2.gz HUXTVMAVBLIEQP-UHFFFAOYSA-N 0 0 238.291 2.103 20 5 BEBDRN CCc1nn(C)c(NCC(C)(C)C)c1[N+](=O)[O-] ZINC000091575877 172039027 /nfs/dbraw/zinc/03/90/27/172039027.db2.gz PKOOLAXDQUPREV-UHFFFAOYSA-N 0 0 240.307 2.349 20 5 BEBDRN CCc1nn(C)c(NCC2CCC2)c1[N+](=O)[O-] ZINC000091562067 172039158 /nfs/dbraw/zinc/03/91/58/172039158.db2.gz VZJNAVPRHITLBM-UHFFFAOYSA-N 0 0 238.291 2.103 20 5 BEBDRN CCc1noc(-c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000264608440 172072049 /nfs/dbraw/zinc/07/20/49/172072049.db2.gz JNIJSYZZJSZDTK-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN CCn1cc(NCc2cccc([N+](=O)[O-])c2)cn1 ZINC000035780156 172184873 /nfs/dbraw/zinc/18/48/73/172184873.db2.gz DMJJEXYSAAMZQW-UHFFFAOYSA-N 0 0 246.270 2.423 20 5 BEBDRN CCn1cc(OCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000184752513 172190734 /nfs/dbraw/zinc/19/07/34/172190734.db2.gz IOJNBMALDCKPAC-UHFFFAOYSA-N 0 0 247.254 2.390 20 5 BEBDRN CCn1cc(OCc2ccccc2[N+](=O)[O-])cn1 ZINC000184750924 172190883 /nfs/dbraw/zinc/19/08/83/172190883.db2.gz ZARRZSOVRMLFPY-UHFFFAOYSA-N 0 0 247.254 2.390 20 5 BEBDRN CCn1cc(OCc2cccc([N+](=O)[O-])c2)cn1 ZINC000184752049 172191342 /nfs/dbraw/zinc/19/13/42/172191342.db2.gz UKBYYTHHPDWQTQ-UHFFFAOYSA-N 0 0 247.254 2.390 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1Oc1cccnc1 ZINC000195337403 172248729 /nfs/dbraw/zinc/24/87/29/172248729.db2.gz HKZOXALAVTYLJY-UHFFFAOYSA-N 0 0 248.242 2.307 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[C@@H]1C ZINC000159428248 172248790 /nfs/dbraw/zinc/24/87/90/172248790.db2.gz FTAOQVZWOFKEFT-IONNQARKSA-N 0 0 238.291 2.188 20 5 BEBDRN CN(C(=O)C(C)(C)F)c1cccc([N+](=O)[O-])c1 ZINC000092871690 172295019 /nfs/dbraw/zinc/29/50/19/172295019.db2.gz JTSSFCAVDZYODJ-UHFFFAOYSA-N 0 0 240.234 2.306 20 5 BEBDRN CN(CCC(F)(F)F)c1ccc([N+](=O)[O-])cn1 ZINC000301097903 172673673 /nfs/dbraw/zinc/67/36/73/172673673.db2.gz NSWFXNTWGYLYOE-UHFFFAOYSA-N 0 0 249.192 2.378 20 5 BEBDRN CN(c1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000269610062 172945916 /nfs/dbraw/zinc/94/59/16/172945916.db2.gz DXDNJCNAMJLSTQ-UHFFFAOYSA-N 0 0 228.198 2.472 20 5 BEBDRN COC(C)(C)CCOc1cccnc1[N+](=O)[O-] ZINC000340639518 173938574 /nfs/dbraw/zinc/93/85/74/173938574.db2.gz MLGVVBBTPUBKFF-UHFFFAOYSA-N 0 0 240.259 2.184 20 5 BEBDRN COC1(Cn2c(C)ncc2[N+](=O)[O-])CCCC1 ZINC000358538197 174009657 /nfs/dbraw/zinc/00/96/57/174009657.db2.gz DAUIGHYAOHJQMG-UHFFFAOYSA-N 0 0 239.275 2.059 20 5 BEBDRN COCCC(C)(C)Nc1ncccc1[N+](=O)[O-] ZINC000353279081 174148104 /nfs/dbraw/zinc/14/81/04/174148104.db2.gz YBDXIILFAOAZGR-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN COCCC(C)(C)Nc1ncc([N+](=O)[O-])s1 ZINC000336774992 174148782 /nfs/dbraw/zinc/14/87/82/174148782.db2.gz XTAVWJQXJXFDJB-UHFFFAOYSA-N 0 0 245.304 2.278 20 5 BEBDRN COCCCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286522804 174204855 /nfs/dbraw/zinc/20/48/55/174204855.db2.gz XNGFGVDVWAMBDX-UHFFFAOYSA-N 0 0 239.275 2.016 20 5 BEBDRN COCCSc1ncc(C)cc1[N+](=O)[O-] ZINC000266493567 174378070 /nfs/dbraw/zinc/37/80/70/174378070.db2.gz TXFPVYPEGYVTFX-UHFFFAOYSA-N 0 0 228.273 2.037 20 5 BEBDRN COCCSc1sccc1[N+](=O)[O-] ZINC000301920074 174378107 /nfs/dbraw/zinc/37/81/07/174378107.db2.gz CQYFWJMLOJCJTD-UHFFFAOYSA-N 0 0 219.287 2.395 20 5 BEBDRN COC[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000265763003 174508893 /nfs/dbraw/zinc/50/88/93/174508893.db2.gz BMXQDNDBFBBALM-SNVBAGLBSA-N 0 0 236.271 2.068 20 5 BEBDRN COC[C@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000111045563 174553085 /nfs/dbraw/zinc/55/30/85/174553085.db2.gz AKYYCTDMZHPZBR-QMMMGPOBSA-N 0 0 240.259 2.050 20 5 BEBDRN COC[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000054614532 174553271 /nfs/dbraw/zinc/55/32/71/174553271.db2.gz MTBZQSSCTQMMDH-ZETCQYMHSA-N 0 0 228.223 2.181 20 5 BEBDRN CO[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000286278332 174778148 /nfs/dbraw/zinc/77/81/48/174778148.db2.gz HVRZWGXQTHEWOR-TXEJJXNPSA-N 0 0 236.271 2.208 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1OCCCF ZINC000153471552 175019020 /nfs/dbraw/zinc/01/90/20/175019020.db2.gz QUKUNMNHXOMPIU-UHFFFAOYSA-N 0 0 229.207 2.342 20 5 BEBDRN COc1ccc(CN2CC(C)C2)cc1[N+](=O)[O-] ZINC000332012245 175098452 /nfs/dbraw/zinc/09/84/52/175098452.db2.gz SMCQMZVXGKLVMM-UHFFFAOYSA-N 0 0 236.271 2.055 20 5 BEBDRN COc1ccc(Nc2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000035781718 175156636 /nfs/dbraw/zinc/15/66/36/175156636.db2.gz XMDHBNLGXKRTLB-UHFFFAOYSA-N 0 0 248.242 2.081 20 5 BEBDRN COc1ccc(OC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000191012596 175163170 /nfs/dbraw/zinc/16/31/70/175163170.db2.gz TVQQLYZSMHOBHR-UHFFFAOYSA-N 0 0 239.227 2.165 20 5 BEBDRN CSC[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000124725027 175513462 /nfs/dbraw/zinc/51/34/62/175513462.db2.gz NERQYSVBXFYZBK-SSDOTTSWSA-N 0 0 227.289 2.153 20 5 BEBDRN C[C@@H](CF)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000288131962 175694379 /nfs/dbraw/zinc/69/43/79/175694379.db2.gz DWJYLJGLIZWAAJ-YFKPBYRVSA-N 0 0 244.251 2.074 20 5 BEBDRN C[C@@H](CO)CCCNc1ccccc1[N+](=O)[O-] ZINC000230148500 175741069 /nfs/dbraw/zinc/74/10/69/175741069.db2.gz LSAVSPXTQCJESB-SNVBAGLBSA-N 0 0 238.287 2.415 20 5 BEBDRN C[C@@H](CO)S/C=C/c1ccc([N+](=O)[O-])o1 ZINC000284251063 175758888 /nfs/dbraw/zinc/75/88/88/175758888.db2.gz OLTMEEALMUOEQY-KPJROHGDSA-N 0 0 229.257 2.273 20 5 BEBDRN C[C@@H](CO)Sc1ccc([N+](=O)[O-])cc1 ZINC000091485304 175759314 /nfs/dbraw/zinc/75/93/14/175759314.db2.gz IIUMLHUFLGIUQI-ZETCQYMHSA-N 0 0 213.258 2.068 20 5 BEBDRN C[C@@H](NC(=O)C1=CCC1)c1ccccc1[N+](=O)[O-] ZINC000355974870 175826856 /nfs/dbraw/zinc/82/68/56/175826856.db2.gz SYIQPFOVKCJZFS-SECBINFHSA-N 0 0 246.266 2.492 20 5 BEBDRN C[C@@H](NCc1cc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000037775642 175896712 /nfs/dbraw/zinc/89/67/12/175896712.db2.gz NVXFKYMAWWOHOL-SECBINFHSA-N 0 0 246.270 2.169 20 5 BEBDRN C[C@@H]1CCCC[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000035121778 176089780 /nfs/dbraw/zinc/08/97/80/176089780.db2.gz AZRICYPGGSGXOC-RKDXNWHRSA-N 0 0 238.291 2.319 20 5 BEBDRN C[C@@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173172509 176105468 /nfs/dbraw/zinc/10/54/68/176105468.db2.gz KMEJPFKDEQXKBH-SNVBAGLBSA-N 0 0 248.282 2.148 20 5 BEBDRN C[C@@H]1CCC[C@@H](Cn2ncc([N+](=O)[O-])c2N)C1 ZINC000089610453 176119160 /nfs/dbraw/zinc/11/91/60/176119160.db2.gz NHMKDXZBWDKVHU-RKDXNWHRSA-N 0 0 238.291 2.200 20 5 BEBDRN C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000299707958 176163197 /nfs/dbraw/zinc/16/31/97/176163197.db2.gz HMEAMDZYKOQNCH-SECBINFHSA-N 0 0 234.255 2.077 20 5 BEBDRN C[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000299623395 176163585 /nfs/dbraw/zinc/16/35/85/176163585.db2.gz JCQWEPAEYUFKQK-SECBINFHSA-N 0 0 234.255 2.077 20 5 BEBDRN C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000168867656 176304087 /nfs/dbraw/zinc/30/40/87/176304087.db2.gz VLSJQCWTXAQFIP-SNVBAGLBSA-N 0 0 248.282 2.006 20 5 BEBDRN C[C@@H]1C[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000336462109 176364365 /nfs/dbraw/zinc/36/43/65/176364365.db2.gz GADBDTVPFVEPDN-RNFRBKRXSA-N 0 0 240.284 2.279 20 5 BEBDRN C[C@@H]1C[C@@H]1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000352472349 176390150 /nfs/dbraw/zinc/39/01/50/176390150.db2.gz CBMRLKXYZJAYGB-MWLCHTKSSA-N 0 0 248.282 2.257 20 5 BEBDRN C[C@H](CC1CC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000112601621 176613053 /nfs/dbraw/zinc/61/30/53/176613053.db2.gz IKDLYNYHKWQQLZ-SSDOTTSWSA-N 0 0 238.243 2.106 20 5 BEBDRN C[C@@H](O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000087139437 177028886 /nfs/dbraw/zinc/02/88/86/177028886.db2.gz DHFROLQUOACXOF-SFYZADRCSA-N 0 0 227.285 2.456 20 5 BEBDRN C[C@H]1CCC[C@@H](Cn2ncc([N+](=O)[O-])c2N)C1 ZINC000089610454 177119964 /nfs/dbraw/zinc/11/99/64/177119964.db2.gz NHMKDXZBWDKVHU-DTWKUNHWSA-N 0 0 238.291 2.200 20 5 BEBDRN C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000177067242 177153685 /nfs/dbraw/zinc/15/36/85/177153685.db2.gz YWZCKNGVUNLNTD-VHSXEESVSA-N 0 0 248.282 2.465 20 5 BEBDRN C[C@@H]1[C@@H](C)CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000178165306 177153920 /nfs/dbraw/zinc/15/39/20/177153920.db2.gz IJFCRNMXETZHTN-JGVFFNPUSA-N 0 0 238.243 2.058 20 5 BEBDRN C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000263693396 177167702 /nfs/dbraw/zinc/16/77/02/177167702.db2.gz KCTFUQWCVILKFD-QMMMGPOBSA-N 0 0 226.301 2.498 20 5 BEBDRN C[C@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275417750 177171360 /nfs/dbraw/zinc/17/13/60/177171360.db2.gz TUHVMKFIWPGIBN-VIFPVBQESA-N 0 0 247.298 2.409 20 5 BEBDRN C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265524152 177171759 /nfs/dbraw/zinc/17/17/59/177171759.db2.gz MOENLLORYHDASR-ZETCQYMHSA-N 0 0 241.678 2.489 20 5 BEBDRN C[C@H]1CC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000336700437 177195946 /nfs/dbraw/zinc/19/59/46/177195946.db2.gz PIJOJDMUTUWXDF-CBAPKCEASA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000294408692 177218648 /nfs/dbraw/zinc/21/86/48/177218648.db2.gz YXDRIQVBUVFONR-VHSXEESVSA-N 0 0 248.282 2.004 20 5 BEBDRN C[C@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@@H]1C ZINC000281839633 177278597 /nfs/dbraw/zinc/27/85/97/177278597.db2.gz IULPNHYTXZBMBJ-BQBZGAKWSA-N 0 0 227.289 2.144 20 5 BEBDRN C[C@@H]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000336344498 177316528 /nfs/dbraw/zinc/31/65/28/177316528.db2.gz UUFKTDACTIQNJS-ZJUUUORDSA-N 0 0 248.282 2.465 20 5 BEBDRN C[C@@H]1C[C@H](C)CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000336344497 177319193 /nfs/dbraw/zinc/31/91/93/177319193.db2.gz UUFKTDACTIQNJS-VHSXEESVSA-N 0 0 248.282 2.465 20 5 BEBDRN C[C@H]1C[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000226776098 177345906 /nfs/dbraw/zinc/34/59/06/177345906.db2.gz JYXADHGOPQYTKO-NTSWFWBYSA-N 0 0 213.262 2.119 20 5 BEBDRN C[C@H]1C[C@H](C)N1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000336453653 177359265 /nfs/dbraw/zinc/35/92/65/177359265.db2.gz RLFUGHUCQSTYKH-UWVGGRQHSA-N 0 0 248.282 2.147 20 5 BEBDRN C[C@H](NCc1ccno1)c1ccc([N+](=O)[O-])cc1 ZINC000231883429 487639946 /nfs/dbraw/zinc/63/99/46/487639946.db2.gz KANRJQOEALDDRT-VIFPVBQESA-N 0 0 247.254 2.434 20 5 BEBDRN Cc1c(Nc2ccc([N+](=O)[O-])c(C)n2)cnn1C ZINC000471741491 225077560 /nfs/dbraw/zinc/07/75/60/225077560.db2.gz NFHUPZZNLOAMNO-UHFFFAOYSA-N 0 0 247.258 2.084 20 5 BEBDRN CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000491320558 225631675 /nfs/dbraw/zinc/63/16/75/225631675.db2.gz NHGVVTBYTKHJEN-VMPITWQZSA-N 0 0 246.266 2.229 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCc1ccnn1C ZINC000091588723 322933955 /nfs/dbraw/zinc/93/39/55/322933955.db2.gz FJEBBQJCKNGWMZ-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCC1 ZINC000335527198 487821223 /nfs/dbraw/zinc/82/12/23/487821223.db2.gz AVGIMWOTEFPPMN-UHFFFAOYSA-N 0 0 248.282 2.494 20 5 BEBDRN CCO[C@H]1C[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000562534630 323023110 /nfs/dbraw/zinc/02/31/10/323023110.db2.gz YYLBVVMNEWPIPW-KOLCDFICSA-N 0 0 240.234 2.323 20 5 BEBDRN C[C@H]1C[C@H]1c1noc(-c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000570094638 323049642 /nfs/dbraw/zinc/04/96/42/323049642.db2.gz JJRWOVZDILTOKL-CAHLUQPWSA-N 0 0 234.215 2.096 20 5 BEBDRN CC1(NC(=O)c2ccc([N+](=O)[O-])cn2)CCCC1 ZINC000531627995 323110630 /nfs/dbraw/zinc/11/06/30/323110630.db2.gz AALCBTPMDMINGM-UHFFFAOYSA-N 0 0 249.270 2.052 20 5 BEBDRN O=C(NC1(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000531867537 323118624 /nfs/dbraw/zinc/11/86/24/323118624.db2.gz GSASVTYWEMRCHJ-UHFFFAOYSA-N 0 0 246.266 2.267 20 5 BEBDRN CCCC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000161156965 323149415 /nfs/dbraw/zinc/14/94/15/323149415.db2.gz GNSWYOUIWIEQDF-UHFFFAOYSA-N 0 0 248.282 2.280 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCc1ccoc1 ZINC000049000117 323156481 /nfs/dbraw/zinc/15/64/81/323156481.db2.gz PPSINIZZHMEOTL-UHFFFAOYSA-N 0 0 219.200 2.195 20 5 BEBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)NC ZINC000161396737 323511965 /nfs/dbraw/zinc/51/19/65/323511965.db2.gz WELLKNBDXGYHHD-UHFFFAOYSA-N 0 0 240.284 2.066 20 5 BEBDRN C[C@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000161832198 323567488 /nfs/dbraw/zinc/56/74/88/323567488.db2.gz KIPKFRNIBWLBNB-YUMQZZPRSA-N 0 0 238.243 2.201 20 5 BEBDRN Cc1ccc(OCCn2cccn2)c([N+](=O)[O-])c1 ZINC000060534412 324038891 /nfs/dbraw/zinc/03/88/91/324038891.db2.gz BDRHHOHJHWPMCY-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN CCOCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000069199006 324932327 /nfs/dbraw/zinc/93/23/27/324932327.db2.gz UXXKYHLCKXWLSC-UHFFFAOYSA-N 0 0 241.243 2.019 20 5 BEBDRN CCCCCn1ccc(C)c([N+](=O)[O-])c1=O ZINC000129622559 324967323 /nfs/dbraw/zinc/96/73/23/324967323.db2.gz DQJINMDHFBQWKA-UHFFFAOYSA-N 0 0 224.260 2.255 20 5 BEBDRN O=[N+]([O-])c1cccc(CCNc2cnccn2)c1 ZINC000129637157 324969041 /nfs/dbraw/zinc/96/90/41/324969041.db2.gz PQKJKOGXCZEYQQ-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN C[C@H]1C[C@H]1c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000545058263 325173964 /nfs/dbraw/zinc/17/39/64/325173964.db2.gz VWCOVFKNMVRGQP-NTSWFWBYSA-N 0 0 234.215 2.096 20 5 BEBDRN CC(C)(C)c1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000546599831 325291559 /nfs/dbraw/zinc/29/15/59/325291559.db2.gz UXNOHRUOQKBVGX-UHFFFAOYSA-N 0 0 248.242 2.337 20 5 BEBDRN Cc1nn(C)c(NCCCC2CC2)c1[N+](=O)[O-] ZINC000134830804 325378306 /nfs/dbraw/zinc/37/83/06/325378306.db2.gz UMTCZTXYYJOFRK-UHFFFAOYSA-N 0 0 238.291 2.239 20 5 BEBDRN O=C(CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000135274523 325404534 /nfs/dbraw/zinc/40/45/34/325404534.db2.gz ILFZBLNMHBMNIA-UHFFFAOYSA-N 0 0 245.238 2.064 20 5 BEBDRN CCO[C@H]1C[C@@H]1Nc1ccc(C)cc1[N+](=O)[O-] ZINC000566600079 326066434 /nfs/dbraw/zinc/06/64/34/326066434.db2.gz HGXQWKWDDXEMFA-JQWIXIFHSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1ccc(CNc2c[nH]cn2)cc1[N+](=O)[O-] ZINC000566827778 326085962 /nfs/dbraw/zinc/08/59/62/326085962.db2.gz FLDSWDUKCDCCCD-UHFFFAOYSA-N 0 0 232.243 2.238 20 5 BEBDRN Cc1nc(COc2ccc([N+](=O)[O-])cc2)co1 ZINC000566952386 326096191 /nfs/dbraw/zinc/09/61/91/326096191.db2.gz XWKUDBCQAXCLGD-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN O=C(N[C@@H]1C=CCCC1)c1ccccc1[N+](=O)[O-] ZINC000157737208 326293379 /nfs/dbraw/zinc/29/33/79/326293379.db2.gz LBRQCOKCFBNPLI-SNVBAGLBSA-N 0 0 246.266 2.433 20 5 BEBDRN Cc1c(COCc2ncc[nH]2)cccc1[N+](=O)[O-] ZINC000123851429 488149839 /nfs/dbraw/zinc/14/98/39/488149839.db2.gz PFOWFNFDMNDTEI-UHFFFAOYSA-N 0 0 247.254 2.343 20 5 BEBDRN CC[C@H]1[C@@H](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000274652863 490289359 /nfs/dbraw/zinc/28/93/59/490289359.db2.gz CXHUBPRETUCBMG-WPRPVWTQSA-N 0 0 236.275 2.010 20 5 BEBDRN C[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1F ZINC000335493404 490305005 /nfs/dbraw/zinc/30/50/05/490305005.db2.gz CGJCSZLWICKIEE-GXSJLCMTSA-N 0 0 238.218 2.281 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H]1C ZINC000335807841 490321234 /nfs/dbraw/zinc/32/12/34/490321234.db2.gz LZERZMBNMQXJHP-CABZTGNLSA-N 0 0 248.282 2.432 20 5 BEBDRN C[C@H]1C[C@H](C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000335878779 491125535 /nfs/dbraw/zinc/12/55/35/491125535.db2.gz OVOVASWLMIJOOV-UWVGGRQHSA-N 0 0 248.282 2.147 20 5 BEBDRN O=C(/C=C\C1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000491950423 534789033 /nfs/dbraw/zinc/78/90/33/534789033.db2.gz RXDPKCPXJCGYSE-SREVYHEPSA-N 0 0 232.239 2.500 20 5 BEBDRN CC1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000492732934 528270606 /nfs/dbraw/zinc/27/06/06/528270606.db2.gz GCUYZPTWQZIYPG-VOTSOKGWSA-N 0 0 246.266 2.086 20 5 BEBDRN CCC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345806969 535318512 /nfs/dbraw/zinc/31/85/12/535318512.db2.gz OSRGXUQOAZWUKM-UHFFFAOYSA-N 0 0 236.271 2.356 20 5 BEBDRN CC[C@@H](C)CNc1ccc([N+](=O)[O-])cn1 ZINC000054473974 535525904 /nfs/dbraw/zinc/52/59/04/535525904.db2.gz ORJFQEMDLFWPMH-MRVPVSSYSA-N 0 0 209.249 2.448 20 5 BEBDRN CC[C@H](O)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000194767397 535996428 /nfs/dbraw/zinc/99/64/28/535996428.db2.gz RNXDRTAKKBFQPV-JTQLQIEISA-N 0 0 239.271 2.361 20 5 BEBDRN CC[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000113699780 536169044 /nfs/dbraw/zinc/16/90/44/536169044.db2.gz RAEROUUBAUHROE-ZETCQYMHSA-N 0 0 240.234 2.262 20 5 BEBDRN CC[C@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000234149305 536172098 /nfs/dbraw/zinc/17/20/98/536172098.db2.gz MDSZBHJLLQKOKY-WDSKDSINSA-N 0 0 213.262 2.262 20 5 BEBDRN CCc1nn(C)c(NC[C@@H](C)CC)c1[N+](=O)[O-] ZINC000091560265 536181531 /nfs/dbraw/zinc/18/15/31/536181531.db2.gz UBRXQTRDDUJJTD-QMMMGPOBSA-N 0 0 240.307 2.349 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]2C(F)F)cc1 ZINC000853650716 588752194 /nfs/dbraw/zinc/75/21/94/588752194.db2.gz VMNXRZDQHVDFRW-SECBINFHSA-N 0 0 228.198 2.439 20 5 BEBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000853650338 588752200 /nfs/dbraw/zinc/75/22/00/588752200.db2.gz OXWZPRFUZCQLQP-BDAKNGLRSA-N 0 0 206.245 2.439 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@H]2C)n1 ZINC000853650370 588752269 /nfs/dbraw/zinc/75/22/69/588752269.db2.gz PHEKNBIRQPOBCB-IONNQARKSA-N 0 0 221.260 2.143 20 5 BEBDRN CC1=NO[C@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000853660330 588753223 /nfs/dbraw/zinc/75/32/23/588753223.db2.gz BOWDNBZUUBBDOA-JTQLQIEISA-N 0 0 249.270 2.480 20 5 BEBDRN C[C@@]12COC[C@H]1CN(c1ccc([N+](=O)[O-])cc1)C2 ZINC000853857226 588766121 /nfs/dbraw/zinc/76/61/21/588766121.db2.gz XBVSDVNGQUXCBJ-ZWNOBZJWSA-N 0 0 248.282 2.068 20 5 BEBDRN O=C(OCC1CC1)c1ccc([N+](=O)[O-])c(F)c1 ZINC000111678159 588766376 /nfs/dbraw/zinc/76/63/76/588766376.db2.gz VTPNVRZVQDGBNF-UHFFFAOYSA-N 0 0 239.202 2.301 20 5 BEBDRN O=C(OCC1CC1)c1cc([N+](=O)[O-])ccc1F ZINC000111678167 588766406 /nfs/dbraw/zinc/76/64/06/588766406.db2.gz CZTUVFCADQYDRU-UHFFFAOYSA-N 0 0 239.202 2.301 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000853934698 588769755 /nfs/dbraw/zinc/76/97/55/588769755.db2.gz YDIDYKXEFPQTEK-GHMZBOCLSA-N 0 0 248.282 2.068 20 5 BEBDRN CC/C(C)=C/C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854496378 588789556 /nfs/dbraw/zinc/78/95/56/588789556.db2.gz KHLUTDXELZAHCD-SOFGYWHQSA-N 0 0 249.270 2.472 20 5 BEBDRN C[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000854497785 588789632 /nfs/dbraw/zinc/78/96/32/588789632.db2.gz YSDFNPJDIBYOFV-SSDOTTSWSA-N 0 0 249.270 2.162 20 5 BEBDRN Nc1ccc(NC(=O)C=C2CCC2)cc1[N+](=O)[O-] ZINC000854497594 588789685 /nfs/dbraw/zinc/78/96/85/588789685.db2.gz RNORHYWTFJHITQ-UHFFFAOYSA-N 0 0 247.254 2.226 20 5 BEBDRN C/C=C(\C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000207384395 582458864 /nfs/dbraw/zinc/45/88/64/582458864.db2.gz LERJHUVRHZSINB-FPYGCLRLSA-N 0 0 220.228 2.500 20 5 BEBDRN Cc1cc(C(=O)N[C@@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000855418606 588832234 /nfs/dbraw/zinc/83/22/34/588832234.db2.gz AQQAUXWXPDULDQ-LLVKDONJSA-N 0 0 246.266 2.352 20 5 BEBDRN Cc1ccc(C(=O)N[C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000855418810 588832279 /nfs/dbraw/zinc/83/22/79/588832279.db2.gz DAHZOIUQWIRCTL-LLVKDONJSA-N 0 0 246.266 2.352 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]3C[C@@H]32)c(F)c1 ZINC000804690139 582527913 /nfs/dbraw/zinc/52/79/13/582527913.db2.gz ZLKULFOITWLLAI-HQJQHLMTSA-N 0 0 222.219 2.333 20 5 BEBDRN O=C(N[C@@H]1C=CCC1)c1csc([N+](=O)[O-])c1 ZINC000855423661 588833094 /nfs/dbraw/zinc/83/30/94/588833094.db2.gz GEABDQBGJXFERO-MRVPVSSYSA-N 0 0 238.268 2.105 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C=CCC1 ZINC000855427521 588833912 /nfs/dbraw/zinc/83/39/12/588833912.db2.gz ZWTAXEUEVONLQQ-JTQLQIEISA-N 0 0 246.266 2.352 20 5 BEBDRN C[C@H]1CC[C@H](CC(=O)OCCC[N+](=O)[O-])C1 ZINC000860917437 582553814 /nfs/dbraw/zinc/55/38/14/582553814.db2.gz LACXVEJZHPBXOO-UWVGGRQHSA-N 0 0 229.276 2.023 20 5 BEBDRN CC[C@H](C)CCC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813102051 582580152 /nfs/dbraw/zinc/58/01/52/582580152.db2.gz AHKIVBTVXQIIHQ-DTWKUNHWSA-N 0 0 217.265 2.021 20 5 BEBDRN CC[C@@H]1CCCC[C@H]1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813110732 582588052 /nfs/dbraw/zinc/58/80/52/582588052.db2.gz IHKVBMLUOWTVCJ-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](COC(=O)C1(C)CCCCC1)[N+](=O)[O-] ZINC000813113819 582590762 /nfs/dbraw/zinc/59/07/62/582590762.db2.gz JOQQVIGKKSNMPC-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN CCCc1ccccc1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000857070318 588886035 /nfs/dbraw/zinc/88/60/35/588886035.db2.gz INTLJQPIEZXGRA-GHMZBOCLSA-N 0 0 249.266 2.210 20 5 BEBDRN CC/C=C\CNc1ncc([N+](=O)[O-])cc1OC ZINC000894045915 583287554 /nfs/dbraw/zinc/28/75/54/583287554.db2.gz JQGIUOAIWHABAS-PLNGDYQASA-N 0 0 237.259 2.377 20 5 BEBDRN Cc1c(CN2CC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000877555763 583327701 /nfs/dbraw/zinc/32/77/01/583327701.db2.gz AVRGMKCRZJZBJF-UHFFFAOYSA-N 0 0 232.283 2.499 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)c1ccsc1 ZINC000814048429 583339665 /nfs/dbraw/zinc/33/96/65/583339665.db2.gz UEGQJRNORFEVJP-YUMQZZPRSA-N 0 0 243.284 2.060 20 5 BEBDRN CC(C)[C@H](Nc1c([N+](=O)[O-])cnn1C)C1CC1 ZINC000894601313 583491527 /nfs/dbraw/zinc/49/15/27/583491527.db2.gz KIKWYFVBIFBANL-JTQLQIEISA-N 0 0 238.291 2.175 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCCC12CC2 ZINC000894862148 583535093 /nfs/dbraw/zinc/53/50/93/583535093.db2.gz FKJOZUNBIUFVAG-SECBINFHSA-N 0 0 236.275 2.073 20 5 BEBDRN CC(C)OC1CN(c2ccccc2[N+](=O)[O-])C1 ZINC000894967091 583559832 /nfs/dbraw/zinc/55/98/32/583559832.db2.gz JNFUGDRVLJXWOB-UHFFFAOYSA-N 0 0 236.271 2.208 20 5 BEBDRN CC(C)OC1CN(c2ccsc2[N+](=O)[O-])C1 ZINC000894970764 583561074 /nfs/dbraw/zinc/56/10/74/583561074.db2.gz BHMNDJFCSQWEGU-UHFFFAOYSA-N 0 0 242.300 2.270 20 5 BEBDRN CN(CCCF)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000895280057 583635718 /nfs/dbraw/zinc/63/57/18/583635718.db2.gz NITPTRXISMEZDJ-UHFFFAOYSA-N 0 0 240.234 2.026 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)CCO1 ZINC000895758985 583721339 /nfs/dbraw/zinc/72/13/39/583721339.db2.gz RTCDTFXVNAKYGO-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN C[C@@H]1CCN(c2sccc2[N+](=O)[O-])CCO1 ZINC000895761393 583722141 /nfs/dbraw/zinc/72/21/41/583722141.db2.gz YETRGLNIIQOPRJ-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN C[C@@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000895906033 583744080 /nfs/dbraw/zinc/74/40/80/583744080.db2.gz URVDDFLPLIXSLE-RNFRBKRXSA-N 0 0 228.273 2.103 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCC2CC=CC2)nc1 ZINC000896095526 583771293 /nfs/dbraw/zinc/77/12/93/583771293.db2.gz JUKJGNHCGNQLQV-UHFFFAOYSA-N 0 0 234.259 2.153 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCCC(=O)[C@H]2C)c1 ZINC000896336514 583792749 /nfs/dbraw/zinc/79/27/49/583792749.db2.gz MXSMKJPAPCYMGD-SNVBAGLBSA-N 0 0 248.282 2.461 20 5 BEBDRN CCO[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000896409145 583800705 /nfs/dbraw/zinc/80/07/05/583800705.db2.gz JCXBNVQIHGEYEA-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN CO[C@@H]1CC[C@@H]1N(C)c1ccccc1[N+](=O)[O-] ZINC000897149275 583884902 /nfs/dbraw/zinc/88/49/02/583884902.db2.gz RRDQTEDTTYJEGE-NWDGAFQWSA-N 0 0 236.271 2.208 20 5 BEBDRN CO[C@H]1CC[C@H]1N(C)c1ccc([N+](=O)[O-])s1 ZINC000897149481 583884916 /nfs/dbraw/zinc/88/49/16/583884916.db2.gz SXJZLEQSNRUCNQ-SFYZADRCSA-N 0 0 242.300 2.270 20 5 BEBDRN CO[C@@H]1CC[C@H]1N(C)c1ccc([N+](=O)[O-])s1 ZINC000897149479 583885051 /nfs/dbraw/zinc/88/50/51/583885051.db2.gz SXJZLEQSNRUCNQ-HTQZYQBOSA-N 0 0 242.300 2.270 20 5 BEBDRN CO[C@H]1CC[C@H]1N(C)c1ccccc1[N+](=O)[O-] ZINC000897149274 583885223 /nfs/dbraw/zinc/88/52/23/583885223.db2.gz RRDQTEDTTYJEGE-NEPJUHHUSA-N 0 0 236.271 2.208 20 5 BEBDRN Nc1ccc(N[C@@H]2C[C@H]3CCC[C@@H]32)nc1[N+](=O)[O-] ZINC000897177070 583889907 /nfs/dbraw/zinc/88/99/07/583889907.db2.gz JFHBMTPHQQVLCC-KHQFGBGNSA-N 0 0 248.286 2.173 20 5 BEBDRN O=c1[nH]ccc(N[C@@H]2C[C@H]3CCC[C@H]32)c1[N+](=O)[O-] ZINC000897177522 583890473 /nfs/dbraw/zinc/89/04/73/583890473.db2.gz QQKGZGABYDNIQL-NQMVMOMDSA-N 0 0 249.270 2.296 20 5 BEBDRN O=c1[nH]ccc(N[C@@H]2C[C@@H]3CCC[C@@H]23)c1[N+](=O)[O-] ZINC000897177524 583890635 /nfs/dbraw/zinc/89/06/35/583890635.db2.gz QQKGZGABYDNIQL-QXFUBDJGSA-N 0 0 249.270 2.296 20 5 BEBDRN Cc1cc(C(=O)OCC2CC2)cc([N+](=O)[O-])c1 ZINC000728764341 583906772 /nfs/dbraw/zinc/90/67/72/583906772.db2.gz PYBBHXFHQTYNAS-UHFFFAOYSA-N 0 0 235.239 2.470 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@@H]1COC[C@H]1C1CC1 ZINC000897442036 583984870 /nfs/dbraw/zinc/98/48/70/583984870.db2.gz OXEVUEDVBSWDNE-CMPLNLGQSA-N 0 0 248.282 2.432 20 5 BEBDRN CC[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000729893200 584028693 /nfs/dbraw/zinc/02/86/93/584028693.db2.gz CBTSVALZAQLGCX-SSDOTTSWSA-N 0 0 238.243 2.254 20 5 BEBDRN O=[N+]([O-])CCOc1ccc(F)cc1Cl ZINC000899230501 584183053 /nfs/dbraw/zinc/18/30/53/584183053.db2.gz IVUMLCGPVYUOPB-UHFFFAOYSA-N 0 0 219.599 2.135 20 5 BEBDRN CC(C)c1cccc(OCC[N+](=O)[O-])c1 ZINC000899230483 584183106 /nfs/dbraw/zinc/18/31/06/584183106.db2.gz IFINFROTFHNSEH-UHFFFAOYSA-N 0 0 209.245 2.466 20 5 BEBDRN CC(=O)c1cc(Cl)ccc1OCC[N+](=O)[O-] ZINC000899230172 584183156 /nfs/dbraw/zinc/18/31/56/584183156.db2.gz FBOMNGLYGMRMMK-UHFFFAOYSA-N 0 0 243.646 2.198 20 5 BEBDRN O=[N+]([O-])c1cccc(-n2cc(C3CCC3)nn2)c1 ZINC000899682906 584224314 /nfs/dbraw/zinc/22/43/14/584224314.db2.gz UMNOJZCVLYELGG-UHFFFAOYSA-N 0 0 244.254 2.443 20 5 BEBDRN Cc1cc(C)nc(SCC[N+](=O)[O-])c1 ZINC000899883843 584246533 /nfs/dbraw/zinc/24/65/33/584246533.db2.gz UAOAIZJHQWEVRO-UHFFFAOYSA-N 0 0 212.274 2.067 20 5 BEBDRN O=[N+]([O-])CCNc1ccc(C(F)F)cc1 ZINC000899894962 584248315 /nfs/dbraw/zinc/24/83/15/584248315.db2.gz KRCJJEYELIFREX-UHFFFAOYSA-N 0 0 216.187 2.313 20 5 BEBDRN O=[N+]([O-])c1ccccc1OC[C@@H]1C[C@@]12CCOC2 ZINC000902115834 584527399 /nfs/dbraw/zinc/52/73/99/584527399.db2.gz DRORNAVQOYCZAZ-GXFFZTMASA-N 0 0 249.266 2.400 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@H]2C[C@@]23CCOC3)cc1 ZINC000902117900 584528088 /nfs/dbraw/zinc/52/80/88/584528088.db2.gz XMNNSXDXAFAWRU-ZWNOBZJWSA-N 0 0 249.266 2.400 20 5 BEBDRN CO[C@@H](C)CSCc1cccnc1[N+](=O)[O-] ZINC000902359413 584571742 /nfs/dbraw/zinc/57/17/42/584571742.db2.gz NSQFROVPTBDAIN-QMMMGPOBSA-N 0 0 242.300 2.258 20 5 BEBDRN CC(C)c1cnn(Cc2cccnc2[N+](=O)[O-])c1 ZINC000902457289 584610267 /nfs/dbraw/zinc/61/02/67/584610267.db2.gz VUKXLJUZVLNUQI-UHFFFAOYSA-N 0 0 246.270 2.358 20 5 BEBDRN Cc1cn(CCc2cccc(F)c2)nc1[N+](=O)[O-] ZINC000902738902 584663336 /nfs/dbraw/zinc/66/33/36/584663336.db2.gz NUUAZWHXLOXRDO-UHFFFAOYSA-N 0 0 249.245 2.482 20 5 BEBDRN C[C@H]1CC(OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@H](C)C1 ZINC000842311585 584891986 /nfs/dbraw/zinc/89/19/86/584891986.db2.gz AFRQYOFFFNTQOW-YJFSRANCSA-N 0 0 241.287 2.020 20 5 BEBDRN O=C(OCCCF)c1ccccc1[N+](=O)[O-] ZINC000741446176 584924793 /nfs/dbraw/zinc/92/47/93/584924793.db2.gz VOXXTFRJADNENP-UHFFFAOYSA-N 0 0 227.191 2.111 20 5 BEBDRN CN(CC1CCC1)c1cccnc1[N+](=O)[O-] ZINC000732050681 584932934 /nfs/dbraw/zinc/93/29/34/584932934.db2.gz FMVCSEKJLAANFY-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN C[C@H]1CCCCCN1Cn1cc([N+](=O)[O-])cn1 ZINC000738225789 585041802 /nfs/dbraw/zinc/04/18/02/585041802.db2.gz ULWMHZRPYCWEJL-JTQLQIEISA-N 0 0 238.291 2.013 20 5 BEBDRN CC1(COc2ccc([N+](=O)[O-])c(F)c2)COC1 ZINC000741852386 585120371 /nfs/dbraw/zinc/12/03/71/585120371.db2.gz DTQIMIDDVRRQIF-UHFFFAOYSA-N 0 0 241.218 2.149 20 5 BEBDRN O=c1ccnc(C=Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000742220499 585123523 /nfs/dbraw/zinc/12/35/23/585123523.db2.gz ONWVQYIXJZXNDJ-UTCJRWHESA-N 0 0 243.222 2.261 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCCCCCCO ZINC000742451085 585126567 /nfs/dbraw/zinc/12/65/67/585126567.db2.gz RIMOSTJCZAFXRQ-UHFFFAOYSA-N 0 0 241.291 2.043 20 5 BEBDRN O=C(OCCF)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000744476162 585150905 /nfs/dbraw/zinc/15/09/05/585150905.db2.gz ZKVJEOWZFQJXIK-UHFFFAOYSA-N 0 0 247.609 2.375 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2cccc(F)n2)nc1 ZINC000747848386 585185007 /nfs/dbraw/zinc/18/50/07/585185007.db2.gz SDPACQDFYVKOTN-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN CCCCOC(=O)c1cccc([N+](=O)[O-])c1N ZINC000758956791 585362971 /nfs/dbraw/zinc/36/29/71/585362971.db2.gz TZJKJIYWFHQDHB-UHFFFAOYSA-N 0 0 238.243 2.134 20 5 BEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1ccc[nH]1 ZINC000760272634 585388481 /nfs/dbraw/zinc/38/84/81/585388481.db2.gz MMRPEVZZONUUTL-MRVPVSSYSA-N 0 0 232.243 2.491 20 5 BEBDRN CC1(C(=O)OCc2ccccc2[N+](=O)[O-])CC1 ZINC000761444088 585415766 /nfs/dbraw/zinc/41/57/66/585415766.db2.gz QWXLZIJEFMUJKG-UHFFFAOYSA-N 0 0 235.239 2.438 20 5 BEBDRN CCCCCC[C@H](O)Cn1ccc([N+](=O)[O-])n1 ZINC000762426628 585431927 /nfs/dbraw/zinc/43/19/27/585431927.db2.gz PTMNQUFADPWROE-JTQLQIEISA-N 0 0 241.291 2.123 20 5 BEBDRN CC(C)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000763543163 585450124 /nfs/dbraw/zinc/45/01/24/585450124.db2.gz ORNRRQGZEWNQFE-MRVPVSSYSA-N 0 0 240.259 2.135 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC(F)(F)C2)cc1 ZINC000776300581 585695096 /nfs/dbraw/zinc/69/50/96/585695096.db2.gz DAJHWSOLIQKRBK-UHFFFAOYSA-N 0 0 228.198 2.440 20 5 BEBDRN O=C(Cc1cccc([N+](=O)[O-])c1)O[C@H]1C=CCC1 ZINC000777353581 585710687 /nfs/dbraw/zinc/71/06/87/585710687.db2.gz QIVBOIWLVSLSDP-LBPRGKRZSA-N 0 0 247.250 2.399 20 5 BEBDRN Cc1ccc(C(=O)OC2CC2)cc1[N+](=O)[O-] ZINC000783185391 585829327 /nfs/dbraw/zinc/82/93/27/585829327.db2.gz FCHVKONLQGPBLK-UHFFFAOYSA-N 0 0 221.212 2.222 20 5 BEBDRN CCc1ccc(C(=O)OC2CC2)cc1[N+](=O)[O-] ZINC000783196169 585829867 /nfs/dbraw/zinc/82/98/67/585829867.db2.gz XJNVNSUXUYRLDO-UHFFFAOYSA-N 0 0 235.239 2.476 20 5 BEBDRN CC(C)=CCOC(=O)c1cc([N+](=O)[O-])cn1C ZINC000805759979 585857120 /nfs/dbraw/zinc/85/71/20/585857120.db2.gz YIINYXHYSPWREC-UHFFFAOYSA-N 0 0 238.243 2.056 20 5 BEBDRN CC(C)(F)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000785918391 585882647 /nfs/dbraw/zinc/88/26/47/585882647.db2.gz DKCOFSOHHSPEMI-UHFFFAOYSA-N 0 0 241.218 2.500 20 5 BEBDRN Cc1cccc([C@H]2CCC[N@@H+]2CC[N+](=O)[O-])c1 ZINC000791052955 585972957 /nfs/dbraw/zinc/97/29/57/585972957.db2.gz PZDWWFWURMTIRO-CYBMUJFWSA-N 0 0 234.299 2.409 20 5 BEBDRN CN(CC[N+](=O)[O-])Cc1ccccc1Cl ZINC000791054469 585973121 /nfs/dbraw/zinc/97/31/21/585973121.db2.gz VKBNJADIJGHTHV-UHFFFAOYSA-N 0 0 228.679 2.049 20 5 BEBDRN CCN(CC[N+](=O)[O-])Cc1cccc(Cl)c1 ZINC000791053702 585973225 /nfs/dbraw/zinc/97/32/25/585973225.db2.gz MRNVIYLGCUVSKB-UHFFFAOYSA-N 0 0 242.706 2.439 20 5 BEBDRN C[C@@H](OC(=O)C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000796661128 586109503 /nfs/dbraw/zinc/10/95/03/586109503.db2.gz WNRZIXZIHLZJRJ-ZCFIWIBFSA-N 0 0 245.181 2.464 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC[C@@H](C)CO ZINC000799972759 586203583 /nfs/dbraw/zinc/20/35/83/586203583.db2.gz FYEWTQBQSLXZQW-SSDOTTSWSA-N 0 0 242.250 2.083 20 5 BEBDRN O=[N+]([O-])c1cccc(SCC2OCCO2)c1 ZINC000800838701 586233381 /nfs/dbraw/zinc/23/33/81/586233381.db2.gz KGDKZYFWZKOUOW-UHFFFAOYSA-N 0 0 241.268 2.060 20 5 BEBDRN O=C1OCC[C@H]1Sc1cccc([N+](=O)[O-])c1 ZINC000800838245 586233906 /nfs/dbraw/zinc/23/39/06/586233906.db2.gz ZDRAICTXLDJAQO-SECBINFHSA-N 0 0 239.252 2.002 20 5 BEBDRN Cc1cc(CNc2ccc(N)cc2[N+](=O)[O-])on1 ZINC000804378467 586393511 /nfs/dbraw/zinc/39/35/11/586393511.db2.gz RVXYMFBORYYRTE-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN CON(CC(C)(C)C)c1ccncc1[N+](=O)[O-] ZINC000808070925 586461240 /nfs/dbraw/zinc/46/12/40/586461240.db2.gz FWEKFTPEQDXAKC-UHFFFAOYSA-N 0 0 239.275 2.404 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2CCC3(CC3)C2)c1 ZINC000811843569 586567603 /nfs/dbraw/zinc/56/76/03/586567603.db2.gz ZKHBWBSSDHBWJT-UHFFFAOYSA-N 0 0 233.271 2.167 20 5 BEBDRN CC(C)(CCc1noc(C2(C)CC2)n1)[N+](=O)[O-] ZINC000812815409 586587398 /nfs/dbraw/zinc/58/73/98/586587398.db2.gz LOXUDBDCCBUYIS-UHFFFAOYSA-N 0 0 239.275 2.109 20 5 BEBDRN C[C@H](COC(=O)C[C@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813101538 586592191 /nfs/dbraw/zinc/59/21/91/586592191.db2.gz CZRQFZXJQLXRQA-MXWKQRLJSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](COC(=O)C[C@@H]1CCC[C@H]1C)[N+](=O)[O-] ZINC000813103562 586592417 /nfs/dbraw/zinc/59/24/17/586592417.db2.gz QLSCIIDBZVIOCV-BBBLOLIVSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](COC(=O)CC1=CCCCC1)[N+](=O)[O-] ZINC000813106923 586592779 /nfs/dbraw/zinc/59/27/79/586592779.db2.gz HZZZQYAFGYWUPT-SECBINFHSA-N 0 0 227.260 2.085 20 5 BEBDRN CCC[C@@](C)(CC)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813107132 586592839 /nfs/dbraw/zinc/59/28/39/586592839.db2.gz KEKAWHLYNBQWMJ-GXSJLCMTSA-N 0 0 231.292 2.411 20 5 BEBDRN CCCC1(C(=O)OC[C@@H](C)[N+](=O)[O-])CCC1 ZINC000813107099 586592861 /nfs/dbraw/zinc/59/28/61/586592861.db2.gz JRNARXPZDQYWKI-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN C[C@@H](COC(=O)c1coc2ccccc12)[N+](=O)[O-] ZINC000813106997 586592893 /nfs/dbraw/zinc/59/28/93/586592893.db2.gz JUVSWCMJAFGMKV-QMMMGPOBSA-N 0 0 249.222 2.255 20 5 BEBDRN CCc1ccc(C(=O)OC[C@H](C)[N+](=O)[O-])cc1 ZINC000813106727 586592995 /nfs/dbraw/zinc/59/29/95/586592995.db2.gz GIDBQAGGOYTUJR-VIFPVBQESA-N 0 0 237.255 2.071 20 5 BEBDRN CCc1ccsc1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813109527 586593152 /nfs/dbraw/zinc/59/31/52/586593152.db2.gz KSRGTWBBEQEOER-ZETCQYMHSA-N 0 0 243.284 2.133 20 5 BEBDRN C[C@@H](COC(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000813113003 586593925 /nfs/dbraw/zinc/59/39/25/586593925.db2.gz NNZMGRASOCLKCA-ZETCQYMHSA-N 0 0 243.646 2.162 20 5 BEBDRN CC[C@@H]1CCCC[C@@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814037018 586611776 /nfs/dbraw/zinc/61/17/76/586611776.db2.gz PGQFQXBTPHLMDW-MXWKQRLJSA-N 0 0 243.303 2.411 20 5 BEBDRN CCc1ccc(C(=O)O[C@H](C)C[N+](=O)[O-])cc1 ZINC000814038297 586612134 /nfs/dbraw/zinc/61/21/34/586612134.db2.gz BCDIHBDTZDQBFW-SECBINFHSA-N 0 0 237.255 2.071 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)CC1CCCC1 ZINC000814040000 586612303 /nfs/dbraw/zinc/61/23/03/586612303.db2.gz AKZSZMNYPZSOKV-NXEZZACHSA-N 0 0 243.303 2.411 20 5 BEBDRN CCc1ccsc1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814039125 586612312 /nfs/dbraw/zinc/61/23/12/586612312.db2.gz YGTFNHVRALPNMU-ZETCQYMHSA-N 0 0 243.284 2.133 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)C1CCCC1 ZINC000814041266 586612603 /nfs/dbraw/zinc/61/26/03/586612603.db2.gz RWRHFWWKAILNAO-BDAKNGLRSA-N 0 0 229.276 2.021 20 5 BEBDRN Cc1ccc(C(=O)O[C@@H](C)C[N+](=O)[O-])c(C)c1 ZINC000814042804 586612666 /nfs/dbraw/zinc/61/26/66/586612666.db2.gz ODUHNDQVIGIUFD-JTQLQIEISA-N 0 0 237.255 2.125 20 5 BEBDRN CC[C@H](C)CCC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814045453 586612702 /nfs/dbraw/zinc/61/27/02/586612702.db2.gz SOKAMYCFXSEKRX-IUCAKERBSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1CCCCCC1 ZINC000814044375 586612713 /nfs/dbraw/zinc/61/27/13/586612713.db2.gz FEQDSUNMULCNFX-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN Cc1cc(C(=O)O[C@H](C)C[N+](=O)[O-])c(C)s1 ZINC000814043931 586612862 /nfs/dbraw/zinc/61/28/62/586612862.db2.gz LYKYJVXOIMLHGN-ZCFIWIBFSA-N 0 0 243.284 2.187 20 5 BEBDRN CCC[C@@](C)(CC)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814045937 586612916 /nfs/dbraw/zinc/61/29/16/586612916.db2.gz CYLCIDLGOQXMAE-MWLCHTKSSA-N 0 0 231.292 2.411 20 5 BEBDRN Cc1cc(C)cc(C(=O)O[C@H](C)C[N+](=O)[O-])c1 ZINC000814046392 586613012 /nfs/dbraw/zinc/61/30/12/586613012.db2.gz JQHWMTWFTZHYEU-SNVBAGLBSA-N 0 0 237.255 2.125 20 5 BEBDRN CCCC[C@@H](CC)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814046753 586613014 /nfs/dbraw/zinc/61/30/14/586613014.db2.gz JAVCBJUUMNXUBY-NXEZZACHSA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCCC1(C)C ZINC000814050414 586613137 /nfs/dbraw/zinc/61/31/37/586613137.db2.gz XBEZKXBZSICHGA-VHSXEESVSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCCC1(C)C ZINC000814050413 586613164 /nfs/dbraw/zinc/61/31/64/586613164.db2.gz XBEZKXBZSICHGA-UWVGGRQHSA-N 0 0 243.303 2.411 20 5 BEBDRN CCSCOc1ccc([N+](=O)[O-])c(CO)c1 ZINC000814761423 586632738 /nfs/dbraw/zinc/63/27/38/586632738.db2.gz VTTWTTCNICUSOZ-UHFFFAOYSA-N 0 0 243.284 2.177 20 5 BEBDRN CC(=O)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000814774786 586633138 /nfs/dbraw/zinc/63/31/38/586633138.db2.gz DMNOISKAAGGGCA-UHFFFAOYSA-N 0 0 229.619 2.216 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)CC(C)(C)C1CC1 ZINC000816096570 586707958 /nfs/dbraw/zinc/70/79/58/586707958.db2.gz FXCCXBKUXFEIDT-MRVPVSSYSA-N 0 0 229.276 2.021 20 5 BEBDRN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC2 ZINC000817236609 586789192 /nfs/dbraw/zinc/78/91/92/586789192.db2.gz TYGZEMGKNDWULN-NSHDSACASA-N 0 0 247.250 2.438 20 5 BEBDRN O=C(OCc1cccc([N+](=O)[O-])c1)[C@H]1CC12CC2 ZINC000817236005 586789211 /nfs/dbraw/zinc/78/92/11/586789211.db2.gz OMYHFOICCKURFH-LLVKDONJSA-N 0 0 247.250 2.438 20 5 BEBDRN CC(C)=CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819920799 587001895 /nfs/dbraw/zinc/00/18/95/587001895.db2.gz RPJQILZSCGONJP-UHFFFAOYSA-N 0 0 235.243 2.082 20 5 BEBDRN C=C=CCNc1ncc([N+](=O)[O-])cc1C ZINC000820586791 587056917 /nfs/dbraw/zinc/05/69/17/587056917.db2.gz QSNTVTNZSNEOCR-UHFFFAOYSA-N 0 0 205.217 2.051 20 5 BEBDRN CC(C)(CCC(=O)NC1CCCCC1)[N+](=O)[O-] ZINC000822122752 587154679 /nfs/dbraw/zinc/15/46/79/587154679.db2.gz YHZYGFSJJJDJQC-UHFFFAOYSA-N 0 0 242.319 2.271 20 5 BEBDRN CC[C@@H](C)N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822928831 587193760 /nfs/dbraw/zinc/19/37/60/587193760.db2.gz HQGZYZQPGNZPNU-SECBINFHSA-N 0 0 230.308 2.079 20 5 BEBDRN CC(C)C(C)(C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823065336 587200715 /nfs/dbraw/zinc/20/07/15/587200715.db2.gz JTPJQNTWQCZKGO-UHFFFAOYSA-N 0 0 244.335 2.373 20 5 BEBDRN C[C@H]1CCC[C@@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823128826 587204173 /nfs/dbraw/zinc/20/41/73/587204173.db2.gz IYINYACEYHEDPH-UWVGGRQHSA-N 0 0 242.319 2.127 20 5 BEBDRN CCC1(NC(=O)CCC(C)(C)[N+](=O)[O-])CCC1 ZINC000826813922 587363199 /nfs/dbraw/zinc/36/31/99/587363199.db2.gz XPIDDPXIXURAQJ-UHFFFAOYSA-N 0 0 242.319 2.271 20 5 BEBDRN CCOC1(C)CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000828365411 587438591 /nfs/dbraw/zinc/43/85/91/587438591.db2.gz VFFNMMJEPCRFCG-UHFFFAOYSA-N 0 0 236.271 2.210 20 5 BEBDRN CCc1nc(CNc2ccc([N+](=O)[O-])cn2)co1 ZINC000829177806 587486997 /nfs/dbraw/zinc/48/69/97/587486997.db2.gz MEHJZWRAADCVBN-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN O=C(OCc1cccc([N+](=O)[O-])c1)C1(F)CC1 ZINC000830765663 587569134 /nfs/dbraw/zinc/56/91/34/587569134.db2.gz UGMLBSFVIFKPDU-UHFFFAOYSA-N 0 0 239.202 2.140 20 5 BEBDRN C[C@H]1C[C@@H]1c1noc(CCC(C)(C)[N+](=O)[O-])n1 ZINC000834620806 587761435 /nfs/dbraw/zinc/76/14/35/587761435.db2.gz WWQKLKCNKBEPBC-YUMQZZPRSA-N 0 0 239.275 2.181 20 5 BEBDRN CC(C)(CCc1nc(C2(C)CC2)no1)[N+](=O)[O-] ZINC000834882533 587769300 /nfs/dbraw/zinc/76/93/00/587769300.db2.gz RKFQOJBIOLSUBH-UHFFFAOYSA-N 0 0 239.275 2.109 20 5 BEBDRN CC1CC(OC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000835455277 587803019 /nfs/dbraw/zinc/80/30/19/587803019.db2.gz RCYUVVMDAZXXJA-UHFFFAOYSA-N 0 0 229.276 2.164 20 5 BEBDRN CC(C)CCCC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000835454969 587803021 /nfs/dbraw/zinc/80/30/21/587803021.db2.gz LOMFYFNFXUNXBT-VIFPVBQESA-N 0 0 217.265 2.021 20 5 BEBDRN CC(C)(CCC(=O)OC[C@H]1CC1(C)C)[N+](=O)[O-] ZINC000835455386 587803143 /nfs/dbraw/zinc/80/31/43/587803143.db2.gz VVSRUXOLMZCRQZ-SECBINFHSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1=CCC(C)(C)CC1 ZINC000835467760 587803714 /nfs/dbraw/zinc/80/37/14/587803714.db2.gz TWSHAYKAYQZEHT-SECBINFHSA-N 0 0 241.287 2.331 20 5 BEBDRN CC(C)CCCC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000835466708 587803742 /nfs/dbraw/zinc/80/37/42/587803742.db2.gz LFXJVUNIUUNTNE-SECBINFHSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@@H]1CCC[C@@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000840669570 587915645 /nfs/dbraw/zinc/91/56/45/587915645.db2.gz CVFMQJBTHCALQN-GWOFURMSSA-N 0 0 241.287 2.021 20 5 BEBDRN Cc1ccc(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)c1 ZINC000840674119 587916150 /nfs/dbraw/zinc/91/61/50/587916150.db2.gz HOKSPLPSTBIDTO-VXGBXAGGSA-N 0 0 249.266 2.012 20 5 BEBDRN CC[C@@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H](C)CC ZINC000842374922 588022577 /nfs/dbraw/zinc/02/25/77/588022577.db2.gz ZNXMYBKDRRQFIR-SGIHWFKDSA-N 0 0 229.276 2.020 20 5 BEBDRN Cc1ccc(OC(=O)C2(F)CC2)cc1[N+](=O)[O-] ZINC000842742457 588058132 /nfs/dbraw/zinc/05/81/32/588058132.db2.gz WTFRKIUCHYCHAD-UHFFFAOYSA-N 0 0 239.202 2.311 20 5 BEBDRN C/C=C(/C)COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000842853082 588070582 /nfs/dbraw/zinc/07/05/82/588070582.db2.gz RWIBXBOLDGQTRK-YWEYNIOJSA-N 0 0 238.243 2.056 20 5 BEBDRN C[C@H]1C[C@@H]1C(N)=NOCc1ccc([N+](=O)[O-])cc1 ZINC000848514403 588388961 /nfs/dbraw/zinc/38/89/61/588388961.db2.gz NOYMBLSHUQXKPX-KWQFWETISA-N 0 0 249.270 2.249 20 5 BEBDRN C[C@@H]1C[C@@H]1C(N)=NOCc1ccccc1[N+](=O)[O-] ZINC000848519184 588390075 /nfs/dbraw/zinc/39/00/75/588390075.db2.gz MNLNOXBPNLMJRC-SCZZXKLOSA-N 0 0 249.270 2.249 20 5 BEBDRN CC(C)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000849156926 588457081 /nfs/dbraw/zinc/45/70/81/588457081.db2.gz LQTZPSPHAPDLSN-UHFFFAOYSA-N 0 0 248.242 2.465 20 5 BEBDRN CCCC[C@](C)(F)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000851035951 588585447 /nfs/dbraw/zinc/58/54/47/588585447.db2.gz ACPPUAZBWHKFEB-WPRPVWTQSA-N 0 0 235.255 2.113 20 5 BEBDRN CCCC[C@@](C)(F)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000851044234 588586624 /nfs/dbraw/zinc/58/66/24/588586624.db2.gz CEUGOEWYGVYKPJ-PSASIEDQSA-N 0 0 235.255 2.113 20 5 BEBDRN CC(C)(C)CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851123669 588590064 /nfs/dbraw/zinc/59/00/64/588590064.db2.gz VEFCAQSKIVQUSI-UHFFFAOYSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@@H]1CC/C(=C\C(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851125445 588592210 /nfs/dbraw/zinc/59/22/10/588592210.db2.gz DICQYFLFTRDQGM-YIXGCBLDSA-N 0 0 241.287 2.331 20 5 BEBDRN C[C@H]1CC/C(=C/C(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851125440 588592285 /nfs/dbraw/zinc/59/22/85/588592285.db2.gz DICQYFLFTRDQGM-CBFJXKFUSA-N 0 0 241.287 2.331 20 5 BEBDRN CC(C)(COC(=O)CCC(C)(F)F)[N+](=O)[O-] ZINC000851124668 588592248 /nfs/dbraw/zinc/59/22/48/588592248.db2.gz HJMTVKQASBPFEE-UHFFFAOYSA-N 0 0 239.218 2.020 20 5 BEBDRN Cc1ccc(C(=O)OCC(C)(C)[N+](=O)[O-])s1 ZINC000851123835 588592315 /nfs/dbraw/zinc/59/23/15/588592315.db2.gz WPVZYXFAEVMWEA-UHFFFAOYSA-N 0 0 243.284 2.269 20 5 BEBDRN CC(C)(COC(=O)/C=C/c1ccccc1)[N+](=O)[O-] ZINC000851123863 588592342 /nfs/dbraw/zinc/59/23/42/588592342.db2.gz XEIUNDTWXVCPGM-CMDGGOBGSA-N 0 0 249.266 2.298 20 5 BEBDRN C[C@H]1CCC[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851125937 588592555 /nfs/dbraw/zinc/59/25/55/588592555.db2.gz IYLWPEKOLQHSJD-UWVGGRQHSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)(COC(=O)C(C1CC1)C1CC1)[N+](=O)[O-] ZINC000851127315 588592637 /nfs/dbraw/zinc/59/26/37/588592637.db2.gz TXFVSOSCXIORGR-UHFFFAOYSA-N 0 0 241.287 2.021 20 5 BEBDRN C[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])C1CCCC1 ZINC000851126888 588592807 /nfs/dbraw/zinc/59/28/07/588592807.db2.gz PWJLFRPGXQFIII-VIFPVBQESA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)[C@]1(C)C[C@@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128427 588592992 /nfs/dbraw/zinc/59/29/92/588592992.db2.gz WFYJRXNDPWFGRM-SKDRFNHKSA-N 0 0 243.303 2.267 20 5 BEBDRN CC(C)C(C)(C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128110 588593053 /nfs/dbraw/zinc/59/30/53/588593053.db2.gz IUXJAJOCSBKMOD-UHFFFAOYSA-N 0 0 231.292 2.267 20 5 BEBDRN CC(C)(COC(=O)[C@@H]1CCC1(C)C)[N+](=O)[O-] ZINC000851129583 588593159 /nfs/dbraw/zinc/59/31/59/588593159.db2.gz KARYLAJBBQJBKJ-QMMMGPOBSA-N 0 0 229.276 2.021 20 5 BEBDRN CCCC[C@@H](C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851130219 588593426 /nfs/dbraw/zinc/59/34/26/588593426.db2.gz SWTQSHSMUURUDA-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@@H]1CCCC[C@@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851130001 588593496 /nfs/dbraw/zinc/59/34/96/588593496.db2.gz TXHYDTMNPBMMJI-ZJUUUORDSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@@H](COC(=O)c1ccc(C(F)F)o1)[N+](=O)[O-] ZINC000860777839 589119417 /nfs/dbraw/zinc/11/94/17/589119417.db2.gz XDUWJISJEWCOOV-YFKPBYRVSA-N 0 0 249.169 2.039 20 5 BEBDRN CCCC[C@@H](CC)C(=O)OCCC[N+](=O)[O-] ZINC000860913032 589131187 /nfs/dbraw/zinc/13/11/87/589131187.db2.gz MEFLQDPHOPWGFV-SNVBAGLBSA-N 0 0 231.292 2.413 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])c1ccccc1Cl ZINC000860911341 589131345 /nfs/dbraw/zinc/13/13/45/589131345.db2.gz KBSZWQYGTYUSBG-UHFFFAOYSA-N 0 0 243.646 2.164 20 5 BEBDRN CCC(C)(C)CC(=O)OCCC[N+](=O)[O-] ZINC000860917151 589131545 /nfs/dbraw/zinc/13/15/45/589131545.db2.gz GGYIFSAZVMQZOS-UHFFFAOYSA-N 0 0 217.265 2.023 20 5 BEBDRN C=Cc1ccc(C(=O)OCCC[N+](=O)[O-])cc1 ZINC000860918510 589131841 /nfs/dbraw/zinc/13/18/41/589131841.db2.gz KPSHFADQHVELRH-UHFFFAOYSA-N 0 0 235.239 2.153 20 5 BEBDRN CC(C)(CC(=O)OCCC[N+](=O)[O-])C1CC1 ZINC000860918332 589131883 /nfs/dbraw/zinc/13/18/83/589131883.db2.gz HQPCDRDWJBXJNN-UHFFFAOYSA-N 0 0 229.276 2.023 20 5 BEBDRN CC[C@@H]1CCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860918596 589132013 /nfs/dbraw/zinc/13/20/13/589132013.db2.gz MWKYHNCWMRQXNM-NXEZZACHSA-N 0 0 229.276 2.023 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])[C@H]1C[C@@H]1C1CCCC1 ZINC000860919800 589132154 /nfs/dbraw/zinc/13/21/54/589132154.db2.gz WAVFYEMDMVSXOQ-MNOVXSKESA-N 0 0 241.287 2.023 20 5 BEBDRN CC(C)CCCC(=O)OCCC[N+](=O)[O-] ZINC000860919181 589132296 /nfs/dbraw/zinc/13/22/96/589132296.db2.gz UZJPJLXEIRUTRO-UHFFFAOYSA-N 0 0 217.265 2.023 20 5 BEBDRN C[C@@H]1CCC[C@]1(C)C(=O)OCCC[N+](=O)[O-] ZINC000860918616 589132313 /nfs/dbraw/zinc/13/23/13/589132313.db2.gz AXTNWYFBIRUFPF-KOLCDFICSA-N 0 0 229.276 2.023 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])[C@H]1C[C@H]1C1CCCC1 ZINC000860919801 589132328 /nfs/dbraw/zinc/13/23/28/589132328.db2.gz WAVFYEMDMVSXOQ-QWRGUYRKSA-N 0 0 241.287 2.023 20 5 BEBDRN CC1(C)CCCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860921262 589132442 /nfs/dbraw/zinc/13/24/42/589132442.db2.gz SBAPRHIVEUJOSE-JTQLQIEISA-N 0 0 243.303 2.413 20 5 BEBDRN O=C(O[C@H]1CCC=CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000861228623 589153671 /nfs/dbraw/zinc/15/36/71/589153671.db2.gz LRFNJDVJKPNDBL-HBNTYKKESA-N 0 0 239.271 2.084 20 5 BEBDRN CCCOCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000863249401 589274865 /nfs/dbraw/zinc/27/48/65/589274865.db2.gz XKOFFWKXUDNMKN-UHFFFAOYSA-N 0 0 241.243 2.366 20 5 BEBDRN C[C@@H](Cn1ncc([N+](=O)[O-])n1)C1CCCCC1 ZINC000863371325 589284398 /nfs/dbraw/zinc/28/43/98/589284398.db2.gz MQNABBLOVKGTOR-VIFPVBQESA-N 0 0 238.291 2.403 20 5 BEBDRN CCC(C)(C)CCn1ncc([N+](=O)[O-])n1 ZINC000863372374 589284453 /nfs/dbraw/zinc/28/44/53/589284453.db2.gz TVXSTHOCUKTPSL-UHFFFAOYSA-N 0 0 212.253 2.013 20 5 BEBDRN Cc1ccccc1CCCn1ncc([N+](=O)[O-])n1 ZINC000863373661 589284866 /nfs/dbraw/zinc/28/48/66/589284866.db2.gz ANKYIUWCOUGJLN-UHFFFAOYSA-N 0 0 246.270 2.128 20 5 BEBDRN C[C@@H](Cn1cnc([N+](=O)[O-])n1)CC(C)(C)C ZINC000865354841 589424476 /nfs/dbraw/zinc/42/44/76/589424476.db2.gz XMJJJDGZZNLNIZ-MRVPVSSYSA-N 0 0 226.280 2.259 20 5 BEBDRN Cc1cnc(OCOCC(C)C)c([N+](=O)[O-])c1 ZINC000865358426 589425384 /nfs/dbraw/zinc/42/53/84/589425384.db2.gz AIVRLPIMWDVSPB-UHFFFAOYSA-N 0 0 240.259 2.307 20 5 BEBDRN O=[N+]([O-])c1sccc1NOC[C@H]1CCOC1 ZINC000865720253 589458153 /nfs/dbraw/zinc/45/81/53/589458153.db2.gz AIBFPJVYHDDRFH-ZETCQYMHSA-N 0 0 244.272 2.036 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC=C(Cl)C2)nc1 ZINC000865905751 589467906 /nfs/dbraw/zinc/46/79/06/589467906.db2.gz VCYAJAFAYCBGDN-UHFFFAOYSA-N 0 0 239.662 2.323 20 5 BEBDRN CS[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000866102040 589476190 /nfs/dbraw/zinc/47/61/90/589476190.db2.gz DTCDHFIJFRVNGO-XWEPSHTISA-N 0 0 239.300 2.296 20 5 BEBDRN C/C=C\C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000869355070 589600560 /nfs/dbraw/zinc/60/05/60/589600560.db2.gz BYJARRXGTHXIDN-IHWYPQMZSA-N 0 0 232.239 2.060 20 5 BEBDRN CO[C@H]1C[C@@H](COc2ccccc2[N+](=O)[O-])C1 ZINC000871630918 589779460 /nfs/dbraw/zinc/77/94/60/589779460.db2.gz XQYNCTIJNZXYLE-AOOOYVTPSA-N 0 0 237.255 2.399 20 5 BEBDRN CCC[C@H](CC)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000873533506 590053131 /nfs/dbraw/zinc/05/31/31/590053131.db2.gz AYNIQYYKCUOYSL-IUCAKERBSA-N 0 0 217.265 2.021 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CC=CC2)c2nonc21 ZINC000125038815 590115131 /nfs/dbraw/zinc/11/51/31/590115131.db2.gz PFBGYXNRKVOGRA-UHFFFAOYSA-N 0 0 246.226 2.262 20 5 BEBDRN Cc1ccc(CNC(=O)C2=CCC2)cc1[N+](=O)[O-] ZINC000876364226 590196356 /nfs/dbraw/zinc/19/63/56/590196356.db2.gz CCMZBUVPMSWJGR-UHFFFAOYSA-N 0 0 246.266 2.240 20 5 BEBDRN C=C/C=C\CCn1cc(C)c([N+](=O)[O-])n1 ZINC000877881537 590437562 /nfs/dbraw/zinc/43/75/62/590437562.db2.gz KIFKSKKKWJTIQS-PLNGDYQASA-N 0 0 207.233 2.232 20 5 BEBDRN C=C/C=C/CCn1c(C)ncc1[N+](=O)[O-] ZINC000877887704 590439692 /nfs/dbraw/zinc/43/96/92/590439692.db2.gz RGCFRYYOVUYSDR-SNAWJCMRSA-N 0 0 207.233 2.232 20 5 BEBDRN O=[N+]([O-])c1ccnn1CCSC(F)(F)F ZINC000877887727 590439711 /nfs/dbraw/zinc/43/97/11/590439711.db2.gz RULQDWRDHOYKDP-UHFFFAOYSA-N 0 0 241.194 2.044 20 5 BEBDRN O=[N+]([O-])c1cnn(CC2CCC3(CC3)CC2)n1 ZINC000877891880 590441205 /nfs/dbraw/zinc/44/12/05/590441205.db2.gz YXDJRNPBCPSADW-UHFFFAOYSA-N 0 0 236.275 2.157 20 5 BEBDRN CC(C)CN(C)c1ccnc(F)c1[N+](=O)[O-] ZINC000881858814 591275033 /nfs/dbraw/zinc/27/50/33/591275033.db2.gz VLTLKTCMFBCVRH-UHFFFAOYSA-N 0 0 227.239 2.221 20 5 BEBDRN CN(CC1CCC1)c1ccnc(F)c1[N+](=O)[O-] ZINC000881967182 591284602 /nfs/dbraw/zinc/28/46/02/591284602.db2.gz BHGBRPMCDSLUQU-UHFFFAOYSA-N 0 0 239.250 2.365 20 5 BEBDRN CC(C)[C@@H](O)CCOc1cccc([N+](=O)[O-])c1 ZINC000882035316 591290343 /nfs/dbraw/zinc/29/03/43/591290343.db2.gz HLYYVZXDAHUPPS-LBPRGKRZSA-N 0 0 239.271 2.381 20 5 BEBDRN C[C@@H](O)CSc1sccc1[N+](=O)[O-] ZINC000882737141 591424519 /nfs/dbraw/zinc/42/45/19/591424519.db2.gz AMGIRWLOTOANST-RXMQYKEDSA-N 0 0 219.287 2.129 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC2(CC3CC3)CC2)nc1 ZINC000882774331 591435636 /nfs/dbraw/zinc/43/56/36/591435636.db2.gz DDKSAXLPXRQNTE-UHFFFAOYSA-N 0 0 248.286 2.377 20 5 BEBDRN CO[C@H]1C[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000882798051 591443061 /nfs/dbraw/zinc/44/30/61/591443061.db2.gz OGXBADLVCZELQB-ZKCHVHJHSA-N 0 0 242.300 2.493 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](CF)C2)nc1 ZINC000882800813 591443066 /nfs/dbraw/zinc/44/30/66/591443066.db2.gz PWXGDDVDUBPGNU-VIFPVBQESA-N 0 0 239.250 2.176 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@@H](CF)C1 ZINC000882842245 591452217 /nfs/dbraw/zinc/45/22/17/591452217.db2.gz QLYKTEVYBPVOBG-VIFPVBQESA-N 0 0 224.235 2.391 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCCc1ccncc1 ZINC000135047054 591979731 /nfs/dbraw/zinc/97/97/31/591979731.db2.gz CHWKAYRXAXPRGE-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN Cc1ccc(N2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000884587540 591987970 /nfs/dbraw/zinc/98/79/70/591987970.db2.gz LAUZCUZWCHVKSJ-AOOOYVTPSA-N 0 0 218.256 2.359 20 5 BEBDRN C/C=C/C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000136331766 592107297 /nfs/dbraw/zinc/10/72/97/592107297.db2.gz XFAPBSLXTOPBGU-ONEGZZNKSA-N 0 0 236.227 2.118 20 5 BEBDRN CC[N@@H+](Cc1cccnc1[N+](=O)[O-])CC(C)C ZINC000885951652 592114218 /nfs/dbraw/zinc/11/42/18/592114218.db2.gz MZFHNKIQYGZWIX-UHFFFAOYSA-N 0 0 237.303 2.468 20 5 BEBDRN CC1=CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886086336 592144939 /nfs/dbraw/zinc/14/49/39/592144939.db2.gz IUTMBPDTLPUVOB-UHFFFAOYSA-N 0 0 233.271 2.142 20 5 BEBDRN O=[N+]([O-])c1ncccc1CN1CCC=C(F)C1 ZINC000886102634 592155732 /nfs/dbraw/zinc/15/57/32/592155732.db2.gz LTSNHPIYIMUYBI-UHFFFAOYSA-N 0 0 237.234 2.049 20 5 BEBDRN O=[N+]([O-])c1ncccc1C[NH2+]C1(C2CC2)CC1 ZINC000886127775 592158813 /nfs/dbraw/zinc/15/88/13/592158813.db2.gz SPDPBMCJPQMRKW-UHFFFAOYSA-N 0 0 233.271 2.022 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@@H]2C1 ZINC000887984699 592565429 /nfs/dbraw/zinc/56/54/29/592565429.db2.gz NWYUSSKGLBQCKP-DTORHVGOSA-N 0 0 247.254 2.078 20 5 BEBDRN COCCNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000234660542 635558171 /nfs/dbraw/zinc/55/81/71/635558171.db2.gz YWWBOVQKNMDIHY-UHFFFAOYSA-N 0 0 248.641 2.446 20 5 BEBDRN CN(C(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000335410884 631231425 /nfs/dbraw/zinc/23/14/25/631231425.db2.gz YMACGENCOAKUAT-UHFFFAOYSA-N 0 0 236.271 2.465 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)C1=CCC1 ZINC000779739526 631271529 /nfs/dbraw/zinc/27/15/29/631271529.db2.gz ABFYCTPMGIRJHU-UHFFFAOYSA-N 0 0 249.222 2.229 20 5 BEBDRN CCCCN(C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000248128793 632098440 /nfs/dbraw/zinc/09/84/40/632098440.db2.gz PRMOJENMDGDPHA-UHFFFAOYSA-N 0 0 248.286 2.479 20 5 BEBDRN C[C@@H]1C[C@H]1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255576244 632428173 /nfs/dbraw/zinc/42/81/73/632428173.db2.gz INIMJRGIUNMACQ-BAXLLTQGSA-N 0 0 246.266 2.133 20 5 BEBDRN O=[N+]([O-])c1sccc1NCc1ccon1 ZINC000308935946 632524093 /nfs/dbraw/zinc/52/40/93/632524093.db2.gz OEBCYQMQZJSNMD-UHFFFAOYSA-N 0 0 225.229 2.256 20 5 BEBDRN COC(=O)C[C@H](C)Nc1sccc1[N+](=O)[O-] ZINC000309584332 632549509 /nfs/dbraw/zinc/54/95/09/632549509.db2.gz RHPYAUVTFVRETR-LURJTMIESA-N 0 0 244.272 2.020 20 5 BEBDRN Cc1noc(NCc2cccc([N+](=O)[O-])c2C)n1 ZINC000235965540 632857063 /nfs/dbraw/zinc/85/70/63/632857063.db2.gz QAUPEXHJTJBYLX-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000072508504 633100595 /nfs/dbraw/zinc/10/05/95/633100595.db2.gz BEGGJOPFNDWUAW-OIBJUYFYSA-N 0 0 221.212 2.156 20 5 BEBDRN CC(C)[C@H](C)Sc1c([N+](=O)[O-])cnn1C ZINC000892732212 633206746 /nfs/dbraw/zinc/20/67/46/633206746.db2.gz VXSDWEUHZSTZSN-ZETCQYMHSA-N 0 0 229.305 2.465 20 5 BEBDRN COC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000185046657 636133546 /nfs/dbraw/zinc/13/35/46/636133546.db2.gz PSKQMOVEPBBTCO-BQYQJAHWSA-N 0 0 221.212 2.171 20 5 BEBDRN O=[N+]([O-])c1cc([N+](=O)[O-])cc(N2CC=CCC2)c1 ZINC000893102659 633835646 /nfs/dbraw/zinc/83/56/46/633835646.db2.gz BEXLOSDPGVAIGM-UHFFFAOYSA-N 0 0 249.226 2.269 20 5 BEBDRN O=[N+]([O-])c1ccnn1CN1CCCCCCC1 ZINC000123114478 634205857 /nfs/dbraw/zinc/20/58/57/634205857.db2.gz NTSMQYCRWQVENJ-UHFFFAOYSA-N 0 0 238.291 2.015 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]3CC[C@@H]2O3)n1 ZINC000162644070 634250942 /nfs/dbraw/zinc/25/09/42/634250942.db2.gz BYQZSAVVAFXRHC-KKZNHRDASA-N 0 0 249.270 2.030 20 5 BEBDRN CC(=O)CCSc1ccc([N+](=O)[O-])cn1 ZINC000075321195 634309764 /nfs/dbraw/zinc/30/97/64/634309764.db2.gz UTTZQZRQOLQFLS-UHFFFAOYSA-N 0 0 226.257 2.061 20 5 BEBDRN CCC[C@@H](C)CC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814043945 635749743 /nfs/dbraw/zinc/74/97/43/635749743.db2.gz LZJOAUGPBFIOPM-RKDXNWHRSA-N 0 0 217.265 2.021 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)C1CC1 ZINC000079202657 636279338 /nfs/dbraw/zinc/27/93/38/636279338.db2.gz ZZYXDIGIJMWHRH-UHFFFAOYSA-N 0 0 221.212 2.219 20 5 BEBDRN CCc1nn(C)c(NC/C=C/Cl)c1[N+](=O)[O-] ZINC000897504806 636729696 /nfs/dbraw/zinc/72/96/96/636729696.db2.gz FGSFZDPIYWMNQT-SNAWJCMRSA-N 0 0 244.682 2.055 20 5 BEBDRN CC(C)C1(c2ccccc2)CN(CC[N+](=O)[O-])C1 ZINC000899887532 637149244 /nfs/dbraw/zinc/14/92/44/637149244.db2.gz CADNOLFPNNIWMH-UHFFFAOYSA-N 0 0 248.326 2.173 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2nc(C3CC3)ns2)cn1 ZINC000904799771 637491823 /nfs/dbraw/zinc/49/18/23/637491823.db2.gz QIWKQLJLFGLUAC-UHFFFAOYSA-N 0 0 248.267 2.386 20 5 BEBDRN O=[N+]([O-])CCNc1cccc(CC(F)(F)F)c1 ZINC000905326661 637758190 /nfs/dbraw/zinc/75/81/90/637758190.db2.gz WEANJWSRVAXGEH-UHFFFAOYSA-N 0 0 248.204 2.480 20 5 BEBDRN COC(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000907456297 638387132 /nfs/dbraw/zinc/38/71/32/638387132.db2.gz INFQBCMPVZZPBY-MRVPVSSYSA-N 0 0 238.243 2.054 20 5 BEBDRN CC[C@@H](NCC[N+](=O)[O-])c1ccccc1OC ZINC000930200855 639637312 /nfs/dbraw/zinc/63/73/12/639637312.db2.gz LSWWISPHTYEDSS-LLVKDONJSA-N 0 0 238.287 2.013 20 5 BEBDRN C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930492219 639780652 /nfs/dbraw/zinc/78/06/52/639780652.db2.gz FDWAHHDAMRQLTL-QWRGUYRKSA-N 0 0 228.336 2.410 20 5 BEBDRN CC1(C)C[N@H+](CC[N+](=O)[O-])CCc2ccccc21 ZINC000930928557 639992175 /nfs/dbraw/zinc/99/21/75/639992175.db2.gz SNKNSQXCMBAJMC-UHFFFAOYSA-N 0 0 248.326 2.099 20 5 BEBDRN CC(C)c1ccc2c(c1)CN(CC[N+](=O)[O-])CC2 ZINC000930964116 640001628 /nfs/dbraw/zinc/00/16/28/640001628.db2.gz ZOWWFURGRBKFLE-UHFFFAOYSA-N 0 0 248.326 2.445 20 5 BEBDRN CCOC[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000044689977 640449586 /nfs/dbraw/zinc/44/95/86/640449586.db2.gz LNOXOEXIRPBRMS-SNVBAGLBSA-N 0 0 238.287 2.109 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)c(CSCCO)c1 ZINC000036335904 640501667 /nfs/dbraw/zinc/50/16/67/640501667.db2.gz NBYDIUDJODTUKB-UHFFFAOYSA-N 0 0 247.703 2.474 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000057383198 640603041 /nfs/dbraw/zinc/60/30/41/640603041.db2.gz SYUYIURUHBBKGZ-XPUUQOCRSA-N 0 0 238.218 2.328 20 5 BEBDRN C[C@H]1CCC(=O)CN1Cc1ccccc1[N+](=O)[O-] ZINC000932866360 640629834 /nfs/dbraw/zinc/62/98/34/640629834.db2.gz LDFLHASTAOKDCQ-JTQLQIEISA-N 0 0 248.282 2.148 20 5 BEBDRN C/C=C/C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000087851438 641087338 /nfs/dbraw/zinc/08/73/38/641087338.db2.gz IKNILZPHCGVOHZ-ZZXKWVIFSA-N 0 0 234.255 2.129 20 5 BEBDRN Nc1ccc(NCc2ccco2)c([N+](=O)[O-])c1 ZINC000071536711 641148555 /nfs/dbraw/zinc/14/85/55/641148555.db2.gz KBZIEKFHXWYTHN-UHFFFAOYSA-N 0 0 233.227 2.382 20 5 BEBDRN CCCOC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000063236212 641148892 /nfs/dbraw/zinc/14/88/92/641148892.db2.gz BNWUXMRGMSFXJK-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN CC(C)=CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000049379746 641717485 /nfs/dbraw/zinc/71/74/85/641717485.db2.gz UZCHBGSEURQTNZ-UHFFFAOYSA-N 0 0 234.255 2.177 20 5 BEBDRN CCCCCCC(=O)Cn1ccnc1[N+](=O)[O-] ZINC000918379166 642192704 /nfs/dbraw/zinc/19/27/04/642192704.db2.gz UZYYCXCIAXXXTL-UHFFFAOYSA-N 0 0 239.275 2.331 20 5 BEBDRN O=[N+]([O-])c1nccn1C1CC(CF)(CF)C1 ZINC000918396991 642193080 /nfs/dbraw/zinc/19/30/80/642193080.db2.gz QTRWLCQVUCMZPL-UHFFFAOYSA-N 0 0 231.202 2.052 20 5 BEBDRN CC1(C)CCC[C@@H](Cn2ccnc2[N+](=O)[O-])O1 ZINC000918397066 642193587 /nfs/dbraw/zinc/19/35/87/642193587.db2.gz VAGHIOKFQAGPEK-VIFPVBQESA-N 0 0 239.275 2.139 20 5 BEBDRN O=C(OCc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000919037588 642293224 /nfs/dbraw/zinc/29/32/24/642293224.db2.gz VLXSBZCYXSMIEL-UHFFFAOYSA-N 0 0 241.268 2.500 20 5 BEBDRN CSCCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000072557350 643263591 /nfs/dbraw/zinc/26/35/91/643263591.db2.gz KZFYPPJKZRYXSD-UHFFFAOYSA-N 0 0 241.268 2.115 20 5 BEBDRN C[C@H](O)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000840769207 643538489 /nfs/dbraw/zinc/53/84/89/643538489.db2.gz VKJHURIPIIAGFP-LURJTMIESA-N 0 0 231.635 2.008 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000057383196 644153261 /nfs/dbraw/zinc/15/32/61/644153261.db2.gz SYUYIURUHBBKGZ-SVRRBLITSA-N 0 0 238.218 2.328 20 5 BEBDRN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000228504750 644163964 /nfs/dbraw/zinc/16/39/64/644163964.db2.gz BISUDBUDQHXTHO-SSDOTTSWSA-N 0 0 230.214 2.338 20 5 BEBDRN CC(=O)Oc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000193714002 644274566 /nfs/dbraw/zinc/27/45/66/644274566.db2.gz LLZBZSXJRVJBNX-UHFFFAOYSA-N 0 0 209.201 2.137 20 5 BEBDRN Cc1c(C(=O)Nc2ccon2)cccc1[N+](=O)[O-] ZINC000194924288 644352568 /nfs/dbraw/zinc/35/25/68/644352568.db2.gz SQTOJUNTWOVVML-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1Cn1cccn1 ZINC000090484786 644594115 /nfs/dbraw/zinc/59/41/15/644594115.db2.gz AMLXNQZVDPLXNF-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN COc1cc(F)c([N+](=O)[O-])c(N2CC=CC2)c1 ZINC000845564010 645366849 /nfs/dbraw/zinc/36/68/49/645366849.db2.gz MLYKBHMNTWTKOV-UHFFFAOYSA-N 0 0 238.218 2.119 20 5 BEBDRN C[C@@H](COC(=O)c1cccc(C2CC2)c1)[N+](=O)[O-] ZINC000847714465 645433692 /nfs/dbraw/zinc/43/36/92/645433692.db2.gz VCCLWBWSZCKELY-VIFPVBQESA-N 0 0 249.266 2.386 20 5 BEBDRN O=C(CCCF)Nc1cc([N+](=O)[O-])ccc1F ZINC000857571811 645616642 /nfs/dbraw/zinc/61/66/42/645616642.db2.gz MXOHJAKGRAUCRI-UHFFFAOYSA-N 0 0 244.197 2.422 20 5 BEBDRN C[C@@H](NC(=O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000928247274 645718260 /nfs/dbraw/zinc/71/82/60/645718260.db2.gz UBCWGBCRAFFBET-MRVPVSSYSA-N 0 0 234.255 2.182 20 5 BEBDRN C[C@@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928247474 645719814 /nfs/dbraw/zinc/71/98/14/645719814.db2.gz VKXKHOIQBUKWEW-SBMIAAHKSA-N 0 0 248.282 2.428 20 5 BEBDRN Cc1ccc(-c2cc(CO)ccn2)cc1[N+](=O)[O-] ZINC000929061011 645931569 /nfs/dbraw/zinc/93/15/69/645931569.db2.gz OAFFQOSMAODDRZ-UHFFFAOYSA-N 0 0 244.250 2.458 20 5 BEBDRN CC(C)N(CC[N+](=O)[O-])Cc1ccccc1F ZINC000929380832 646104244 /nfs/dbraw/zinc/10/42/44/646104244.db2.gz VNAKMJVPUOFSFU-UHFFFAOYSA-N 0 0 240.278 2.313 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC=CCC2)cc1 ZINC000034108063 646215566 /nfs/dbraw/zinc/21/55/66/646215566.db2.gz ZXMWZOMMWJWWJZ-UHFFFAOYSA-N 0 0 204.229 2.361 20 5 BEBDRN C[C@@H]1c2c(F)cccc2CCN1CC[N+](=O)[O-] ZINC000929689246 646245350 /nfs/dbraw/zinc/24/53/50/646245350.db2.gz SUROQXVPYHNZMP-SECBINFHSA-N 0 0 238.262 2.022 20 5 BEBDRN O=[N+]([O-])c1cc(Cn2ccnc2)ccc1Cl ZINC000034423537 646667630 /nfs/dbraw/zinc/66/76/30/646667630.db2.gz BWIVSLKGPPEFIP-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN C[C@H]1C[C@H]1COc1ccc([N+](=O)[O-])cc1C=O ZINC000722674311 711463647 /nfs/dbraw/zinc/46/36/47/711463647.db2.gz MGOMYTHTKWJBMJ-WPRPVWTQSA-N 0 0 235.239 2.442 20 5 BEBDRN C[C@@H]1C[C@@H]1COc1cc(C=O)ccc1[N+](=O)[O-] ZINC000722674153 711463660 /nfs/dbraw/zinc/46/36/60/711463660.db2.gz LBEYVLZBNNBWJH-PSASIEDQSA-N 0 0 235.239 2.442 20 5 BEBDRN COCCNc1c(C)ccc([N+](=O)[O-])c1C ZINC000905106766 711812514 /nfs/dbraw/zinc/81/25/14/711812514.db2.gz ZNXAZUFWNXANNK-UHFFFAOYSA-N 0 0 224.260 2.270 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2CCOC2)cc1Cl ZINC000087543416 711837315 /nfs/dbraw/zinc/83/73/15/711837315.db2.gz IJNPHHOKTUYGHB-QMMMGPOBSA-N 0 0 243.646 2.416 20 5 BEBDRN CSCCOC(=O)c1ccc([N+](=O)[O-])s1 ZINC000916613887 711873718 /nfs/dbraw/zinc/87/37/18/711873718.db2.gz FJBGZHKRMUYWCS-UHFFFAOYSA-N 0 0 247.297 2.176 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NC[C@@]1(C)CC1(C)C ZINC000702328085 712046948 /nfs/dbraw/zinc/04/69/48/712046948.db2.gz ZHMFWKBSWKWMRJ-LLVKDONJSA-N 0 0 238.291 2.176 20 5 BEBDRN CC(=O)c1ccc(N2CC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC000707030741 712164272 /nfs/dbraw/zinc/16/42/72/712164272.db2.gz OCRFNMIPTPAUAN-CMPLNLGQSA-N 0 0 246.266 2.396 20 5 BEBDRN COC(C)(C)CCNc1ncc([N+](=O)[O-])s1 ZINC000711895518 712337945 /nfs/dbraw/zinc/33/79/45/712337945.db2.gz MPLQRCGNINPRGA-UHFFFAOYSA-N 0 0 245.304 2.278 20 5 BEBDRN C[C@@H]1COCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000754080791 712406128 /nfs/dbraw/zinc/40/61/28/712406128.db2.gz CVWGSJCLTAWZCX-QMMMGPOBSA-N 0 0 242.300 2.129 20 5 BEBDRN Cc1nccn1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000714027220 712477478 /nfs/dbraw/zinc/47/74/78/712477478.db2.gz DHTBCCDJMMNZDR-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN COC[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000714302528 712481686 /nfs/dbraw/zinc/48/16/86/712481686.db2.gz FKDLPJTXWQJJPG-JGZJWPJOSA-N 0 0 236.271 2.432 20 5 BEBDRN CO[C@H]1C[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000714592602 712488379 /nfs/dbraw/zinc/48/83/79/712488379.db2.gz LMIXBNZYWVBKCH-MGCOHNPYSA-N 0 0 236.271 2.432 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NCCCCC1CC1 ZINC000716398292 712557971 /nfs/dbraw/zinc/55/79/71/712557971.db2.gz LYIFMYIDWWTLKJ-UHFFFAOYSA-N 0 0 238.291 2.321 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1NC1CC(F)C1 ZINC001154833405 962864677 /nfs/dbraw/zinc/86/46/77/962864677.db2.gz YPVYGSFWIMMZCB-UHFFFAOYSA-N 0 0 229.186 2.041 20 5 BEBDRN CC[C@@H](C)[C@@H](C)Oc1ncncc1[N+](=O)[O-] ZINC001228654709 963884242 /nfs/dbraw/zinc/88/42/42/963884242.db2.gz MWXMEMZMZZJUBE-HTQZYQBOSA-N 0 0 225.248 2.198 20 5 BEBDRN CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000304453898 1166920023 /nfs/dbraw/zinc/92/00/23/1166920023.db2.gz WLFLNOHLMWCUTN-UHFFFAOYSA-N 0 0 240.234 2.182 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2C=CCCC2)cn1 ZINC001226709351 975038443 /nfs/dbraw/zinc/03/84/43/975038443.db2.gz HSNNWQCICZQNFH-SECBINFHSA-N 0 0 220.228 2.477 20 5 BEBDRN C[C@H](Cc1ccc([N+](=O)[O-])cc1)NCC(F)F ZINC001173213043 975076859 /nfs/dbraw/zinc/07/68/59/975076859.db2.gz CZVQNWTYEJWJSY-MRVPVSSYSA-N 0 0 244.241 2.381 20 5 BEBDRN O=C1CC(Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000309279118 1167280328 /nfs/dbraw/zinc/28/03/28/1167280328.db2.gz GDKJDXVDYPRVPU-UHFFFAOYSA-N 0 0 241.630 2.359 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC[C@H]1C[C@H]1C ZINC000309511062 1167323972 /nfs/dbraw/zinc/32/39/72/1167323972.db2.gz XHWBZZRFMXEYOF-VXNVDRBHSA-N 0 0 221.260 2.366 20 5 BEBDRN CC[C@@H](COc1cc([N+](=O)[O-])ccc1O)OC ZINC001229396093 976858479 /nfs/dbraw/zinc/85/84/79/976858479.db2.gz PRRHHCYPJJTLHY-VIFPVBQESA-N 0 0 241.243 2.104 20 5 BEBDRN CCC[C@@H](C)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001336465896 977703009 /nfs/dbraw/zinc/70/30/09/977703009.db2.gz OFPYJSZUZZKRBB-SSDOTTSWSA-N 0 0 224.264 2.173 20 5 BEBDRN C=CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC001120460395 1167673593 /nfs/dbraw/zinc/67/35/93/1167673593.db2.gz QLZGIPIPUDWSRQ-UHFFFAOYSA-N 0 0 234.255 2.132 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CCC[C@@H]1C ZINC001345002581 980516429 /nfs/dbraw/zinc/51/64/29/980516429.db2.gz YARLOMUDKRHRBK-GARJFASQSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC1(C)C ZINC001345689394 980670948 /nfs/dbraw/zinc/67/09/48/980670948.db2.gz GWLQWNUBXDKINX-DTWKUNHWSA-N 0 0 229.276 2.021 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H](CO)C(C)C ZINC000158683258 981328622 /nfs/dbraw/zinc/32/86/22/981328622.db2.gz SYEXIRVMTZQXBA-JTQLQIEISA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1c(OC[C@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000402421904 970801039 /nfs/dbraw/zinc/80/10/39/970801039.db2.gz CKNKDOVXRAVIOX-NSHDSACASA-N 0 0 237.255 2.053 20 5 BEBDRN N#CNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001157822911 970828410 /nfs/dbraw/zinc/82/84/10/970828410.db2.gz XCWSANYZRYOYKF-UHFFFAOYSA-N 0 0 214.184 2.036 20 5 BEBDRN Nc1cccnc1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216481101 971092281 /nfs/dbraw/zinc/09/22/81/971092281.db2.gz QVFYRHHMIQZFHX-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN C[C@H](O[C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC001217918187 971520202 /nfs/dbraw/zinc/52/02/02/971520202.db2.gz LQHOWOKKARLZJX-KPXOXKRLSA-N 0 0 237.255 2.196 20 5 BEBDRN Cc1cc(OC2CC(O)C2)cc([N+](=O)[O-])c1C ZINC001218258272 971660417 /nfs/dbraw/zinc/66/04/17/971660417.db2.gz AIUKVLWFZYUJKB-UHFFFAOYSA-N 0 0 237.255 2.114 20 5 BEBDRN Cc1[nH]c(=O)cc(O[C@H]2C=CCC2)c1[N+](=O)[O-] ZINC001228688080 1169638826 /nfs/dbraw/zinc/63/88/26/1169638826.db2.gz DIQQFRLIKCNREA-QMMMGPOBSA-N 0 0 236.227 2.101 20 5 BEBDRN Cc1[nH]c(=O)cc(O[C@H](C)C(C)C)c1[N+](=O)[O-] ZINC001228687567 1169638539 /nfs/dbraw/zinc/63/85/39/1169638539.db2.gz YPNGQVOILNKILG-MRVPVSSYSA-N 0 0 240.259 2.427 20 5 BEBDRN O=[N+]([O-])c1c(Cl)cccc1O[C@H]1C[C@H](O)C1 ZINC001218363842 971742874 /nfs/dbraw/zinc/74/28/74/971742874.db2.gz HOSJCMMSHQJRJG-LJGSYFOKSA-N 0 0 243.646 2.150 20 5 BEBDRN CCC=CNc1cc([N+](=O)[O-])c(OC)cn1 ZINC001170768026 971764806 /nfs/dbraw/zinc/76/48/06/971764806.db2.gz VMPUQCFAAABOMW-SNAWJCMRSA-N 0 0 223.232 2.334 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2C[C@@H](O)C2)cc1Cl ZINC001218416768 971792089 /nfs/dbraw/zinc/79/20/89/971792089.db2.gz DMKPQKSHFNVBGU-WRXNHJIOSA-N 0 0 243.646 2.150 20 5 BEBDRN CC[C@@H](C)[C@H](C)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229451099 1169664499 /nfs/dbraw/zinc/66/44/99/1169664499.db2.gz BZDHETANPOFAJZ-BDAKNGLRSA-N 0 0 240.259 2.042 20 5 BEBDRN Cc1cc(OC[C@H]2C[C@H](O)C2)cc([N+](=O)[O-])c1 ZINC001218426766 971806128 /nfs/dbraw/zinc/80/61/28/971806128.db2.gz GKDKWOCIOJCEEA-HOMQSWHASA-N 0 0 237.255 2.053 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(OC[C@H]2C[C@H](O)C2)cc1 ZINC001218428803 971808171 /nfs/dbraw/zinc/80/81/71/971808171.db2.gz ZQGLEQKAQJDTOO-VFPKKSJASA-N 0 0 249.266 2.084 20 5 BEBDRN Cc1c(Nc2cccc([N+](=O)[O-])c2)ncn1C ZINC001204439408 957410923 /nfs/dbraw/zinc/41/09/23/957410923.db2.gz FVWDYPPTJYFGKN-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Cc1c(Nc2ccc(O)c([N+](=O)[O-])c2)cnn1C ZINC001210393046 957743228 /nfs/dbraw/zinc/74/32/28/957743228.db2.gz UZIGALGTDQTROZ-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@]23C[C@H]2CCCC3)nc1 ZINC000693605875 958972027 /nfs/dbraw/zinc/97/20/27/958972027.db2.gz DKNQATGLULMAJE-SKDRFNHKSA-N 0 0 248.286 2.377 20 5 BEBDRN CC(=O)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC001167630131 959134902 /nfs/dbraw/zinc/13/49/02/959134902.db2.gz DWWBILDDHQDMMW-UHFFFAOYSA-N 0 0 245.238 2.144 20 5 BEBDRN Cc1cc(N[C@H]2COC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000688045814 959787291 /nfs/dbraw/zinc/78/72/91/959787291.db2.gz RXAUKCRJYYXZEH-ONGXEEELSA-N 0 0 236.271 2.350 20 5 BEBDRN O=[N+]([O-])C[C@H](OCc1ccccc1)C1CC1 ZINC001204638416 960426070 /nfs/dbraw/zinc/42/60/70/960426070.db2.gz LTEMXOQQJFUYMX-LBPRGKRZSA-N 0 0 221.256 2.259 20 5 BEBDRN CCCCOC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000106146740 960700483 /nfs/dbraw/zinc/70/04/83/960700483.db2.gz OUMQXKVPYLUFKV-UHFFFAOYSA-N 0 0 237.255 2.481 20 5 BEBDRN C[C@@H](OC[C@@H]1CCO1)c1cccc([N+](=O)[O-])c1 ZINC001223428084 961310405 /nfs/dbraw/zinc/31/04/05/961310405.db2.gz BZNSDPYHWDOLLV-SKDRFNHKSA-N 0 0 237.255 2.461 20 5 BEBDRN CCOc1cc([N+](=O)[O-])ccc1NC=N ZINC001167868007 961353281 /nfs/dbraw/zinc/35/32/81/961353281.db2.gz CNNDDZYEEUTRAV-UHFFFAOYSA-N 0 0 209.205 2.012 20 5 BEBDRN CC(C)Oc1ccnc(Cl)c1[N+](=O)[O-] ZINC000710633184 962425447 /nfs/dbraw/zinc/42/54/47/962425447.db2.gz WJNSOHOKMDIIPU-UHFFFAOYSA-N 0 0 216.624 2.430 20 5 BEBDRN Cc1oncc1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC001154880825 962879339 /nfs/dbraw/zinc/87/93/39/962879339.db2.gz NINXLOCBKSLFOY-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CN(CCC(C)(C)C)c1c([N+](=O)[O-])cnn1C ZINC000894350943 962941064 /nfs/dbraw/zinc/94/10/64/962941064.db2.gz VKUFMOXWYSHCJN-UHFFFAOYSA-N 0 0 240.307 2.201 20 5 BEBDRN Cc1nc(NC(C)(C)C2CC2)ncc1[N+](=O)[O-] ZINC001155074008 962963206 /nfs/dbraw/zinc/96/32/06/962963206.db2.gz XMRGKUYORIKRHK-UHFFFAOYSA-N 0 0 236.275 2.294 20 5 BEBDRN CC(C)(C)C(=N)Nc1cccc([N+](=O)[O-])n1 ZINC001155176251 962998405 /nfs/dbraw/zinc/99/84/05/962998405.db2.gz WCXOPXOHVBVUKI-UHFFFAOYSA-N 0 0 222.248 2.425 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(NC(=N)C(C)(C)C)n1 ZINC001155181481 963004677 /nfs/dbraw/zinc/00/46/77/963004677.db2.gz REJAFZUNCZGIDP-UHFFFAOYSA-N 0 0 237.263 2.128 20 5 BEBDRN CC(C)(C)C(=N)Nc1ncc([N+](=O)[O-])cc1N ZINC001155180166 963007209 /nfs/dbraw/zinc/00/72/09/963007209.db2.gz KDBSTESZFCPHBQ-UHFFFAOYSA-N 0 0 237.263 2.007 20 5 BEBDRN COc1ccc([N+](=O)[O-])nc1NCC(C)C ZINC001161648356 963020014 /nfs/dbraw/zinc/02/00/14/963020014.db2.gz FEXXZLSWJIRIRE-UHFFFAOYSA-N 0 0 225.248 2.066 20 5 BEBDRN CC[C@H](C)Nc1cnc(F)c([N+](=O)[O-])c1 ZINC001168002887 963238348 /nfs/dbraw/zinc/23/83/48/963238348.db2.gz DVFVKSDURVCHLS-LURJTMIESA-N 0 0 213.212 2.339 20 5 BEBDRN C[C@H]1CN(c2cc([N+](=O)[O-])ccn2)C2(CC2)C1 ZINC001156401657 963332496 /nfs/dbraw/zinc/33/24/96/963332496.db2.gz IUGICYKNGDGZEF-SECBINFHSA-N 0 0 233.271 2.369 20 5 BEBDRN CCCN(C)c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001156874418 963475425 /nfs/dbraw/zinc/47/54/25/963475425.db2.gz PMSAAYQWBSMFBP-UHFFFAOYSA-N 0 0 246.270 2.384 20 5 BEBDRN CCCN(C)c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001156873126 963475554 /nfs/dbraw/zinc/47/55/54/963475554.db2.gz BSGWGYOBERLLNR-UHFFFAOYSA-N 0 0 246.270 2.384 20 5 BEBDRN N=CNc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001157078000 963516927 /nfs/dbraw/zinc/51/69/27/963516927.db2.gz HQHFBKMCOSXPEQ-UHFFFAOYSA-N 0 0 235.030 2.316 20 5 BEBDRN C[C@H](Oc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC001228325437 963756256 /nfs/dbraw/zinc/75/62/56/963756256.db2.gz VYZUTOGQPLKBRW-QMMMGPOBSA-N 0 0 233.227 2.458 20 5 BEBDRN CCCNc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001168132413 963822997 /nfs/dbraw/zinc/82/29/97/963822997.db2.gz YROCPJLOBKAXBG-UHFFFAOYSA-N 0 0 220.232 2.064 20 5 BEBDRN CCCNc1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001168136352 963833035 /nfs/dbraw/zinc/83/30/35/963833035.db2.gz CNZCTCSIHQNAGO-UHFFFAOYSA-N 0 0 249.314 2.405 20 5 BEBDRN CC(C)C[C@@H](C)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229451475 964125511 /nfs/dbraw/zinc/12/55/11/964125511.db2.gz GDJUOURPZQNOMS-SECBINFHSA-N 0 0 240.259 2.042 20 5 BEBDRN CCC=CNc1cc(OC)c([N+](=O)[O-])cn1 ZINC001159668665 964133939 /nfs/dbraw/zinc/13/39/39/964133939.db2.gz VXUUJANQFMDTIJ-SNAWJCMRSA-N 0 0 223.232 2.334 20 5 BEBDRN CC(C)(C)CO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001204887224 964475416 /nfs/dbraw/zinc/47/54/16/964475416.db2.gz RFEDEBTWQZIJCJ-NSHDSACASA-N 0 0 238.287 2.462 20 5 BEBDRN Cc1ccc2c(N)nccc2c1[N+](=O)[O-] ZINC001161693772 964690075 /nfs/dbraw/zinc/69/00/75/964690075.db2.gz CZLMPMHXYKGDMO-UHFFFAOYSA-N 0 0 203.201 2.034 20 5 BEBDRN CCC[C@H](C)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001161716842 964707548 /nfs/dbraw/zinc/70/75/48/964707548.db2.gz OFPYJSZUZZKRBB-ZETCQYMHSA-N 0 0 224.264 2.173 20 5 BEBDRN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CC=CCC1 ZINC001161752340 964736265 /nfs/dbraw/zinc/73/62/65/964736265.db2.gz MFEIQPYKIWMULH-JTQLQIEISA-N 0 0 249.270 2.057 20 5 BEBDRN Nc1cc([N+](=O)[O-])cnc1N[C@H]1CC=CCC1 ZINC001161754274 964740025 /nfs/dbraw/zinc/74/00/25/964740025.db2.gz HZZGDDMXWOUMBV-QMMMGPOBSA-N 0 0 234.259 2.093 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(NCC2COC2)c1F ZINC001161951254 964835615 /nfs/dbraw/zinc/83/56/15/964835615.db2.gz GZJKCUSHDGLIGB-UHFFFAOYSA-N 0 0 240.234 2.101 20 5 BEBDRN Cc1cc(NC2CC(F)C2)ncc1[N+](=O)[O-] ZINC001162209647 964870303 /nfs/dbraw/zinc/87/03/03/964870303.db2.gz LOMOQMSXRCVYLP-UHFFFAOYSA-N 0 0 225.223 2.211 20 5 BEBDRN CC(C)[C@@H](C)Sc1nn(C)cc1[N+](=O)[O-] ZINC001162664165 965100250 /nfs/dbraw/zinc/10/02/50/965100250.db2.gz OJRWSRMHOURGDX-SSDOTTSWSA-N 0 0 229.305 2.465 20 5 BEBDRN C[C@H](Nc1cccc([N+](=O)[O-])n1)c1ccno1 ZINC001163208017 965300506 /nfs/dbraw/zinc/30/05/06/965300506.db2.gz HMUSGPWXKXBHPT-ZETCQYMHSA-N 0 0 234.215 2.151 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1N1CC[C@@H](F)C1 ZINC000689900056 965454191 /nfs/dbraw/zinc/45/41/91/965454191.db2.gz HDCIOERVCQLUEH-SSDOTTSWSA-N 0 0 228.198 2.282 20 5 BEBDRN CCCN(CC)c1cc([N+](=O)[O-])ccn1 ZINC001163601026 965471864 /nfs/dbraw/zinc/47/18/64/965471864.db2.gz YNBFOGPEAXZFLE-UHFFFAOYSA-N 0 0 209.249 2.226 20 5 BEBDRN COc1cc(C)nc(N(C)C(C)C)c1[N+](=O)[O-] ZINC001163618996 965481803 /nfs/dbraw/zinc/48/18/03/965481803.db2.gz DUGMSTHPJOOHFK-UHFFFAOYSA-N 0 0 239.275 2.151 20 5 BEBDRN CC(C)N(C)c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001163621586 965483845 /nfs/dbraw/zinc/48/38/45/965483845.db2.gz IQQXPJHJTQAOMN-UHFFFAOYSA-N 0 0 234.259 2.316 20 5 BEBDRN O=[N+]([O-])c1cc(O[C@@H]2C[C@H]3C[C@H]3C2)ccn1 ZINC001233858258 965598388 /nfs/dbraw/zinc/59/83/88/965598388.db2.gz SRFGMEQPIOOYAM-DIYOJNKTSA-N 0 0 220.228 2.167 20 5 BEBDRN Cc1c(C)c(N2CCCCO2)ncc1[N+](=O)[O-] ZINC001163927469 965636288 /nfs/dbraw/zinc/63/62/88/965636288.db2.gz PENSLBZFYIPQBS-UHFFFAOYSA-N 0 0 237.259 2.138 20 5 BEBDRN CC1(Nc2cnc(F)c([N+](=O)[O-])c2)CCC1 ZINC001164032169 965707205 /nfs/dbraw/zinc/70/72/05/965707205.db2.gz PJAFROFFVOIFDZ-UHFFFAOYSA-N 0 0 225.223 2.483 20 5 BEBDRN CC1CC(N(C)c2ncc(F)cc2[N+](=O)[O-])C1 ZINC001164195214 965789512 /nfs/dbraw/zinc/78/95/12/965789512.db2.gz KOIIIFWMKATUOK-UHFFFAOYSA-N 0 0 239.250 2.364 20 5 BEBDRN Cc1ccc(Cn2nccc2[N+](=O)[O-])cc1F ZINC001165536768 966126182 /nfs/dbraw/zinc/12/61/82/966126182.db2.gz CXWCJIUHQOBAEL-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN Cc1ccc(OCc2cccnc2[N+](=O)[O-])nc1 ZINC001165702631 966146542 /nfs/dbraw/zinc/14/65/42/966146542.db2.gz REVIKCVWRPXNKG-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN Cc1c(F)cc([N+](=O)[O-])cc1N[C@H](C)CCO ZINC001165965683 966216996 /nfs/dbraw/zinc/21/69/96/966216996.db2.gz DZNZBSISIIVGNX-SSDOTTSWSA-N 0 0 242.250 2.225 20 5 BEBDRN Cc1cc(F)ccc1Cn1ccnc1[N+](=O)[O-] ZINC001166682214 966363903 /nfs/dbraw/zinc/36/39/03/966363903.db2.gz KUBKIYNAAZUFMD-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN Nc1cccc(O)c1Nc1ccc([N+](=O)[O-])nc1 ZINC001203578945 966696029 /nfs/dbraw/zinc/69/60/29/966696029.db2.gz DWYXWUIMIBGUPV-UHFFFAOYSA-N 0 0 246.226 2.021 20 5 BEBDRN Cc1nocc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203569185 966696281 /nfs/dbraw/zinc/69/62/81/966696281.db2.gz XAQFCVXGBHAJOU-UHFFFAOYSA-N 0 0 220.188 2.030 20 5 BEBDRN CC(=O)[C@H](C)O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001205234081 966927390 /nfs/dbraw/zinc/92/73/90/966927390.db2.gz VNVCQYBOMTUCIH-ZANVPECISA-N 0 0 249.266 2.056 20 5 BEBDRN Cc1nccc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC001204408296 966989811 /nfs/dbraw/zinc/98/98/11/966989811.db2.gz XTHCXDURPSVXGO-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2ccon2)c1 ZINC001204407519 966992947 /nfs/dbraw/zinc/99/29/47/966992947.db2.gz PKWNKSSEUVJBQD-UHFFFAOYSA-N 0 0 205.173 2.326 20 5 BEBDRN Cc1cncnc1Nc1cccc([N+](=O)[O-])c1 ZINC001204450801 967000862 /nfs/dbraw/zinc/00/08/62/967000862.db2.gz VIUHEWANYWEEJJ-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN CCC(=O)CO[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001204862264 967206167 /nfs/dbraw/zinc/20/61/67/967206167.db2.gz DRLVJFOMQFPSMT-CYBMUJFWSA-N 0 0 249.266 2.058 20 5 BEBDRN O=c1cc[nH]cc1Nc1ccccc1[N+](=O)[O-] ZINC001206158391 968095371 /nfs/dbraw/zinc/09/53/71/968095371.db2.gz YVJMZRLBAZSMRY-UHFFFAOYSA-N 0 0 231.211 2.027 20 5 BEBDRN CC(C)(C)C(=O)CNc1cccnc1[N+](=O)[O-] ZINC001164005850 968151745 /nfs/dbraw/zinc/15/17/45/968151745.db2.gz WQUBXQKDQPQOSL-UHFFFAOYSA-N 0 0 237.259 2.017 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(N[C@@H](C)CCO)c1F ZINC001165938087 968300976 /nfs/dbraw/zinc/30/09/76/968300976.db2.gz LHTLXYAINUWUKZ-QMMMGPOBSA-N 0 0 242.250 2.225 20 5 BEBDRN Cc1nnc(-c2cc3cccc([N+](=O)[O-])c3[nH]2)o1 ZINC001253382445 969146753 /nfs/dbraw/zinc/14/67/53/969146753.db2.gz LIWNLSYNOKACED-UHFFFAOYSA-N 0 0 244.210 2.435 20 5 BEBDRN Cc1nnc(-c2cc([N+](=O)[O-])cnc2Cl)o1 ZINC001253437451 969173428 /nfs/dbraw/zinc/17/34/28/969173428.db2.gz YHKGQMCOZCROCW-UHFFFAOYSA-N 0 0 240.606 2.002 20 5 BEBDRN COc1nc(NC2(C)CCC2)ccc1[N+](=O)[O-] ZINC001156069369 969178810 /nfs/dbraw/zinc/17/88/10/969178810.db2.gz DSWFVJYNRWPNSU-UHFFFAOYSA-N 0 0 237.259 2.353 20 5 BEBDRN CCCc1nnc(-c2ccnc(C)c2[N+](=O)[O-])o1 ZINC001254014026 969447038 /nfs/dbraw/zinc/44/70/38/969447038.db2.gz JDUORNAEHNEBRA-UHFFFAOYSA-N 0 0 248.242 2.301 20 5 BEBDRN CCCc1nnc(-c2cnc(C)c([N+](=O)[O-])c2)o1 ZINC001254008202 969447558 /nfs/dbraw/zinc/44/75/58/969447558.db2.gz RIBCKRCPXSKLSX-UHFFFAOYSA-N 0 0 248.242 2.301 20 5 BEBDRN Nc1ccc(Nc2cccnc2F)cc1[N+](=O)[O-] ZINC001209932410 969694789 /nfs/dbraw/zinc/69/47/89/969694789.db2.gz OLDNACKGSXXPDQ-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN Nc1ccc(Nc2cscn2)cc1[N+](=O)[O-] ZINC001209933769 969695234 /nfs/dbraw/zinc/69/52/34/969695234.db2.gz CLJCLASNZGVFLL-UHFFFAOYSA-N 0 0 236.256 2.377 20 5 BEBDRN Cc1cncc(Nc2ccc(N)c([N+](=O)[O-])c2)n1 ZINC001209932062 969695481 /nfs/dbraw/zinc/69/54/81/969695481.db2.gz JHNKEPIMCMBEAR-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN Cc1ncc(Nc2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC001209934402 969698356 /nfs/dbraw/zinc/69/83/56/969698356.db2.gz MKZOQHQOQCRYMG-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN CO[C@@H](C)CNc1cnc(Cl)cc1[N+](=O)[O-] ZINC001169773764 969847783 /nfs/dbraw/zinc/84/77/83/969847783.db2.gz XJOOULYCRSMMFR-LURJTMIESA-N 0 0 245.666 2.090 20 5 BEBDRN CCc1nnc(-c2ccc([N+](=O)[O-])c(OC)c2)o1 ZINC001255060884 969867396 /nfs/dbraw/zinc/86/73/96/969867396.db2.gz ICEAYGJTQYQFMY-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2ccncn2)c1F ZINC001210379308 969880862 /nfs/dbraw/zinc/88/08/62/969880862.db2.gz YMCPDMKNZTWJAD-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2ccno2)c1F ZINC001210379366 969880881 /nfs/dbraw/zinc/88/08/81/969880881.db2.gz VTETVRXWTZCZPK-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2ccon2)c1F ZINC001210378526 969880929 /nfs/dbraw/zinc/88/09/29/969880929.db2.gz IVVCGGOAZUWZJP-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN CCc1nnc(Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC001255102061 969936112 /nfs/dbraw/zinc/93/61/12/969936112.db2.gz GDIVDLWTKIMCLK-UHFFFAOYSA-N 0 0 247.254 2.439 20 5 BEBDRN CCc1nnc(-c2ccc([N+](=O)[O-])c(F)c2)o1 ZINC001255132627 969946936 /nfs/dbraw/zinc/94/69/36/969946936.db2.gz SFQYQQJRYSVVLS-UHFFFAOYSA-N 0 0 237.190 2.346 20 5 BEBDRN CCc1nnc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC001255144990 969950614 /nfs/dbraw/zinc/95/06/14/969950614.db2.gz RVXFNKYHDWRKOT-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1Nc1cncnc1 ZINC001210948804 970086957 /nfs/dbraw/zinc/08/69/57/970086957.db2.gz DCDGHUCHWODMQS-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1Nc1cnccn1 ZINC001210950150 970087097 /nfs/dbraw/zinc/08/70/97/970087097.db2.gz SKCUPZWWPIYXEC-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN Nc1cccnc1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211190097 970168041 /nfs/dbraw/zinc/16/80/41/970168041.db2.gz LBFNWOVAXODQNT-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN Cn1nccc1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211189536 970168409 /nfs/dbraw/zinc/16/84/09/970168409.db2.gz WZAZTAYDYJSKLI-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN Cc1ccc(Nc2cccnn2)cc1[N+](=O)[O-] ZINC001213660143 970369456 /nfs/dbraw/zinc/36/94/56/970369456.db2.gz SRAZAKWNDLVUGK-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)C(C)C ZINC000302272550 970424588 /nfs/dbraw/zinc/42/45/88/970424588.db2.gz AOMHHKSHAVLNGU-NSHDSACASA-N 0 0 239.271 2.299 20 5 BEBDRN O=[N+]([O-])c1cnc(Cl)cc1NC1CSC1 ZINC001157577186 970461423 /nfs/dbraw/zinc/46/14/23/970461423.db2.gz VAKXTQGTSVTGAW-UHFFFAOYSA-N 0 0 245.691 2.171 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1(C)CC1 ZINC001327612731 972669242 /nfs/dbraw/zinc/66/92/42/972669242.db2.gz VRCDILQKSGVKIN-UHFFFAOYSA-N 0 0 248.282 2.494 20 5 BEBDRN O=[N+]([O-])c1cccc(CO[C@@H]2CCCOC2)c1 ZINC001222768059 972688915 /nfs/dbraw/zinc/68/89/15/972688915.db2.gz GWYOAXXPVBRWOM-GFCCVEGCSA-N 0 0 237.255 2.290 20 5 BEBDRN CC(=O)[C@@H](C)OCc1cccc([N+](=O)[O-])c1C ZINC001223331194 972958315 /nfs/dbraw/zinc/95/83/15/972958315.db2.gz HMEGARCYOGQNEJ-SNVBAGLBSA-N 0 0 237.255 2.397 20 5 BEBDRN CC(=O)[C@H](C)OCc1c(C)cccc1[N+](=O)[O-] ZINC001223536655 973144488 /nfs/dbraw/zinc/14/44/88/973144488.db2.gz ZPECPQJGOLZPDN-JTQLQIEISA-N 0 0 237.255 2.397 20 5 BEBDRN C[C@H](OC[C@@H]1CCO1)c1ccc([N+](=O)[O-])cc1 ZINC001224022238 973409568 /nfs/dbraw/zinc/40/95/68/973409568.db2.gz CFGWYTRDJGNSRC-CABZTGNLSA-N 0 0 237.255 2.461 20 5 BEBDRN C[C@@H](OC[C@H]1CCO1)c1ccc([N+](=O)[O-])cc1 ZINC001224022235 973410046 /nfs/dbraw/zinc/41/00/46/973410046.db2.gz CFGWYTRDJGNSRC-BXKDBHETSA-N 0 0 237.255 2.461 20 5 BEBDRN Cn1nccc1Nc1ccccc1[N+](=O)[O-] ZINC001206140163 974092103 /nfs/dbraw/zinc/09/21/03/974092103.db2.gz MKONETWNRDZIBG-UHFFFAOYSA-N 0 0 218.216 2.072 20 5 BEBDRN Cc1nc(N[C@H](C)c2ccc[nH]2)ncc1[N+](=O)[O-] ZINC001330592062 974343474 /nfs/dbraw/zinc/34/34/74/974343474.db2.gz YVLLNRHBYKFSIY-SSDOTTSWSA-N 0 0 247.258 2.194 20 5 BEBDRN O=[N+]([O-])c1cc(OC[C@@H]2CCCO2)ccc1F ZINC001225383129 974457948 /nfs/dbraw/zinc/45/79/48/974457948.db2.gz VBVDOJMSUWGGFV-VIFPVBQESA-N 0 0 241.218 2.292 20 5 BEBDRN CC(C)Oc1c(Cl)nccc1[N+](=O)[O-] ZINC001225432802 974487007 /nfs/dbraw/zinc/48/70/07/974487007.db2.gz JKSIZVJEVQAURM-UHFFFAOYSA-N 0 0 216.624 2.430 20 5 BEBDRN Cc1nc(NC[C@@H]2C=CCC2)ncc1[N+](=O)[O-] ZINC001330829490 974492618 /nfs/dbraw/zinc/49/26/18/974492618.db2.gz BPJNYSNLUZMMGJ-SECBINFHSA-N 0 0 234.259 2.071 20 5 BEBDRN O=[N+]([O-])c1cccnc1O[C@H]1C=CCCC1 ZINC001225593434 974580247 /nfs/dbraw/zinc/58/02/47/974580247.db2.gz QJKFSYJBYRZKRL-VIFPVBQESA-N 0 0 220.228 2.477 20 5 BEBDRN C[C@@H](Oc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC001225627954 974600282 /nfs/dbraw/zinc/60/02/82/974600282.db2.gz LLSGTIOOXQCGEV-SSDOTTSWSA-N 0 0 208.217 2.167 20 5 BEBDRN C[C@H](Oc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC001225627955 974602525 /nfs/dbraw/zinc/60/25/25/974602525.db2.gz LLSGTIOOXQCGEV-ZETCQYMHSA-N 0 0 208.217 2.167 20 5 BEBDRN O=[N+]([O-])c1ncccc1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001225629172 974604883 /nfs/dbraw/zinc/60/48/83/974604883.db2.gz GBFXNTABSXLWRT-IQJOONFLSA-N 0 0 232.239 2.333 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2C[C@H]3C=C[C@@H]2C3)nc1 ZINC001225632861 974609155 /nfs/dbraw/zinc/60/91/55/974609155.db2.gz MVEBJVYZSAWETA-NGZCFLSTSA-N 0 0 232.239 2.333 20 5 BEBDRN Cc1cc(O[C@@H]2C[C@H]3C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001225664313 974631342 /nfs/dbraw/zinc/63/13/42/974631342.db2.gz ZRBBIDSJAJEQLG-ILWJIGKKSA-N 0 0 234.255 2.476 20 5 BEBDRN C[C@H](Oc1[nH]ccc(=O)c1[N+](=O)[O-])C1CCC1 ZINC001225665507 974635063 /nfs/dbraw/zinc/63/50/63/974635063.db2.gz BCQLRCSEKHSCPD-ZETCQYMHSA-N 0 0 238.243 2.263 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(O[C@H]2CCCOC2)c1 ZINC001225681875 974641921 /nfs/dbraw/zinc/64/19/21/974641921.db2.gz FRHLAXSZHLMFPS-JTQLQIEISA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(O[C@H]2COC[C@@H]2C)c1 ZINC001225679167 974642357 /nfs/dbraw/zinc/64/23/57/974642357.db2.gz OXRJXCGNQSMTFW-CABZTGNLSA-N 0 0 237.255 2.317 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(F)cc1OC[C@@H]1CCO1 ZINC001225780379 974680133 /nfs/dbraw/zinc/68/01/33/974680133.db2.gz ZUNHMUXZEUSLDF-LURJTMIESA-N 0 0 245.181 2.041 20 5 BEBDRN CC(=O)[C@H](C)Oc1cc(F)c(F)cc1[N+](=O)[O-] ZINC001225779925 974680686 /nfs/dbraw/zinc/68/06/86/974680686.db2.gz SGCSKYSWCPZEFM-LURJTMIESA-N 0 0 245.181 2.229 20 5 BEBDRN O=[N+]([O-])c1cccc(OC[C@H]2CCCO2)c1F ZINC001225794108 974684297 /nfs/dbraw/zinc/68/42/97/974684297.db2.gz ILTJRJZLMNDBTB-MRVPVSSYSA-N 0 0 241.218 2.292 20 5 BEBDRN O=[N+]([O-])c1ccc(F)c(F)c1OC[C@H]1CCO1 ZINC001225960611 974744880 /nfs/dbraw/zinc/74/48/80/974744880.db2.gz PMFXFBACWWDQHF-ZCFIWIBFSA-N 0 0 245.181 2.041 20 5 BEBDRN CC[C@@H](C)Oc1nccc(C)c1[N+](=O)[O-] ZINC001226115581 974797834 /nfs/dbraw/zinc/79/78/34/974797834.db2.gz DUPNWHXBRPANQF-MRVPVSSYSA-N 0 0 210.233 2.476 20 5 BEBDRN Cc1ccnc(O[C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC001226118139 974798567 /nfs/dbraw/zinc/79/85/67/974798567.db2.gz IVBRKLGCFYFMRG-SECBINFHSA-N 0 0 220.228 2.396 20 5 BEBDRN O=[N+]([O-])c1cc(OC2CC2)c(F)cc1F ZINC001226181647 974820601 /nfs/dbraw/zinc/82/06/01/974820601.db2.gz SODTXMDCAKTUPL-UHFFFAOYSA-N 0 0 215.155 2.414 20 5 BEBDRN CO[C@H](C)COc1cc([N+](=O)[O-])c(F)cc1F ZINC001226186348 974821249 /nfs/dbraw/zinc/82/12/49/974821249.db2.gz BCTIFBZENPHXKC-ZCFIWIBFSA-N 0 0 247.197 2.287 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1cnccc1Cl)C1CC1 ZINC001226293550 974846344 /nfs/dbraw/zinc/84/63/44/974846344.db2.gz KPRZROGLPWHCAJ-JTQLQIEISA-N 0 0 242.662 2.169 20 5 BEBDRN CC[C@H](C)Oc1c(O)cccc1[N+](=O)[O-] ZINC001226335728 974863746 /nfs/dbraw/zinc/86/37/46/974863746.db2.gz LDZWDIDRKKUCLM-ZETCQYMHSA-N 0 0 211.217 2.478 20 5 BEBDRN CO[C@H](C)COc1nc(Cl)ccc1[N+](=O)[O-] ZINC001226363972 974868457 /nfs/dbraw/zinc/86/84/57/974868457.db2.gz BPZDAPGGTCCVTA-ZCFIWIBFSA-N 0 0 246.650 2.057 20 5 BEBDRN C[C@@H](Oc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC001226398494 974879522 /nfs/dbraw/zinc/87/95/22/974879522.db2.gz QCNFBLGHBIJWSD-SECBINFHSA-N 0 0 247.254 2.468 20 5 BEBDRN Cc1nnc(O[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001226458466 974907891 /nfs/dbraw/zinc/90/78/91/974907891.db2.gz FXBJFQYFCFWOCI-ZETCQYMHSA-N 0 0 249.226 2.426 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(OC[C@@H]2CCO2)c(F)c1 ZINC001226745169 975055047 /nfs/dbraw/zinc/05/50/47/975055047.db2.gz ZRHUEALAEYJJQS-ZETCQYMHSA-N 0 0 245.181 2.041 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1O[C@H]1C=CCC1 ZINC001226751848 975057115 /nfs/dbraw/zinc/05/71/15/975057115.db2.gz UTRDWYNESMCGTH-QMMMGPOBSA-N 0 0 224.191 2.226 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1O[C@@H](C)C1CC1 ZINC001226760436 975062114 /nfs/dbraw/zinc/06/21/14/975062114.db2.gz JSGOIOJUWBLNBD-QMMMGPOBSA-N 0 0 222.244 2.476 20 5 BEBDRN CO[C@H](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001226763133 975063554 /nfs/dbraw/zinc/06/35/54/975063554.db2.gz KAKSREVXWZNKQC-SECBINFHSA-N 0 0 225.244 2.399 20 5 BEBDRN C[C@@H]1COCC[C@@H]1Oc1cccc([N+](=O)[O-])c1 ZINC001226767066 975067520 /nfs/dbraw/zinc/06/75/20/975067520.db2.gz HBFCWHADDJDOMX-SKDRFNHKSA-N 0 0 237.255 2.399 20 5 BEBDRN [CH2]CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173221602 975075351 /nfs/dbraw/zinc/07/53/51/975075351.db2.gz NZUHGVMEEIWUNW-JTQLQIEISA-N 0 0 221.280 2.340 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(O[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC001227062209 975247972 /nfs/dbraw/zinc/24/79/72/975247972.db2.gz JHEUJAMVUVESHO-ILWJIGKKSA-N 0 0 234.255 2.476 20 5 BEBDRN Cc1cccc(O)c1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001227140397 975292984 /nfs/dbraw/zinc/29/29/84/975292984.db2.gz ZCRGTMNKHLKSGD-LLVKDONJSA-N 0 0 237.255 2.135 20 5 BEBDRN CC1=C(Oc2ccccc2[N+](=O)[O-])C(=O)O[C@H]1C ZINC001227479265 975459950 /nfs/dbraw/zinc/45/99/50/975459950.db2.gz FYKLSSMTLIWMLS-QMMMGPOBSA-N 0 0 249.222 2.193 20 5 BEBDRN CCOC[C@H](C)Oc1ccccc1[N+](=O)[O-] ZINC001227479732 975460697 /nfs/dbraw/zinc/46/06/97/975460697.db2.gz JJUZKGCSAYROSE-VIFPVBQESA-N 0 0 225.244 2.399 20 5 BEBDRN CC(C)N1CC(Oc2ccccc2[N+](=O)[O-])C1 ZINC001227481135 975460728 /nfs/dbraw/zinc/46/07/28/975460728.db2.gz RLGGMVDGWOYYEG-UHFFFAOYSA-N 0 0 236.271 2.066 20 5 BEBDRN C[C@H]1COC[C@@H]1Oc1ccccc1[N+](=O)[O-] ZINC001227483235 975468050 /nfs/dbraw/zinc/46/80/50/975468050.db2.gz UOZGSCWJOSANAU-KWQFWETISA-N 0 0 223.228 2.009 20 5 BEBDRN CCO[C@@H](C)COc1ccccc1[N+](=O)[O-] ZINC001227484739 975468791 /nfs/dbraw/zinc/46/87/91/975468791.db2.gz WGHXVKNDEBJXAG-VIFPVBQESA-N 0 0 225.244 2.399 20 5 BEBDRN CCO[C@@H](C)COc1ccc([N+](=O)[O-])cc1 ZINC001227523184 975500896 /nfs/dbraw/zinc/50/08/96/975500896.db2.gz FZKLSTNDKWDHTA-VIFPVBQESA-N 0 0 225.244 2.399 20 5 BEBDRN O=C1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001227521416 975502049 /nfs/dbraw/zinc/50/20/49/975502049.db2.gz QJLUSUWPVRAOIG-UHFFFAOYSA-N 0 0 235.239 2.485 20 5 BEBDRN C[C@H]1COCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC001227523484 975504956 /nfs/dbraw/zinc/50/49/56/975504956.db2.gz KHYOFPLFNZQOKA-CABZTGNLSA-N 0 0 237.255 2.399 20 5 BEBDRN C[C@@H](Oc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC001227684759 975609722 /nfs/dbraw/zinc/60/97/22/975609722.db2.gz KUAHNIYNBGZWHA-SECBINFHSA-N 0 0 247.254 2.468 20 5 BEBDRN C[C@H](Oc1ccn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC001227684760 975611599 /nfs/dbraw/zinc/61/15/99/975611599.db2.gz KUAHNIYNBGZWHA-VIFPVBQESA-N 0 0 247.254 2.468 20 5 BEBDRN Cc1ccccc1C[C@@H](C)[N@H+](C)CC[N+](=O)[O-] ZINC001333485433 975811348 /nfs/dbraw/zinc/81/13/48/975811348.db2.gz FDYKUYVLWJRSFQ-GFCCVEGCSA-N 0 0 236.315 2.135 20 5 BEBDRN CCC(=O)[C@@H](CC)Oc1cncc([N+](=O)[O-])c1 ZINC001227991450 975836415 /nfs/dbraw/zinc/83/64/15/975836415.db2.gz WXQLQSXXKNVHAR-LLVKDONJSA-N 0 0 238.243 2.126 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1O[C@@H]1CCOC1 ZINC001228002394 975843924 /nfs/dbraw/zinc/84/39/24/975843924.db2.gz NETUBKKDESQRDO-SSDOTTSWSA-N 0 0 243.646 2.416 20 5 BEBDRN CO[C@H](C)COc1cc([N+](=O)[O-])cc(F)c1F ZINC001228016914 975853380 /nfs/dbraw/zinc/85/33/80/975853380.db2.gz RBMBYPDFJXTLOF-ZCFIWIBFSA-N 0 0 247.197 2.287 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(F)c(OC2CC2)c1 ZINC001228016921 975853540 /nfs/dbraw/zinc/85/35/40/975853540.db2.gz RLYBMOJOERTSTI-UHFFFAOYSA-N 0 0 215.155 2.414 20 5 BEBDRN Cc1ccc(O)cc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001228067902 975889324 /nfs/dbraw/zinc/88/93/24/975889324.db2.gz CFGNTLCKHTYCKU-GFCCVEGCSA-N 0 0 237.255 2.135 20 5 BEBDRN CCCC[C@@H](C)Oc1nc[nH]c(=O)c1[N+](=O)[O-] ZINC001228143525 975942354 /nfs/dbraw/zinc/94/23/54/975942354.db2.gz LYGJUWHYHSPOGN-SSDOTTSWSA-N 0 0 241.247 2.048 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cc(OC[C@@H]2CCO2)c1 ZINC001228255239 976023729 /nfs/dbraw/zinc/02/37/29/976023729.db2.gz FJMIOSWTVDLWPL-VIFPVBQESA-N 0 0 243.646 2.416 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1N[C@H]1CCC[C@H](F)C1 ZINC001333764629 976064741 /nfs/dbraw/zinc/06/47/41/976064741.db2.gz MPSAKQMXPUEEQE-YUMQZZPRSA-N 0 0 242.254 2.021 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(C)c1OC[C@@H]1CCO1 ZINC001228571215 976332045 /nfs/dbraw/zinc/33/20/45/976332045.db2.gz MBGCYRUGHFHAGK-NSHDSACASA-N 0 0 237.255 2.379 20 5 BEBDRN O=[N+]([O-])c1c(F)cc(F)cc1OC1CC1 ZINC001228612710 976385684 /nfs/dbraw/zinc/38/56/84/976385684.db2.gz LCLHTAZLILCXOQ-UHFFFAOYSA-N 0 0 215.155 2.414 20 5 BEBDRN C[C@H]1CCCC[C@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228658582 976411701 /nfs/dbraw/zinc/41/17/01/976411701.db2.gz YWVUBTVVQPZQRA-WCBMZHEXSA-N 0 0 237.259 2.342 20 5 BEBDRN O=[N+]([O-])c1cncnc1OC1CCCCC1 ZINC001228658103 976412128 /nfs/dbraw/zinc/41/21/28/976412128.db2.gz TWXPHKSFRXLFJT-UHFFFAOYSA-N 0 0 223.232 2.096 20 5 BEBDRN CC(C)C[C@H](C)Oc1ncncc1[N+](=O)[O-] ZINC001228656955 976412981 /nfs/dbraw/zinc/41/29/81/976412981.db2.gz LDCIIIFZFBWEBS-QMMMGPOBSA-N 0 0 225.248 2.198 20 5 BEBDRN CC[C@H](Oc1ncncc1[N+](=O)[O-])C(C)C ZINC001228658918 976413503 /nfs/dbraw/zinc/41/35/03/976413503.db2.gz BYPKRRILYFDGPH-VIFPVBQESA-N 0 0 225.248 2.198 20 5 BEBDRN Cc1nc(N[C@]23C[C@H]2CCC3)ncc1[N+](=O)[O-] ZINC001334320528 976447477 /nfs/dbraw/zinc/44/74/77/976447477.db2.gz VCGPSWUFHMLXAA-LDYMZIIASA-N 0 0 234.259 2.048 20 5 BEBDRN Cc1cc(OC[C@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC001228833406 976507887 /nfs/dbraw/zinc/50/78/87/976507887.db2.gz KLXULWRNCWJRAL-LLVKDONJSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cc(O[C@H]2COC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001228833824 976510630 /nfs/dbraw/zinc/51/06/30/976510630.db2.gz RIQWLYQVJLUGBV-CABZTGNLSA-N 0 0 237.255 2.317 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(OC2CC2)cc1 ZINC001229113319 976740090 /nfs/dbraw/zinc/74/00/90/976740090.db2.gz BLDSPKHFJOZSEW-BQYQJAHWSA-N 0 0 205.213 2.475 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(OC[C@@H]2CCO2)cc1 ZINC001229119827 976752510 /nfs/dbraw/zinc/75/25/10/976752510.db2.gz SKOCOMKIXPXEKE-PZBABLGHSA-N 0 0 235.239 2.102 20 5 BEBDRN Nc1cn(-c2ccc([N+](=O)[O-])cc2)nc1Cl ZINC001174477854 976800461 /nfs/dbraw/zinc/80/04/61/976800461.db2.gz YQSYQQSPQAPMAZ-UHFFFAOYSA-N 0 0 238.634 2.016 20 5 BEBDRN CC[C@H](COC)Oc1cc([N+](=O)[O-])ccc1O ZINC001229395759 976859517 /nfs/dbraw/zinc/85/95/17/976859517.db2.gz LFDDEPWQIRNXRO-SECBINFHSA-N 0 0 241.243 2.104 20 5 BEBDRN Cc1cc(OC2CC(=O)C2)cc(C)c1[N+](=O)[O-] ZINC001229468617 976876877 /nfs/dbraw/zinc/87/68/77/976876877.db2.gz DFSVQWAFXCWDCE-UHFFFAOYSA-N 0 0 235.239 2.322 20 5 BEBDRN Cc1c(C)c([N+](=O)[O-])ccc1OC[C@@H]1CCO1 ZINC001229880339 977010228 /nfs/dbraw/zinc/01/02/28/977010228.db2.gz BAGDAXZSQBRBEI-JTQLQIEISA-N 0 0 237.255 2.379 20 5 BEBDRN O=[N+]([O-])CCN[C@H](c1ccccc1)C(F)(F)F ZINC001335395921 977023246 /nfs/dbraw/zinc/02/32/46/977023246.db2.gz YDCAHUYYTWBOPK-SECBINFHSA-N 0 0 248.204 2.156 20 5 BEBDRN Cc1ccc(OC2CC3(COC3)C2)c([N+](=O)[O-])c1 ZINC001230143202 977118894 /nfs/dbraw/zinc/11/88/94/977118894.db2.gz GNSYRMBLAKTYDY-UHFFFAOYSA-N 0 0 249.266 2.461 20 5 BEBDRN COC[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC001230142884 977120237 /nfs/dbraw/zinc/12/02/37/977120237.db2.gz CMEVDZAJKYRMPT-VIFPVBQESA-N 0 0 225.244 2.317 20 5 BEBDRN Cc1cc(OC[C@@H]2CCO2)cc([N+](=O)[O-])c1C ZINC001230471619 977219298 /nfs/dbraw/zinc/21/92/98/977219298.db2.gz MDKNZJOKWSPMAU-JTQLQIEISA-N 0 0 237.255 2.379 20 5 BEBDRN CC(C)Oc1ccc(Cl)nc1[N+](=O)[O-] ZINC001230873347 977351746 /nfs/dbraw/zinc/35/17/46/977351746.db2.gz YXFQTYVDRMJYFV-UHFFFAOYSA-N 0 0 216.624 2.430 20 5 BEBDRN O=[N+]([O-])c1cccc2ncnc(OC3CC3)c21 ZINC001231056440 977448496 /nfs/dbraw/zinc/44/84/96/977448496.db2.gz SJFQIKKANIRRHP-UHFFFAOYSA-N 0 0 231.211 2.079 20 5 BEBDRN Cc1ccc(C)c([N+](=O)[O-])c1OC1CC(=O)C1 ZINC001231061916 977457994 /nfs/dbraw/zinc/45/79/94/977457994.db2.gz VJNKPPSQUJSWOU-UHFFFAOYSA-N 0 0 235.239 2.322 20 5 BEBDRN Cc1nnc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)o1 ZINC001175900084 977811736 /nfs/dbraw/zinc/81/17/36/977811736.db2.gz HTSJLLRQBLMUAX-VOTSOKGWSA-N 0 0 246.226 2.369 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(Nc2cccnn2)cc1 ZINC001175899920 977811766 /nfs/dbraw/zinc/81/17/66/977811766.db2.gz DHMDSYNFDNCKGY-VQHVLOKHSA-N 0 0 242.238 2.468 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(Nc2cncnc2)cc1 ZINC001175900608 977811945 /nfs/dbraw/zinc/81/19/45/977811945.db2.gz QWYDESZMZKGRIV-AATRIKPKSA-N 0 0 242.238 2.468 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(Nc2cnccn2)cc1 ZINC001175901076 977813472 /nfs/dbraw/zinc/81/34/72/977813472.db2.gz YPXZAZIURVMVBK-VMPITWQZSA-N 0 0 242.238 2.468 20 5 BEBDRN C=CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001336702102 977866763 /nfs/dbraw/zinc/86/67/63/977866763.db2.gz OFDAKFNTAYSGLJ-UHFFFAOYSA-N 0 0 234.255 2.132 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC001336859502 978007909 /nfs/dbraw/zinc/00/79/09/978007909.db2.gz RBUNORMESJBDTI-ATZCPNFKSA-N 0 0 233.271 2.012 20 5 BEBDRN COc1ccc(Nc2ccnnc2)cc1[N+](=O)[O-] ZINC001176360318 978048576 /nfs/dbraw/zinc/04/85/76/978048576.db2.gz PJKVXPFAUBZIQX-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN CC(C)CC(=O)OCc1cccnc1[N+](=O)[O-] ZINC001337112219 978170072 /nfs/dbraw/zinc/17/00/72/978170072.db2.gz HZRZUOUMOOOODW-UHFFFAOYSA-N 0 0 238.243 2.079 20 5 BEBDRN Cc1ccc(NC(=O)[C@H]2C[C@H]2F)cc1[N+](=O)[O-] ZINC001337795056 978498194 /nfs/dbraw/zinc/49/81/94/978498194.db2.gz JTGKJNBVJVCDFC-DTWKUNHWSA-N 0 0 238.218 2.200 20 5 BEBDRN C[C@H]1CCC[C@@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001337850664 978526056 /nfs/dbraw/zinc/52/60/56/978526056.db2.gz CJGIRGRXCNDTQE-CBAPKCEASA-N 0 0 236.275 2.173 20 5 BEBDRN Cc1cc(N(C)Cc2cn[nH]c2)ccc1[N+](=O)[O-] ZINC001337992341 978584043 /nfs/dbraw/zinc/58/40/43/978584043.db2.gz KXXIQLMBFGPNNE-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN O=[N+]([O-])c1sccc1N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001338301279 978658241 /nfs/dbraw/zinc/65/82/41/978658241.db2.gz OGXBETPQHXMOKV-NBEYISGCSA-N 0 0 240.284 2.388 20 5 BEBDRN CC[C@H](F)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC001338301539 978658723 /nfs/dbraw/zinc/65/87/23/978658723.db2.gz QATVEQSTGREGFU-ZETCQYMHSA-N 0 0 244.197 2.421 20 5 BEBDRN O=[N+]([O-])c1cc(OC2CC(F)(F)C2)ccn1 ZINC001233858323 978714477 /nfs/dbraw/zinc/71/44/77/978714477.db2.gz UHGQETIVZJAYFU-UHFFFAOYSA-N 0 0 230.170 2.166 20 5 BEBDRN CCOC[C@H](C)Oc1c(C)nccc1[N+](=O)[O-] ZINC001234901273 978927094 /nfs/dbraw/zinc/92/70/94/978927094.db2.gz ODLCODDHBPGLSI-QMMMGPOBSA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1C[C@@H]1F ZINC001341869157 979581318 /nfs/dbraw/zinc/58/13/18/979581318.db2.gz KVZITYBIXQHMOF-IUCAKERBSA-N 0 0 239.202 2.167 20 5 BEBDRN COc1cncc(Nc2ccc([N+](=O)[O-])nc2)c1 ZINC001203566026 979817144 /nfs/dbraw/zinc/81/71/44/979817144.db2.gz AWONHSXMSYTQKJ-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001343678532 980188900 /nfs/dbraw/zinc/18/89/00/980188900.db2.gz BLYXNZYWOHOVNS-CHWFTXMASA-N 0 0 241.287 2.021 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001343678535 980189014 /nfs/dbraw/zinc/18/90/14/980189014.db2.gz BLYXNZYWOHOVNS-XWLWVQCSSA-N 0 0 241.287 2.021 20 5 BEBDRN CCCCC1(C(=O)OCCC[N+](=O)[O-])CC1 ZINC001344224424 980359305 /nfs/dbraw/zinc/35/93/05/980359305.db2.gz HLUWEYUHYXTSIB-UHFFFAOYSA-N 0 0 229.276 2.167 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(C)s1 ZINC001344401087 980384919 /nfs/dbraw/zinc/38/49/19/980384919.db2.gz AXONKBURZMPLII-MRVPVSSYSA-N 0 0 243.284 2.269 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)C1CCC1 ZINC001344401127 980386628 /nfs/dbraw/zinc/38/66/28/980386628.db2.gz BNWUGDWIXQGPHZ-PSASIEDQSA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)/C=C1\CC[C@@H](C)C1 ZINC001344401772 980388561 /nfs/dbraw/zinc/38/85/61/980388561.db2.gz FHDVFDRJHQLLEF-DHJNVWGISA-N 0 0 241.287 2.331 20 5 BEBDRN C=C=CCNc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001186572399 980406151 /nfs/dbraw/zinc/40/61/51/980406151.db2.gz VPBGYDIGLFWLMV-UHFFFAOYSA-N 0 0 235.199 2.256 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)CCC(C)(F)F ZINC001345009701 980519227 /nfs/dbraw/zinc/51/92/27/980519227.db2.gz FYHNQBCYCRXNDN-ZETCQYMHSA-N 0 0 239.218 2.020 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C1(C)CCC(C)CC1 ZINC001345018819 980521160 /nfs/dbraw/zinc/52/11/60/980521160.db2.gz KIQQNEIERSTAOD-YZRBJQDESA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1ccnc(NC/C=C\Cl)c1[N+](=O)[O-] ZINC001187824377 980556494 /nfs/dbraw/zinc/55/64/94/980556494.db2.gz RQAMUENXFDQWTQ-RQOWECAXSA-N 0 0 227.651 2.463 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]3CC[C@H]2O3)n1 ZINC001187926144 980572366 /nfs/dbraw/zinc/57/23/66/980572366.db2.gz BYQZSAVVAFXRHC-IQJOONFLSA-N 0 0 249.270 2.030 20 5 BEBDRN CC(C)(COC(=O)C[C@H]1CC=CCC1)[N+](=O)[O-] ZINC001345358969 980600921 /nfs/dbraw/zinc/60/09/21/980600921.db2.gz TUWJJHJYTMQMJQ-JTQLQIEISA-N 0 0 241.287 2.331 20 5 BEBDRN CCC[C@@H](C)CC(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001345695798 980673505 /nfs/dbraw/zinc/67/35/05/980673505.db2.gz XSIWSHVDEWQVCD-NXEZZACHSA-N 0 0 231.292 2.411 20 5 BEBDRN O=[N+]([O-])c1ncn(CC/C=C\c2ccccc2)n1 ZINC001188642994 980687019 /nfs/dbraw/zinc/68/70/19/980687019.db2.gz RMWGOTNFSBLYJT-YWEYNIOJSA-N 0 0 244.254 2.290 20 5 BEBDRN C=CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001346090306 980753180 /nfs/dbraw/zinc/75/31/80/980753180.db2.gz DYRJPBKZRINFFM-UHFFFAOYSA-N 0 0 248.282 2.220 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@]1(C)CCC[C@@H]1C ZINC001346198190 980782494 /nfs/dbraw/zinc/78/24/94/980782494.db2.gz SRCNLHCKCPRYSR-HOSYDEDBSA-N 0 0 243.303 2.411 20 5 BEBDRN CCOCCOc1cc([N+](=O)[O-])c(F)cc1F ZINC001346829763 980916121 /nfs/dbraw/zinc/91/61/21/980916121.db2.gz XHCHQPPCAYZOTO-UHFFFAOYSA-N 0 0 247.197 2.288 20 5 BEBDRN O=[N+]([O-])C[C@H](OC1CCCC1)c1cccnc1 ZINC001205568332 981075353 /nfs/dbraw/zinc/07/53/53/981075353.db2.gz ZQUQSRBAXNZSGF-LBPRGKRZSA-N 0 0 236.271 2.359 20 5 BEBDRN CCCCCC(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001347431345 981075943 /nfs/dbraw/zinc/07/59/43/981075943.db2.gz YAIFVIZGNXYMAC-VIFPVBQESA-N 0 0 217.265 2.165 20 5 BEBDRN O=C(NC/C=C\Cl)c1ccccc1[N+](=O)[O-] ZINC001585947325 981958780 /nfs/dbraw/zinc/95/87/80/981958780.db2.gz LUELUKWIKIDPCA-UTCJRWHESA-N 0 0 240.646 2.077 20 5 BEBDRN Cc1nc(N[C@@]2(C)CC2(C)C)ncc1[N+](=O)[O-] ZINC001350513904 981992347 /nfs/dbraw/zinc/99/23/47/981992347.db2.gz ILEOZIBWFKPXJD-NSHDSACASA-N 0 0 236.275 2.294 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC=CO1 ZINC001587128196 982050556 /nfs/dbraw/zinc/05/05/56/982050556.db2.gz IXYRDSQDJCBRAJ-NSHDSACASA-N 0 0 248.238 2.226 20 5 BEBDRN CC[C@@H](C)Nc1nc(OC)ccc1[N+](=O)[O-] ZINC000080223643 982376169 /nfs/dbraw/zinc/37/61/69/982376169.db2.gz QREZNRPRSNKGGC-SSDOTTSWSA-N 0 0 225.248 2.209 20 5 BEBDRN Cc1nc(N[C@H]2CCCC23CC3)ncc1[N+](=O)[O-] ZINC001351791101 982388150 /nfs/dbraw/zinc/38/81/50/982388150.db2.gz RNLKTRRIDSDPGS-JTQLQIEISA-N 0 0 248.286 2.438 20 5 BEBDRN Cc1cccc2[nH]c(-c3[nH]cnc3[N+](=O)[O-])nc21 ZINC001251165665 982543866 /nfs/dbraw/zinc/54/38/66/982543866.db2.gz QPCIXEMOTGCAFI-UHFFFAOYSA-N 0 0 243.226 2.170 20 5 BEBDRN O=[N+]([O-])c1cc(O)cc(Nc2ccno2)c1 ZINC001199801444 983019904 /nfs/dbraw/zinc/01/99/04/983019904.db2.gz DTVLCGQUZPGFDE-UHFFFAOYSA-N 0 0 221.172 2.032 20 5 BEBDRN O=c1[nH]cccc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199802776 983020444 /nfs/dbraw/zinc/02/04/44/983020444.db2.gz YHNQBHYKUJIVRB-UHFFFAOYSA-N 0 0 247.210 2.145 20 5 BEBDRN Cc1conc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199802111 983021114 /nfs/dbraw/zinc/02/11/14/983021114.db2.gz MCMXBWQQZJBGHD-UHFFFAOYSA-N 0 0 235.199 2.340 20 5 BEBDRN Cc1ncc(Nc2cc(O)cc([N+](=O)[O-])c2)cn1 ZINC001199814407 983024184 /nfs/dbraw/zinc/02/41/84/983024184.db2.gz JCZNJSBZLUABGB-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1c(NC(=O)[C@@H]2C[C@@H]2F)cccc1[N+](=O)[O-] ZINC001354119663 983163359 /nfs/dbraw/zinc/16/33/59/983163359.db2.gz CWUWDCAVUGVICV-SFYZADRCSA-N 0 0 238.218 2.200 20 5 BEBDRN CC1(CNc2cc(N)c([N+](=O)[O-])cn2)CCC1 ZINC001354130344 983168379 /nfs/dbraw/zinc/16/83/79/983168379.db2.gz MTASMWWJRAMNKG-UHFFFAOYSA-N 0 0 236.275 2.174 20 5 BEBDRN C[C@H]1C[C@H]1c1nnc(-c2cccnc2[N+](=O)[O-])o1 ZINC001256720074 984600943 /nfs/dbraw/zinc/60/09/43/984600943.db2.gz XHRADANNYKOYAM-POYBYMJQSA-N 0 0 246.226 2.163 20 5 BEBDRN Cc1nccnc1COc1ccccc1[N+](=O)[O-] ZINC001458820755 985354050 /nfs/dbraw/zinc/35/40/50/985354050.db2.gz PJQUNCQORDNGGB-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN C[C@@H]1COC[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000688023032 985492038 /nfs/dbraw/zinc/49/20/38/985492038.db2.gz GVHHLBONFFYFAM-XCBNKYQSSA-N 0 0 240.234 2.181 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2COC[C@@H]2C)c1 ZINC000688044433 985518615 /nfs/dbraw/zinc/51/86/15/985518615.db2.gz ADNAGIOEEPLTHY-GXSJLCMTSA-N 0 0 236.271 2.350 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@H]1COC2(CCC2)C1 ZINC000688313988 985604640 /nfs/dbraw/zinc/60/46/40/985604640.db2.gz HNRNNNAPPRALDL-VIFPVBQESA-N 0 0 249.270 2.113 20 5 BEBDRN CCc1nnc(-c2cccc(OC)c2[N+](=O)[O-])o1 ZINC001255138076 986822640 /nfs/dbraw/zinc/82/26/40/986822640.db2.gz IXNCGTLAXRAWMS-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN Cc1cc(NC(=O)c2ccc[nH]2)cc([N+](=O)[O-])c1 ZINC001472374595 987220689 /nfs/dbraw/zinc/22/06/89/987220689.db2.gz LSKAAEOZHUZDCE-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN C[C@H]1C[C@H]1c1nnc(-c2ccc([N+](=O)[O-])o2)o1 ZINC001256616836 987246295 /nfs/dbraw/zinc/24/62/95/987246295.db2.gz JPMKBXRCCSWUFH-NTSWFWBYSA-N 0 0 235.199 2.361 20 5 BEBDRN C[C@@H]1CC[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000695468469 987334740 /nfs/dbraw/zinc/33/47/40/987334740.db2.gz NKVKWRQUYYMCEQ-HTQZYQBOSA-N 0 0 237.259 2.296 20 5 BEBDRN Cc1nc(NC23CCC(CC2)C3)ncc1[N+](=O)[O-] ZINC001117799488 987927259 /nfs/dbraw/zinc/92/72/59/987927259.db2.gz YPEZWKBJASCIDB-UHFFFAOYSA-N 0 0 248.286 2.438 20 5 BEBDRN CCN(C(=O)c1ccc([N+](=O)[O-])o1)C(C)(C)C ZINC001117926894 987956130 /nfs/dbraw/zinc/95/61/30/987956130.db2.gz XRYRUEFKXKBSGB-UHFFFAOYSA-N 0 0 240.259 2.448 20 5 BEBDRN COCc1nnc(-c2ccc([N+](=O)[O-])c(C)c2)o1 ZINC001322357914 988224202 /nfs/dbraw/zinc/22/42/02/988224202.db2.gz PCVBOIVDGQIXSX-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN CC1(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC001322989537 988424174 /nfs/dbraw/zinc/42/41/74/988424174.db2.gz ZUVUEMUTQCNUAR-DAXSKMNVSA-N 0 0 246.266 2.277 20 5 BEBDRN Cc1nc(NCCC(C)(C)F)ncc1[N+](=O)[O-] ZINC001118602687 988471284 /nfs/dbraw/zinc/47/12/84/988471284.db2.gz QIXGKFPJWLPXIV-UHFFFAOYSA-N 0 0 242.254 2.243 20 5 BEBDRN CC1(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC001323719542 988588983 /nfs/dbraw/zinc/58/89/83/988588983.db2.gz JABBUPFQJAYESK-UHFFFAOYSA-N 0 0 248.282 2.196 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@@H]1CCC1(C)C ZINC001324403712 988825106 /nfs/dbraw/zinc/82/51/06/988825106.db2.gz OXWRHPSKHDWMIV-SNVBAGLBSA-N 0 0 235.287 2.321 20 5 BEBDRN CC[C@@H]1C[C@H]1CNc1c(C)cncc1[N+](=O)[O-] ZINC001324428276 988836890 /nfs/dbraw/zinc/83/68/90/988836890.db2.gz ITXVXISLXRDREB-ZJUUUORDSA-N 0 0 235.287 2.178 20 5 BEBDRN C[C@H](COC(=O)C12CCC(CC1)CC2)[N+](=O)[O-] ZINC001515229074 989007203 /nfs/dbraw/zinc/00/72/03/989007203.db2.gz GEVZBQYLCPWZEY-GRZMOONWSA-N 0 0 241.287 2.165 20 5 BEBDRN CC[C@@H](F)C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001515640590 989090144 /nfs/dbraw/zinc/09/01/44/989090144.db2.gz KZMNHWZQIMUGPL-SNVBAGLBSA-N 0 0 240.234 2.306 20 5 BEBDRN Nc1ccnn1-c1ccc([N+](=O)[O-])cc1Cl ZINC001248594277 989120065 /nfs/dbraw/zinc/12/00/65/989120065.db2.gz BFAJKJRFKPKBKE-UHFFFAOYSA-N 0 0 238.634 2.016 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1nccnc1C ZINC001248747124 989140302 /nfs/dbraw/zinc/14/03/02/989140302.db2.gz UARMSBMYNLLYKM-UHFFFAOYSA-N 0 0 245.242 2.140 20 5 BEBDRN O=[N+]([O-])c1sccc1N1CC(F)(F)C1 ZINC001516803852 989173805 /nfs/dbraw/zinc/17/38/05/989173805.db2.gz TUGJHEDDGUQMML-UHFFFAOYSA-N 0 0 220.200 2.112 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC12CC2 ZINC001517179457 989209407 /nfs/dbraw/zinc/20/94/07/989209407.db2.gz NVRMMKGYNCYPLN-ZJUUUORDSA-N 0 0 241.287 2.165 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1cncc(N)c1 ZINC001249546677 989306753 /nfs/dbraw/zinc/30/67/53/989306753.db2.gz QJRPMBIHUAEENJ-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)N(CCOC1CC1)CC2 ZINC001119811042 989413379 /nfs/dbraw/zinc/41/33/79/989413379.db2.gz FJHPTDDSVFTBMO-UHFFFAOYSA-N 0 0 248.282 2.136 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CC(C)(C)C ZINC001520098880 989501730 /nfs/dbraw/zinc/50/17/30/989501730.db2.gz AFPWUSUKWDEGDH-MRVPVSSYSA-N 0 0 217.265 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CC[C@H](C)CC1 ZINC001520099686 989508345 /nfs/dbraw/zinc/50/83/45/989508345.db2.gz VBPKMYBKCWILDY-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C1=CCCCCC1 ZINC001520099254 989510167 /nfs/dbraw/zinc/51/01/67/989510167.db2.gz JDSZJUVQJKSBLM-NSHDSACASA-N 0 0 241.287 2.475 20 5 BEBDRN CCCC1(C(=O)O[C@@H](CC)C[N+](=O)[O-])CC1 ZINC001526654543 990168748 /nfs/dbraw/zinc/16/87/48/990168748.db2.gz HUTXIFOPVHCCSE-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN C[C@H](COC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)[N+](=O)[O-] ZINC001122950439 990467511 /nfs/dbraw/zinc/46/75/11/990467511.db2.gz JRDXCLJQFKKCEV-DBIOUOCHSA-N 0 0 241.287 2.021 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001123122722 990514614 /nfs/dbraw/zinc/51/46/14/990514614.db2.gz MEKKERPDYREQIX-JGPRNRPPSA-N 0 0 241.287 2.023 20 5 BEBDRN Cc1cc(NC(=O)NC(C)C)cc([N+](=O)[O-])c1 ZINC001123360476 990557234 /nfs/dbraw/zinc/55/72/34/990557234.db2.gz NHZHPNZYCXGNTL-UHFFFAOYSA-N 0 0 237.259 2.433 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC(C)(C)C1 ZINC001123355116 990557651 /nfs/dbraw/zinc/55/76/51/990557651.db2.gz MEUNLBGYLMTCBU-UWVGGRQHSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1cc(NC(=O)N2CC=CC2)cc([N+](=O)[O-])c1 ZINC001123358728 990558971 /nfs/dbraw/zinc/55/89/71/990558971.db2.gz ADPWNHYQRSYBRL-UHFFFAOYSA-N 0 0 247.254 2.307 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C)C1CCCC1 ZINC001123355984 990559643 /nfs/dbraw/zinc/55/96/43/990559643.db2.gz YGPDZGUYXUFICJ-KOLCDFICSA-N 0 0 243.303 2.411 20 5 BEBDRN CCC/C(C)=C\C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001558335562 990937539 /nfs/dbraw/zinc/93/75/39/990937539.db2.gz ICGRYEICPIXEJY-ALCCZGGFSA-N 0 0 238.247 2.003 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NCC1CC(C)C1 ZINC001328903404 991398883 /nfs/dbraw/zinc/39/88/83/991398883.db2.gz ABZBXFRYQMMXRI-UHFFFAOYSA-N 0 0 235.287 2.178 20 5 BEBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CC2(CCC2)C1 ZINC001566350517 991842858 /nfs/dbraw/zinc/84/28/58/991842858.db2.gz CINQDNKHHACKMK-UHFFFAOYSA-N 0 0 246.266 2.221 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N(C)CC1CC1 ZINC001320711047 992327618 /nfs/dbraw/zinc/32/76/18/992327618.db2.gz HQYXJIIDJFZFEW-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@H]1C[C@H]1F ZINC001262737576 993057807 /nfs/dbraw/zinc/05/78/07/993057807.db2.gz JBUWKURRWFLQFR-NKWVEPMBSA-N 0 0 242.181 2.030 20 5 BEBDRN CCCCC1(C(=O)OC[C@H](C)[N+](=O)[O-])CC1 ZINC001263502324 993345026 /nfs/dbraw/zinc/34/50/26/993345026.db2.gz QBXMBBHHTHUHFT-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C12CCC(CC1)CC2 ZINC001263504334 993345100 /nfs/dbraw/zinc/34/51/00/993345100.db2.gz ULHZVADAWMOHDJ-BMQDGWLCSA-N 0 0 241.287 2.165 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)[C@@H](C)CC ZINC001263623493 993429288 /nfs/dbraw/zinc/42/92/88/993429288.db2.gz RWXZEFDOXRNNNA-LPEHRKFASA-N 0 0 231.292 2.267 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001263623775 993430363 /nfs/dbraw/zinc/43/03/63/993430363.db2.gz ZFIRUOIEAONJEY-LNFKQOIKSA-N 0 0 241.287 2.021 20 5 BEBDRN O=C(NC/C=C/Cl)c1ccc([N+](=O)[O-])cc1 ZINC001289553612 994500107 /nfs/dbraw/zinc/50/01/07/994500107.db2.gz GCGMCYCWEMZHFM-LZCJLJQNSA-N 0 0 240.646 2.077 20 5 BEBDRN C=C/C=C\CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001291853374 994589279 /nfs/dbraw/zinc/58/92/79/994589279.db2.gz NMFMDUGFLPDODO-ARJAWSKDSA-N 0 0 246.266 2.343 20 5 BEBDRN O=[N+]([O-])c1ccccc1Oc1cnc(F)cn1 ZINC001306922249 995273036 /nfs/dbraw/zinc/27/30/36/995273036.db2.gz LMQJBCAGNFBNGD-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN O=[N+]([O-])c1ncccc1CSc1ncco1 ZINC001307336286 995329006 /nfs/dbraw/zinc/32/90/06/995329006.db2.gz LKKNOHBTWIGNJO-UHFFFAOYSA-N 0 0 237.240 2.270 20 5 BEBDRN O=[N+]([O-])c1ccc(NC/C=C\Cl)cn1 ZINC001613030089 1170468985 /nfs/dbraw/zinc/46/89/85/1170468985.db2.gz KSEOEOAYPLRTES-RJRFIUFISA-N 0 0 213.624 2.154 20 5 BEBDRN Cc1ncc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC001613257878 1170472915 /nfs/dbraw/zinc/47/29/15/1170472915.db2.gz USRDKNCRNJAKIE-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN CC(=O)[C@H](C)Oc1cc([N+](=O)[O-])ccc1C ZINC000034538895 1170569981 /nfs/dbraw/zinc/56/99/81/1170569981.db2.gz QESXLJHFLKXDPO-VIFPVBQESA-N 0 0 223.228 2.260 20 5 BEBDRN CC(=O)[C@@H](C)Oc1cccc(C)c1[N+](=O)[O-] ZINC000038081976 1171017665 /nfs/dbraw/zinc/01/76/65/1171017665.db2.gz PXADYOHKGMADJG-SECBINFHSA-N 0 0 223.228 2.260 20 5 BEBDRN CC(C)[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610678061 343975768 /nfs/dbraw/zinc/97/57/68/343975768.db2.gz YPUUEBGQCHZXOJ-SNVBAGLBSA-N 0 0 235.287 2.472 20 5 BEBDRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccn1 ZINC000078405639 398145791 /nfs/dbraw/zinc/14/57/91/398145791.db2.gz VDXOVHRWDQFAMU-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN CC1(C)C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226771912 187321500 /nfs/dbraw/zinc/32/15/00/187321500.db2.gz PNDCONJKTYLHDL-RXMQYKEDSA-N 0 0 213.262 2.262 20 5 BEBDRN Cc1cc(Cl)nc(N(C)C)c1[N+](=O)[O-] ZINC000230556149 178071896 /nfs/dbraw/zinc/07/18/96/178071896.db2.gz ONEZBVFKVMVVTE-UHFFFAOYSA-N 0 0 215.640 2.018 20 5 BEBDRN Cc1cc(N2CCCOCC2)ccc1[N+](=O)[O-] ZINC000363377514 178114993 /nfs/dbraw/zinc/11/49/93/178114993.db2.gz CXRZLGWEJCDGGY-UHFFFAOYSA-N 0 0 236.271 2.130 20 5 BEBDRN C[C@H]1[C@@H](C)N(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000576331616 365568012 /nfs/dbraw/zinc/56/80/12/365568012.db2.gz MHGXQEDJTSGTFW-OPRDCNLKSA-N 0 0 235.287 2.471 20 5 BEBDRN Cc1cc(NC(C)(C)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000158812993 178153296 /nfs/dbraw/zinc/15/32/96/178153296.db2.gz WQFFIWGEQGQFQK-SECBINFHSA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1cc(NCCCCO)c(F)cc1[N+](=O)[O-] ZINC000292555528 178160007 /nfs/dbraw/zinc/16/00/07/178160007.db2.gz JGMHLVIRAUJUOS-UHFFFAOYSA-N 0 0 242.250 2.227 20 5 BEBDRN Cc1cc(NC[C@H](C)O)c(Cl)cc1[N+](=O)[O-] ZINC000080530944 178169253 /nfs/dbraw/zinc/16/92/53/178169253.db2.gz ORRUTOCSZNFBTC-ZETCQYMHSA-N 0 0 244.678 2.349 20 5 BEBDRN Cc1cc(N[C@@H](C)c2cn[nH]c2)ncc1[N+](=O)[O-] ZINC000229871215 178181241 /nfs/dbraw/zinc/18/12/41/178181241.db2.gz AKBIBBZXXIEFQQ-QMMMGPOBSA-N 0 0 247.258 2.194 20 5 BEBDRN Cc1cc(N[C@@H]2CCO[C@H]2C)ccc1[N+](=O)[O-] ZINC000147763919 178182170 /nfs/dbraw/zinc/18/21/70/178182170.db2.gz ABDFIFUVOSQNSZ-GXSJLCMTSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cc(N[C@H]2C=C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000356750454 178186838 /nfs/dbraw/zinc/18/68/38/178186838.db2.gz ZGYFPSLUSBVYKC-JQWIXIFHSA-N 0 0 248.282 2.252 20 5 BEBDRN CO[C@H](C)CN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC000286686392 398226081 /nfs/dbraw/zinc/22/60/81/398226081.db2.gz YRNREWKPNSUVRJ-SNVBAGLBSA-N 0 0 238.287 2.374 20 5 BEBDRN Cc1cc(OCCC(C)(C)O)ccc1[N+](=O)[O-] ZINC000092800648 178209605 /nfs/dbraw/zinc/20/96/05/178209605.db2.gz GJEHNLZCTWYGHK-UHFFFAOYSA-N 0 0 239.271 2.443 20 5 BEBDRN Cc1cc(OC[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000330793969 178212404 /nfs/dbraw/zinc/21/24/04/178212404.db2.gz DAUQQLWMVIWZRR-JTQLQIEISA-N 0 0 237.255 2.319 20 5 BEBDRN Cc1nonc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000265016267 178213514 /nfs/dbraw/zinc/21/35/14/178213514.db2.gz PUHFLTVEOBJFOI-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NCc1cccnc1 ZINC000052812254 178274553 /nfs/dbraw/zinc/27/45/53/178274553.db2.gz BRPWNBSDIZKQGD-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(C)CC1 ZINC000357528264 178270870 /nfs/dbraw/zinc/27/08/70/178270870.db2.gz PTZLVGFHCXJHCF-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H](C)C1 ZINC000299720384 178271478 /nfs/dbraw/zinc/27/14/78/178271478.db2.gz MQZYVPBWIIGAPB-VIFPVBQESA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N(C)CC(C)(C)O ZINC000092970133 178271783 /nfs/dbraw/zinc/27/17/83/178271783.db2.gz JRWXGRXIYLFNGB-UHFFFAOYSA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCC(C)(C)CO ZINC000059538781 178272574 /nfs/dbraw/zinc/27/25/74/178272574.db2.gz CXCVHWXGSKEHSL-UHFFFAOYSA-N 0 0 238.287 2.334 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000158749488 178275299 /nfs/dbraw/zinc/27/52/99/178275299.db2.gz VZWLPONOXGTXQO-MXWKQRLJSA-N 0 0 249.270 2.030 20 5 BEBDRN C[C@H](CO)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000230147402 136227910 /nfs/dbraw/zinc/22/79/10/136227910.db2.gz OJLABSZNUVTQMK-JTQLQIEISA-N 0 0 238.287 2.415 20 5 BEBDRN CCOCCNc1ccc([N+](=O)[O-])s1 ZINC000066410804 343998926 /nfs/dbraw/zinc/99/89/26/343998926.db2.gz YWOHTZKQVVSYTQ-UHFFFAOYSA-N 0 0 216.262 2.105 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)CC2CC2)n1 ZINC000178178336 398269386 /nfs/dbraw/zinc/26/93/86/398269386.db2.gz LIHJMZGGOPVOQN-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN C[C@@H](CO)CCCNc1ccsc1[N+](=O)[O-] ZINC000309569507 342672407 /nfs/dbraw/zinc/67/24/07/342672407.db2.gz NFWDOBPFHCRKRN-MRVPVSSYSA-N 0 0 244.316 2.477 20 5 BEBDRN Cn1nccc1CNc1sccc1[N+](=O)[O-] ZINC000309585936 342716350 /nfs/dbraw/zinc/71/63/50/342716350.db2.gz SFWMOOWUUXWRMM-UHFFFAOYSA-N 0 0 238.272 2.002 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@@H]2O)s1 ZINC000309626554 342760816 /nfs/dbraw/zinc/76/08/16/342760816.db2.gz JFXLDOXMOCSWCZ-SFYZADRCSA-N 0 0 242.300 2.229 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@H]2O)s1 ZINC000309626549 342760870 /nfs/dbraw/zinc/76/08/70/342760870.db2.gz JFXLDOXMOCSWCZ-JGVFFNPUSA-N 0 0 242.300 2.229 20 5 BEBDRN CC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000336378854 342804710 /nfs/dbraw/zinc/80/47/10/342804710.db2.gz YWWWIGZAGHYBIQ-MRVPVSSYSA-N 0 0 238.243 2.202 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1N1CCCC1 ZINC000554800193 398293551 /nfs/dbraw/zinc/29/35/51/398293551.db2.gz GLNCSAVXDKLIDN-UHFFFAOYSA-N 0 0 222.244 2.204 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403257048 398291913 /nfs/dbraw/zinc/29/19/13/398291913.db2.gz WLCUHAIRDFQSLI-MXWKQRLJSA-N 0 0 247.298 2.260 20 5 BEBDRN CN(CC(C)(C)C)c1cccnc1[N+](=O)[O-] ZINC000608885117 342843316 /nfs/dbraw/zinc/84/33/16/342843316.db2.gz GASILPFHNBFTGL-UHFFFAOYSA-N 0 0 223.276 2.472 20 5 BEBDRN CC[C@@H](C)[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000042417210 361998045 /nfs/dbraw/zinc/99/80/45/361998045.db2.gz QOMXSHLAEAAXRW-HTQZYQBOSA-N 0 0 226.280 2.175 20 5 BEBDRN Cc1cccnc1CNc1cccnc1[N+](=O)[O-] ZINC000134585088 342871189 /nfs/dbraw/zinc/87/11/89/342871189.db2.gz AVRYOABDPZATBB-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1nc(COc2cccc(C)c2[N+](=O)[O-])no1 ZINC000123965706 398313250 /nfs/dbraw/zinc/31/32/50/398313250.db2.gz AGDBRBXFLYKNIJ-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN C[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000604560325 398321866 /nfs/dbraw/zinc/32/18/66/398321866.db2.gz QJFVCABHUICBLV-SECBINFHSA-N 0 0 221.260 2.226 20 5 BEBDRN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)CO1 ZINC000401974817 259329048 /nfs/dbraw/zinc/32/90/48/259329048.db2.gz RYNXXUJZMWZDGU-YUMQZZPRSA-N 0 0 240.234 2.323 20 5 BEBDRN COC1(C)CN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000357482971 398328896 /nfs/dbraw/zinc/32/88/96/398328896.db2.gz QQZFUFYMKHUWIJ-UHFFFAOYSA-N 0 0 236.271 2.128 20 5 BEBDRN C[C@H]1C[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000136091510 398343336 /nfs/dbraw/zinc/34/33/36/398343336.db2.gz GEMPSVGDSVJGRD-JGVFFNPUSA-N 0 0 207.233 2.058 20 5 BEBDRN CCCCCNc1ccc(N)c([N+](=O)[O-])n1 ZINC000309813521 343016943 /nfs/dbraw/zinc/01/69/43/343016943.db2.gz ZTWBBOAJSZRJOU-UHFFFAOYSA-N 0 0 224.264 2.174 20 5 BEBDRN COC(C)(C)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000135267751 344025522 /nfs/dbraw/zinc/02/55/22/344025522.db2.gz PXQLILILFPGANN-UHFFFAOYSA-N 0 0 239.275 2.135 20 5 BEBDRN CCO[C@@H]1C[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000309905395 343091093 /nfs/dbraw/zinc/09/10/93/343091093.db2.gz JYRDOZUYDJFAJF-MWLCHTKSSA-N 0 0 222.244 2.184 20 5 BEBDRN CCO[C@H]1C[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000309905396 343091219 /nfs/dbraw/zinc/09/12/19/343091219.db2.gz JYRDOZUYDJFAJF-ONGXEEELSA-N 0 0 222.244 2.184 20 5 BEBDRN C[C@@H](O)C[C@H](C)CNc1ccsc1[N+](=O)[O-] ZINC000309920053 343093658 /nfs/dbraw/zinc/09/36/58/343093658.db2.gz RMTSIZVXYXXQMC-JGVFFNPUSA-N 0 0 244.316 2.475 20 5 BEBDRN CC1(C)SC[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000276489218 187238814 /nfs/dbraw/zinc/23/88/14/187238814.db2.gz PPDULIMAZDHCFL-QMMMGPOBSA-N 0 0 239.300 2.296 20 5 BEBDRN CC[C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000421576069 192354747 /nfs/dbraw/zinc/35/47/47/192354747.db2.gz BJHQAAYQFXTELK-VIFPVBQESA-N 0 0 236.271 2.371 20 5 BEBDRN CC[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000421583629 192357837 /nfs/dbraw/zinc/35/78/37/192357837.db2.gz ZFKAEHMSZOPABC-ZETCQYMHSA-N 0 0 242.300 2.432 20 5 BEBDRN CC(C)[C@H](O)CCNc1ccc([N+](=O)[O-])cc1 ZINC000078342019 343352904 /nfs/dbraw/zinc/35/29/04/343352904.db2.gz YJZAZDMVZGNGQB-GFCCVEGCSA-N 0 0 238.287 2.414 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC(F)C2)c1 ZINC000335656867 136307087 /nfs/dbraw/zinc/30/70/87/136307087.db2.gz CAVIMEFYLCKCQE-UHFFFAOYSA-N 0 0 210.208 2.061 20 5 BEBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000335694696 136326537 /nfs/dbraw/zinc/32/65/37/136326537.db2.gz XSOZUAOJUORZCG-LLVKDONJSA-N 0 0 248.282 2.465 20 5 BEBDRN CC[C@@H](CNc1ccsc1[N+](=O)[O-])OC ZINC000309066773 349825627 /nfs/dbraw/zinc/82/56/27/349825627.db2.gz ZXRXMQGOCMMWFC-ZETCQYMHSA-N 0 0 230.289 2.493 20 5 BEBDRN CC(C)(C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000047970375 343679273 /nfs/dbraw/zinc/67/92/73/343679273.db2.gz WKKRMSODQQOENA-UHFFFAOYSA-N 0 0 239.275 2.089 20 5 BEBDRN C[C@@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000083676204 343654072 /nfs/dbraw/zinc/65/40/72/343654072.db2.gz MCKVEPIIGQKMRX-ZCFIWIBFSA-N 0 0 231.635 2.008 20 5 BEBDRN CCC1(C)CN(c2ncccc2[N+](=O)[O-])C1 ZINC000292407229 168453919 /nfs/dbraw/zinc/45/39/19/168453919.db2.gz SGBGCLHUGCUPSM-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN CC(C)=Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000291036109 187347800 /nfs/dbraw/zinc/34/78/00/187347800.db2.gz FUHGCLOOMNYDAJ-UHFFFAOYSA-N 0 0 239.275 2.481 20 5 BEBDRN Cc1cc(C(=O)N2C[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000294146528 187350615 /nfs/dbraw/zinc/35/06/15/187350615.db2.gz ONDUBVVIMVDERE-UWVGGRQHSA-N 0 0 248.282 2.384 20 5 BEBDRN CC(C)=CCCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000295052272 187350972 /nfs/dbraw/zinc/35/09/72/187350972.db2.gz OSNCCBCMZMKDDV-UHFFFAOYSA-N 0 0 236.275 2.461 20 5 BEBDRN C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000334238730 343843080 /nfs/dbraw/zinc/84/30/80/343843080.db2.gz KBUHSYAZJJFKRQ-HTQZYQBOSA-N 0 0 226.301 2.497 20 5 BEBDRN CC[C@H]1CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000297809455 187352650 /nfs/dbraw/zinc/35/26/50/187352650.db2.gz LLQXDEWSHYAFTE-VIFPVBQESA-N 0 0 234.255 2.219 20 5 BEBDRN COCCCN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000066372024 343868218 /nfs/dbraw/zinc/86/82/18/343868218.db2.gz BHLGAXIRSWMVHS-UHFFFAOYSA-N 0 0 238.287 2.376 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC(CF)C2)c1 ZINC000334581442 343893379 /nfs/dbraw/zinc/89/33/79/343893379.db2.gz QWWWEBNJSHSPEM-UHFFFAOYSA-N 0 0 224.235 2.309 20 5 BEBDRN C[C@@H]1CN(c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000610587419 343973531 /nfs/dbraw/zinc/97/35/31/343973531.db2.gz VUHBFNWOUBITSV-RKDXNWHRSA-N 0 0 221.260 2.082 20 5 BEBDRN C[C@H]1CCN(c2ccncc2[N+](=O)[O-])[C@H]1C ZINC000610588372 343973726 /nfs/dbraw/zinc/97/37/26/343973726.db2.gz JJMTVBZMRSXTDH-IUCAKERBSA-N 0 0 221.260 2.225 20 5 BEBDRN CC(C)N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000078728888 187280920 /nfs/dbraw/zinc/28/09/20/187280920.db2.gz WMGJSPMZMIDFOJ-UHFFFAOYSA-N 0 0 236.271 2.004 20 5 BEBDRN Cc1ccc(N2CCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000080542193 344130122 /nfs/dbraw/zinc/13/01/22/344130122.db2.gz IKACTWLXZHBTDN-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1nn(Cc2ccc(C)nc2)c(C)c1[N+](=O)[O-] ZINC000610748879 344143362 /nfs/dbraw/zinc/14/33/62/344143362.db2.gz OWRCCMVROKWKKJ-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN Cc1cc(C(=O)NC2CC=CC2)ccc1[N+](=O)[O-] ZINC000610742119 344143397 /nfs/dbraw/zinc/14/33/97/344143397.db2.gz LRPRDILBSMSILH-UHFFFAOYSA-N 0 0 246.266 2.352 20 5 BEBDRN O=C(NC1CC=CC1)c1csc([N+](=O)[O-])c1 ZINC000610742122 344144534 /nfs/dbraw/zinc/14/45/34/344144534.db2.gz MSBARLSCFPGJRR-UHFFFAOYSA-N 0 0 238.268 2.105 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1N1CC(C(F)F)C1 ZINC000610889196 344160897 /nfs/dbraw/zinc/16/08/97/344160897.db2.gz IRQRAEVGIUXLET-UHFFFAOYSA-N 0 0 246.188 2.435 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(OCc2ccon2)c1 ZINC000135358907 344219551 /nfs/dbraw/zinc/21/95/51/344219551.db2.gz JXNKAQFIHHASDZ-UHFFFAOYSA-N 0 0 238.174 2.301 20 5 BEBDRN C/C=C\CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000600489639 344224491 /nfs/dbraw/zinc/22/44/91/344224491.db2.gz FXCCZOXHKSRAQS-ARJAWSKDSA-N 0 0 234.255 2.209 20 5 BEBDRN Cc1ccc(CNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000040454473 178641287 /nfs/dbraw/zinc/64/12/87/178641287.db2.gz YXLWYLRRMDEKGB-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CCCOc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000060806097 344268798 /nfs/dbraw/zinc/26/87/98/344268798.db2.gz ZGNLAFKXECGNMR-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN CC(C)C1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000611078150 344242473 /nfs/dbraw/zinc/24/24/73/344242473.db2.gz APGDWZCKMYKMEY-UHFFFAOYSA-N 0 0 248.282 2.323 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1C ZINC000611227960 344331013 /nfs/dbraw/zinc/33/10/13/344331013.db2.gz IKJSYNWRXVIHEB-ZJUUUORDSA-N 0 0 235.287 2.472 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CCCCCO1 ZINC000408293792 344467723 /nfs/dbraw/zinc/46/77/23/344467723.db2.gz ZXNCSRZPJAJRIL-UHFFFAOYSA-N 0 0 237.259 2.220 20 5 BEBDRN C[C@H]1CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000603267086 344472897 /nfs/dbraw/zinc/47/28/97/344472897.db2.gz PXHJVPJFZDRMBZ-JTQLQIEISA-N 0 0 248.282 2.148 20 5 BEBDRN Cc1cnc(S[C@H](C)CCO)c([N+](=O)[O-])c1 ZINC000085426949 344530146 /nfs/dbraw/zinc/53/01/46/344530146.db2.gz JLPLPHSKBKELIV-MRVPVSSYSA-N 0 0 242.300 2.161 20 5 BEBDRN C[C@H]1CCN(c2cccnc2[N+](=O)[O-])C[C@@H]1F ZINC000611494108 344745358 /nfs/dbraw/zinc/74/53/58/344745358.db2.gz CVGZGXZGLFNXNH-IUCAKERBSA-N 0 0 239.250 2.174 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1F ZINC000611494456 344745410 /nfs/dbraw/zinc/74/54/10/344745410.db2.gz REUANBBZZZCHBR-PSASIEDQSA-N 0 0 239.250 2.174 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC=CCC2)c(Cl)c1 ZINC000611509970 344747060 /nfs/dbraw/zinc/74/70/60/344747060.db2.gz RJHADAPXLSOBSK-UHFFFAOYSA-N 0 0 239.662 2.410 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(N2CC=CCC2)c1 ZINC000611510011 344747166 /nfs/dbraw/zinc/74/71/66/344747166.db2.gz WMXROQQPWLWDRK-UHFFFAOYSA-N 0 0 234.255 2.370 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCc1cocn1 ZINC000309470012 347071672 /nfs/dbraw/zinc/07/16/72/347071672.db2.gz AGNKZEOLGZAGKW-UHFFFAOYSA-N 0 0 219.200 2.195 20 5 BEBDRN COCCN(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000077307743 344815786 /nfs/dbraw/zinc/81/57/86/344815786.db2.gz CRRPJMGQJLYCIU-UHFFFAOYSA-N 0 0 244.678 2.331 20 5 BEBDRN CCn1ccc(NCc2cccc([N+](=O)[O-])c2)n1 ZINC000310661321 344838878 /nfs/dbraw/zinc/83/88/78/344838878.db2.gz VJYNMQAQNOHBFQ-UHFFFAOYSA-N 0 0 246.270 2.423 20 5 BEBDRN CC(C)[C@@H](O)CCNc1ccc([N+](=O)[O-])cc1 ZINC000078342021 344850689 /nfs/dbraw/zinc/85/06/89/344850689.db2.gz YJZAZDMVZGNGQB-LBPRGKRZSA-N 0 0 238.287 2.414 20 5 BEBDRN Cc1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000037401098 178761382 /nfs/dbraw/zinc/76/13/82/178761382.db2.gz QXCYVHJJJCWVBA-SNVBAGLBSA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1ccc(NC[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000037059847 178761493 /nfs/dbraw/zinc/76/14/93/178761493.db2.gz ZZNDXFOODCNKHF-SNVBAGLBSA-N 0 0 236.271 2.352 20 5 BEBDRN Cc1cnc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000078624172 344891750 /nfs/dbraw/zinc/89/17/50/344891750.db2.gz ZHCDBBKFDGUPNN-UHFFFAOYSA-N 0 0 221.260 2.289 20 5 BEBDRN Cc1cnc(N2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])c1 ZINC000078669322 344896841 /nfs/dbraw/zinc/89/68/41/344896841.db2.gz MVNIIERMRHUHOA-AOOOYVTPSA-N 0 0 247.298 2.390 20 5 BEBDRN C[C@@H](C1CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000078733819 344899953 /nfs/dbraw/zinc/89/99/53/344899953.db2.gz RKSJKZLXAFHJBK-VIFPVBQESA-N 0 0 248.282 2.465 20 5 BEBDRN CC[C@@H](O)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000127243400 345166838 /nfs/dbraw/zinc/16/68/38/345166838.db2.gz TXZIWRBFXLNLDQ-SECBINFHSA-N 0 0 242.250 2.307 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1C[C@H]1C1CCC1 ZINC000425278603 192086846 /nfs/dbraw/zinc/08/68/46/192086846.db2.gz ZDDPCJFNCXOUJW-GXSJLCMTSA-N 0 0 233.271 2.012 20 5 BEBDRN CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163907950 187302726 /nfs/dbraw/zinc/30/27/26/187302726.db2.gz RZPRXHVOOCMZRX-UHFFFAOYSA-N 0 0 234.255 2.106 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCOC[C@@H]2C)c1 ZINC000088700515 345543720 /nfs/dbraw/zinc/54/37/20/345543720.db2.gz ISFHHYNCSIUUNW-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN CC(C)N(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000160823250 187359527 /nfs/dbraw/zinc/35/95/27/187359527.db2.gz VWYKSPWYUQSEME-UHFFFAOYSA-N 0 0 240.234 2.214 20 5 BEBDRN Cc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000166771347 345785253 /nfs/dbraw/zinc/78/52/53/345785253.db2.gz LERHMUCLOKRGRJ-UHFFFAOYSA-N 0 0 221.241 2.422 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)C3(C)C)n1 ZINC000178239657 178928902 /nfs/dbraw/zinc/92/89/02/178928902.db2.gz DQTXEIZLCNFCDW-AOOOYVTPSA-N 0 0 247.298 2.390 20 5 BEBDRN COC1(CCn2cc(C)c([N+](=O)[O-])n2)CCC1 ZINC000418972679 192093061 /nfs/dbraw/zinc/09/30/61/192093061.db2.gz NHTAJRWXQCTKIV-UHFFFAOYSA-N 0 0 239.275 2.059 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn(C2CC(C)(C)C2)c1=O ZINC000601081265 346021618 /nfs/dbraw/zinc/02/16/18/346021618.db2.gz UHVWPZAWHNUSPW-UHFFFAOYSA-N 0 0 236.271 2.426 20 5 BEBDRN Cc1cccc(C(=O)NCCC2CC2)c1[N+](=O)[O-] ZINC000174664215 179015501 /nfs/dbraw/zinc/01/55/01/179015501.db2.gz GXGYWVCFNJKJSW-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN CO[C@H](C)CN(C)c1sccc1[N+](=O)[O-] ZINC000588082794 346632960 /nfs/dbraw/zinc/63/29/60/346632960.db2.gz IZDBHDCEASNLIE-SSDOTTSWSA-N 0 0 230.289 2.127 20 5 BEBDRN Cc1ccnc(N2CC(C3CC3)C2)c1[N+](=O)[O-] ZINC000589695710 346727527 /nfs/dbraw/zinc/72/75/27/346727527.db2.gz QNHUXKXGBRSJII-UHFFFAOYSA-N 0 0 233.271 2.144 20 5 BEBDRN Cc1cccc(N[C@H](C)CCO)c1[N+](=O)[O-] ZINC000218857152 179156726 /nfs/dbraw/zinc/15/67/26/179156726.db2.gz IHNWXUJSFZBAFQ-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cccc(N[C@H]2C=C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000338680713 179157824 /nfs/dbraw/zinc/15/78/24/179157824.db2.gz NYYMWQLMWYCDDU-QWRGUYRKSA-N 0 0 248.282 2.252 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](O)CC2)s1 ZINC000590151581 346783741 /nfs/dbraw/zinc/78/37/41/346783741.db2.gz JWRHVWYUOGCVNA-MRVPVSSYSA-N 0 0 242.300 2.008 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](O)CC2)s1 ZINC000590151582 346783829 /nfs/dbraw/zinc/78/38/29/346783829.db2.gz JWRHVWYUOGCVNA-QMMMGPOBSA-N 0 0 242.300 2.008 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1CCC[C@H](O)CC1 ZINC000590151576 346784010 /nfs/dbraw/zinc/78/40/10/346784010.db2.gz JHXPHUSNSUMDSF-QMMMGPOBSA-N 0 0 242.300 2.008 20 5 BEBDRN Cc1cccc(OCC2(O)CCC2)c1[N+](=O)[O-] ZINC000339324668 179165163 /nfs/dbraw/zinc/16/51/63/179165163.db2.gz BMQROTYSGLCBRE-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN COCC1(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000309936509 347202464 /nfs/dbraw/zinc/20/24/64/347202464.db2.gz AEKOXQBPJPCSFD-UHFFFAOYSA-N 0 0 222.244 2.186 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N(C)CC[C@H](C)O ZINC000135258534 179206983 /nfs/dbraw/zinc/20/69/83/179206983.db2.gz LPJFXOOIFKPGRV-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CCOC1 ZINC000112209158 179207128 /nfs/dbraw/zinc/20/71/28/179207128.db2.gz IXSVVBGAPNJRPF-JTQLQIEISA-N 0 0 236.271 2.352 20 5 BEBDRN CC(F)(F)CNc1ccc([N+](=O)[O-])nc1 ZINC000382108358 347329700 /nfs/dbraw/zinc/32/97/00/347329700.db2.gz JHDUFCQEQKUXTR-UHFFFAOYSA-N 0 0 217.175 2.057 20 5 BEBDRN C[C@H]1CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000590687286 347491323 /nfs/dbraw/zinc/49/13/23/347491323.db2.gz RKQRJIYRRVEJLD-ZETCQYMHSA-N 0 0 232.243 2.070 20 5 BEBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@@H](C)O ZINC000590721709 347493485 /nfs/dbraw/zinc/49/34/85/347493485.db2.gz MOHDMNWCVWNMEH-RNFRBKRXSA-N 0 0 230.289 2.228 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1CC[C@@H](F)C1 ZINC000590714276 347499470 /nfs/dbraw/zinc/49/94/70/347499470.db2.gz BQCMKUCGXHMVQA-ZCFIWIBFSA-N 0 0 216.237 2.205 20 5 BEBDRN CCC1(CNc2ccc([N+](=O)[O-])s2)COC1 ZINC000590726181 347495923 /nfs/dbraw/zinc/49/59/23/347495923.db2.gz ZISNAMPECWQPQK-UHFFFAOYSA-N 0 0 242.300 2.495 20 5 BEBDRN CCc1ncn(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000590585152 347472045 /nfs/dbraw/zinc/47/20/45/347472045.db2.gz PXCVBNYFTMXVPQ-UHFFFAOYSA-N 0 0 246.270 2.105 20 5 BEBDRN O=[N+]([O-])c1ccsc1N[C@H]1CC[C@@H](CO)C1 ZINC000590711461 347498767 /nfs/dbraw/zinc/49/87/67/347498767.db2.gz LNKATCWBJIAXLG-SFYZADRCSA-N 0 0 242.300 2.229 20 5 BEBDRN Cc1cnc(N2CCC[C@H]2CF)c([N+](=O)[O-])c1 ZINC000292697338 347514754 /nfs/dbraw/zinc/51/47/54/347514754.db2.gz AJTYPTFALHNBIG-VIFPVBQESA-N 0 0 239.250 2.237 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@H]2CS3)s1 ZINC000591185479 347628238 /nfs/dbraw/zinc/62/82/38/347628238.db2.gz JDOLLPNJJAIHHK-BQBZGAKWSA-N 0 0 242.325 2.350 20 5 BEBDRN C[C@H]1[C@@H](C)N(c2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000591369058 347654760 /nfs/dbraw/zinc/65/47/60/347654760.db2.gz QFFPIVYWBXDNCF-OPRDCNLKSA-N 0 0 235.287 2.471 20 5 BEBDRN O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CC12CC2 ZINC000591507865 347668970 /nfs/dbraw/zinc/66/89/70/347668970.db2.gz ZKFPRKJXQANCBJ-LLVKDONJSA-N 0 0 246.266 2.011 20 5 BEBDRN O=[N+]([O-])c1ncccc1OCC1=CCCC1 ZINC000592343353 347769038 /nfs/dbraw/zinc/76/90/38/347769038.db2.gz SVIOGCYPGFYSQG-UHFFFAOYSA-N 0 0 220.228 2.479 20 5 BEBDRN CC(C)=CCn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000592348491 347770313 /nfs/dbraw/zinc/77/03/13/347770313.db2.gz HHENSZLALAHEFR-UHFFFAOYSA-N 0 0 248.238 2.469 20 5 BEBDRN O=c1oc2cccc([N+](=O)[O-])c2n1CCC1CC1 ZINC000592349022 347770475 /nfs/dbraw/zinc/77/04/75/347770475.db2.gz MOJRNANPWPBRKF-UHFFFAOYSA-N 0 0 248.238 2.303 20 5 BEBDRN CCn1nccc1-c1cc(OC)cc([N+](=O)[O-])c1 ZINC000592986358 347836729 /nfs/dbraw/zinc/83/67/29/347836729.db2.gz MXYMRZSKBXIJSF-UHFFFAOYSA-N 0 0 247.254 2.487 20 5 BEBDRN Cc1cc(N(C)[C@@H](C)CCO)ccc1[N+](=O)[O-] ZINC000593517027 347903350 /nfs/dbraw/zinc/90/33/50/347903350.db2.gz BYYRCYGIMUGCMH-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC1CC2(CCC2)C1 ZINC000593515601 347902832 /nfs/dbraw/zinc/90/28/32/347902832.db2.gz HUQDCKVYVXPBGR-UHFFFAOYSA-N 0 0 233.271 2.156 20 5 BEBDRN CC1(NC(=O)c2cccc([N+](=O)[O-])c2)CC=CC1 ZINC000594072309 347998770 /nfs/dbraw/zinc/99/87/70/347998770.db2.gz LOJOBXRAOMCYHJ-UHFFFAOYSA-N 0 0 246.266 2.433 20 5 BEBDRN CC1(NC(=O)c2ccc([N+](=O)[O-])cc2)CC=CC1 ZINC000594074935 347999822 /nfs/dbraw/zinc/99/98/22/347999822.db2.gz YXVXSJJRHSTVHQ-UHFFFAOYSA-N 0 0 246.266 2.433 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1NCCSC ZINC000594539396 348065747 /nfs/dbraw/zinc/06/57/47/348065747.db2.gz IQKVLBJJBTYFSO-UHFFFAOYSA-N 0 0 242.300 2.378 20 5 BEBDRN COCC1(CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000594591860 348079344 /nfs/dbraw/zinc/07/93/44/348079344.db2.gz GKNMMKBBRUEYBR-UHFFFAOYSA-N 0 0 242.300 2.495 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1N1CC[C@H](F)C1 ZINC000594583228 348076730 /nfs/dbraw/zinc/07/67/30/348076730.db2.gz DBTXQPCGXKMNEO-QMMMGPOBSA-N 0 0 240.234 2.152 20 5 BEBDRN CC(C)[C@H](C)Oc1cccnc1[N+](=O)[O-] ZINC000594882615 348119834 /nfs/dbraw/zinc/11/98/34/348119834.db2.gz YDCMECVZEUVQHM-QMMMGPOBSA-N 0 0 210.233 2.413 20 5 BEBDRN O=[N+]([O-])c1ccnn1CCOCc1ccccc1 ZINC000594886398 348121100 /nfs/dbraw/zinc/12/11/00/348121100.db2.gz PNBCYSJWHCOJED-UHFFFAOYSA-N 0 0 247.254 2.008 20 5 BEBDRN O=[N+]([O-])c1ccc(-n2cc(C3CC3)nn2)cc1 ZINC000594640268 348097082 /nfs/dbraw/zinc/09/70/82/348097082.db2.gz JQNUYMSLEYFKSW-UHFFFAOYSA-N 0 0 230.227 2.053 20 5 BEBDRN CC(C)=CCCn1c(C)c([N+](=O)[O-])ccc1=O ZINC000594898039 348131042 /nfs/dbraw/zinc/13/10/42/348131042.db2.gz YAQONQQOEFDCDC-UHFFFAOYSA-N 0 0 236.271 2.421 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1CN1CC=CCC1 ZINC000595428164 348247786 /nfs/dbraw/zinc/24/77/86/348247786.db2.gz MYKXIUAMAJCYIV-UHFFFAOYSA-N 0 0 236.246 2.496 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H](F)C1 ZINC000595513917 348266930 /nfs/dbraw/zinc/26/69/30/348266930.db2.gz HTHJRLWFYAMQIW-SNVBAGLBSA-N 0 0 242.225 2.278 20 5 BEBDRN CN(c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000204449704 348319926 /nfs/dbraw/zinc/31/99/26/348319926.db2.gz POYROCQOTUOVFA-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN O=[N+]([O-])c1cc(CN2CC[C@@H]3C[C@@H]3C2)cs1 ZINC000595808657 348349627 /nfs/dbraw/zinc/34/96/27/348349627.db2.gz OSCFUKJAPNAVSF-NXEZZACHSA-N 0 0 238.312 2.498 20 5 BEBDRN COc1cc(N2CCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596068199 348437278 /nfs/dbraw/zinc/43/72/78/348437278.db2.gz FWIHYIOVNBXBTP-UHFFFAOYSA-N 0 0 242.662 2.467 20 5 BEBDRN Cc1cc(=O)n(C[C@@H]2C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000596020513 348423683 /nfs/dbraw/zinc/42/36/83/348423683.db2.gz FXDPTPKBTJNILN-JGPRNRPPSA-N 0 0 248.282 2.111 20 5 BEBDRN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000596246571 348486462 /nfs/dbraw/zinc/48/64/62/348486462.db2.gz DYVSVUGKAGPMGP-RNFRBKRXSA-N 0 0 241.678 2.488 20 5 BEBDRN C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])[C@H]1C ZINC000596247004 348486971 /nfs/dbraw/zinc/48/69/71/348486971.db2.gz HDKOPGWKMYZFDU-RQJHMYQMSA-N 0 0 241.678 2.488 20 5 BEBDRN Cc1cc(N[C@@H](CO)CCF)c([N+](=O)[O-])s1 ZINC000596293363 348489454 /nfs/dbraw/zinc/48/94/54/348489454.db2.gz CCSPACVTMSMKEI-SSDOTTSWSA-N 0 0 248.279 2.097 20 5 BEBDRN Cc1cc(NCC[C@H](C)O)c([N+](=O)[O-])s1 ZINC000596128448 348446098 /nfs/dbraw/zinc/44/60/98/348446098.db2.gz IDRJVLHBFRAIQO-LURJTMIESA-N 0 0 230.289 2.148 20 5 BEBDRN CO[C@H](C)CN(C)c1cc(C)sc1[N+](=O)[O-] ZINC000596232487 348463125 /nfs/dbraw/zinc/46/31/25/348463125.db2.gz UXUOEPNYNNUDOR-SSDOTTSWSA-N 0 0 244.316 2.436 20 5 BEBDRN Cc1cnc(N2C[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000596251540 348474332 /nfs/dbraw/zinc/47/43/32/348474332.db2.gz XJEXVFDSWKYWMY-IUCAKERBSA-N 0 0 221.260 2.143 20 5 BEBDRN Cc1noc(COc2ccc(C)nc2)c1[N+](=O)[O-] ZINC000596252919 348474776 /nfs/dbraw/zinc/47/47/76/348474776.db2.gz NXZMDBVHNWMCTF-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN Cc1cc(N2CC=CC2)c([N+](=O)[O-])s1 ZINC000596268517 348480903 /nfs/dbraw/zinc/48/09/03/348480903.db2.gz JFSUWMWOGULNMA-UHFFFAOYSA-N 0 0 210.258 2.341 20 5 BEBDRN CC[C@H](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596456265 348542656 /nfs/dbraw/zinc/54/26/56/348542656.db2.gz LQNFJKPNKUVJOD-QMMMGPOBSA-N 0 0 239.275 2.089 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCCOCCF ZINC000596569922 348581485 /nfs/dbraw/zinc/58/14/85/348581485.db2.gz NRQNQXXXBDQISX-UHFFFAOYSA-N 0 0 234.252 2.054 20 5 BEBDRN CO[C@@]1(C)C[C@H]1Nc1c(C)cccc1[N+](=O)[O-] ZINC000596541170 348583070 /nfs/dbraw/zinc/58/30/70/348583070.db2.gz YMGOSWCFIPMFQQ-PWSUYJOCSA-N 0 0 236.271 2.493 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000596474926 348553891 /nfs/dbraw/zinc/55/38/91/348553891.db2.gz TWKLHNBFCVHDEZ-VWYCJHECSA-N 0 0 247.298 2.260 20 5 BEBDRN C[C@@H](O)[C@H]1CCCN1c1ccc([N+](=O)[O-])s1 ZINC000596488244 348559771 /nfs/dbraw/zinc/55/97/71/348559771.db2.gz MTXGQOHGXQKGTG-HTQZYQBOSA-N 0 0 242.300 2.006 20 5 BEBDRN Cc1nc(NCCC(C)(C)F)ccc1[N+](=O)[O-] ZINC000596468538 348562710 /nfs/dbraw/zinc/56/27/10/348562710.db2.gz LEBYUXJCZNHOFD-UHFFFAOYSA-N 0 0 241.266 2.270 20 5 BEBDRN Cc1nc(N2CC[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000596508164 348571447 /nfs/dbraw/zinc/57/14/47/348571447.db2.gz BJKKBMGOABYKLX-UWVGGRQHSA-N 0 0 233.271 2.144 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CO[C@H](C)C1 ZINC000401940147 348780045 /nfs/dbraw/zinc/78/00/45/348780045.db2.gz OJJBCZDWXXRJEA-NXEZZACHSA-N 0 0 236.271 2.493 20 5 BEBDRN O=C(N[C@@]12C[C@@H]1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000597884643 348833190 /nfs/dbraw/zinc/83/31/90/348833190.db2.gz PMKTXYDVTIAHJO-GWCFXTLKSA-N 0 0 246.266 2.267 20 5 BEBDRN CC(C)(O)CCNc1ccc([N+](=O)[O-])s1 ZINC000308846371 348853373 /nfs/dbraw/zinc/85/33/73/348853373.db2.gz MLDMKDDCUMKNAG-UHFFFAOYSA-N 0 0 230.289 2.229 20 5 BEBDRN O=C(CCCF)Nc1ccc([N+](=O)[O-])cc1 ZINC000598802085 349045918 /nfs/dbraw/zinc/04/59/18/349045918.db2.gz BPGZMPFAIRKEKR-UHFFFAOYSA-N 0 0 226.207 2.283 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1CC(CC2CC2)C1 ZINC000598644561 349008366 /nfs/dbraw/zinc/00/83/66/349008366.db2.gz PYNLSYTXZPVPKR-UHFFFAOYSA-N 0 0 233.271 2.226 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC(CC3CC3)C2)cn1 ZINC000598644565 349008374 /nfs/dbraw/zinc/00/83/74/349008374.db2.gz QBUXSFZBPKDSEW-UHFFFAOYSA-N 0 0 233.271 2.226 20 5 BEBDRN Cc1cnn(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000078805489 179744437 /nfs/dbraw/zinc/74/44/37/179744437.db2.gz WCDYKGUESIMHAZ-UHFFFAOYSA-N 0 0 217.228 2.148 20 5 BEBDRN O=[N+]([O-])c1c2ccncc2ccc1N1CCC1 ZINC000599022486 349077495 /nfs/dbraw/zinc/07/74/95/349077495.db2.gz LPFTWZFLRXABNS-UHFFFAOYSA-N 0 0 229.239 2.353 20 5 BEBDRN Cc1cncnc1NCc1cccc([N+](=O)[O-])c1 ZINC001639489163 1172112389 /nfs/dbraw/zinc/11/23/89/1172112389.db2.gz LWDABWKPLUXVBM-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cc(NCC2COC2)c([N+](=O)[O-])s1 ZINC000599178334 349120936 /nfs/dbraw/zinc/12/09/36/349120936.db2.gz IUVHUJKQEVMLBH-UHFFFAOYSA-N 0 0 228.273 2.023 20 5 BEBDRN CC[C@@H](COC)Nc1ccc([N+](=O)[O-])s1 ZINC000308946104 349178438 /nfs/dbraw/zinc/17/84/38/349178438.db2.gz NTFHHSZTOMCONQ-ZETCQYMHSA-N 0 0 230.289 2.493 20 5 BEBDRN CCCC1(CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000230874472 168600917 /nfs/dbraw/zinc/60/09/17/168600917.db2.gz XJFFFKLOVRWFEU-UHFFFAOYSA-N 0 0 236.275 2.377 20 5 BEBDRN Cc1n[nH]cc1CNc1ccc([N+](=O)[O-])cc1 ZINC000037893413 179859511 /nfs/dbraw/zinc/85/95/11/179859511.db2.gz PQNQZGGPAYCRPI-UHFFFAOYSA-N 0 0 232.243 2.238 20 5 BEBDRN C[C@H]1CC[C@@H]1Nc1cccnc1[N+](=O)[O-] ZINC000309039868 349367714 /nfs/dbraw/zinc/36/77/14/349367714.db2.gz JCGKLPCDRKNOIJ-YUMQZZPRSA-N 0 0 207.233 2.200 20 5 BEBDRN Cc1nc(N2CCCCCC2)ncc1[N+](=O)[O-] ZINC000295433285 180000632 /nfs/dbraw/zinc/00/06/32/180000632.db2.gz MPTWMTPWQCFHHT-UHFFFAOYSA-N 0 0 236.275 2.074 20 5 BEBDRN Cc1nc(NC(=O)C[C@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000362012919 180008673 /nfs/dbraw/zinc/00/86/73/180008673.db2.gz MHNFKHDQHYIBRJ-IONNQARKSA-N 0 0 249.270 2.283 20 5 BEBDRN Cc1nc(NC[C@@H]2CC=CCC2)ncc1[N+](=O)[O-] ZINC000295465993 180018816 /nfs/dbraw/zinc/01/88/16/180018816.db2.gz IEMFSGYGCUGRHH-SNVBAGLBSA-N 0 0 248.286 2.461 20 5 BEBDRN Cc1nc(N[C@H](C)CF)ccc1[N+](=O)[O-] ZINC000288271509 180023609 /nfs/dbraw/zinc/02/36/09/180023609.db2.gz QHLNSKJAHRDSEZ-ZCFIWIBFSA-N 0 0 213.212 2.068 20 5 BEBDRN Cc1cccc(C(=O)N2CC[C@H]2C)c1[N+](=O)[O-] ZINC000604397741 350123749 /nfs/dbraw/zinc/12/37/49/350123749.db2.gz GLNYUWKYCHCZFI-SECBINFHSA-N 0 0 234.255 2.138 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1COC1CCCC1 ZINC000361084314 180175252 /nfs/dbraw/zinc/17/52/52/180175252.db2.gz BGEATQRBZMQBPW-UHFFFAOYSA-N 0 0 225.248 2.016 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCCc1ccncc1 ZINC000357760366 180175897 /nfs/dbraw/zinc/17/58/97/180175897.db2.gz KXOYNUVRVVDBRK-UHFFFAOYSA-N 0 0 246.270 2.128 20 5 BEBDRN O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc[nH]1 ZINC000006124217 350204878 /nfs/dbraw/zinc/20/48/78/350204878.db2.gz YBISGOPDEMBBIN-UHFFFAOYSA-N 0 0 246.222 2.185 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CC1CC(F)(F)C1 ZINC000336257674 180176542 /nfs/dbraw/zinc/17/65/42/180176542.db2.gz RBRVEMNXNIBTSZ-UHFFFAOYSA-N 0 0 231.202 2.145 20 5 BEBDRN CC(C)[C@@H](Nc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000324494637 350301880 /nfs/dbraw/zinc/30/18/80/350301880.db2.gz FHNWVFKNGNRMNG-SNVBAGLBSA-N 0 0 236.275 2.231 20 5 BEBDRN CC(C)[C@@H](Nc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000324516657 350304425 /nfs/dbraw/zinc/30/44/25/350304425.db2.gz JPUYHQNEKCLOFC-SECBINFHSA-N 0 0 238.291 2.175 20 5 BEBDRN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1 ZINC000050823742 350392361 /nfs/dbraw/zinc/39/23/61/350392361.db2.gz XTVQSJJAUSTDBG-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN Cc1nn(C)c(NCC2(C)CCC2)c1[N+](=O)[O-] ZINC000226809035 180358283 /nfs/dbraw/zinc/35/82/83/180358283.db2.gz UGQSBRYHVHEELS-UHFFFAOYSA-N 0 0 238.291 2.239 20 5 BEBDRN Cc1nn(C)cc1/C=C\c1ccc([N+](=O)[O-])cn1 ZINC000339405546 180364637 /nfs/dbraw/zinc/36/46/37/180364637.db2.gz BLGWINNDGWVZOV-ARJAWSKDSA-N 0 0 244.254 2.202 20 5 BEBDRN Cc1nn(C)cc1/C=C/c1ccc([N+](=O)[O-])cn1 ZINC000121313146 180365103 /nfs/dbraw/zinc/36/51/03/180365103.db2.gz BLGWINNDGWVZOV-ONEGZZNKSA-N 0 0 244.254 2.202 20 5 BEBDRN O=C(Oc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000034416132 350468202 /nfs/dbraw/zinc/46/82/02/350468202.db2.gz JKXTZSGGYODYLS-UHFFFAOYSA-N 0 0 221.212 2.300 20 5 BEBDRN Cc1nn(CCOCCC(C)C)cc1[N+](=O)[O-] ZINC000295434243 180389737 /nfs/dbraw/zinc/38/97/37/180389737.db2.gz VBKCPJIIGSXOIF-UHFFFAOYSA-N 0 0 241.291 2.162 20 5 BEBDRN Cc1nc(N2[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000530379579 323383656 /nfs/dbraw/zinc/38/36/56/323383656.db2.gz JGZJHBHVGRHXHK-HTQZYQBOSA-N 0 0 221.260 2.285 20 5 BEBDRN Cc1nnc(Oc2ccc([N+](=O)[O-])cc2)nc1C ZINC000359225454 180437962 /nfs/dbraw/zinc/43/79/62/180437962.db2.gz UFAZEUWBVCDENR-UHFFFAOYSA-N 0 0 246.226 2.189 20 5 BEBDRN CC1(C)[C@@H](O)C[C@@H]1Nc1ccsc1[N+](=O)[O-] ZINC000309501237 350614803 /nfs/dbraw/zinc/61/48/03/350614803.db2.gz UZCUGYFZNBIHIM-YUMQZZPRSA-N 0 0 242.300 2.228 20 5 BEBDRN CC(C)CCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000265474248 350891227 /nfs/dbraw/zinc/89/12/27/350891227.db2.gz BVQDVZYJZSJIGX-UHFFFAOYSA-N 0 0 244.678 2.456 20 5 BEBDRN O=[N+]([O-])c1c2cccnc2ccc1N1CC(F)C1 ZINC000343455297 350970413 /nfs/dbraw/zinc/97/04/13/350970413.db2.gz RCULQJHHNJPODX-UHFFFAOYSA-N 0 0 247.229 2.301 20 5 BEBDRN COc1ccc(Cn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000343791629 350996244 /nfs/dbraw/zinc/99/62/44/350996244.db2.gz QKRDOKVBLAARNY-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN Cc1cc(N[C@H]2C[C@@H]2C(F)F)ncc1[N+](=O)[O-] ZINC000343832881 350998684 /nfs/dbraw/zinc/99/86/84/350998684.db2.gz DONRJFTZSJVOKJ-BQBZGAKWSA-N 0 0 243.213 2.364 20 5 BEBDRN CC(C)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000086126348 350948627 /nfs/dbraw/zinc/94/86/27/350948627.db2.gz KKMGKSMACMJOTC-NSHDSACASA-N 0 0 224.260 2.024 20 5 BEBDRN CCN(C[C@H](C)O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000343259867 350953333 /nfs/dbraw/zinc/95/33/33/350953333.db2.gz ZZERZAFRNZCWCJ-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN C[C@@H](Oc1cccnc1[N+](=O)[O-])C(F)(F)F ZINC000159949742 351125993 /nfs/dbraw/zinc/12/59/93/351125993.db2.gz JRMVCJLKTMXSGO-RXMQYKEDSA-N 0 0 236.149 2.319 20 5 BEBDRN C[C@H]1CCC[C@@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000025571675 351129813 /nfs/dbraw/zinc/12/98/13/351129813.db2.gz BSSOPVFPEOXFNC-DTWKUNHWSA-N 0 0 238.291 2.319 20 5 BEBDRN CC[C@@H](Nc1cc(C)ccc1[N+](=O)[O-])[C@H](C)O ZINC000386654419 363024309 /nfs/dbraw/zinc/02/43/09/363024309.db2.gz CHVHMDMOORPLGS-VHSXEESVSA-N 0 0 238.287 2.475 20 5 BEBDRN C=C=CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC001639968332 1172145852 /nfs/dbraw/zinc/14/58/52/1172145852.db2.gz MRRCGWYEISRNHY-UHFFFAOYSA-N 0 0 248.267 2.353 20 5 BEBDRN Cc1ccn(CC2(C)CCC2)c(=O)c1[N+](=O)[O-] ZINC000336260450 191145555 /nfs/dbraw/zinc/14/55/55/191145555.db2.gz OTTUKHKZCBMUHX-UHFFFAOYSA-N 0 0 236.271 2.255 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057835318 352177173 /nfs/dbraw/zinc/17/71/73/352177173.db2.gz MMTCYUHMKGQVCI-KWQFWETISA-N 0 0 246.266 2.140 20 5 BEBDRN CC(C)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000078728413 187620241 /nfs/dbraw/zinc/62/02/41/187620241.db2.gz FQICIZBQMFDWKS-UHFFFAOYSA-N 0 0 222.244 2.075 20 5 BEBDRN COC[C@H](Nc1ccc([N+](=O)[O-])nc1)C(C)C ZINC000086702940 352520317 /nfs/dbraw/zinc/52/03/17/352520317.db2.gz FMIZPCZHGOYYHI-JTQLQIEISA-N 0 0 239.275 2.073 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NCC1(C)CCCC1 ZINC000066468047 180771933 /nfs/dbraw/zinc/77/19/33/180771933.db2.gz GVXIIEIBAKLWFL-UHFFFAOYSA-N 0 0 238.291 2.321 20 5 BEBDRN Cc1ccc(NCCn2cccn2)c([N+](=O)[O-])c1 ZINC000042541837 352623393 /nfs/dbraw/zinc/62/33/93/352623393.db2.gz UJMRUKMNCKSPGF-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN CC(C)[C@H](C)N(C)c1ncccc1[N+](=O)[O-] ZINC000264945789 188021340 /nfs/dbraw/zinc/02/13/40/188021340.db2.gz VHGTXNYCSNVSDF-VIFPVBQESA-N 0 0 223.276 2.471 20 5 BEBDRN CC(C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000269788421 188025136 /nfs/dbraw/zinc/02/51/36/188025136.db2.gz FBOFDFMCSJDVCB-MRVPVSSYSA-N 0 0 239.275 2.087 20 5 BEBDRN CC(C)(CO)CNc1ccc([N+](=O)[O-])cc1F ZINC000126383459 188048003 /nfs/dbraw/zinc/04/80/03/188048003.db2.gz AXYJXOPDBNPKDX-UHFFFAOYSA-N 0 0 242.250 2.164 20 5 BEBDRN Cn1cc(Nc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000048571363 353159875 /nfs/dbraw/zinc/15/98/75/353159875.db2.gz ZCGDXUOUJBFUMW-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN Cc1nc(Cl)nc(OC(C)C)c1[N+](=O)[O-] ZINC000232711658 353265040 /nfs/dbraw/zinc/26/50/40/353265040.db2.gz OSSPQNTVNKDZKG-UHFFFAOYSA-N 0 0 231.639 2.134 20 5 BEBDRN Cc1nccc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000037999324 188254682 /nfs/dbraw/zinc/25/46/82/188254682.db2.gz FCGKXBZSZMGZRS-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC(C)(C)[C@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000265388713 188261183 /nfs/dbraw/zinc/26/11/83/188261183.db2.gz BKFPNTLTVHVUHM-NSHDSACASA-N 0 0 238.287 2.414 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](C)O ZINC000276500279 188265645 /nfs/dbraw/zinc/26/56/45/188265645.db2.gz RJKHRMBASMUMFV-ZETCQYMHSA-N 0 0 244.678 2.349 20 5 BEBDRN CC1(C)SC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000282000955 188268240 /nfs/dbraw/zinc/26/82/40/188268240.db2.gz UGGRIJFZHHFRMK-RXMQYKEDSA-N 0 0 245.329 2.357 20 5 BEBDRN CC(C)(CO)CCNc1ccc([N+](=O)[O-])cc1 ZINC000294911059 188269790 /nfs/dbraw/zinc/26/97/90/188269790.db2.gz IFLKOCIXECDLQS-UHFFFAOYSA-N 0 0 238.287 2.415 20 5 BEBDRN CC(C)=CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000048807268 188298031 /nfs/dbraw/zinc/29/80/31/188298031.db2.gz XUCCRECMSKVJEM-UHFFFAOYSA-N 0 0 234.255 2.177 20 5 BEBDRN C[C@H]1CSC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000336755649 188347419 /nfs/dbraw/zinc/34/74/19/188347419.db2.gz XTLSOJVVKSKOPK-IONNQARKSA-N 0 0 239.300 2.153 20 5 BEBDRN CC(C)=CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000191827252 188350693 /nfs/dbraw/zinc/35/06/93/188350693.db2.gz DAUBQZFXDZPBRV-UHFFFAOYSA-N 0 0 234.255 2.291 20 5 BEBDRN Cc1cccc(OCc2cncn2C)c1[N+](=O)[O-] ZINC000270076653 188374725 /nfs/dbraw/zinc/37/47/25/188374725.db2.gz KOLQAYBOBOOJEW-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1ccnc(CNc2cccc([N+](=O)[O-])c2)n1 ZINC000339413818 188368856 /nfs/dbraw/zinc/36/88/56/188368856.db2.gz RELXITBLAIVTEU-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN C[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CCC1 ZINC000093475660 353487041 /nfs/dbraw/zinc/48/70/41/353487041.db2.gz PVLKKQFGQKNIJV-UHFFFAOYSA-N 0 0 236.271 2.285 20 5 BEBDRN C/C=C/CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000600492272 363239753 /nfs/dbraw/zinc/23/97/53/363239753.db2.gz QHKZKYKRWQNWJF-FSIBCCDJSA-N 0 0 248.282 2.391 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC1CC1 ZINC000194084390 353618261 /nfs/dbraw/zinc/61/82/61/353618261.db2.gz KDUIIVODNZINTA-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCCCC2)s1 ZINC000195505111 353765857 /nfs/dbraw/zinc/76/58/57/353765857.db2.gz JPOOFKDWLWPWDG-UHFFFAOYSA-N 0 0 213.262 2.042 20 5 BEBDRN C[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178457173 366126441 /nfs/dbraw/zinc/12/64/41/366126441.db2.gz IAMIEDFDKNTKGY-SECBINFHSA-N 0 0 248.282 2.257 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CC23CCCC3)nc1 ZINC000387035007 363379808 /nfs/dbraw/zinc/37/98/08/363379808.db2.gz QRPCAAYIOPKEHA-VIFPVBQESA-N 0 0 234.259 2.129 20 5 BEBDRN CC[C@@H](C)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000004243320 354817233 /nfs/dbraw/zinc/81/72/33/354817233.db2.gz RXCBAOPNEFTESD-RXMQYKEDSA-N 0 0 230.655 2.249 20 5 BEBDRN O=[N+]([O-])c1cccc(CN2CCC(F)(F)C2)c1 ZINC000335958625 134024117 /nfs/dbraw/zinc/02/41/17/134024117.db2.gz ZXNIJLJSWXPVRK-UHFFFAOYSA-N 0 0 242.225 2.436 20 5 BEBDRN CC(C)[C@@H](O)CSc1ncccc1[N+](=O)[O-] ZINC000412989174 191331042 /nfs/dbraw/zinc/33/10/42/191331042.db2.gz FNIVPPPUDSVGLQ-VIFPVBQESA-N 0 0 242.300 2.099 20 5 BEBDRN CC1(C)CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1=O ZINC000412989609 191331401 /nfs/dbraw/zinc/33/14/01/191331401.db2.gz NHAGWCURKDAPHL-SECBINFHSA-N 0 0 237.259 2.112 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1[C@H]1CCC(C)(C)C1=O ZINC000412990091 191331470 /nfs/dbraw/zinc/33/14/70/191331470.db2.gz HMHLCKSHIWUSIZ-QMMMGPOBSA-N 0 0 237.259 2.030 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC23CCC3)c(F)c1 ZINC000413168057 191359765 /nfs/dbraw/zinc/35/97/65/191359765.db2.gz JAZVCFRBFRBATI-UHFFFAOYSA-N 0 0 237.234 2.262 20 5 BEBDRN Cc1nn([C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000413004378 191336706 /nfs/dbraw/zinc/33/67/06/191336706.db2.gz SRBBYDZWDBVUOB-SECBINFHSA-N 0 0 239.275 2.230 20 5 BEBDRN CC(C)[C@@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000413005601 191338207 /nfs/dbraw/zinc/33/82/07/191338207.db2.gz ZLZWQBPCYSXZDK-VIFPVBQESA-N 0 0 242.300 2.099 20 5 BEBDRN CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413020991 191342306 /nfs/dbraw/zinc/34/23/06/191342306.db2.gz AGTNLDQCNHEMMF-UHFFFAOYSA-N 0 0 235.165 2.440 20 5 BEBDRN C[C@@H]1C[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413054256 191351204 /nfs/dbraw/zinc/35/12/04/191351204.db2.gz NDUFNZKXMJVSGT-RNFRBKRXSA-N 0 0 225.223 2.197 20 5 BEBDRN C[C@H]1CC[C@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413295857 191368689 /nfs/dbraw/zinc/36/86/89/191368689.db2.gz PVTBWLXTDBFDNZ-IMTBSYHQSA-N 0 0 225.223 2.339 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@@H]2C2CC2)c(F)c1 ZINC000413316340 191371622 /nfs/dbraw/zinc/37/16/22/191371622.db2.gz PQYZWFBZQIQJGF-SNVBAGLBSA-N 0 0 237.234 2.118 20 5 BEBDRN CC(C)[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000413439123 191379900 /nfs/dbraw/zinc/37/99/00/191379900.db2.gz QLBBQOKFFDYGDW-VHSXEESVSA-N 0 0 221.260 2.446 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC[C@@H]1CCCS1 ZINC000087475406 355294050 /nfs/dbraw/zinc/29/40/50/355294050.db2.gz GAESCHSMIZWKJB-QMMMGPOBSA-N 0 0 239.300 2.297 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC[C@H]1CCCS1 ZINC000087475408 355294162 /nfs/dbraw/zinc/29/41/62/355294162.db2.gz GAESCHSMIZWKJB-MRVPVSSYSA-N 0 0 239.300 2.297 20 5 BEBDRN CC(C)CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000009460406 355759487 /nfs/dbraw/zinc/75/94/87/355759487.db2.gz ZVKLKPVSMYJYOI-UHFFFAOYSA-N 0 0 242.300 2.432 20 5 BEBDRN COC(=O)CCSc1ccccc1[N+](=O)[O-] ZINC000035082349 355795862 /nfs/dbraw/zinc/79/58/62/355795862.db2.gz QHGGMHCOUBRKTQ-UHFFFAOYSA-N 0 0 241.268 2.250 20 5 BEBDRN C[C@@H](Nc1ncccc1[N+](=O)[O-])C1CC1 ZINC000035135066 355842164 /nfs/dbraw/zinc/84/21/64/355842164.db2.gz GJBJKYPCUIXLIK-SSDOTTSWSA-N 0 0 207.233 2.200 20 5 BEBDRN COc1cccc(NCCSC)c1[N+](=O)[O-] ZINC000129695984 355882073 /nfs/dbraw/zinc/88/20/73/355882073.db2.gz QZIKKXFVHGYGCU-UHFFFAOYSA-N 0 0 242.300 2.378 20 5 BEBDRN C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000035205653 355887851 /nfs/dbraw/zinc/88/78/51/355887851.db2.gz GZPVMPZLYHEDSQ-LURJTMIESA-N 0 0 230.651 2.041 20 5 BEBDRN CC(=O)c1ccc(Cn2cnc([N+](=O)[O-])c2)cc1 ZINC001640834034 1172195268 /nfs/dbraw/zinc/19/52/68/1172195268.db2.gz DGBNDRWETCQTDW-UHFFFAOYSA-N 0 0 245.238 2.042 20 5 BEBDRN CC(C)(C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000049379688 356421222 /nfs/dbraw/zinc/42/12/22/356421222.db2.gz JEUWEOFPPVYRSZ-UHFFFAOYSA-N 0 0 236.271 2.257 20 5 BEBDRN CC[C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000049379672 356421432 /nfs/dbraw/zinc/42/14/32/356421432.db2.gz DZXQRYUBORBDOL-VIFPVBQESA-N 0 0 236.271 2.257 20 5 BEBDRN CC/C=C\CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420623149 192247149 /nfs/dbraw/zinc/24/71/49/192247149.db2.gz FGGULEDQKDPIMV-ARJAWSKDSA-N 0 0 249.270 2.072 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@]23CCOC3)c1 ZINC000420642998 192253537 /nfs/dbraw/zinc/25/35/37/192253537.db2.gz PSWHEYJXGMFNDG-CYBMUJFWSA-N 0 0 248.282 2.272 20 5 BEBDRN C[C@@H]1OCC[C@H]1Sc1ccc([N+](=O)[O-])nc1 ZINC000450402155 202156430 /nfs/dbraw/zinc/15/64/30/202156430.db2.gz IFWRDEBEGCNVPB-IONNQARKSA-N 0 0 240.284 2.259 20 5 BEBDRN CC/C=C\CNc1c([N+](=O)[O-])c(C)nn1C ZINC000384700404 356722223 /nfs/dbraw/zinc/72/22/23/356722223.db2.gz AOHGJVQPQRFZNF-WAYWQWQTSA-N 0 0 224.264 2.015 20 5 BEBDRN CC/C=C/CNc1ncc([N+](=O)[O-])cc1C ZINC000384747414 356740177 /nfs/dbraw/zinc/74/01/77/356740177.db2.gz NJQIIIUFHBADQH-SNAWJCMRSA-N 0 0 221.260 2.098 20 5 BEBDRN C[C@@H](CCCO)Nc1ccc([N+](=O)[O-])s1 ZINC000088758136 356807926 /nfs/dbraw/zinc/80/79/26/356807926.db2.gz DTXQXGNGVGLSPX-ZETCQYMHSA-N 0 0 230.289 2.229 20 5 BEBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])nc1)C(F)F ZINC000450570324 202201063 /nfs/dbraw/zinc/20/10/63/202201063.db2.gz WZSRPFXIVBFMKC-SSDOTTSWSA-N 0 0 231.202 2.445 20 5 BEBDRN Cc1nn(CCC(C)(F)F)c(C)c1[N+](=O)[O-] ZINC000450568124 202202100 /nfs/dbraw/zinc/20/21/00/202202100.db2.gz SGCAQTPPHSWXSG-UHFFFAOYSA-N 0 0 233.218 2.453 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC3(CC3)C2)n1 ZINC000450580704 202203511 /nfs/dbraw/zinc/20/35/11/202203511.db2.gz MTRYBTLNRNMJLV-UHFFFAOYSA-N 0 0 233.271 2.207 20 5 BEBDRN Cc1cnc(NC(CF)CF)c([N+](=O)[O-])c1 ZINC000450594355 202206114 /nfs/dbraw/zinc/20/61/14/202206114.db2.gz SCTYYTKHWMHEOI-UHFFFAOYSA-N 0 0 231.202 2.018 20 5 BEBDRN CCc1nnc(CNc2ccc([N+](=O)[O-])cc2)o1 ZINC000346742349 357149523 /nfs/dbraw/zinc/14/95/23/357149523.db2.gz GGAXUNXYGHQCGL-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC=CC1 ZINC000618466014 357193626 /nfs/dbraw/zinc/19/36/26/357193626.db2.gz SLAIVXAJBHBCQY-UHFFFAOYSA-N 0 0 246.266 2.352 20 5 BEBDRN Cc1ccc(OCc2ncccn2)c([N+](=O)[O-])c1 ZINC000191720733 357792120 /nfs/dbraw/zinc/79/21/20/357792120.db2.gz DWGYTBFCGHBVOD-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN Cc1cnc(N2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000618984029 357997557 /nfs/dbraw/zinc/99/75/57/357997557.db2.gz RZGXSPFORJSZFI-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN CN(CCCCCO)c1sccc1[N+](=O)[O-] ZINC000618980256 357996665 /nfs/dbraw/zinc/99/66/65/357996665.db2.gz GUXYEVLZAWVCFG-UHFFFAOYSA-N 0 0 244.316 2.255 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(C)(C)C2)c1 ZINC000619147507 358003607 /nfs/dbraw/zinc/00/36/07/358003607.db2.gz ZGPGSFDVGILRHC-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN CC1(C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000619146595 358004093 /nfs/dbraw/zinc/00/40/93/358004093.db2.gz CMFFNDDEXPBOBI-UHFFFAOYSA-N 0 0 248.282 2.006 20 5 BEBDRN CC[C@@H](C)[C@@H](C)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001641159749 1172231449 /nfs/dbraw/zinc/23/14/49/1172231449.db2.gz FAHUHGAVUYOAQZ-RNFRBKRXSA-N 0 0 242.235 2.307 20 5 BEBDRN C[C@H]1[C@@H](C)N(c2ccc([N+](=O)[O-])nc2)C[C@H]1C ZINC000584519878 358030116 /nfs/dbraw/zinc/03/01/16/358030116.db2.gz LIEBPVUPWHGHDK-OPRDCNLKSA-N 0 0 235.287 2.471 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1CCC2(CCC2)C1 ZINC000610716568 358099911 /nfs/dbraw/zinc/09/99/11/358099911.db2.gz AWVYVLIXQAMYOG-UHFFFAOYSA-N 0 0 233.271 2.370 20 5 BEBDRN Cc1cc(N2CC[C@@H]2C2CC2)ncc1[N+](=O)[O-] ZINC000450648029 202224889 /nfs/dbraw/zinc/22/48/89/202224889.db2.gz VNGGDNJHWLJWHY-SNVBAGLBSA-N 0 0 233.271 2.287 20 5 BEBDRN CC1(C)C[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000227527023 534919228 /nfs/dbraw/zinc/91/92/28/534919228.db2.gz KETCJCLOPHMEOK-QMMMGPOBSA-N 0 0 221.260 2.448 20 5 BEBDRN Cc1ccc(COc2cncnc2)cc1[N+](=O)[O-] ZINC001641470334 1172253498 /nfs/dbraw/zinc/25/34/98/1172253498.db2.gz PHDHHMGZPDAJBL-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN O=[N+]([O-])c1ncn(C[C@@H]2CCCCC2(F)F)n1 ZINC000450809963 202272034 /nfs/dbraw/zinc/27/20/34/202272034.db2.gz LLJRTDGDCYYVGD-ZETCQYMHSA-N 0 0 246.217 2.012 20 5 BEBDRN CC(C)[C@@H]1C[C@H]1CNc1ccncc1[N+](=O)[O-] ZINC000450812676 202273634 /nfs/dbraw/zinc/27/36/34/202273634.db2.gz QLIYUBJKAAWULQ-UWVGGRQHSA-N 0 0 235.287 2.116 20 5 BEBDRN Cc1nc(NC2(C3(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000450886705 202298591 /nfs/dbraw/zinc/29/85/91/202298591.db2.gz WWQGXFRQGLZYRO-UHFFFAOYSA-N 0 0 248.286 2.438 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2C[C@H]2C2CC2)cn1 ZINC000450924891 202309750 /nfs/dbraw/zinc/30/97/50/202309750.db2.gz HICOLKQGCUEZGL-ONGXEEELSA-N 0 0 233.271 2.448 20 5 BEBDRN O=[N+]([O-])c1ccn(CCSC2CCC2)n1 ZINC000450984233 202323648 /nfs/dbraw/zinc/32/36/48/202323648.db2.gz CMLPBLHQNVKBLL-UHFFFAOYSA-N 0 0 227.289 2.077 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H]3C2)cn1 ZINC000578494862 366579357 /nfs/dbraw/zinc/57/93/57/366579357.db2.gz RCFWIOMVTDRGFQ-NXEZZACHSA-N 0 0 233.271 2.226 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](F)C1 ZINC000451189308 202373044 /nfs/dbraw/zinc/37/30/44/202373044.db2.gz OZGGXJVSFOAHKP-MRVPVSSYSA-N 0 0 242.225 2.278 20 5 BEBDRN C=CC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000036334731 360925660 /nfs/dbraw/zinc/92/56/60/360925660.db2.gz YLSHVPWXAJDXMW-UHFFFAOYSA-N 0 0 206.201 2.028 20 5 BEBDRN CCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000037023340 361593361 /nfs/dbraw/zinc/59/33/61/361593361.db2.gz SEUYHSSMHJLRIH-UHFFFAOYSA-N 0 0 242.662 2.340 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CCCCCF ZINC000436473718 201329859 /nfs/dbraw/zinc/32/98/59/201329859.db2.gz LEXBDVGDBAGPPX-UHFFFAOYSA-N 0 0 242.250 2.205 20 5 BEBDRN CC(C)OCCCNc1ncc([N+](=O)[O-])s1 ZINC000195505386 361699081 /nfs/dbraw/zinc/69/90/81/361699081.db2.gz CKRGQPLZLOJVGT-UHFFFAOYSA-N 0 0 245.304 2.278 20 5 BEBDRN O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CCC1 ZINC000436258853 201317715 /nfs/dbraw/zinc/31/77/15/201317715.db2.gz CLXVVQKWXPDIMS-UHFFFAOYSA-N 0 0 247.176 2.219 20 5 BEBDRN O=[N+]([O-])c1ccc(CNc2ncccn2)c(F)c1 ZINC000438238716 201398302 /nfs/dbraw/zinc/39/83/02/201398302.db2.gz WOWVPSXXXRPNBB-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1Nc1ccccc1 ZINC001641969911 1172311930 /nfs/dbraw/zinc/31/19/30/1172311930.db2.gz JBMUJSIMXBBQDB-UHFFFAOYSA-N 0 0 218.216 2.072 20 5 BEBDRN CC1(C)CN(c2ccsc2[N+](=O)[O-])CCO1 ZINC000067912438 370722620 /nfs/dbraw/zinc/72/26/20/370722620.db2.gz RJCIKYTULUAQSP-UHFFFAOYSA-N 0 0 242.300 2.272 20 5 BEBDRN CC(C)CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669428 364458805 /nfs/dbraw/zinc/45/88/05/364458805.db2.gz MPMIQYFCHBLYRH-UHFFFAOYSA-N 0 0 240.234 2.120 20 5 BEBDRN CC[C@H](O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000037695029 364525611 /nfs/dbraw/zinc/52/56/11/364525611.db2.gz ZHIJMDYWCRQDRW-QMMMGPOBSA-N 0 0 245.662 2.398 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1S[C@H]1CCOC1 ZINC000579544080 366857237 /nfs/dbraw/zinc/85/72/37/366857237.db2.gz APTLZYDCWIZTIF-VIFPVBQESA-N 0 0 240.284 2.179 20 5 BEBDRN CC1(C)CN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000619147500 364728231 /nfs/dbraw/zinc/72/82/31/364728231.db2.gz ZBJKCMLVOXOCHJ-UHFFFAOYSA-N 0 0 248.282 2.006 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2(CF)CCC2)c(F)c1 ZINC000573717680 364901036 /nfs/dbraw/zinc/90/10/36/364901036.db2.gz FNONMEXICVMHSK-UHFFFAOYSA-N 0 0 243.213 2.433 20 5 BEBDRN CCN(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000575105747 365199190 /nfs/dbraw/zinc/19/91/90/365199190.db2.gz UWFPONYNKHWFAU-VIFPVBQESA-N 0 0 236.271 2.177 20 5 BEBDRN CO[C@H](C)CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000443516592 193023134 /nfs/dbraw/zinc/02/31/34/193023134.db2.gz GMYCWKVDKXVUMY-SECBINFHSA-N 0 0 239.275 2.053 20 5 BEBDRN CN(Cc1ccoc1)c1ncc([N+](=O)[O-])s1 ZINC000443516892 193023348 /nfs/dbraw/zinc/02/33/48/193023348.db2.gz OCZLYAVWLUXTQU-UHFFFAOYSA-N 0 0 239.256 2.281 20 5 BEBDRN CC(C)CN(C)c1ncc([N+](=O)[O-])s1 ZINC000443507740 193024030 /nfs/dbraw/zinc/02/40/30/193024030.db2.gz HBHAWVBTNKZQAA-UHFFFAOYSA-N 0 0 215.278 2.144 20 5 BEBDRN COC[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000193890405 367224195 /nfs/dbraw/zinc/22/41/95/367224195.db2.gz UFMUGHHTZOHDRV-SNVBAGLBSA-N 0 0 238.287 2.062 20 5 BEBDRN Cc1nccn1CCOc1ccccc1[N+](=O)[O-] ZINC000194117008 367249311 /nfs/dbraw/zinc/24/93/11/367249311.db2.gz WAXQHTCXKNTUEJ-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[C@H](F)C1 ZINC000581817565 367831712 /nfs/dbraw/zinc/83/17/12/367831712.db2.gz NKRVLEUPZJWIED-JGVFFNPUSA-N 0 0 242.254 2.021 20 5 BEBDRN CC[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ncc[nH]1 ZINC000139766692 367996788 /nfs/dbraw/zinc/99/67/88/367996788.db2.gz VUACLJISVMMXPL-VIFPVBQESA-N 0 0 247.258 2.276 20 5 BEBDRN Cc1ccnc(Sc2ncco2)c1[N+](=O)[O-] ZINC000444871259 201639329 /nfs/dbraw/zinc/63/93/29/201639329.db2.gz KBXFQLWGJZUJHK-UHFFFAOYSA-N 0 0 237.240 2.437 20 5 BEBDRN O=[N+]([O-])c1ccc(Sc2ncco2)nc1 ZINC000444878312 201640103 /nfs/dbraw/zinc/64/01/03/201640103.db2.gz WJDYVLYSQMRAGA-UHFFFAOYSA-N 0 0 223.213 2.129 20 5 BEBDRN CC1(C)[C@@H]2CN(c3ccc([N+](=O)[O-])nc3)C[C@@H]21 ZINC000078411841 368379168 /nfs/dbraw/zinc/37/91/68/368379168.db2.gz JNXUGZAKJDOVTN-AOOOYVTPSA-N 0 0 233.271 2.082 20 5 BEBDRN O=[N+]([O-])c1ccccc1OCc1ccno1 ZINC000060751546 368552014 /nfs/dbraw/zinc/55/20/14/368552014.db2.gz YYIOLKXOIKMWOQ-UHFFFAOYSA-N 0 0 220.184 2.162 20 5 BEBDRN CCCN(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000063602455 368589313 /nfs/dbraw/zinc/58/93/13/368589313.db2.gz AAOSSLNCIIPOBA-BQYQJAHWSA-N 0 0 248.282 2.476 20 5 BEBDRN CCCN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000063601885 368590021 /nfs/dbraw/zinc/59/00/21/368590021.db2.gz VWPHEPSOYISNOX-UHFFFAOYSA-N 0 0 242.300 2.447 20 5 BEBDRN COc1ccc(Oc2ncccn2)c([N+](=O)[O-])c1 ZINC000069295063 368749505 /nfs/dbraw/zinc/74/95/05/368749505.db2.gz FVOVSRSMVYIFJF-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN CC[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H]1C ZINC001642596447 1172375916 /nfs/dbraw/zinc/37/59/16/1172375916.db2.gz KUGFDPMMGIGAPY-BDAKNGLRSA-N 0 0 236.275 2.010 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CC[C@@H]3C[C@@H]3C2)nc1 ZINC000403219661 369397841 /nfs/dbraw/zinc/39/78/41/369397841.db2.gz KINXUPGYPDERAV-MXWKQRLJSA-N 0 0 247.298 2.260 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](CO)C(C)C)c1 ZINC000094659805 369492555 /nfs/dbraw/zinc/49/25/55/369492555.db2.gz MRKWGKXVTYWZRI-NSHDSACASA-N 0 0 238.287 2.332 20 5 BEBDRN COCCCNc1ccsc1[N+](=O)[O-] ZINC000063256030 370144479 /nfs/dbraw/zinc/14/44/79/370144479.db2.gz DDTBQGSIOBMBSF-UHFFFAOYSA-N 0 0 216.262 2.105 20 5 BEBDRN C[C@@](O)(CNc1sccc1[N+](=O)[O-])C1CC1 ZINC000309947074 370277288 /nfs/dbraw/zinc/27/72/88/370277288.db2.gz DSYHTJOIRPWGJN-SNVBAGLBSA-N 0 0 242.300 2.229 20 5 BEBDRN COCCCNc1c(OC)cccc1[N+](=O)[O-] ZINC000568325140 326344914 /nfs/dbraw/zinc/34/49/14/326344914.db2.gz OPWYWVZMBKCVIL-UHFFFAOYSA-N 0 0 240.259 2.052 20 5 BEBDRN CC1(C)CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000078561753 370574653 /nfs/dbraw/zinc/57/46/53/370574653.db2.gz SLWQCFQHHMDAAV-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@@H]3CCC[C@@H]32)s1 ZINC000619697428 370582266 /nfs/dbraw/zinc/58/22/66/370582266.db2.gz CDQXHKRZJWHJDW-YUMQZZPRSA-N 0 0 239.300 2.430 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@H]3CCC[C@@H]32)s1 ZINC000619697427 370582273 /nfs/dbraw/zinc/58/22/73/370582273.db2.gz CDQXHKRZJWHJDW-SFYZADRCSA-N 0 0 239.300 2.430 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@H]3CCC[C@H]32)s1 ZINC000619697425 370582408 /nfs/dbraw/zinc/58/24/08/370582408.db2.gz CDQXHKRZJWHJDW-HTQZYQBOSA-N 0 0 239.300 2.430 20 5 BEBDRN CC(C)OC(=O)c1csc([N+](=O)[O-])c1 ZINC000070287220 371021687 /nfs/dbraw/zinc/02/16/87/371021687.db2.gz DPBIKUAGOZIWIC-UHFFFAOYSA-N 0 0 215.230 2.222 20 5 BEBDRN CC(F)(F)CNc1ncccc1[N+](=O)[O-] ZINC000378855185 371023606 /nfs/dbraw/zinc/02/36/06/371023606.db2.gz JOBYWZDLVOOUQR-UHFFFAOYSA-N 0 0 217.175 2.057 20 5 BEBDRN CC[C@@H](O)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000123418333 371070143 /nfs/dbraw/zinc/07/01/43/371070143.db2.gz MXSGGLDTSDPHSZ-MRVPVSSYSA-N 0 0 244.678 2.431 20 5 BEBDRN O=C(Nc1cc([N+](=O)[O-])ccc1[O-])C1=CCCC1 ZINC000092547462 371104871 /nfs/dbraw/zinc/10/48/71/371104871.db2.gz STTVZJUSHNUNEB-UHFFFAOYSA-N 0 0 248.238 2.349 20 5 BEBDRN C[C@@H](CO)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000302715726 371593698 /nfs/dbraw/zinc/59/36/98/371593698.db2.gz ZFRBWCQJQAKADS-LURJTMIESA-N 0 0 246.213 2.325 20 5 BEBDRN C[C@@H]1C[C@H]1Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351141558 371610493 /nfs/dbraw/zinc/61/04/93/371610493.db2.gz CTBFDUPYNAFYOW-RQJHMYQMSA-N 0 0 249.226 2.436 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2noc(CC3CC3)n2)o1 ZINC000351142218 371610720 /nfs/dbraw/zinc/61/07/20/371610720.db2.gz DJXDWAGTJNBLII-UHFFFAOYSA-N 0 0 235.199 2.190 20 5 BEBDRN C[C@@H]1C[C@H]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000600527372 371680305 /nfs/dbraw/zinc/68/03/05/371680305.db2.gz OIYUWTGCJIRWAO-SFYZADRCSA-N 0 0 248.238 2.159 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000600521388 371681837 /nfs/dbraw/zinc/68/18/37/371681837.db2.gz PKPUCGNYUBUYKE-HBNTYKKESA-N 0 0 233.271 2.312 20 5 BEBDRN C/C=C/CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000600488890 371673139 /nfs/dbraw/zinc/67/31/39/371673139.db2.gz CHNZFLFHYUTKAC-ONEGZZNKSA-N 0 0 240.284 2.271 20 5 BEBDRN C/C=C/CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000600490373 371674891 /nfs/dbraw/zinc/67/48/91/371674891.db2.gz HOGAVVKFTPTVKG-ONEGZZNKSA-N 0 0 234.255 2.209 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(OCc2ccon2)n1 ZINC000351674515 371654866 /nfs/dbraw/zinc/65/48/66/371654866.db2.gz LOSUFXSOEHPJGZ-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN C[C@H](CC1CCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000601246166 371741248 /nfs/dbraw/zinc/74/12/48/371741248.db2.gz OJAFOMMYZUCUFB-MRVPVSSYSA-N 0 0 236.275 2.375 20 5 BEBDRN Cc1cc(C)c(Cn2cc([N+](=O)[O-])cn2)c(C)n1 ZINC000601075505 371725883 /nfs/dbraw/zinc/72/58/83/371725883.db2.gz QMOAJQLWSOSTQZ-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN COC(=O)[C@@H](C)Sc1ccsc1[N+](=O)[O-] ZINC000601100881 371728413 /nfs/dbraw/zinc/72/84/13/371728413.db2.gz DRSGHQKIHUACTN-RXMQYKEDSA-N 0 0 247.297 2.310 20 5 BEBDRN C[NH+](C)CCSc1ccsc1[N+](=O)[O-] ZINC000601127632 371728782 /nfs/dbraw/zinc/72/87/82/371728782.db2.gz LTTSYXHYTBEGSN-UHFFFAOYSA-N 0 0 232.330 2.310 20 5 BEBDRN CN(CCF)c1c(F)cccc1[N+](=O)[O-] ZINC000601169673 371732464 /nfs/dbraw/zinc/73/24/64/371732464.db2.gz OZIFJBPVJNUPAZ-UHFFFAOYSA-N 0 0 216.187 2.140 20 5 BEBDRN C[C@H](F)CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601168732 371732497 /nfs/dbraw/zinc/73/24/97/371732497.db2.gz AUMVCVJUKLEYET-LURJTMIESA-N 0 0 231.202 2.289 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N1CCC[C@H]2C[C@H]21 ZINC000601165708 371732542 /nfs/dbraw/zinc/73/25/42/371732542.db2.gz TVJPFBWPTXBRJH-IONNQARKSA-N 0 0 237.234 2.118 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N[C@@H]1C[C@H]1C1CC1 ZINC000601160266 371732670 /nfs/dbraw/zinc/73/26/70/371732670.db2.gz VRKQHSNTCAHAIU-DTWKUNHWSA-N 0 0 237.234 2.339 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N[C@H]1CC12CC2 ZINC000601179361 371733683 /nfs/dbraw/zinc/73/36/83/371733683.db2.gz RNPWCQBZACEBNL-QMMMGPOBSA-N 0 0 223.207 2.093 20 5 BEBDRN CC(C)(F)CNc1ncc([N+](=O)[O-])s1 ZINC000601206014 371736914 /nfs/dbraw/zinc/73/69/14/371736914.db2.gz MJHWOSWIZDXFLD-UHFFFAOYSA-N 0 0 219.241 2.211 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)C12CC(C1)C2 ZINC000602230250 371794305 /nfs/dbraw/zinc/79/43/05/371794305.db2.gz LMEDRLPMMBHWPG-UHFFFAOYSA-N 0 0 232.239 2.333 20 5 BEBDRN CC(C)(F)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000601687479 371762801 /nfs/dbraw/zinc/76/28/01/371762801.db2.gz CPJAFFSKOZRLMV-UHFFFAOYSA-N 0 0 246.263 2.134 20 5 BEBDRN CO[C@H](C)CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000304392578 371785359 /nfs/dbraw/zinc/78/53/59/371785359.db2.gz UFCQMHWTHOFVQV-ZCFIWIBFSA-N 0 0 245.666 2.090 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC=CC1 ZINC000602959623 371859461 /nfs/dbraw/zinc/85/94/61/371859461.db2.gz PPADKYGSJSDQGH-UHFFFAOYSA-N 0 0 247.254 2.307 20 5 BEBDRN Cc1nn(C[C@H]2C[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000603317743 371882513 /nfs/dbraw/zinc/88/25/13/371882513.db2.gz BXSUBXJOFREBLC-IONNQARKSA-N 0 0 246.270 2.304 20 5 BEBDRN CCCCn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000603329607 371884169 /nfs/dbraw/zinc/88/41/69/371884169.db2.gz XNJYMFBLPNZODE-UHFFFAOYSA-N 0 0 234.259 2.448 20 5 BEBDRN Cc1nn(CCCF)c2ncc([N+](=O)[O-])cc12 ZINC000603327605 371884408 /nfs/dbraw/zinc/88/44/08/371884408.db2.gz ODMYFQLZWPBDNW-UHFFFAOYSA-N 0 0 238.222 2.008 20 5 BEBDRN Cc1ccc(NC(=O)N2CC=CC2)cc1[N+](=O)[O-] ZINC000602756760 371838519 /nfs/dbraw/zinc/83/85/19/371838519.db2.gz PELLOJRJKYKVAO-UHFFFAOYSA-N 0 0 247.254 2.307 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCC1CSC1 ZINC000603414889 371892973 /nfs/dbraw/zinc/89/29/73/371892973.db2.gz XCYQWTJNTQNTAI-UHFFFAOYSA-N 0 0 224.285 2.370 20 5 BEBDRN CCOc1ccn(Cc2ccccc2[N+](=O)[O-])n1 ZINC000603424994 371893947 /nfs/dbraw/zinc/89/39/47/371893947.db2.gz TVDGUXRRFPKDRE-UHFFFAOYSA-N 0 0 247.254 2.238 20 5 BEBDRN CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)CC1 ZINC000603806035 371931245 /nfs/dbraw/zinc/93/12/45/371931245.db2.gz IIMLBXVQCVSKPY-UHFFFAOYSA-N 0 0 233.227 2.098 20 5 BEBDRN CC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603836892 371933026 /nfs/dbraw/zinc/93/30/26/371933026.db2.gz BVPHRQKUZXAKCT-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN C[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000603836993 371933060 /nfs/dbraw/zinc/93/30/60/371933060.db2.gz JHFBSPOCCSWTRG-VIFPVBQESA-N 0 0 221.260 2.226 20 5 BEBDRN CSC1(CNc2cccnc2[N+](=O)[O-])CC1 ZINC000227991374 371969545 /nfs/dbraw/zinc/96/95/45/371969545.db2.gz MBPLBGSERZKTQG-UHFFFAOYSA-N 0 0 239.300 2.297 20 5 BEBDRN C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000604396390 371974058 /nfs/dbraw/zinc/97/40/58/371974058.db2.gz ZLFFLTOECFKOQM-SECBINFHSA-N 0 0 248.282 2.371 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCC[C@H](C)O)c1 ZINC000134050681 372151307 /nfs/dbraw/zinc/15/13/07/372151307.db2.gz JXOMAHVVTDFCPB-VIFPVBQESA-N 0 0 225.244 2.053 20 5 BEBDRN Cc1nc(N[C@H](C)c2ncc[nH]2)ccc1[N+](=O)[O-] ZINC000139857147 372214566 /nfs/dbraw/zinc/21/45/66/372214566.db2.gz PJHFEDJOZGQYEA-MRVPVSSYSA-N 0 0 247.258 2.194 20 5 BEBDRN CC(C)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000038435326 372603393 /nfs/dbraw/zinc/60/33/93/372603393.db2.gz VCECKBPMQZXFJX-UHFFFAOYSA-N 0 0 209.201 2.156 20 5 BEBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCCC1CC1 ZINC000081004925 182038768 /nfs/dbraw/zinc/03/87/68/182038768.db2.gz MCZZNHXRAWCSLY-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN O=C(NC1CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298585265 182100401 /nfs/dbraw/zinc/10/04/01/182100401.db2.gz GPQOVPYPHAVEKR-UHFFFAOYSA-N 0 0 246.222 2.233 20 5 BEBDRN O=C(NC1CCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000336632423 182106949 /nfs/dbraw/zinc/10/69/49/182106949.db2.gz ZLEABRHFLXNOME-UHFFFAOYSA-N 0 0 238.218 2.016 20 5 BEBDRN O=C(NCC1CCC1)c1csc([N+](=O)[O-])c1 ZINC000044505183 182144873 /nfs/dbraw/zinc/14/48/73/182144873.db2.gz QPTWRLHIBZVTMG-UHFFFAOYSA-N 0 0 240.284 2.186 20 5 BEBDRN O=C(NCCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000081004832 182157049 /nfs/dbraw/zinc/15/70/49/182157049.db2.gz MVAILDHKAXMEPU-UHFFFAOYSA-N 0 0 234.255 2.125 20 5 BEBDRN O=C(NCCCCF)c1cccc([N+](=O)[O-])c1 ZINC000360516953 182164480 /nfs/dbraw/zinc/16/44/80/182164480.db2.gz INDYOTQQKDWHJM-UHFFFAOYSA-N 0 0 240.234 2.074 20 5 BEBDRN CC1(C)CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000173680163 373841537 /nfs/dbraw/zinc/84/15/37/373841537.db2.gz DRAFNGFFBVAJJA-UHFFFAOYSA-N 0 0 248.282 2.467 20 5 BEBDRN O=C(CC1CCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000173872086 374110011 /nfs/dbraw/zinc/11/00/11/374110011.db2.gz STUIVZZZDXCBLC-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)C1CC=CC1 ZINC000077738179 182251878 /nfs/dbraw/zinc/25/18/78/182251878.db2.gz ZUNXHYPQAOUFMP-UHFFFAOYSA-N 0 0 246.266 2.177 20 5 BEBDRN CCCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000151483988 168861455 /nfs/dbraw/zinc/86/14/55/168861455.db2.gz VJAITHIHLJEATC-UHFFFAOYSA-N 0 0 236.271 2.433 20 5 BEBDRN O=C(N[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000172492432 182327184 /nfs/dbraw/zinc/32/71/84/182327184.db2.gz WNFRKGOXEPASIY-NSHDSACASA-N 0 0 246.266 2.433 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NCCCCCO ZINC000228726518 182924445 /nfs/dbraw/zinc/92/44/45/182924445.db2.gz ZHXZTOGHRFFOAG-UHFFFAOYSA-N 0 0 242.250 2.308 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CC[C@H](O)C2)cc1 ZINC000236567231 182936523 /nfs/dbraw/zinc/93/65/23/182936523.db2.gz UCAPOHMTTOTNEV-SKDRFNHKSA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCOC2)c(F)c1 ZINC000037988089 182936617 /nfs/dbraw/zinc/93/66/17/182936617.db2.gz BBXIXBMZLSYMIO-MRVPVSSYSA-N 0 0 240.234 2.182 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCOC2)cc1 ZINC000035255717 182936633 /nfs/dbraw/zinc/93/66/33/182936633.db2.gz VXDPQLCGANAPBM-SECBINFHSA-N 0 0 222.244 2.043 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CCC2)c([N+](=O)[O-])c1 ZINC000052211553 182935241 /nfs/dbraw/zinc/93/52/41/182935241.db2.gz WRNSKAYSBTWDHU-UHFFFAOYSA-N 0 0 237.215 2.467 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000156670461 182950801 /nfs/dbraw/zinc/95/08/01/182950801.db2.gz IIQZRZARRXHHPB-UISBYWKRSA-N 0 0 234.255 2.327 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CC2(C1)CCCC2 ZINC000365051437 182951941 /nfs/dbraw/zinc/95/19/41/182951941.db2.gz HIWIVOZJTJJNAD-UHFFFAOYSA-N 0 0 233.271 2.370 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCCCCCO ZINC000302795262 182956392 /nfs/dbraw/zinc/95/63/92/182956392.db2.gz JUOZNDDTWFRQOV-UHFFFAOYSA-N 0 0 230.289 2.231 20 5 BEBDRN O=[N+]([O-])c1cn(C[C@H]2CCC(F)(F)C2)cn1 ZINC000336276464 182956508 /nfs/dbraw/zinc/95/65/08/182956508.db2.gz QLIIPEUCNRRVQK-ZETCQYMHSA-N 0 0 231.202 2.227 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1CCC1CCCC1 ZINC000125754921 183000809 /nfs/dbraw/zinc/00/08/09/183000809.db2.gz QEFNIAAHDYYLSL-UHFFFAOYSA-N 0 0 236.271 2.337 20 5 BEBDRN CCCN(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000299465214 169053202 /nfs/dbraw/zinc/05/32/02/169053202.db2.gz ZOQAFNZRMXJQGB-UHFFFAOYSA-N 0 0 236.271 2.006 20 5 BEBDRN CCCN(CC)c1ccc([N+](=O)[O-])cn1 ZINC000267105167 169133473 /nfs/dbraw/zinc/13/34/73/169133473.db2.gz QAOJKJAJOMHJFE-UHFFFAOYSA-N 0 0 209.249 2.226 20 5 BEBDRN CCCN(CC)c1ccc([N+](=O)[O-])nc1 ZINC000357503556 169133866 /nfs/dbraw/zinc/13/38/66/169133866.db2.gz NHNLVJLETOWGPU-UHFFFAOYSA-N 0 0 209.249 2.226 20 5 BEBDRN CCCN(c1ncccc1[N+](=O)[O-])C1CC1 ZINC000272539401 169183414 /nfs/dbraw/zinc/18/34/14/169183414.db2.gz PTTNTMPZMOXWCL-UHFFFAOYSA-N 0 0 221.260 2.369 20 5 BEBDRN CCCN(c1ncc([N+](=O)[O-])c(C)n1)C1CC1 ZINC000295063031 169183826 /nfs/dbraw/zinc/18/38/26/169183826.db2.gz POBIVYYGQGMTMI-UHFFFAOYSA-N 0 0 236.275 2.072 20 5 BEBDRN CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000357587915 169250648 /nfs/dbraw/zinc/25/06/48/169250648.db2.gz KERYQVOYJQRJDH-UHFFFAOYSA-N 0 0 248.238 2.481 20 5 BEBDRN CCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048298408 169250953 /nfs/dbraw/zinc/25/09/53/169250953.db2.gz JZPGBQFBYJINOE-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1cnc(NCC2=CCCOC2)c([N+](=O)[O-])c1 ZINC000288579997 383913288 /nfs/dbraw/zinc/91/32/88/383913288.db2.gz ROCQUDBNWGASDM-UHFFFAOYSA-N 0 0 249.270 2.057 20 5 BEBDRN Cc1ccc(OCC(=O)C2CC2)c([N+](=O)[O-])c1 ZINC000068044484 383969360 /nfs/dbraw/zinc/96/93/60/383969360.db2.gz QYTMZKQACNQCPS-UHFFFAOYSA-N 0 0 235.239 2.261 20 5 BEBDRN C[C@H](C[C@H](C)O)Nc1c(F)cccc1[N+](=O)[O-] ZINC000310189816 384007665 /nfs/dbraw/zinc/00/76/65/384007665.db2.gz XMHKKOUGZJVCFZ-SFYZADRCSA-N 0 0 242.250 2.305 20 5 BEBDRN CCN(C)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000335020620 384010622 /nfs/dbraw/zinc/01/06/22/384010622.db2.gz HAHPYNBUIGGUJK-UHFFFAOYSA-N 0 0 236.271 2.304 20 5 BEBDRN Cc1n[nH]cc1Nc1nccc(C)c1[N+](=O)[O-] ZINC000360266615 384014853 /nfs/dbraw/zinc/01/48/53/384014853.db2.gz RGJQWIMPXAXKKO-UHFFFAOYSA-N 0 0 233.231 2.073 20 5 BEBDRN CN(Cc1ccc([N+](=O)[O-])cc1F)CC(F)F ZINC000310259952 384082274 /nfs/dbraw/zinc/08/22/74/384082274.db2.gz HKPFNAUMYKVAMJ-UHFFFAOYSA-N 0 0 248.204 2.431 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000268261301 384151835 /nfs/dbraw/zinc/15/18/35/384151835.db2.gz RKPBMYLHWHQJKT-AOOOYVTPSA-N 0 0 233.271 2.226 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2(CO)CC2)c(Cl)c1 ZINC000157511656 384173035 /nfs/dbraw/zinc/17/30/35/384173035.db2.gz DJHBOXVJDGZJEN-UHFFFAOYSA-N 0 0 242.662 2.185 20 5 BEBDRN CN(C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])s1 ZINC000610515303 384175262 /nfs/dbraw/zinc/17/52/62/384175262.db2.gz GZHZUJQCQFJJIT-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN O=[N+]([O-])c1ccccc1/C=C\CNCC(F)F ZINC000362310256 384191645 /nfs/dbraw/zinc/19/16/45/384191645.db2.gz YIEUBWASTNKBCT-HYXAFXHYSA-N 0 0 242.225 2.463 20 5 BEBDRN C[C@H](O)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000228000433 134399246 /nfs/dbraw/zinc/39/92/46/134399246.db2.gz LAAJGYDVVRKDLF-QMMMGPOBSA-N 0 0 242.250 2.307 20 5 BEBDRN O=[N+]([O-])c1cn(CC2=CCCCC2)cn1 ZINC000336276135 384198238 /nfs/dbraw/zinc/19/82/38/384198238.db2.gz HJRCHCRQHKKHEL-UHFFFAOYSA-N 0 0 207.233 2.292 20 5 BEBDRN Cc1ccnc(N[C@@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000070062796 384217399 /nfs/dbraw/zinc/21/73/99/384217399.db2.gz TZEYEVCUEVZBNX-HTQZYQBOSA-N 0 0 207.233 2.119 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CC(F)(F)C2)cn1 ZINC000336686793 384248028 /nfs/dbraw/zinc/24/80/28/384248028.db2.gz TVJYDWNGZDZTIK-UHFFFAOYSA-N 0 0 229.186 2.199 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCCCCF ZINC000336697978 384254349 /nfs/dbraw/zinc/25/43/49/384254349.db2.gz ONFPXNSMNJDDTE-UHFFFAOYSA-N 0 0 213.212 2.151 20 5 BEBDRN C[C@H](CF)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000336755415 384267736 /nfs/dbraw/zinc/26/77/36/384267736.db2.gz IVHHZFUOXMFIHX-RXMQYKEDSA-N 0 0 233.630 2.413 20 5 BEBDRN Cc1cnc(N[C@@H](C)c2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000229871376 384273912 /nfs/dbraw/zinc/27/39/12/384273912.db2.gz SAPKAMWFAKAPKT-QMMMGPOBSA-N 0 0 247.258 2.194 20 5 BEBDRN CON(CC(C)(C)C)c1ccc([N+](=O)[O-])cn1 ZINC000286349012 384275724 /nfs/dbraw/zinc/27/57/24/384275724.db2.gz LJMKWRMYTIRJAI-UHFFFAOYSA-N 0 0 239.275 2.404 20 5 BEBDRN CO[C@@H](C)CN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000286417895 384315793 /nfs/dbraw/zinc/31/57/93/384315793.db2.gz OJMRZYGYUIVRQG-QMMMGPOBSA-N 0 0 242.250 2.205 20 5 BEBDRN CCN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000131867294 384279566 /nfs/dbraw/zinc/27/95/66/384279566.db2.gz RVXUNDYGQDBGKD-UHFFFAOYSA-N 0 0 242.662 2.340 20 5 BEBDRN O=c1c([N+](=O)[O-])cccn1CCC1CCCC1 ZINC000126607667 384287247 /nfs/dbraw/zinc/28/72/47/384287247.db2.gz CPIDCHCFPPLAPA-UHFFFAOYSA-N 0 0 236.271 2.337 20 5 BEBDRN CC/C=C\CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000394996613 384349751 /nfs/dbraw/zinc/34/97/51/384349751.db2.gz DOYRZFFWGIKGPI-ARJAWSKDSA-N 0 0 249.270 2.072 20 5 BEBDRN C[C@@H]1C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000335770719 384374375 /nfs/dbraw/zinc/37/43/75/384374375.db2.gz NFUUVLOOEAUATD-DTORHVGOSA-N 0 0 234.255 2.218 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(NCCC2(O)CC2)c1 ZINC000359623660 384409638 /nfs/dbraw/zinc/40/96/38/384409638.db2.gz VTFFVCWGGSTFCY-UHFFFAOYSA-N 0 0 240.234 2.061 20 5 BEBDRN C[C@H](O)CN(C)c1c(Cl)cccc1[N+](=O)[O-] ZINC000235550132 384434858 /nfs/dbraw/zinc/43/48/58/384434858.db2.gz CUDYFYAXHQIIPW-ZETCQYMHSA-N 0 0 244.678 2.065 20 5 BEBDRN CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070187266 384469486 /nfs/dbraw/zinc/46/94/86/384469486.db2.gz IQUMAUNUMCGWMI-UHFFFAOYSA-N 0 0 242.662 2.340 20 5 BEBDRN Cc1c(OCc2ncccn2)cccc1[N+](=O)[O-] ZINC000187902464 384495662 /nfs/dbraw/zinc/49/56/62/384495662.db2.gz YWJUFHXZKVDRKZ-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN O=[N+]([O-])c1cnc(NCc2cccnc2)s1 ZINC000083363118 384503292 /nfs/dbraw/zinc/50/32/92/384503292.db2.gz JCHVGQLODRAKGM-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN Cc1cn(CCCCCF)nc1[N+](=O)[O-] ZINC000340597347 384512446 /nfs/dbraw/zinc/51/24/46/384512446.db2.gz QUBIRYLYDVQVNR-UHFFFAOYSA-N 0 0 215.228 2.240 20 5 BEBDRN C[C@H](NC(=O)NC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000049269268 384526212 /nfs/dbraw/zinc/52/62/12/384526212.db2.gz HXGFMLZKJLBEMN-QMMMGPOBSA-N 0 0 249.270 2.117 20 5 BEBDRN COC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000020474747 384600836 /nfs/dbraw/zinc/60/08/36/384600836.db2.gz AKFLEACJLHMLMQ-SSDOTTSWSA-N 0 0 228.223 2.181 20 5 BEBDRN CN(CCc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000103488077 384634538 /nfs/dbraw/zinc/63/45/38/384634538.db2.gz UPNMZPKANYATCV-UHFFFAOYSA-N 0 0 244.241 2.334 20 5 BEBDRN COC[C@H](C)CNc1ccc([N+](=O)[O-])cc1 ZINC000044477492 384652688 /nfs/dbraw/zinc/65/26/88/384652688.db2.gz CXTBRHNTEQBZRH-SECBINFHSA-N 0 0 224.260 2.289 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2[C@@H]3CCC[C@@H]32)nc1 ZINC000309504208 384760674 /nfs/dbraw/zinc/76/06/74/384760674.db2.gz MMERZPMHLPDHAB-JZYVYDRUSA-N 0 0 219.244 2.200 20 5 BEBDRN CC[C@H](Nc1ncc([N+](=O)[O-])c(C)n1)C(F)F ZINC000450571276 384825722 /nfs/dbraw/zinc/82/57/22/384825722.db2.gz ZAMMHXJARVFLDH-LURJTMIESA-N 0 0 246.217 2.149 20 5 BEBDRN CC[C@H](O)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000123425286 384830837 /nfs/dbraw/zinc/83/08/37/384830837.db2.gz LQUUBSGXFFWOJE-JTQLQIEISA-N 0 0 224.260 2.086 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCCCCO)cc1 ZINC000147209781 384831311 /nfs/dbraw/zinc/83/13/11/384831311.db2.gz PXDWOTJJVPAMQH-UHFFFAOYSA-N 0 0 224.260 2.169 20 5 BEBDRN CO[C@@H](C)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000181040297 384889642 /nfs/dbraw/zinc/88/96/42/384889642.db2.gz FXOBKRHCLQJYNV-VIFPVBQESA-N 0 0 225.244 2.317 20 5 BEBDRN CC1(C)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000531086057 384879333 /nfs/dbraw/zinc/87/93/33/384879333.db2.gz INWRCHOCEXBELF-UHFFFAOYSA-N 0 0 248.282 2.148 20 5 BEBDRN CCOC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000105661456 384880592 /nfs/dbraw/zinc/88/05/92/384880592.db2.gz HAFQHPHGUHVBGV-UHFFFAOYSA-N 0 0 241.268 2.493 20 5 BEBDRN Cc1cc(C)cc(Cn2nccc2[N+](=O)[O-])c1 ZINC000119730859 384882448 /nfs/dbraw/zinc/88/24/48/384882448.db2.gz IAABWAPUYGKHBY-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@H]1C[C@@H]1C1CC1 ZINC000309519184 384848691 /nfs/dbraw/zinc/84/86/91/384848691.db2.gz STXOECNRHMSFHA-RKDXNWHRSA-N 0 0 219.244 2.200 20 5 BEBDRN COc1cc(C(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000101704957 384850409 /nfs/dbraw/zinc/85/04/09/384850409.db2.gz HGSMWJCCCOLBAC-UHFFFAOYSA-N 0 0 239.227 2.169 20 5 BEBDRN O=[N+]([O-])c1sc(NC2CC2)nc1NC1CC1 ZINC000309515640 384851244 /nfs/dbraw/zinc/85/12/44/384851244.db2.gz RIYJKOHKUDNGBE-UHFFFAOYSA-N 0 0 240.288 2.200 20 5 BEBDRN C[C@@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000147763273 384856624 /nfs/dbraw/zinc/85/66/24/384856624.db2.gz CWCNMNOQYDRTST-XVKPBYJWSA-N 0 0 240.234 2.323 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H](O)C2CC2)c1 ZINC000084726569 384865299 /nfs/dbraw/zinc/86/52/99/384865299.db2.gz RFEZXKQTQBYYKR-GFCCVEGCSA-N 0 0 236.271 2.086 20 5 BEBDRN Cc1cc(=O)n([C@H]2C=CCCC2)cc1[N+](=O)[O-] ZINC000177796176 384910920 /nfs/dbraw/zinc/91/09/20/384910920.db2.gz OSLVINUSDTTWBC-JTQLQIEISA-N 0 0 234.255 2.346 20 5 BEBDRN C[C@H](CO)CSc1ccc([N+](=O)[O-])cc1F ZINC000085016383 385015032 /nfs/dbraw/zinc/01/50/32/385015032.db2.gz QVTTUOXJWLZHJV-SSDOTTSWSA-N 0 0 245.275 2.454 20 5 BEBDRN Cc1cnn(Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000310391657 385055997 /nfs/dbraw/zinc/05/59/97/385055997.db2.gz DTIFRTWRISRJAN-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN Cc1cnc(OCOC2CCC2)c([N+](=O)[O-])c1 ZINC000289732547 385041524 /nfs/dbraw/zinc/04/15/24/385041524.db2.gz SUDXFUSYYAZFDL-UHFFFAOYSA-N 0 0 238.243 2.204 20 5 BEBDRN CN(c1ncc([N+](=O)[O-])s1)[C@H]1CC1(C)C ZINC000336981534 385106043 /nfs/dbraw/zinc/10/60/43/385106043.db2.gz DJUKICDHSNZPQI-LURJTMIESA-N 0 0 227.289 2.286 20 5 BEBDRN Cc1cnc(CNc2ncc(C)cc2[N+](=O)[O-])o1 ZINC000176944032 385183364 /nfs/dbraw/zinc/18/33/64/385183364.db2.gz MBDQODJOMSXHON-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC[C@@H](CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000034342877 385157950 /nfs/dbraw/zinc/15/79/50/385157950.db2.gz UBUAUPOMEXLEGO-QMMMGPOBSA-N 0 0 244.678 2.431 20 5 BEBDRN CC(=O)c1nc(-c2cc([N+](=O)[O-])c[nH]2)cs1 ZINC000352306618 385158454 /nfs/dbraw/zinc/15/84/54/385158454.db2.gz OIJVRBXEHNJLHU-UHFFFAOYSA-N 0 0 237.240 2.249 20 5 BEBDRN CO[C@@H](Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000282728910 385167365 /nfs/dbraw/zinc/16/73/65/385167365.db2.gz XEBARXGAZITBMP-LBPRGKRZSA-N 0 0 247.254 2.179 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCCOC2)c(F)c1 ZINC000109548490 385174788 /nfs/dbraw/zinc/17/47/88/385174788.db2.gz WCIKSPNCCQPSKJ-MRVPVSSYSA-N 0 0 240.234 2.325 20 5 BEBDRN C[C@H](CCCO)Nc1c(F)cccc1[N+](=O)[O-] ZINC000287785214 385235202 /nfs/dbraw/zinc/23/52/02/385235202.db2.gz IUQOFUXABGRIQD-MRVPVSSYSA-N 0 0 242.250 2.307 20 5 BEBDRN CCSCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000338563539 385254973 /nfs/dbraw/zinc/25/49/73/385254973.db2.gz ZKMTXOWHAYDIRP-UHFFFAOYSA-N 0 0 227.289 2.379 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCCC1(CO)CC1 ZINC000395866432 385262649 /nfs/dbraw/zinc/26/26/49/385262649.db2.gz HFNJPMNHYVBLNE-UHFFFAOYSA-N 0 0 236.271 2.169 20 5 BEBDRN C[C@H](CF)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000288133755 385270858 /nfs/dbraw/zinc/27/08/58/385270858.db2.gz FCGWAUDIHPFRNL-RXMQYKEDSA-N 0 0 233.630 2.413 20 5 BEBDRN C[C@@H](CF)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000288115150 385272264 /nfs/dbraw/zinc/27/22/64/385272264.db2.gz CFYGVOSYNIDRNT-LURJTMIESA-N 0 0 243.194 2.273 20 5 BEBDRN CS[C@@H](C)CNc1ncc([N+](=O)[O-])s1 ZINC000189689844 385281073 /nfs/dbraw/zinc/28/10/73/385281073.db2.gz DNTQKQMFOVWAQL-YFKPBYRVSA-N 0 0 233.318 2.215 20 5 BEBDRN CSC[C@@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189689979 385281581 /nfs/dbraw/zinc/28/15/81/385281581.db2.gz MXCSWXITBFMGOA-RXMQYKEDSA-N 0 0 233.318 2.215 20 5 BEBDRN CC/C=C\CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000452612601 385346389 /nfs/dbraw/zinc/34/63/89/385346389.db2.gz LCPAQGVUCOHBNG-ARJAWSKDSA-N 0 0 240.284 2.352 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NOCC(C)(C)O)c1 ZINC000290509793 385464646 /nfs/dbraw/zinc/46/46/46/385464646.db2.gz AQNQFZRFUVVYTP-UHFFFAOYSA-N 0 0 240.259 2.018 20 5 BEBDRN CN(CC1CCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000110471307 385493459 /nfs/dbraw/zinc/49/34/59/385493459.db2.gz PJNGJMVQLKZYSW-UHFFFAOYSA-N 0 0 238.243 2.060 20 5 BEBDRN CC[C@H](CNc1ccccc1[N+](=O)[O-])OC ZINC000290711576 385570567 /nfs/dbraw/zinc/57/05/67/385570567.db2.gz OIMDTTLIOVIRGU-SECBINFHSA-N 0 0 224.260 2.432 20 5 BEBDRN CO[C@@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000229376770 385606456 /nfs/dbraw/zinc/60/64/56/385606456.db2.gz YPAVBSAEWYGHNH-BDAKNGLRSA-N 0 0 224.260 2.430 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCCC2)n1 ZINC000408171552 385602863 /nfs/dbraw/zinc/60/28/63/385602863.db2.gz KVOWKVONITZQSY-UHFFFAOYSA-N 0 0 221.260 2.207 20 5 BEBDRN Cc1cc(N[C@@H]2CO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000401948156 385588661 /nfs/dbraw/zinc/58/86/61/385588661.db2.gz SJCIDQZJDJRDLO-ONGXEEELSA-N 0 0 236.271 2.493 20 5 BEBDRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC1 ZINC000264588600 385620731 /nfs/dbraw/zinc/62/07/31/385620731.db2.gz AUUOOFAIWNYYCW-UHFFFAOYSA-N 0 0 240.646 2.094 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCC2(F)CCC2)s1 ZINC000336679233 385621305 /nfs/dbraw/zinc/62/13/05/385621305.db2.gz NFHYGXGKZAYZDB-UHFFFAOYSA-N 0 0 245.279 2.167 20 5 BEBDRN CC(C)(NCCF)c1ccccc1[N+](=O)[O-] ZINC000336682874 385646870 /nfs/dbraw/zinc/64/68/70/385646870.db2.gz SDFBUYNRXQSGPK-UHFFFAOYSA-N 0 0 226.251 2.389 20 5 BEBDRN CC[C@H](C)[C@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000264849452 385674411 /nfs/dbraw/zinc/67/44/11/385674411.db2.gz ZKYPJNWACARYBR-JOYOIKCWSA-N 0 0 238.287 2.414 20 5 BEBDRN COC[C@H]1CCN1c1cc(C)ccc1[N+](=O)[O-] ZINC000292680760 385711574 /nfs/dbraw/zinc/71/15/74/385711574.db2.gz BEYSCRDQDFIMFK-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CS1 ZINC000397831756 385716068 /nfs/dbraw/zinc/71/60/68/385716068.db2.gz CZJOAXPBSIQBCQ-JGVFFNPUSA-N 0 0 239.300 2.296 20 5 BEBDRN C[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000408462605 385748285 /nfs/dbraw/zinc/74/82/85/385748285.db2.gz ACODYPMVHHXHQT-ZETCQYMHSA-N 0 0 225.223 2.118 20 5 BEBDRN Cc1cn(C/C(Cl)=C/Cl)nc1[N+](=O)[O-] ZINC000282264295 385748466 /nfs/dbraw/zinc/74/84/66/385748466.db2.gz OAFQUMVCYVNWSS-KXFIGUGUSA-N 0 0 236.058 2.419 20 5 BEBDRN C[C@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])CS1 ZINC000397847053 385724222 /nfs/dbraw/zinc/72/42/22/385724222.db2.gz IQQOKKLIPIIJDS-JGVFFNPUSA-N 0 0 239.300 2.296 20 5 BEBDRN C[C@@H]1C[C@@H](Nc2ncccc2[N+](=O)[O-])CS1 ZINC000397847052 385724250 /nfs/dbraw/zinc/72/42/50/385724250.db2.gz IQQOKKLIPIIJDS-HTQZYQBOSA-N 0 0 239.300 2.296 20 5 BEBDRN CSCOc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000292783569 385724395 /nfs/dbraw/zinc/72/43/95/385724395.db2.gz YTLNMBCZMLEICL-UHFFFAOYSA-N 0 0 241.268 2.497 20 5 BEBDRN CO[C@H](CNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000292852501 385726289 /nfs/dbraw/zinc/72/62/89/385726289.db2.gz RMJYVVNUGUQZOB-GFCCVEGCSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@@H](O)CCCNc1ccccc1[N+](=O)[O-] ZINC000227996004 385804512 /nfs/dbraw/zinc/80/45/12/385804512.db2.gz ATGGWLDRAKLUQW-SECBINFHSA-N 0 0 224.260 2.168 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2cccc(O)c2)cn1 ZINC000344422156 385828435 /nfs/dbraw/zinc/82/84/35/385828435.db2.gz BTBLIOXZUZJCOP-UHFFFAOYSA-N 0 0 245.238 2.308 20 5 BEBDRN CS[C@H](C)CNc1nc(C)ccc1[N+](=O)[O-] ZINC000159242316 385841133 /nfs/dbraw/zinc/84/11/33/385841133.db2.gz STNOKYRZHVIAAE-MRVPVSSYSA-N 0 0 241.316 2.462 20 5 BEBDRN Cc1ccc(NCCc2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000291238798 385850253 /nfs/dbraw/zinc/85/02/53/385850253.db2.gz XIKFIXAASQRNGE-UHFFFAOYSA-N 0 0 246.270 2.281 20 5 BEBDRN Cc1cc(NC(=O)[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000182408343 385867343 /nfs/dbraw/zinc/86/73/43/385867343.db2.gz CYJCWBFLFOZVBW-GMSGAONNSA-N 0 0 234.255 2.498 20 5 BEBDRN Cc1cc(CNc2ncc([N+](=O)[O-])cc2C)no1 ZINC000052812816 385989358 /nfs/dbraw/zinc/98/93/58/385989358.db2.gz DIUZRIJJWAISFU-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC(C)[C@]1(C)C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000397201535 385940991 /nfs/dbraw/zinc/94/09/91/385940991.db2.gz WGUPLLKVGZWWSQ-ONGXEEELSA-N 0 0 236.275 2.231 20 5 BEBDRN O=c1c2ccccc2n(CC2CC2)cc1[N+](=O)[O-] ZINC000291741376 385941800 /nfs/dbraw/zinc/94/18/00/385941800.db2.gz YRDSPIMOMUTRSL-UHFFFAOYSA-N 0 0 244.250 2.320 20 5 BEBDRN C[C@H](CO)N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000128169312 385964139 /nfs/dbraw/zinc/96/41/39/385964139.db2.gz KABWTSIKBQMZKO-SSDOTTSWSA-N 0 0 244.678 2.065 20 5 BEBDRN O=[N+]([O-])c1cccc(Cc2nc(C3CC3)no2)c1 ZINC000266606786 385970075 /nfs/dbraw/zinc/97/00/75/385970075.db2.gz QNQYWWGYBRXVSS-UHFFFAOYSA-N 0 0 245.238 2.446 20 5 BEBDRN CC[C@@H](CO)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218822873 386016314 /nfs/dbraw/zinc/01/63/14/386016314.db2.gz RXKFXDJAUXCTPY-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN O=[N+]([O-])c1ccc(CNC(CF)CF)c(F)c1 ZINC000449381406 386108832 /nfs/dbraw/zinc/10/88/32/386108832.db2.gz RUHRUEQOEYFSET-UHFFFAOYSA-N 0 0 248.204 2.131 20 5 BEBDRN C[C@H](CCCO)Nc1ccccc1[N+](=O)[O-] ZINC000087360520 386197067 /nfs/dbraw/zinc/19/70/67/386197067.db2.gz SDQKQQZJASMLSD-SECBINFHSA-N 0 0 224.260 2.168 20 5 BEBDRN O=C(Nc1ccsc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000334490597 386339560 /nfs/dbraw/zinc/33/95/60/386339560.db2.gz NRVPKCXGJRTBJK-UHFFFAOYSA-N 0 0 237.240 2.237 20 5 BEBDRN O=c1c([N+](=O)[O-])cccn1CC12CCC(CC1)C2 ZINC000294164115 386439616 /nfs/dbraw/zinc/43/96/16/386439616.db2.gz IRMKOWYMHNIVGS-UHFFFAOYSA-N 0 0 248.282 2.337 20 5 BEBDRN CC(C)[C@]1(C)C[C@@H]1Nc1ccncc1[N+](=O)[O-] ZINC000397289482 386578366 /nfs/dbraw/zinc/57/83/66/386578366.db2.gz KSWJFZLHYPSWNK-RYUDHWBXSA-N 0 0 235.287 2.258 20 5 BEBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000229561344 386609795 /nfs/dbraw/zinc/60/97/95/386609795.db2.gz ABDXXQFNCFIONM-UHFFFAOYSA-N 0 0 224.191 2.082 20 5 BEBDRN Cc1ccc(N2C[C@@H](F)[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000294924063 386679146 /nfs/dbraw/zinc/67/91/46/386679146.db2.gz GUPJAKPLEDMARX-DTORHVGOSA-N 0 0 242.225 2.399 20 5 BEBDRN O=[N+]([O-])c1cnc(N2C[C@@H]3CCC[C@H]3C2)s1 ZINC000190335308 386657203 /nfs/dbraw/zinc/65/72/03/386657203.db2.gz LRWNRSXWZQQWSL-YUMQZZPRSA-N 0 0 239.300 2.288 20 5 BEBDRN CO[C@@H](C)CCNc1nccc(C)c1[N+](=O)[O-] ZINC000265301118 386707253 /nfs/dbraw/zinc/70/72/53/386707253.db2.gz ZZDHEQZUUJHITG-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN O=[N+]([O-])c1ccc(OCC2CCOCC2)cc1 ZINC000073969123 386747669 /nfs/dbraw/zinc/74/76/69/386747669.db2.gz HTHNTHGULKWOPO-UHFFFAOYSA-N 0 0 237.255 2.400 20 5 BEBDRN Cc1ccnc(Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000301268189 386827378 /nfs/dbraw/zinc/82/73/78/386827378.db2.gz IQRABNCWXSUMJX-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN Cc1nn(Cc2cnoc2C2CC2)cc1[N+](=O)[O-] ZINC000295356616 387115239 /nfs/dbraw/zinc/11/52/39/387115239.db2.gz OFROWHUBCUUGKS-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN C[C@H]1OCC[C@@H]1Sc1ncccc1[N+](=O)[O-] ZINC000269886142 387127491 /nfs/dbraw/zinc/12/74/91/387127491.db2.gz BDLNKSRJALCVLP-APPZFPTMSA-N 0 0 240.284 2.259 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@H]2O)cc1 ZINC000089167293 387186733 /nfs/dbraw/zinc/18/67/33/387186733.db2.gz DLECITLHNYKLIE-JOYOIKCWSA-N 0 0 236.271 2.168 20 5 BEBDRN C[C@H](NC(=O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000295448031 387205961 /nfs/dbraw/zinc/20/59/61/387205961.db2.gz WHMFZSCQQRGVAG-LURJTMIESA-N 0 0 244.197 2.037 20 5 BEBDRN C[C@@H](CCCO)Nc1ccc([N+](=O)[O-])cc1F ZINC000088503678 387292253 /nfs/dbraw/zinc/29/22/53/387292253.db2.gz UZZYIUDPBBLMRW-QMMMGPOBSA-N 0 0 242.250 2.307 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CCCO)c1 ZINC000088503642 387292959 /nfs/dbraw/zinc/29/29/59/387292959.db2.gz MMOIOVFOKMEKOZ-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1ccc(N[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000269940432 387293082 /nfs/dbraw/zinc/29/30/82/387293082.db2.gz OWGWBAVNVNQIMK-JQWIXIFHSA-N 0 0 236.271 2.229 20 5 BEBDRN CC1CCC(Cn2ncc([N+](=O)[O-])c2N)CC1 ZINC000089577240 387363864 /nfs/dbraw/zinc/36/38/64/387363864.db2.gz AYIZXIRSKYHHBS-UHFFFAOYSA-N 0 0 238.291 2.200 20 5 BEBDRN CC[C@@H](F)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000440578010 387344640 /nfs/dbraw/zinc/34/46/40/387344640.db2.gz MBCJZQLXAFYUPZ-MRVPVSSYSA-N 0 0 215.228 2.156 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@@H](F)[C@@H](F)C2)cc1 ZINC000294912197 387442746 /nfs/dbraw/zinc/44/27/46/387442746.db2.gz FWCNRNYYQBESGB-AOOOYVTPSA-N 0 0 228.198 2.091 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2C[C@H]3CC[C@@H]2C3)c1 ZINC000192782489 387453610 /nfs/dbraw/zinc/45/36/10/387453610.db2.gz OSWZZANVNKZIKZ-WCBMZHEXSA-N 0 0 233.271 2.166 20 5 BEBDRN CN(CCF)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000296114919 387495321 /nfs/dbraw/zinc/49/53/21/387495321.db2.gz HAQOUVVXSTWWFS-UHFFFAOYSA-N 0 0 241.222 2.028 20 5 BEBDRN CC(C)(CCC(=O)N[C@H]1CC=CCC1)[N+](=O)[O-] ZINC000295962530 387518563 /nfs/dbraw/zinc/51/85/63/387518563.db2.gz VFEGSHYEBVEFLC-JTQLQIEISA-N 0 0 240.303 2.047 20 5 BEBDRN CCC[C@@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000297278711 387578694 /nfs/dbraw/zinc/57/86/94/387578694.db2.gz XGZKCJYOENLLGD-BDAKNGLRSA-N 0 0 236.275 2.294 20 5 BEBDRN Cc1ccnc(N2C[C@@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000267728373 387742760 /nfs/dbraw/zinc/74/27/60/387742760.db2.gz VPBDYMHJTNTLEE-NXEZZACHSA-N 0 0 235.287 2.390 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC1 ZINC000184479116 177876974 /nfs/dbraw/zinc/87/69/74/177876974.db2.gz LRUFTFHIQGWGRP-UHFFFAOYSA-N 0 0 249.270 2.496 20 5 BEBDRN CCCN(C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000347400783 387960238 /nfs/dbraw/zinc/96/02/38/387960238.db2.gz BOHYIMVIRYVTAQ-UHFFFAOYSA-N 0 0 246.270 2.384 20 5 BEBDRN C[C@@H]1CCC[C@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596113371 388404289 /nfs/dbraw/zinc/40/42/89/388404289.db2.gz ATGWKHIYTQCYBP-HTQZYQBOSA-N 0 0 237.259 2.296 20 5 BEBDRN C[C@H](O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000193432595 388347880 /nfs/dbraw/zinc/34/78/80/388347880.db2.gz UHVNMMXYVVZISN-QMMMGPOBSA-N 0 0 227.285 2.209 20 5 BEBDRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC1CCC1 ZINC000491278724 388349557 /nfs/dbraw/zinc/34/95/57/388349557.db2.gz MNRXXHFCPPBCMX-BQYQJAHWSA-N 0 0 246.266 2.277 20 5 BEBDRN COc1nn(C)cc1Nc1ccccc1[N+](=O)[O-] ZINC000352601921 388361702 /nfs/dbraw/zinc/36/17/02/388361702.db2.gz NFJLMSJCNHKRJU-UHFFFAOYSA-N 0 0 248.242 2.081 20 5 BEBDRN CO[C@H](C)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227540699 388366179 /nfs/dbraw/zinc/36/61/79/388366179.db2.gz XMHLPBFMAZWXMH-ZCFIWIBFSA-N 0 0 246.213 2.320 20 5 BEBDRN O=c1c([N+](=O)[O-])cc(Cl)cn1CC1CCC1 ZINC000271178710 388375314 /nfs/dbraw/zinc/37/53/14/388375314.db2.gz LVHQZFZOUOMWRG-UHFFFAOYSA-N 0 0 242.662 2.210 20 5 BEBDRN O=c1c([N+](=O)[O-])cccn1[C@@H]1C=CCCC1 ZINC000171793344 388406062 /nfs/dbraw/zinc/40/60/62/388406062.db2.gz DVUNXHFYHLEQBD-SECBINFHSA-N 0 0 220.228 2.038 20 5 BEBDRN O=[N+]([O-])c1ccc2[nH]c(NC3CCC3)nc2c1 ZINC000094771885 388385334 /nfs/dbraw/zinc/38/53/34/388385334.db2.gz SDHPIFFDVZWPMS-UHFFFAOYSA-N 0 0 232.243 2.436 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1NC1(CO)CCC1 ZINC000163778471 388385666 /nfs/dbraw/zinc/38/56/66/388385666.db2.gz UKEXJLWMYDSTPO-UHFFFAOYSA-N 0 0 240.234 2.061 20 5 BEBDRN C[C@@H](C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000251993244 388387925 /nfs/dbraw/zinc/38/79/25/388387925.db2.gz JSCOIYRFZZSOIG-ZETCQYMHSA-N 0 0 238.243 2.058 20 5 BEBDRN CSCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195055774 388459539 /nfs/dbraw/zinc/45/95/39/388459539.db2.gz KAAWEXSNKLCULX-UHFFFAOYSA-N 0 0 227.289 2.032 20 5 BEBDRN CCOCCCCNc1ccc([N+](=O)[O-])cn1 ZINC000194072837 388476560 /nfs/dbraw/zinc/47/65/60/388476560.db2.gz JIKPRHMZUKSQIW-UHFFFAOYSA-N 0 0 239.275 2.218 20 5 BEBDRN CC(C)[C@@H]1C[C@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596271699 388411894 /nfs/dbraw/zinc/41/18/94/388411894.db2.gz SVVJQESQULXJSS-IONNQARKSA-N 0 0 237.259 2.152 20 5 BEBDRN COCCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000272140826 388504370 /nfs/dbraw/zinc/50/43/70/388504370.db2.gz ZRJNYDGJVPZIHZ-UHFFFAOYSA-N 0 0 247.254 2.105 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)N(Cc1ccno1)CC2 ZINC000273455740 388604218 /nfs/dbraw/zinc/60/42/18/388604218.db2.gz YSQFPSIVRRHRPU-UHFFFAOYSA-N 0 0 245.238 2.146 20 5 BEBDRN CC(C)C(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000113418826 388674806 /nfs/dbraw/zinc/67/48/06/388674806.db2.gz QGBULWJWPGOBSV-UHFFFAOYSA-N 0 0 241.218 2.338 20 5 BEBDRN O=C(CCC1CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000522302654 388675108 /nfs/dbraw/zinc/67/51/08/388675108.db2.gz MGQZWVVEQRRHBE-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN CCCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148794 388679545 /nfs/dbraw/zinc/67/95/45/388679545.db2.gz UPIVHKRVBGHPHN-UHFFFAOYSA-N 0 0 234.255 2.284 20 5 BEBDRN Cc1sc(C(=O)N(C)C(C)C)cc1[N+](=O)[O-] ZINC000078240128 388679948 /nfs/dbraw/zinc/67/99/48/388679948.db2.gz CNNVEBYKPZRVRA-UHFFFAOYSA-N 0 0 242.300 2.445 20 5 BEBDRN CSCCOc1cccc([N+](=O)[O-])c1 ZINC000078296585 388680528 /nfs/dbraw/zinc/68/05/28/388680528.db2.gz HHLJYASYKOOURH-UHFFFAOYSA-N 0 0 213.258 2.337 20 5 BEBDRN Cc1ccnc(S[C@@H](C)[C@H](C)O)c1[N+](=O)[O-] ZINC000078582422 388682507 /nfs/dbraw/zinc/68/25/07/388682507.db2.gz XPOHNMSBDBUOBI-YUMQZZPRSA-N 0 0 242.300 2.160 20 5 BEBDRN CC(C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000091484271 388632521 /nfs/dbraw/zinc/63/25/21/388632521.db2.gz CVSZAILTDGJOEN-NSHDSACASA-N 0 0 224.260 2.024 20 5 BEBDRN C[C@]1(Nc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000091505219 388633602 /nfs/dbraw/zinc/63/36/02/388633602.db2.gz LJGDZUZGXPMKBI-NSHDSACASA-N 0 0 222.244 2.186 20 5 BEBDRN Cc1c(C(=O)N(C)C(C)C)cccc1[N+](=O)[O-] ZINC000078728771 388684580 /nfs/dbraw/zinc/68/45/80/388684580.db2.gz KNAXGRPFNYLIHF-UHFFFAOYSA-N 0 0 236.271 2.384 20 5 BEBDRN CN(CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000298735789 388641347 /nfs/dbraw/zinc/64/13/47/388641347.db2.gz PCQCLQNIMKBOBP-UHFFFAOYSA-N 0 0 206.245 2.441 20 5 BEBDRN Cc1cc(-n2cc([N+](=O)[O-])cn2)nc(C(C)C)n1 ZINC000301644955 388654378 /nfs/dbraw/zinc/65/43/78/388654378.db2.gz NMVAATDKAFPPNQ-UHFFFAOYSA-N 0 0 247.258 2.002 20 5 BEBDRN CC[C@@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000054474335 388685527 /nfs/dbraw/zinc/68/55/27/388685527.db2.gz ATUAZCQTAJBMEJ-MRVPVSSYSA-N 0 0 209.249 2.448 20 5 BEBDRN CC(C)(O)CCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000092800824 388736956 /nfs/dbraw/zinc/73/69/56/388736956.db2.gz KFYNJQJQTHZHLF-UHFFFAOYSA-N 0 0 243.234 2.274 20 5 BEBDRN CCOc1cc(Cn2cccn2)ccc1[N+](=O)[O-] ZINC000277959933 388751834 /nfs/dbraw/zinc/75/18/34/388751834.db2.gz WRFXECSTPPWLEL-UHFFFAOYSA-N 0 0 247.254 2.238 20 5 BEBDRN Cc1ccc(C(=O)N[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000299072816 388687416 /nfs/dbraw/zinc/68/74/16/388687416.db2.gz QQQUUZRLPGFLBY-NSHDSACASA-N 0 0 248.282 2.432 20 5 BEBDRN O=C(CC1CC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000299076940 388687802 /nfs/dbraw/zinc/68/78/02/388687802.db2.gz USXTVWMCFJRGQH-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN C[C@@H](CO)SCc1cccc([N+](=O)[O-])c1 ZINC000079089606 388693216 /nfs/dbraw/zinc/69/32/16/388693216.db2.gz IWMIQBVUSGHNSN-QMMMGPOBSA-N 0 0 227.285 2.209 20 5 BEBDRN O=[N+]([O-])c1ccc(CC[NH2+]CC2(F)CC2)cc1 ZINC000527518287 388699259 /nfs/dbraw/zinc/69/92/59/388699259.db2.gz DUOXOGJNWXYYIV-UHFFFAOYSA-N 0 0 238.262 2.229 20 5 BEBDRN Cc1c(OCC(=O)C2CC2)cccc1[N+](=O)[O-] ZINC000068051123 388707599 /nfs/dbraw/zinc/70/75/99/388707599.db2.gz XNIWERJAWFSMJS-UHFFFAOYSA-N 0 0 235.239 2.261 20 5 BEBDRN CCN(CCOC)c1ccc(F)cc1[N+](=O)[O-] ZINC000299159839 388709857 /nfs/dbraw/zinc/70/98/57/388709857.db2.gz QPSIKMPEFZXJCG-UHFFFAOYSA-N 0 0 242.250 2.207 20 5 BEBDRN Nc1ccc(N2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000376451932 388722253 /nfs/dbraw/zinc/72/22/53/388722253.db2.gz XKDPIUSPXRPMSX-JTQLQIEISA-N 0 0 247.298 2.413 20 5 BEBDRN CC[C@H](C)[C@H](O)CNc1sccc1[N+](=O)[O-] ZINC000301980971 388725381 /nfs/dbraw/zinc/72/53/81/388725381.db2.gz AUXFOVVPNCDQTN-IONNQARKSA-N 0 0 244.316 2.475 20 5 BEBDRN C[C@H](CCO)CNc1sccc1[N+](=O)[O-] ZINC000301987448 388727061 /nfs/dbraw/zinc/72/70/61/388727061.db2.gz DHUPNXFOEACWAV-SSDOTTSWSA-N 0 0 230.289 2.087 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCCCn1cccn1 ZINC000161296879 388728201 /nfs/dbraw/zinc/72/82/01/388728201.db2.gz ASODOAYNRCWJDA-UHFFFAOYSA-N 0 0 246.270 2.294 20 5 BEBDRN COC[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000037420576 388800667 /nfs/dbraw/zinc/80/06/67/388800667.db2.gz DKEAWAUBZABHKN-SSDOTTSWSA-N 0 0 228.223 2.181 20 5 BEBDRN CC[C@H](CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000125673312 388803530 /nfs/dbraw/zinc/80/35/30/388803530.db2.gz NBVHZCNUUHHLID-SECBINFHSA-N 0 0 224.260 2.168 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1NC1CCOCC1 ZINC000156413136 388806620 /nfs/dbraw/zinc/80/66/20/388806620.db2.gz HRSGSCZBLHFBKG-UHFFFAOYSA-N 0 0 240.234 2.325 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C1CC1 ZINC000281863941 388808806 /nfs/dbraw/zinc/80/88/06/388808806.db2.gz CDPAUHLAZLNHQE-UHFFFAOYSA-N 0 0 238.218 2.391 20 5 BEBDRN Cc1n[nH]cc1CNc1ccccc1[N+](=O)[O-] ZINC000037893388 388774009 /nfs/dbraw/zinc/77/40/09/388774009.db2.gz NALNLNZBKYNWHP-UHFFFAOYSA-N 0 0 232.243 2.238 20 5 BEBDRN Cc1cc(=O)n(Cc2ccccc2)cc1[N+](=O)[O-] ZINC000096548063 388823163 /nfs/dbraw/zinc/82/31/63/388823163.db2.gz CXDRNFKUGUYOPX-UHFFFAOYSA-N 0 0 244.250 2.113 20 5 BEBDRN O=[N+]([O-])c1ccccc1CN1CC2(CC2)C1 ZINC000334742919 388826265 /nfs/dbraw/zinc/82/62/65/388826265.db2.gz OFABAVNIZFSKDY-UHFFFAOYSA-N 0 0 218.256 2.191 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1N1CCCCO1 ZINC000286779070 132215378 /nfs/dbraw/zinc/21/53/78/132215378.db2.gz UTKNWXRMYYGCGX-UHFFFAOYSA-N 0 0 226.207 2.266 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2[C@@H](C)C[C@@H]2C)n1 ZINC000530484740 322815430 /nfs/dbraw/zinc/81/54/30/322815430.db2.gz VGVRSBUQFULTBE-IUCAKERBSA-N 0 0 221.260 2.285 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CCO[C@@H]2CCC[C@@H]21 ZINC000267326232 132189472 /nfs/dbraw/zinc/18/94/72/132189472.db2.gz ZVQKFGTZPUEVNY-QWHCGFSZSA-N 0 0 248.282 2.353 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CCC=C(F)C1 ZINC000272547460 132200705 /nfs/dbraw/zinc/20/07/05/132200705.db2.gz QQSMMVMAJAVVHG-UHFFFAOYSA-N 0 0 223.207 2.053 20 5 BEBDRN Cc1ccc(N2CCC(=O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000275340663 132204777 /nfs/dbraw/zinc/20/47/77/132204777.db2.gz HLZNATKVMSRYMF-JTQLQIEISA-N 0 0 248.282 2.319 20 5 BEBDRN Cc1ccc(N2CCCCO2)c([N+](=O)[O-])c1 ZINC000276102064 132206275 /nfs/dbraw/zinc/20/62/75/132206275.db2.gz YEXSDSOCWADYOX-UHFFFAOYSA-N 0 0 222.244 2.435 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC=C(C)C1 ZINC000280724257 132211026 /nfs/dbraw/zinc/21/10/26/132211026.db2.gz JDXJCRICGGJIDP-UHFFFAOYSA-N 0 0 233.271 2.455 20 5 BEBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000302476223 132263766 /nfs/dbraw/zinc/26/37/66/132263766.db2.gz VJEAAPLTSBVGLT-SECBINFHSA-N 0 0 234.255 2.010 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CC2CCC1CC2 ZINC000378422625 132290105 /nfs/dbraw/zinc/29/01/05/132290105.db2.gz ZOBZVHLHQSJKSR-UHFFFAOYSA-N 0 0 233.271 2.369 20 5 BEBDRN Cc1ccc(N2CCCCN2)c([N+](=O)[O-])c1 ZINC000288899752 132307270 /nfs/dbraw/zinc/30/72/70/132307270.db2.gz IFWFUGBLDGWMEC-UHFFFAOYSA-N 0 0 221.260 2.008 20 5 BEBDRN C[C@@H]1C[C@H](C)CN(c2ncccc2[N+](=O)[O-])C1 ZINC000015206015 132322818 /nfs/dbraw/zinc/32/28/18/132322818.db2.gz FWCFPJLWMXILIA-AOOOYVTPSA-N 0 0 235.287 2.472 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC[C@@H](F)C2)c(F)c1 ZINC000335408237 133858584 /nfs/dbraw/zinc/85/85/84/133858584.db2.gz YNUBVMZDZPDQNN-SECBINFHSA-N 0 0 242.225 2.278 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[C@H]1C ZINC000335807745 133916361 /nfs/dbraw/zinc/91/63/61/133916361.db2.gz AAQWEGGZPLXEIB-PRHODGIISA-N 0 0 248.282 2.432 20 5 BEBDRN C[C@@H]1CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000335947349 134020524 /nfs/dbraw/zinc/02/05/24/134020524.db2.gz XGKOPNXNFVQLCA-SVRRBLITSA-N 0 0 240.284 2.185 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC(F)C2)c(Cl)c1 ZINC000335996192 134042244 /nfs/dbraw/zinc/04/22/44/134042244.db2.gz CKLCEIDWYNMDNJ-UHFFFAOYSA-N 0 0 244.653 2.402 20 5 BEBDRN O=[N+]([O-])c1ccccc1S[C@@H]1CCOC1 ZINC000336099995 134081238 /nfs/dbraw/zinc/08/12/38/134081238.db2.gz MCAMPNHQCMQCGD-MRVPVSSYSA-N 0 0 225.269 2.476 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC(C)C2)c1 ZINC000336148953 134103602 /nfs/dbraw/zinc/10/36/02/134103602.db2.gz WEIZJKJEFPKSOL-UHFFFAOYSA-N 0 0 206.245 2.359 20 5 BEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cn[nH]c1 ZINC000223238057 134338005 /nfs/dbraw/zinc/33/80/05/134338005.db2.gz IDDKKBOYFXQTCL-MRVPVSSYSA-N 0 0 232.243 2.491 20 5 BEBDRN CC1(C)C[C@@H]1CNc1ccncc1[N+](=O)[O-] ZINC000226234904 134362199 /nfs/dbraw/zinc/36/21/99/134362199.db2.gz JRCVZCHODGTQKS-MRVPVSSYSA-N 0 0 221.260 2.448 20 5 BEBDRN Cc1nc(N2CCC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000408104985 134392989 /nfs/dbraw/zinc/39/29/89/134392989.db2.gz GRYUJJDJFBWIPQ-VIFPVBQESA-N 0 0 239.250 2.237 20 5 BEBDRN Cc1ccc(N[C@@H](C)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000228128174 134408413 /nfs/dbraw/zinc/40/84/13/134408413.db2.gz DSYRDXAPHJFABW-UWVGGRQHSA-N 0 0 238.287 2.475 20 5 BEBDRN C[C@@H]1C[C@H](C)N(c2ncccc2[N+](=O)[O-])C1 ZINC000408220789 134515951 /nfs/dbraw/zinc/51/59/51/134515951.db2.gz ZOSIUNJTNSAHAU-BDAKNGLRSA-N 0 0 221.260 2.225 20 5 BEBDRN Cc1cc(OCc2ncccn2)ccc1[N+](=O)[O-] ZINC000191711790 134575285 /nfs/dbraw/zinc/57/52/85/134575285.db2.gz KSVZJMATKCYSCX-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN Cc1cc(N2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000048554424 134622097 /nfs/dbraw/zinc/62/20/97/134622097.db2.gz SCSZXZWJOQTGEK-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN COC(C)(C)CNc1ccccc1[N+](=O)[O-] ZINC000078471130 135125446 /nfs/dbraw/zinc/12/54/46/135125446.db2.gz AUBZMMFLHGWZAD-UHFFFAOYSA-N 0 0 224.260 2.432 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1OCC1(O)CCC1 ZINC000342448684 135275334 /nfs/dbraw/zinc/27/53/34/135275334.db2.gz PEXFGFWEJWUNJU-UHFFFAOYSA-N 0 0 241.218 2.028 20 5 BEBDRN O=[N+]([O-])c1ccc(SCCF)nc1 ZINC000075321203 135390405 /nfs/dbraw/zinc/39/04/05/135390405.db2.gz FHLCZFHGVOHYLS-UHFFFAOYSA-N 0 0 202.210 2.051 20 5 BEBDRN Cc1cccc(O[C@@H](C)[C@@H](C)O)c1[N+](=O)[O-] ZINC000087138637 135502405 /nfs/dbraw/zinc/50/24/05/135502405.db2.gz GLKGBBKKOKHGRA-BDAKNGLRSA-N 0 0 225.244 2.051 20 5 BEBDRN Cc1ccnc(N[C@H]2C[C@@H]2C(F)F)c1[N+](=O)[O-] ZINC000343782156 135702141 /nfs/dbraw/zinc/70/21/41/135702141.db2.gz NPRXLPSZXAADDZ-BQBZGAKWSA-N 0 0 243.213 2.364 20 5 BEBDRN CCOCCOc1cc(C)ccc1[N+](=O)[O-] ZINC000345292919 135895121 /nfs/dbraw/zinc/89/51/21/135895121.db2.gz YRIOHCYRFKYEPO-UHFFFAOYSA-N 0 0 225.244 2.319 20 5 BEBDRN Cc1cccc(NCc2c([N+](=O)[O-])ncn2C)c1 ZINC000347731607 136004305 /nfs/dbraw/zinc/00/43/05/136004305.db2.gz FOOFZPKPIUXLSP-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1c(C(=O)N[C@H]2CC23CC3)cccc1[N+](=O)[O-] ZINC000335559531 136100403 /nfs/dbraw/zinc/10/04/03/136100403.db2.gz CPARDNCWPBVKSF-NSHDSACASA-N 0 0 246.266 2.186 20 5 BEBDRN CO[C@@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000264622313 397871647 /nfs/dbraw/zinc/87/16/47/397871647.db2.gz MNPPOJUXJOEBFP-ZETCQYMHSA-N 0 0 249.226 2.352 20 5 BEBDRN C[C@H](CNc1ccc([N+](=O)[O-])cn1)C(F)(F)F ZINC000355785200 397972198 /nfs/dbraw/zinc/97/21/98/397972198.db2.gz QGZQEXPBUMVQCI-ZCFIWIBFSA-N 0 0 249.192 2.022 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H]2C)n1 ZINC000133019727 398075387 /nfs/dbraw/zinc/07/53/87/398075387.db2.gz XZECUPLTSRDGIG-VXNVDRBHSA-N 0 0 221.260 2.366 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@@H]1CC[C@H](O)C1 ZINC000220046311 398083127 /nfs/dbraw/zinc/08/31/27/398083127.db2.gz IIQAQRGQOFSDRM-ZJUUUORDSA-N 0 0 236.271 2.168 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1Nc1ccc(F)cc1 ZINC000006565540 398116497 /nfs/dbraw/zinc/11/64/97/398116497.db2.gz DMNXAEIZFHDLRK-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN CC(C)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000298628081 167001903 /nfs/dbraw/zinc/00/19/03/167001903.db2.gz GKKGWMRYKVSVPW-UHFFFAOYSA-N 0 0 228.273 2.042 20 5 BEBDRN CSCCCn1nc(C)c([N+](=O)[O-])c1C ZINC000153618112 175490192 /nfs/dbraw/zinc/49/01/92/175490192.db2.gz HOCZUOIJYMFLRK-UHFFFAOYSA-N 0 0 229.305 2.161 20 5 BEBDRN Cc1nccn1/C=C\c1ccc([N+](=O)[O-])o1 ZINC001651882630 1173001768 /nfs/dbraw/zinc/00/17/68/1173001768.db2.gz YTDDPFJSEHLYBS-XQRVVYSFSA-N 0 0 219.200 2.321 20 5 BEBDRN CC1(C)C[C@@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC001651933111 1173009702 /nfs/dbraw/zinc/00/97/02/1173009702.db2.gz NRMJLKPPRCMGQC-QMMMGPOBSA-N 0 0 246.270 2.453 20 5 BEBDRN Cc1cncc(CNc2ncccc2[N+](=O)[O-])c1 ZINC000340570702 410464585 /nfs/dbraw/zinc/46/45/85/410464585.db2.gz OXYRVJDEEMYEBI-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CCN(CC)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000121820385 169758997 /nfs/dbraw/zinc/75/89/97/169758997.db2.gz ZVAGPBSFASYWOE-UHFFFAOYSA-N 0 0 236.271 2.385 20 5 BEBDRN CC(=O)c1ccc(N2CCC2)c([N+](=O)[O-])c1 ZINC000298089697 166461586 /nfs/dbraw/zinc/46/15/86/166461586.db2.gz KGCBJEHRSPMSBI-UHFFFAOYSA-N 0 0 220.228 2.008 20 5 BEBDRN CC(C)CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000035121055 167017583 /nfs/dbraw/zinc/01/75/83/167017583.db2.gz CHWPAEPLPOHDJB-UHFFFAOYSA-N 0 0 236.231 2.199 20 5 BEBDRN CC(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000168991578 167079501 /nfs/dbraw/zinc/07/95/01/167079501.db2.gz YJEQTESRYDCYGF-UHFFFAOYSA-N 0 0 241.222 2.264 20 5 BEBDRN CC(C)[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000298455893 167365302 /nfs/dbraw/zinc/36/53/02/167365302.db2.gz UOVONIIYGYBEMB-MRVPVSSYSA-N 0 0 240.259 2.304 20 5 BEBDRN CC(C)[C@@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000125660101 167457623 /nfs/dbraw/zinc/45/76/23/167457623.db2.gz DQSRNFCAFAIIRX-NSHDSACASA-N 0 0 224.260 2.024 20 5 BEBDRN O=[N+]([O-])c1ccc(CSCCO)c(Cl)c1 ZINC000049964284 411248248 /nfs/dbraw/zinc/24/82/48/411248248.db2.gz MSKFNTJYVXYVGY-UHFFFAOYSA-N 0 0 247.703 2.474 20 5 BEBDRN C[C@H](F)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000356655483 411189419 /nfs/dbraw/zinc/18/94/19/411189419.db2.gz RDZPPJHQPPWWCW-LURJTMIESA-N 0 0 246.263 2.134 20 5 BEBDRN CC1(C)[C@H](O)C[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000129272839 168008645 /nfs/dbraw/zinc/00/86/45/168008645.db2.gz QQRMVEGYAZCQNH-GHMZBOCLSA-N 0 0 236.271 2.166 20 5 BEBDRN CC1(CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000357244338 168038060 /nfs/dbraw/zinc/03/80/60/168038060.db2.gz AYXLXESRMCJHKU-UHFFFAOYSA-N 0 0 240.284 2.186 20 5 BEBDRN CN(Cc1ncccn1)c1ccc([N+](=O)[O-])cc1 ZINC001652162261 1173038449 /nfs/dbraw/zinc/03/84/49/1173038449.db2.gz LGHSKMUALNGGLY-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN CCC(=O)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000131625649 168208395 /nfs/dbraw/zinc/20/83/95/168208395.db2.gz GXTSGHXYIUWHHM-UHFFFAOYSA-N 0 0 223.228 2.261 20 5 BEBDRN CCC(C)(C)N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000265622209 168284322 /nfs/dbraw/zinc/28/43/22/168284322.db2.gz QQKIUSLIVKIEKS-UHFFFAOYSA-N 0 0 239.275 2.184 20 5 BEBDRN CN(Cc1ccno1)Cc1ccccc1[N+](=O)[O-] ZINC000298286047 411437709 /nfs/dbraw/zinc/43/77/09/411437709.db2.gz PIKNOCFEUBPYEX-UHFFFAOYSA-N 0 0 247.254 2.215 20 5 BEBDRN CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000046705298 170084428 /nfs/dbraw/zinc/08/44/28/170084428.db2.gz XYSHTRWSINXDAH-UHFFFAOYSA-N 0 0 243.650 2.390 20 5 BEBDRN CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000335872620 170100496 /nfs/dbraw/zinc/10/04/96/170100496.db2.gz MJGOALFTGISHRR-UHFFFAOYSA-N 0 0 242.662 2.306 20 5 BEBDRN CCNc1ccc([N+](=O)[O-])cc1COC ZINC000050830466 170174443 /nfs/dbraw/zinc/17/44/43/170174443.db2.gz GPGOBMQDULMIAD-UHFFFAOYSA-N 0 0 210.233 2.173 20 5 BEBDRN CCNc1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000285591228 170174655 /nfs/dbraw/zinc/17/46/55/170174655.db2.gz LEJJFQTYFBFCQR-UHFFFAOYSA-N 0 0 208.217 2.229 20 5 BEBDRN CCNc1ccc([N+](=O)[O-])c(C(=O)OCC)c1 ZINC000268127246 170174720 /nfs/dbraw/zinc/17/47/20/170174720.db2.gz DOWNUNQIKAZNLY-UHFFFAOYSA-N 0 0 238.243 2.203 20 5 BEBDRN CC[C@@H](C)CN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000110331410 170696856 /nfs/dbraw/zinc/69/68/56/170696856.db2.gz NTGFRVCGDJQSGP-MRVPVSSYSA-N 0 0 240.259 2.306 20 5 BEBDRN CC[C@@H](C)[C@H](O)CNc1sccc1[N+](=O)[O-] ZINC000301980972 170799813 /nfs/dbraw/zinc/79/98/13/170799813.db2.gz AUXFOVVPNCDQTN-VXNVDRBHSA-N 0 0 244.316 2.475 20 5 BEBDRN CC[C@@H]1CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000294143722 171017771 /nfs/dbraw/zinc/01/77/71/171017771.db2.gz UUGQFWBOZMGWLI-LLVKDONJSA-N 0 0 248.282 2.148 20 5 BEBDRN CC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000227014386 171124564 /nfs/dbraw/zinc/12/45/64/171124564.db2.gz NORPYRYYLBDJRY-APPZFPTMSA-N 0 0 207.233 2.200 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000281844805 171139071 /nfs/dbraw/zinc/13/90/71/171139071.db2.gz RGUKGIIBCLGPKN-MWLCHTKSSA-N 0 0 248.282 2.432 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000281807621 171141118 /nfs/dbraw/zinc/14/11/18/171141118.db2.gz NIBXNSQGNQJBGH-RNFRBKRXSA-N 0 0 240.284 2.185 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000281775612 171141196 /nfs/dbraw/zinc/14/11/96/171141196.db2.gz JYNSPSMXEHCPOD-MWLCHTKSSA-N 0 0 248.282 2.432 20 5 BEBDRN CC[C@@H]1[C@H](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000274652860 171161335 /nfs/dbraw/zinc/16/13/35/171161335.db2.gz CXHUBPRETUCBMG-PSASIEDQSA-N 0 0 236.275 2.010 20 5 BEBDRN CC[C@H](C)CN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264700018 171271394 /nfs/dbraw/zinc/27/13/94/171271394.db2.gz JMHFLPAXJPZZLH-QMMMGPOBSA-N 0 0 239.275 2.041 20 5 BEBDRN CC[C@H](C)CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330502479 171271717 /nfs/dbraw/zinc/27/17/17/171271717.db2.gz WZHQQLQILNUFAD-QMMMGPOBSA-N 0 0 239.275 2.041 20 5 BEBDRN CC[C@H](C)Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000158712995 171300735 /nfs/dbraw/zinc/30/07/35/171300735.db2.gz KFWJDHKUJZNIAP-ZETCQYMHSA-N 0 0 244.678 2.456 20 5 BEBDRN CC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000075505725 171304416 /nfs/dbraw/zinc/30/44/16/171304416.db2.gz YTBUKRILVMROIM-VIFPVBQESA-N 0 0 236.271 2.465 20 5 BEBDRN CC[C@H](C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000035121012 171349331 /nfs/dbraw/zinc/34/93/31/171349331.db2.gz NJHSZIXSARVEDU-LURJTMIESA-N 0 0 236.231 2.341 20 5 BEBDRN CC[C@H](COC)Nc1ccc([N+](=O)[O-])cc1 ZINC000059539098 171462717 /nfs/dbraw/zinc/46/27/17/171462717.db2.gz JXXOVLGDHGOROZ-SECBINFHSA-N 0 0 224.260 2.432 20 5 BEBDRN CC[C@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000361045876 171633230 /nfs/dbraw/zinc/63/32/30/171633230.db2.gz ZAEYEVYASDHMOP-VIFPVBQESA-N 0 0 221.260 2.226 20 5 BEBDRN CC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000227014411 171680088 /nfs/dbraw/zinc/68/00/88/171680088.db2.gz NORPYRYYLBDJRY-IONNQARKSA-N 0 0 207.233 2.200 20 5 BEBDRN CCc1nccn1Cc1ccccc1[N+](=O)[O-] ZINC000104300507 172027385 /nfs/dbraw/zinc/02/73/85/172027385.db2.gz IBKJWFLKQHSPHB-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN CCc1nn(C)c(N[C@@H]2CC[C@H]2C)c1[N+](=O)[O-] ZINC000336718897 172038927 /nfs/dbraw/zinc/03/89/27/172038927.db2.gz VMVSXSSUGZKHQJ-VXNVDRBHSA-N 0 0 238.291 2.101 20 5 BEBDRN CCc1nn(C)c(NC2CCCC2)c1[N+](=O)[O-] ZINC000091561039 172039683 /nfs/dbraw/zinc/03/96/83/172039683.db2.gz NKFBOWJVZKYQOI-UHFFFAOYSA-N 0 0 238.291 2.245 20 5 BEBDRN CCc1nnc(COc2ccccc2[N+](=O)[O-])o1 ZINC000124175168 172055008 /nfs/dbraw/zinc/05/50/08/172055008.db2.gz UFJUTJXIRMQGMD-UHFFFAOYSA-N 0 0 249.226 2.119 20 5 BEBDRN CCc1nnc(NCc2cccc([N+](=O)[O-])c2)o1 ZINC000296045590 172060849 /nfs/dbraw/zinc/06/08/49/172060849.db2.gz QXIIIKFLABPSSW-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CCc1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000268012282 172083539 /nfs/dbraw/zinc/08/35/39/172083539.db2.gz AYQTYTPCOAZFSS-UHFFFAOYSA-N 0 0 247.254 2.325 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NCC=C(C)C ZINC000288298450 172137398 /nfs/dbraw/zinc/13/73/98/172137398.db2.gz BYGSTAKTAMQOTF-UHFFFAOYSA-N 0 0 238.291 2.498 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NCC[C@@H](C)F ZINC000338747570 172137414 /nfs/dbraw/zinc/13/74/14/172137414.db2.gz DEOPQZMVHDGGTJ-SSDOTTSWSA-N 0 0 244.270 2.280 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C1CC1 ZINC000288107287 172138066 /nfs/dbraw/zinc/13/80/66/172138066.db2.gz KKOAMNZMDDHDGT-ZETCQYMHSA-N 0 0 238.291 2.330 20 5 BEBDRN CCn1cc(CNc2ccc([N+](=O)[O-])cc2)cn1 ZINC000234215587 172175918 /nfs/dbraw/zinc/17/59/18/172175918.db2.gz LOTQXBRGDMVIRU-UHFFFAOYSA-N 0 0 246.270 2.423 20 5 BEBDRN CN(C[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000267239754 172835134 /nfs/dbraw/zinc/83/51/34/172835134.db2.gz GUEAXLUXJQDGIH-SNVBAGLBSA-N 0 0 236.271 2.068 20 5 BEBDRN CN(c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000298344635 172947486 /nfs/dbraw/zinc/94/74/86/172947486.db2.gz RNAXATXUAVSKIY-UHFFFAOYSA-N 0 0 210.208 2.333 20 5 BEBDRN COC1(Cn2cc([N+](=O)[O-])c(C)n2)CCCC1 ZINC000295362954 174009538 /nfs/dbraw/zinc/00/95/38/174009538.db2.gz OSPZDYNJBDXBQF-UHFFFAOYSA-N 0 0 239.275 2.059 20 5 BEBDRN COCCCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193386870 174204737 /nfs/dbraw/zinc/20/47/37/174204737.db2.gz ZYNPBDCSJOOJJO-UHFFFAOYSA-N 0 0 239.275 2.016 20 5 BEBDRN COCCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887254 174251344 /nfs/dbraw/zinc/25/13/44/174251344.db2.gz NRJNUEFEABPFAQ-UHFFFAOYSA-N 0 0 246.213 2.321 20 5 BEBDRN COCCCNc1ccc([N+](=O)[O-])cc1F ZINC000034974473 174251963 /nfs/dbraw/zinc/25/19/63/174251963.db2.gz NJMCGOAUVXHODN-UHFFFAOYSA-N 0 0 228.223 2.182 20 5 BEBDRN COCCCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000111046135 174252382 /nfs/dbraw/zinc/25/23/82/174252382.db2.gz FDISILSPEMLKAP-UHFFFAOYSA-N 0 0 240.259 2.052 20 5 BEBDRN COCCCn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000269368042 174267756 /nfs/dbraw/zinc/26/77/56/174267756.db2.gz OQCRJMDZCGKMOQ-UHFFFAOYSA-N 0 0 249.270 2.289 20 5 BEBDRN COCCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000035060518 174341447 /nfs/dbraw/zinc/34/14/47/174341447.db2.gz AJROKAPVMLUQRP-UHFFFAOYSA-N 0 0 247.254 2.201 20 5 BEBDRN COCCOc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000285262254 174367724 /nfs/dbraw/zinc/36/77/24/174367724.db2.gz SMUNKJVSGLIMBE-UHFFFAOYSA-N 0 0 249.625 2.413 20 5 BEBDRN COCC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000456 174386678 /nfs/dbraw/zinc/38/66/78/174386678.db2.gz GJHGHKMSWGSWKO-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN COc1cc(NCC2CC2)ccc1[N+](=O)[O-] ZINC000082523342 175001865 /nfs/dbraw/zinc/00/18/65/175001865.db2.gz QLIORWIJWPIGFF-UHFFFAOYSA-N 0 0 222.244 2.425 20 5 BEBDRN COc1ccc(C)cc1Cn1cnc([N+](=O)[O-])c1 ZINC000025451717 175077027 /nfs/dbraw/zinc/07/70/27/175077027.db2.gz ZOTXJVIMLGBVRV-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1OCCSC ZINC000171200353 175200926 /nfs/dbraw/zinc/20/09/26/175200926.db2.gz DHJZTHBITSJTPX-UHFFFAOYSA-N 0 0 243.284 2.345 20 5 BEBDRN COc1cccc(N2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000337312513 175275842 /nfs/dbraw/zinc/27/58/42/175275842.db2.gz WZUVGZNTMDXGBO-VIFPVBQESA-N 0 0 236.271 2.450 20 5 BEBDRN COc1ccccc1Oc1ncc([N+](=O)[O-])cn1 ZINC000301978723 175342852 /nfs/dbraw/zinc/34/28/52/175342852.db2.gz ACQLSRYIOTZUHD-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN C[C@@H](CO)Sc1c(F)cc([N+](=O)[O-])cc1F ZINC000121744739 175759421 /nfs/dbraw/zinc/75/94/21/175759421.db2.gz WMZQZNNPCMIIFV-YFKPBYRVSA-N 0 0 249.238 2.346 20 5 BEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000091484516 175931473 /nfs/dbraw/zinc/93/14/73/175931473.db2.gz AWORKJKYAIEWGZ-NXEZZACHSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@@H](Nc1ncc([N+](=O)[O-])s1)c1ccon1 ZINC000336783120 175937286 /nfs/dbraw/zinc/93/72/86/175937286.db2.gz ZLRZKOLPBZMYCS-RXMQYKEDSA-N 0 0 240.244 2.212 20 5 BEBDRN C[C@@H](O)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000078771628 175960809 /nfs/dbraw/zinc/96/08/09/175960809.db2.gz PXMZQRBSLOOPMO-SSDOTTSWSA-N 0 0 244.678 2.431 20 5 BEBDRN C[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000190299849 176104601 /nfs/dbraw/zinc/10/46/01/176104601.db2.gz RQURPDFFJMQIMF-SSDOTTSWSA-N 0 0 227.289 2.288 20 5 BEBDRN C[C@@H]1CCC[C@@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000025571671 176124052 /nfs/dbraw/zinc/12/40/52/176124052.db2.gz BSSOPVFPEOXFNC-RKDXNWHRSA-N 0 0 238.291 2.319 20 5 BEBDRN C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000299678317 176159707 /nfs/dbraw/zinc/15/97/07/176159707.db2.gz VLSLWHOZLZYZBT-SECBINFHSA-N 0 0 249.270 2.469 20 5 BEBDRN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000299695554 176163469 /nfs/dbraw/zinc/16/34/69/176163469.db2.gz XPUWQXGWXQJZEZ-SECBINFHSA-N 0 0 234.255 2.077 20 5 BEBDRN C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000263693390 176177562 /nfs/dbraw/zinc/17/75/62/176177562.db2.gz KCTFUQWCVILKFD-MRVPVSSYSA-N 0 0 226.301 2.498 20 5 BEBDRN C[C@@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275417747 176180192 /nfs/dbraw/zinc/18/01/92/176180192.db2.gz TUHVMKFIWPGIBN-SECBINFHSA-N 0 0 247.298 2.409 20 5 BEBDRN C[C@@H]1CCOCCN1c1ccc([N+](=O)[O-])cc1 ZINC000301981736 176189212 /nfs/dbraw/zinc/18/92/12/176189212.db2.gz HHLNRCZFPJDETK-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN C[C@@H]1CC[C@@H](C)N1c1ncccc1[N+](=O)[O-] ZINC000301609212 176200066 /nfs/dbraw/zinc/20/00/66/176200066.db2.gz AWAKBFUPQAVEHV-RKDXNWHRSA-N 0 0 221.260 2.367 20 5 BEBDRN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000294408680 176249293 /nfs/dbraw/zinc/24/92/93/176249293.db2.gz YXDRIQVBUVFONR-NXEZZACHSA-N 0 0 248.282 2.004 20 5 BEBDRN C[C@@H]1COCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000359979566 176333047 /nfs/dbraw/zinc/33/30/47/176333047.db2.gz SWNSVDNSVRIVMY-JTQLQIEISA-N 0 0 236.271 2.068 20 5 BEBDRN C[C@@H]1OCC[C@@H]1Sc1ncccc1[N+](=O)[O-] ZINC000269886144 176475450 /nfs/dbraw/zinc/47/54/50/176475450.db2.gz BDLNKSRJALCVLP-CBAPKCEASA-N 0 0 240.284 2.259 20 5 BEBDRN C[C@H](F)CCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000338749583 176741537 /nfs/dbraw/zinc/74/15/37/176741537.db2.gz IYJMYRJJCAOHHY-LURJTMIESA-N 0 0 245.229 2.476 20 5 BEBDRN C[C@@H](CO)[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000077227753 176934437 /nfs/dbraw/zinc/93/44/37/176934437.db2.gz SWLWONVMXJOUNW-YUMQZZPRSA-N 0 0 242.250 2.163 20 5 BEBDRN C[C@H](O)CN(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000049776548 176973934 /nfs/dbraw/zinc/97/39/34/176973934.db2.gz MRDPUHYWFAQKLD-ZETCQYMHSA-N 0 0 244.678 2.065 20 5 BEBDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000087139427 177006412 /nfs/dbraw/zinc/00/64/12/177006412.db2.gz DHFROLQUOACXOF-JGVFFNPUSA-N 0 0 227.285 2.456 20 5 BEBDRN C[C@H]1CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173172519 177106178 /nfs/dbraw/zinc/10/61/78/177106178.db2.gz KMEJPFKDEQXKBH-JTQLQIEISA-N 0 0 248.282 2.148 20 5 BEBDRN C[C@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000040454535 177138080 /nfs/dbraw/zinc/13/80/80/177138080.db2.gz OVNSCTAFUVSWJY-IUCAKERBSA-N 0 0 236.275 2.375 20 5 BEBDRN C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000299623400 177154303 /nfs/dbraw/zinc/15/43/03/177154303.db2.gz JCQWEPAEYUFKQK-VIFPVBQESA-N 0 0 234.255 2.077 20 5 BEBDRN C[C@H]1CCOCCN1c1ccc([N+](=O)[O-])cc1 ZINC000301981734 177177604 /nfs/dbraw/zinc/17/76/04/177177604.db2.gz HHLNRCZFPJDETK-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN C[C@@H]1CC[C@H](C)N1c1ccc([N+](=O)[O-])cn1 ZINC000301609416 177187837 /nfs/dbraw/zinc/18/78/37/177187837.db2.gz BDAGSAUBOJZKMG-DTORHVGOSA-N 0 0 221.260 2.367 20 5 BEBDRN C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000294178236 177221135 /nfs/dbraw/zinc/22/11/35/177221135.db2.gz JKVJGUNMTSMGIB-IUCAKERBSA-N 0 0 249.270 2.467 20 5 BEBDRN C[C@@H]1C[C@H](C)N1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000336453651 177319660 /nfs/dbraw/zinc/31/96/60/177319660.db2.gz RLFUGHUCQSTYKH-AOOOYVTPSA-N 0 0 248.282 2.147 20 5 BEBDRN C[C@H]1C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000336462081 177360110 /nfs/dbraw/zinc/36/01/10/177360110.db2.gz ANMNUDCAUGIXNJ-UWVGGRQHSA-N 0 0 248.282 2.147 20 5 BEBDRN C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000294408696 177428677 /nfs/dbraw/zinc/42/86/77/177428677.db2.gz YXDRIQVBUVFONR-ZJUUUORDSA-N 0 0 248.282 2.004 20 5 BEBDRN Cc1c(NCc2ccnn2C)cccc1[N+](=O)[O-] ZINC000037061395 177620396 /nfs/dbraw/zinc/62/03/96/177620396.db2.gz QUMHAELIYSBECA-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H](C2CC2)C2CCC2)nc1 ZINC000324802011 262795862 /nfs/dbraw/zinc/79/58/62/262795862.db2.gz PPCNLZUWHNGMCM-LLVKDONJSA-N 0 0 248.286 2.375 20 5 BEBDRN CC(C)N(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255917071 322942870 /nfs/dbraw/zinc/94/28/70/322942870.db2.gz IVEVYQRALLGIKC-HJWRWDBZSA-N 0 0 248.282 2.475 20 5 BEBDRN CC[C@H](CC(=O)O[C@@H](C)C[N+](=O)[O-])C(C)C ZINC000814048315 586613160 /nfs/dbraw/zinc/61/31/60/586613160.db2.gz SDFIJLOCFKTKTM-VHSXEESVSA-N 0 0 231.292 2.267 20 5 BEBDRN CC(C)C[C@H](C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128307 588593096 /nfs/dbraw/zinc/59/30/96/588593096.db2.gz QCWHWDFXEXHAMV-VIFPVBQESA-N 0 0 231.292 2.267 20 5 BEBDRN Cc1nccc(NCc2cccc([N+](=O)[O-])c2)n1 ZINC000054936567 322857989 /nfs/dbraw/zinc/85/79/89/322857989.db2.gz GCEIAGFHSDAQLB-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1nocc1COc1cccc([N+](=O)[O-])c1 ZINC000559629193 322978726 /nfs/dbraw/zinc/97/87/26/322978726.db2.gz OLOPRPWWLOHOLQ-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(OCc2ccon2)c1C ZINC000572986533 323039939 /nfs/dbraw/zinc/03/99/39/323039939.db2.gz KTFRHRNYUUAHBN-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000531178110 323079453 /nfs/dbraw/zinc/07/94/53/323079453.db2.gz QOTQTZGMPOJJBC-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN Cc1cccc(OCc2ccno2)c1[N+](=O)[O-] ZINC000535131506 323166837 /nfs/dbraw/zinc/16/68/37/323166837.db2.gz PSBHOSLOVVFSKN-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN CC(C)(NC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000536567001 323197786 /nfs/dbraw/zinc/19/77/86/323197786.db2.gz ZNSXJDKERBAZHT-UHFFFAOYSA-N 0 0 238.243 2.106 20 5 BEBDRN C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532137495 323206884 /nfs/dbraw/zinc/20/68/84/323206884.db2.gz UJGNCMBPKYHYRL-SECBINFHSA-N 0 0 249.270 2.004 20 5 BEBDRN CN(Cc1ccco1)c1ncc([N+](=O)[O-])s1 ZINC000190302777 324194894 /nfs/dbraw/zinc/19/48/94/324194894.db2.gz VDHMNKPZBCAIQN-UHFFFAOYSA-N 0 0 239.256 2.281 20 5 BEBDRN Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000545697161 325233056 /nfs/dbraw/zinc/23/30/56/325233056.db2.gz WSIYGZUPSATYGS-UHFFFAOYSA-N 0 0 219.200 2.262 20 5 BEBDRN CC1(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000133291531 325284493 /nfs/dbraw/zinc/28/44/93/325284493.db2.gz CRRHQLNHGISOMT-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN CC(C)N(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000078728781 325429792 /nfs/dbraw/zinc/42/97/92/325429792.db2.gz DJHSEKBTXPJTBQ-BQYQJAHWSA-N 0 0 248.282 2.475 20 5 BEBDRN CCO[C@@H]1C[C@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000553231195 325682326 /nfs/dbraw/zinc/68/23/26/325682326.db2.gz XPDDSFRGXUPSHX-PSASIEDQSA-N 0 0 240.234 2.323 20 5 BEBDRN C[C@H](C(=O)N1CC(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000554797892 325736620 /nfs/dbraw/zinc/73/66/20/325736620.db2.gz HPZSNSUFKLNFJK-JTQLQIEISA-N 0 0 248.282 2.177 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CCC[C@@H](F)C2)nc1 ZINC000568861065 326379614 /nfs/dbraw/zinc/37/96/14/326379614.db2.gz VUOZSRGOIMVAFB-SFYZADRCSA-N 0 0 240.238 2.077 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@H](F)C2)nc1 ZINC000568861064 326379666 /nfs/dbraw/zinc/37/96/66/326379666.db2.gz VUOZSRGOIMVAFB-JGVFFNPUSA-N 0 0 240.238 2.077 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC3(CCC3)C2)s1 ZINC000192487167 490215212 /nfs/dbraw/zinc/21/52/12/490215212.db2.gz HIGRNTPQNIHJRF-UHFFFAOYSA-N 0 0 239.300 2.432 20 5 BEBDRN Cc1cc(C(=O)NC2CC=CC2)cc([N+](=O)[O-])c1 ZINC000154529649 490291344 /nfs/dbraw/zinc/29/13/44/490291344.db2.gz BBRUFCLSVWKECN-UHFFFAOYSA-N 0 0 246.266 2.352 20 5 BEBDRN CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000050848427 490563991 /nfs/dbraw/zinc/56/39/91/490563991.db2.gz VBICMMPMDGPLKN-UHFFFAOYSA-N 0 0 244.254 2.402 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@H]3C[C@H]32)c(Cl)c1 ZINC000804687549 582525778 /nfs/dbraw/zinc/52/57/78/582525778.db2.gz BPIOTGKLPMPNND-IMTBSYHQSA-N 0 0 239.662 2.242 20 5 BEBDRN C[C@@H](COC(=O)c1cccc(Cl)c1)[N+](=O)[O-] ZINC000813114579 582592009 /nfs/dbraw/zinc/59/20/09/582592009.db2.gz DBWAIJLKRKOCPI-ZETCQYMHSA-N 0 0 243.646 2.162 20 5 BEBDRN Cc1nc(N[C@H]2CC23CC3)ccc1[N+](=O)[O-] ZINC000425270459 534498414 /nfs/dbraw/zinc/49/84/14/534498414.db2.gz GKDNSLQKVZNQNG-VIFPVBQESA-N 0 0 219.244 2.263 20 5 BEBDRN O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C=CCC2)cc1 ZINC000829346739 582857060 /nfs/dbraw/zinc/85/70/60/582857060.db2.gz CECYJOSPQZBWBI-LLVKDONJSA-N 0 0 218.256 2.403 20 5 BEBDRN C/C=C/C=C/C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000493057166 527572159 /nfs/dbraw/zinc/57/21/59/527572159.db2.gz KISRJVOGOHODOI-VNKDHWASSA-N 0 0 247.254 2.085 20 5 BEBDRN C/C=C/C=C\C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000493057165 527590670 /nfs/dbraw/zinc/59/06/70/527590670.db2.gz KISRJVOGOHODOI-ICWBMWKASA-N 0 0 247.254 2.085 20 5 BEBDRN CCO/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000493254178 528500132 /nfs/dbraw/zinc/50/01/32/528500132.db2.gz MAGXKRRCDHAQJG-BQYQJAHWSA-N 0 0 236.227 2.084 20 5 BEBDRN CCN(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000490667787 529109716 /nfs/dbraw/zinc/10/97/16/529109716.db2.gz RUQGUJJWSPOCCU-HJWRWDBZSA-N 0 0 234.255 2.086 20 5 BEBDRN CC1(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000224428276 535159498 /nfs/dbraw/zinc/15/94/98/535159498.db2.gz JXSLJZNMQDYLBI-UHFFFAOYSA-N 0 0 207.233 2.202 20 5 BEBDRN CCNc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000082523340 535524973 /nfs/dbraw/zinc/52/49/73/535524973.db2.gz VUIAOTOCBYRURM-UHFFFAOYSA-N 0 0 210.233 2.425 20 5 BEBDRN CCOCCNc1cccc(C)c1[N+](=O)[O-] ZINC000218838468 535628126 /nfs/dbraw/zinc/62/81/26/535628126.db2.gz QIBLHTOBEVKPNN-UHFFFAOYSA-N 0 0 224.260 2.352 20 5 BEBDRN CC[C@H](C)[C@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000892615383 582930295 /nfs/dbraw/zinc/93/02/95/582930295.db2.gz BYKUVSISWSENOG-YUMQZZPRSA-N 0 0 226.280 2.175 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCC(C)(C)C1 ZINC000893077736 583042911 /nfs/dbraw/zinc/04/29/11/583042911.db2.gz KGPIPQZKZYEHBP-MRVPVSSYSA-N 0 0 238.291 2.319 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H]2C(F)F)cc1 ZINC000853650718 588752195 /nfs/dbraw/zinc/75/21/95/588752195.db2.gz VMNXRZDQHVDFRW-VIFPVBQESA-N 0 0 228.198 2.439 20 5 BEBDRN CC1=NO[C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000853660297 588753455 /nfs/dbraw/zinc/75/34/55/588753455.db2.gz AZPRETBOVYRQQP-LLVKDONJSA-N 0 0 249.270 2.480 20 5 BEBDRN Cc1ccc(N(C)Cc2c[nH]cn2)c([N+](=O)[O-])c1 ZINC000853743127 588760919 /nfs/dbraw/zinc/76/09/19/588760919.db2.gz JZHQOXQUYMDADO-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2C=CCC2)c(F)c1 ZINC000853800148 588763966 /nfs/dbraw/zinc/76/39/66/588763966.db2.gz OKVASMKCCMXFCS-ZETCQYMHSA-N 0 0 223.207 2.259 20 5 BEBDRN O=[N+]([O-])c1c(N[C@@H]2C=CCC2)nc2ccccn21 ZINC000853801139 588764346 /nfs/dbraw/zinc/76/43/46/588764346.db2.gz OKJYULDIWHQXFG-SECBINFHSA-N 0 0 244.254 2.373 20 5 BEBDRN CCC/C=C/C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854497034 588789527 /nfs/dbraw/zinc/78/95/27/588789527.db2.gz XGYXZCZZMGHXNV-SNAWJCMRSA-N 0 0 249.270 2.472 20 5 BEBDRN C[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000854497786 588789648 /nfs/dbraw/zinc/78/96/48/588789648.db2.gz YSDFNPJDIBYOFV-ZETCQYMHSA-N 0 0 249.270 2.162 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]2C[C@H]21 ZINC000804688088 582526760 /nfs/dbraw/zinc/52/67/60/582526760.db2.gz GYYKHNVEDUEXAF-POYBYMJQSA-N 0 0 239.662 2.242 20 5 BEBDRN Cc1cc(C(=O)N[C@@H]2C=CCC2)cc([N+](=O)[O-])c1 ZINC000855425926 588833611 /nfs/dbraw/zinc/83/36/11/588833611.db2.gz PIXSSHQMRROVHD-LLVKDONJSA-N 0 0 246.266 2.352 20 5 BEBDRN CC[C@@H](C)CCC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813102053 582580062 /nfs/dbraw/zinc/58/00/62/582580062.db2.gz AHKIVBTVXQIIHQ-RKDXNWHRSA-N 0 0 217.265 2.021 20 5 BEBDRN CC[C@H](C)CCC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813102052 582580315 /nfs/dbraw/zinc/58/03/15/582580315.db2.gz AHKIVBTVXQIIHQ-IUCAKERBSA-N 0 0 217.265 2.021 20 5 BEBDRN C/C(=C/C(=O)OC[C@H](C)[N+](=O)[O-])C(C)(C)C ZINC000813104605 582581038 /nfs/dbraw/zinc/58/10/38/582581038.db2.gz PBCBGCAVKBSQDS-XZLDQRQTSA-N 0 0 229.276 2.187 20 5 BEBDRN Cc1ccccc1CNc1c([N+](=O)[O-])cnn1C ZINC000891533143 582695306 /nfs/dbraw/zinc/69/53/06/582695306.db2.gz SWDBPAWRZRGPKN-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN CC[C@@H](C)[C@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000892615382 582930324 /nfs/dbraw/zinc/93/03/24/582930324.db2.gz BYKUVSISWSENOG-SFYZADRCSA-N 0 0 226.280 2.175 20 5 BEBDRN C[C@@H](COC(=O)c1ccc(C2CC2)cc1)[N+](=O)[O-] ZINC000851036375 582941593 /nfs/dbraw/zinc/94/15/93/582941593.db2.gz IOMHIBZGJJBOPV-VIFPVBQESA-N 0 0 249.266 2.386 20 5 BEBDRN CC1CC(COC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000851464587 582959831 /nfs/dbraw/zinc/95/98/31/582959831.db2.gz HSWJRAJYZOKPFO-UHFFFAOYSA-N 0 0 243.303 2.411 20 5 BEBDRN CCCC1(CNc2c([N+](=O)[O-])cnn2C)CC1 ZINC000892916976 583009626 /nfs/dbraw/zinc/00/96/26/583009626.db2.gz NPBSSEFQKSHCKC-UHFFFAOYSA-N 0 0 238.291 2.321 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1N[C@H]1CCC(C)(C)C1 ZINC000893077738 583043208 /nfs/dbraw/zinc/04/32/08/583043208.db2.gz KGPIPQZKZYEHBP-QMMMGPOBSA-N 0 0 238.291 2.319 20 5 BEBDRN CC[C@@H]1CCC[C@]1(C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000893077782 583043355 /nfs/dbraw/zinc/04/33/55/583043355.db2.gz VCLGXZVSSOEHNV-FOGDFJRCSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H]1CCC[C@@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000893674504 583195428 /nfs/dbraw/zinc/19/54/28/583195428.db2.gz BBPKMCYOLJVNQY-DTWKUNHWSA-N 0 0 238.291 2.176 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC2(C1)CCOCC2 ZINC000893938505 583253532 /nfs/dbraw/zinc/25/35/32/583253532.db2.gz DLPSGOMOHIZTFJ-UHFFFAOYSA-N 0 0 248.282 2.212 20 5 BEBDRN CC(C)C[C@@H]1C[C@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000894158112 583320799 /nfs/dbraw/zinc/32/07/99/583320799.db2.gz BZVXQQIRZWPKAY-RKDXNWHRSA-N 0 0 238.291 2.175 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC(C)(C)C1 ZINC000814038002 583335682 /nfs/dbraw/zinc/33/56/82/583335682.db2.gz KMFIFAQQTJFIDN-DTWKUNHWSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000814037425 583335791 /nfs/dbraw/zinc/33/57/91/583335791.db2.gz ACLBINOKEGSBMZ-VWYCJHECSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@H]1CCCC[C@@H]1C ZINC000814039670 583337561 /nfs/dbraw/zinc/33/75/61/583337561.db2.gz VISMNIQWMJETFJ-HBNTYKKESA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1cccc(C(=O)O[C@@H](C)C[N+](=O)[O-])c1C ZINC000814048229 583339438 /nfs/dbraw/zinc/33/94/38/583339438.db2.gz ROBJXADLVFQJQK-VIFPVBQESA-N 0 0 237.255 2.125 20 5 BEBDRN Cc1cccc([C@H](C)OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000840673307 583422855 /nfs/dbraw/zinc/42/28/55/583422855.db2.gz JQKOIEZBJSLYLN-MVWJERBFSA-N 0 0 249.266 2.264 20 5 BEBDRN O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000880292547 583523275 /nfs/dbraw/zinc/52/32/75/583523275.db2.gz QZPAKGCXPLGCIH-NSHDSACASA-N 0 0 238.262 2.386 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1F ZINC000894924927 583556886 /nfs/dbraw/zinc/55/68/86/583556886.db2.gz DPPACBDMOYOXCW-JGVFFNPUSA-N 0 0 242.254 2.021 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NC[C@@H]1C=CCC1 ZINC000895130097 583600932 /nfs/dbraw/zinc/60/09/32/583600932.db2.gz JOUNDEYKGDCHDM-SECBINFHSA-N 0 0 249.270 2.377 20 5 BEBDRN Cc1cc(SC[C@H](C)O)ccc1[N+](=O)[O-] ZINC000882738192 583630773 /nfs/dbraw/zinc/63/07/73/583630773.db2.gz MSWGTDKJTSAGFK-QMMMGPOBSA-N 0 0 227.285 2.376 20 5 BEBDRN O=[N+]([O-])c1cc(CN2CC[C@H]2C(F)F)cs1 ZINC000895435017 583672328 /nfs/dbraw/zinc/67/23/28/583672328.db2.gz FPJHRRFRHZMDLC-ZETCQYMHSA-N 0 0 248.254 2.496 20 5 BEBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])s2)CCO1 ZINC000895758986 583721348 /nfs/dbraw/zinc/72/13/48/583721348.db2.gz RTCDTFXVNAKYGO-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN CC(C)(/C=C\Cl)Nc1ncc([N+](=O)[O-])cn1 ZINC000895916103 583746334 /nfs/dbraw/zinc/74/63/34/583746334.db2.gz VTPWATNAPCFMKT-ARJAWSKDSA-N 0 0 242.666 2.328 20 5 BEBDRN Cc1cc(N2CCCC(=O)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000896334778 583792135 /nfs/dbraw/zinc/79/21/35/583792135.db2.gz DTKFDCWDYQBUGP-JTQLQIEISA-N 0 0 248.282 2.461 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897077489 583878897 /nfs/dbraw/zinc/87/88/97/583878897.db2.gz HXFRVTYRWNTUMB-IAUWMGRQSA-N 0 0 246.266 2.183 20 5 BEBDRN C[C@H]1C[C@@H]1COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000729091189 583955606 /nfs/dbraw/zinc/95/56/06/583955606.db2.gz RQOXJSZGQVBCSF-GXSJLCMTSA-N 0 0 249.266 2.337 20 5 BEBDRN C[C@H]1C[C@H]1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000729093925 583957201 /nfs/dbraw/zinc/95/72/01/583957201.db2.gz XYIXSKZQJSDGJJ-BQBZGAKWSA-N 0 0 241.268 2.469 20 5 BEBDRN O=[N+]([O-])CCOc1ccc(F)c(Cl)c1 ZINC000899230021 584183075 /nfs/dbraw/zinc/18/30/75/584183075.db2.gz BADXKNNJVYNVQD-UHFFFAOYSA-N 0 0 219.599 2.135 20 5 BEBDRN Cc1ccc(OCC[N+](=O)[O-])cc1Cl ZINC000899232941 584183534 /nfs/dbraw/zinc/18/35/34/584183534.db2.gz YACVBDVENKEECJ-UHFFFAOYSA-N 0 0 215.636 2.304 20 5 BEBDRN CC(=O)c1ccc(OCC[N+](=O)[O-])c(Cl)c1 ZINC000899232988 584183588 /nfs/dbraw/zinc/18/35/88/584183588.db2.gz ZGAGYHJUTNHKHI-UHFFFAOYSA-N 0 0 243.646 2.198 20 5 BEBDRN O=[N+]([O-])CCSc1ccc(F)c(F)c1 ZINC000899867963 584243663 /nfs/dbraw/zinc/24/36/63/584243663.db2.gz SHSSRGCEUZUCJT-UHFFFAOYSA-N 0 0 219.212 2.334 20 5 BEBDRN COc1cccc(SCC[N+](=O)[O-])c1 ZINC000899866835 584244013 /nfs/dbraw/zinc/24/40/13/584244013.db2.gz RZQSPZDWKDULGS-UHFFFAOYSA-N 0 0 213.258 2.064 20 5 BEBDRN O=[N+]([O-])CCSc1ccc(F)cc1F ZINC000899865116 584245279 /nfs/dbraw/zinc/24/52/79/584245279.db2.gz DMNGSGIPBGMOLW-UHFFFAOYSA-N 0 0 219.212 2.334 20 5 BEBDRN O=[N+]([O-])CC[NH2+]Cc1cc2ccccc2s1 ZINC000899876165 584245351 /nfs/dbraw/zinc/24/53/51/584245351.db2.gz OCWQPFBVWSDUJT-UHFFFAOYSA-N 0 0 236.296 2.268 20 5 BEBDRN O=[N+]([O-])CCSc1nc2ncccc2s1 ZINC000899891334 584246217 /nfs/dbraw/zinc/24/62/17/584246217.db2.gz ANZQERHDZLDJPR-UHFFFAOYSA-N 0 0 241.297 2.060 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCF ZINC000899911623 584253758 /nfs/dbraw/zinc/25/37/58/584253758.db2.gz SGDAUTBXLKFDRN-UHFFFAOYSA-N 0 0 226.207 2.201 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1NCC1COC1 ZINC000858814417 588977159 /nfs/dbraw/zinc/97/71/59/588977159.db2.gz TZOYJXOMYIZSPF-UHFFFAOYSA-N 0 0 242.662 2.307 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)OCCF ZINC000858905278 588984031 /nfs/dbraw/zinc/98/40/31/588984031.db2.gz QRHJHEHUUGTGQC-UHFFFAOYSA-N 0 0 243.190 2.388 20 5 BEBDRN CC(C)(C)c1cnc(SCC[N+](=O)[O-])o1 ZINC000901509927 584456687 /nfs/dbraw/zinc/45/66/87/584456687.db2.gz UQHXOHHIISCIOV-UHFFFAOYSA-N 0 0 230.289 2.341 20 5 BEBDRN COC[C@H](SCC[N+](=O)[O-])c1ccccc1 ZINC000901667484 584477254 /nfs/dbraw/zinc/47/72/54/584477254.db2.gz KTSBQWUTKDAFRU-NSHDSACASA-N 0 0 241.312 2.384 20 5 BEBDRN O=[N+]([O-])c1ccccc1OC[C@H]1C[C@]12CCOC2 ZINC000902115835 584527257 /nfs/dbraw/zinc/52/72/57/584527257.db2.gz DRORNAVQOYCZAZ-MFKMUULPSA-N 0 0 249.266 2.400 20 5 BEBDRN CCCc1nccn1Cc1cccnc1[N+](=O)[O-] ZINC000902296596 584552793 /nfs/dbraw/zinc/55/27/93/584552793.db2.gz MGJLFGVJWRUMPL-UHFFFAOYSA-N 0 0 246.270 2.187 20 5 BEBDRN O=[N+]([O-])c1cnn(CC[C@@H]2C[C@H]2C2CC2)c1 ZINC000902324521 584560480 /nfs/dbraw/zinc/56/04/80/584560480.db2.gz LTRWMTZGUPSJTP-KOLCDFICSA-N 0 0 221.260 2.228 20 5 BEBDRN CCON(CC)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000831499394 584910032 /nfs/dbraw/zinc/91/00/32/584910032.db2.gz OPQPHBUOHOYZSE-UHFFFAOYSA-N 0 0 244.272 2.070 20 5 BEBDRN CC(C)N(C(=O)CCC(C)(C)[N+](=O)[O-])C(C)C ZINC000839274582 585100870 /nfs/dbraw/zinc/10/08/70/585100870.db2.gz XRPASDOZJLENQK-UHFFFAOYSA-N 0 0 244.335 2.467 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCc1cccc(F)n1 ZINC000747848630 585185086 /nfs/dbraw/zinc/18/50/86/585185086.db2.gz WWHATBPYQPVSLT-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN CCCOC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000748474058 585193163 /nfs/dbraw/zinc/19/31/63/585193163.db2.gz JKOCKCXDCYSDBY-UHFFFAOYSA-N 0 0 237.255 2.399 20 5 BEBDRN CC1(CNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000751968647 585240187 /nfs/dbraw/zinc/24/01/87/585240187.db2.gz PYRQYHYUWDDNKE-UHFFFAOYSA-N 0 0 246.270 2.455 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000753773341 585268883 /nfs/dbraw/zinc/26/88/83/585268883.db2.gz YZEOGNFCPRAJCE-WCBMZHEXSA-N 0 0 235.239 2.294 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(C)C ZINC000805067942 585288478 /nfs/dbraw/zinc/28/84/78/585288478.db2.gz BPBNKXSQMVGQCJ-UHFFFAOYSA-N 0 0 238.243 2.111 20 5 BEBDRN C/C=C\C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757616375 585343010 /nfs/dbraw/zinc/34/30/10/585343010.db2.gz IRTOZMQDHPUXKU-RQOWECAXSA-N 0 0 246.266 2.056 20 5 BEBDRN Cn1c(C(=O)OC2(C)CCC2)ccc1[N+](=O)[O-] ZINC000757920685 585346965 /nfs/dbraw/zinc/34/69/65/585346965.db2.gz IXYUMJPHTWMWRP-UHFFFAOYSA-N 0 0 238.243 2.033 20 5 BEBDRN CCOCOc1ccc(C)cc1[N+](=O)[O-] ZINC000758363649 585354787 /nfs/dbraw/zinc/35/47/87/585354787.db2.gz VABDHEVFYDAYPX-UHFFFAOYSA-N 0 0 211.217 2.276 20 5 BEBDRN CCOCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000758410839 585355815 /nfs/dbraw/zinc/35/58/15/585355815.db2.gz QGOUQYGJSMHYTA-UHFFFAOYSA-N 0 0 215.180 2.107 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)[C@@H]1C[C@H]1C ZINC000760021936 585384422 /nfs/dbraw/zinc/38/44/22/585384422.db2.gz GPUMNSCWPCSTCZ-RKDXNWHRSA-N 0 0 235.239 2.465 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)[C@H]1C[C@@H]1C ZINC000760021934 585384450 /nfs/dbraw/zinc/38/44/50/585384450.db2.gz GPUMNSCWPCSTCZ-IUCAKERBSA-N 0 0 235.239 2.465 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)C(C)C ZINC000760023022 585384527 /nfs/dbraw/zinc/38/45/27/585384527.db2.gz RAPQQCFZGYLGDH-UHFFFAOYSA-N 0 0 223.228 2.465 20 5 BEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccc[nH]1 ZINC000760274135 585388530 /nfs/dbraw/zinc/38/85/30/585388530.db2.gz SEXUAMJBFTYSEQ-MRVPVSSYSA-N 0 0 232.243 2.491 20 5 BEBDRN O=[N+]([O-])c1cc(CN2CC[C@H]3C[C@H]32)cs1 ZINC000761083452 585406995 /nfs/dbraw/zinc/40/69/95/585406995.db2.gz JMYGXQTUFBXTGM-DTWKUNHWSA-N 0 0 224.285 2.251 20 5 BEBDRN CC[C@H](C)COC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000761973940 585423577 /nfs/dbraw/zinc/42/35/77/585423577.db2.gz AUFMNOGUWMCIBM-QMMMGPOBSA-N 0 0 238.243 2.193 20 5 BEBDRN CCCOC(=O)c1cccc([N+](=O)[O-])c1NC ZINC000765510885 585488617 /nfs/dbraw/zinc/48/86/17/585488617.db2.gz BFTMYYQYCWRSPO-UHFFFAOYSA-N 0 0 238.243 2.203 20 5 BEBDRN O=C(OCc1ccc([N+](=O)[O-])cc1)C1=CCC1 ZINC000769971892 585568006 /nfs/dbraw/zinc/56/80/06/585568006.db2.gz CPSUTAOSTBQNEM-UHFFFAOYSA-N 0 0 233.223 2.358 20 5 BEBDRN CSCC(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000771485646 585595344 /nfs/dbraw/zinc/59/53/44/585595344.db2.gz BAMVUSOXQQGECH-UHFFFAOYSA-N 0 0 245.231 2.002 20 5 BEBDRN CCc1cc(CNc2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000774529121 585661069 /nfs/dbraw/zinc/66/10/69/585661069.db2.gz KPNUSNLSEVLXHT-UHFFFAOYSA-N 0 0 246.270 2.492 20 5 BEBDRN CCON(C)c1ccc(C)cc1[N+](=O)[O-] ZINC000780660092 585782812 /nfs/dbraw/zinc/78/28/12/585782812.db2.gz QBBMGUPIJUNALJ-UHFFFAOYSA-N 0 0 210.233 2.291 20 5 BEBDRN CCOc1cc(N(C)OCC)ccc1[N+](=O)[O-] ZINC000780660014 585782821 /nfs/dbraw/zinc/78/28/21/585782821.db2.gz OHMKRVDHUUMCNQ-UHFFFAOYSA-N 0 0 240.259 2.381 20 5 BEBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)OC1CC1 ZINC000783198915 585830303 /nfs/dbraw/zinc/83/03/03/585830303.db2.gz RFLQVWMMWBADSK-BAQGIRSFSA-N 0 0 233.223 2.314 20 5 BEBDRN Cc1nn(CCc2cccs2)cc1[N+](=O)[O-] ZINC000783560167 585836887 /nfs/dbraw/zinc/83/68/87/585836887.db2.gz RBNSKABBQQEXTE-UHFFFAOYSA-N 0 0 237.284 2.404 20 5 BEBDRN CCN(C)C(=O)/C=C(/C)c1ccc([N+](=O)[O-])cc1 ZINC000783894244 585845576 /nfs/dbraw/zinc/84/55/76/585845576.db2.gz GQLNOJXKRSRLJB-KTKRTIGZSA-N 0 0 248.282 2.476 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC(F)C2)c(Cl)c1 ZINC000784185827 585852670 /nfs/dbraw/zinc/85/26/70/585852670.db2.gz JYLCGZQSQCQDPP-UHFFFAOYSA-N 0 0 230.626 2.406 20 5 BEBDRN C/C(=C/C(=O)N1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785064444 585870221 /nfs/dbraw/zinc/87/02/21/585870221.db2.gz SCFBXGBQSLXNEG-KTKRTIGZSA-N 0 0 246.266 2.230 20 5 BEBDRN C[C@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000786508536 585893152 /nfs/dbraw/zinc/89/31/52/585893152.db2.gz RKEUIIKTUJCDAF-LURJTMIESA-N 0 0 245.181 2.405 20 5 BEBDRN C[C@@H](OC(=O)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000786508537 585893188 /nfs/dbraw/zinc/89/31/88/585893188.db2.gz RKEUIIKTUJCDAF-ZCFIWIBFSA-N 0 0 245.181 2.405 20 5 BEBDRN C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(F)F ZINC000786521388 585894075 /nfs/dbraw/zinc/89/40/75/585894075.db2.gz UYRVMCHMISGPTO-LURJTMIESA-N 0 0 245.181 2.405 20 5 BEBDRN CC1(C)CN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000788577186 585927327 /nfs/dbraw/zinc/92/73/27/585927327.db2.gz OEISTXGOSKASGA-UHFFFAOYSA-N 0 0 246.270 2.089 20 5 BEBDRN C[C@H](c1ccccc1F)N(C)CC[N+](=O)[O-] ZINC000791054615 585973199 /nfs/dbraw/zinc/97/31/99/585973199.db2.gz WHJBAIVTCGALHG-SECBINFHSA-N 0 0 226.251 2.095 20 5 BEBDRN C[C@@H](c1cccs1)N(C)CC[N+](=O)[O-] ZINC000791053213 585973259 /nfs/dbraw/zinc/97/32/59/585973259.db2.gz JIYXWSDNSPLBAT-QMMMGPOBSA-N 0 0 214.290 2.018 20 5 BEBDRN COc1ccc(OC(=O)C2=CCC2)cc1[N+](=O)[O-] ZINC000792588928 586003210 /nfs/dbraw/zinc/00/32/10/586003210.db2.gz BUBACUDIIHUGBL-UHFFFAOYSA-N 0 0 249.222 2.229 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1CCC(F)(F)CC1 ZINC000795271093 586072329 /nfs/dbraw/zinc/07/23/29/586072329.db2.gz JTHLBTWGRPWZGE-UHFFFAOYSA-N 0 0 243.213 2.225 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2cccnc2F)nc1 ZINC000795230093 586072951 /nfs/dbraw/zinc/07/29/51/586072951.db2.gz PJVACAMSWWVOCQ-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN CCCOC(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000796252240 586099742 /nfs/dbraw/zinc/09/97/42/586099742.db2.gz BFHJAJJCIPDTNR-UHFFFAOYSA-N 0 0 241.247 2.008 20 5 BEBDRN CN(Cc1ccoc1)c1cc(N)ccc1[N+](=O)[O-] ZINC000800847876 586233620 /nfs/dbraw/zinc/23/36/20/586233620.db2.gz NHRJSFZNTMBFTI-UHFFFAOYSA-N 0 0 247.254 2.406 20 5 BEBDRN C/C=C/C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000801091097 586241647 /nfs/dbraw/zinc/24/16/47/586241647.db2.gz NAPQYYMGMOMNKB-HWKANZROSA-N 0 0 248.282 2.172 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(C(=O)OCCF)c1F ZINC000803462862 586357987 /nfs/dbraw/zinc/35/79/87/586357987.db2.gz UGGBYVJNQUNYFH-UHFFFAOYSA-N 0 0 245.181 2.169 20 5 BEBDRN COC(C)(C)CNc1ccc(N)cc1[N+](=O)[O-] ZINC000804508734 586398220 /nfs/dbraw/zinc/39/82/20/586398220.db2.gz FVOHGGPXKMKVSW-UHFFFAOYSA-N 0 0 239.275 2.014 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1N1CC(F)C1 ZINC000804611034 586402759 /nfs/dbraw/zinc/40/27/59/586402759.db2.gz DWCUARQIEWZKBT-UHFFFAOYSA-N 0 0 230.626 2.406 20 5 BEBDRN CCc1ccc([N+](=O)[O-])cc1NC(=S)NC ZINC000811716187 586566053 /nfs/dbraw/zinc/56/60/53/586566053.db2.gz LDPOIOULZAXODT-UHFFFAOYSA-N 0 0 239.300 2.073 20 5 BEBDRN CC(C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812811763 586587207 /nfs/dbraw/zinc/58/72/07/586587207.db2.gz ILIKTWLPNSZRSW-UHFFFAOYSA-N 0 0 227.264 2.181 20 5 BEBDRN C[C@@H](COC(=O)C[C@@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813101539 586591902 /nfs/dbraw/zinc/59/19/02/586591902.db2.gz CZRQFZXJQLXRQA-OUAUKWLOSA-N 0 0 243.303 2.411 20 5 BEBDRN CCC(CC)CC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813102783 586591948 /nfs/dbraw/zinc/59/19/48/586591948.db2.gz VMGRMVVCLBCOJO-QMMMGPOBSA-N 0 0 217.265 2.021 20 5 BEBDRN Cc1ccc(C)c(C(=O)OC[C@@H](C)[N+](=O)[O-])c1 ZINC000813110029 586593240 /nfs/dbraw/zinc/59/32/40/586593240.db2.gz RBUZSMJHSRQPCS-SNVBAGLBSA-N 0 0 237.255 2.125 20 5 BEBDRN CCCCSCCC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813110476 586593414 /nfs/dbraw/zinc/59/34/14/586593414.db2.gz BLJCRGFZQMXEOR-VIFPVBQESA-N 0 0 249.332 2.118 20 5 BEBDRN C[C@@H](COC(=O)[C@H]1CCCCC1(C)C)[N+](=O)[O-] ZINC000813110691 586593422 /nfs/dbraw/zinc/59/34/22/586593422.db2.gz HOELKJFRLXYYQY-VHSXEESVSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)CC1(C(=O)OC[C@@H](C)[N+](=O)[O-])CCC1 ZINC000813111415 586593464 /nfs/dbraw/zinc/59/34/64/586593464.db2.gz GVLLFZWAOSEDAA-SNVBAGLBSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](CC(C)(C)C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813111944 586593761 /nfs/dbraw/zinc/59/37/61/586593761.db2.gz XYTYHJYJNYMKTP-RKDXNWHRSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@H](COC(=O)c1cc(Cl)cs1)[N+](=O)[O-] ZINC000813113964 586594005 /nfs/dbraw/zinc/59/40/05/586594005.db2.gz XCAPOHJCYVAUHX-RXMQYKEDSA-N 0 0 249.675 2.224 20 5 BEBDRN Cc1cccc(C(=O)OC[C@H](C)[N+](=O)[O-])c1C ZINC000813115190 586594228 /nfs/dbraw/zinc/59/42/28/586594228.db2.gz MJZWTCBBXKCSGC-VIFPVBQESA-N 0 0 237.255 2.125 20 5 BEBDRN C[C@H](COC(=O)C[C@@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000813115208 586594288 /nfs/dbraw/zinc/59/42/88/586594288.db2.gz MVYVNMRIJHDVDP-MXWKQRLJSA-N 0 0 243.303 2.411 20 5 BEBDRN CC1CC(OC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813232648 586598353 /nfs/dbraw/zinc/59/83/53/586598353.db2.gz WMQDYGJGETWZDB-UHFFFAOYSA-N 0 0 249.266 2.479 20 5 BEBDRN CC(C)c1ccoc1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814037074 586612094 /nfs/dbraw/zinc/61/20/94/586612094.db2.gz QQIVNKYJLDOWKP-QMMMGPOBSA-N 0 0 241.243 2.225 20 5 BEBDRN C[C@H](CC1CCCC1)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814040003 586612338 /nfs/dbraw/zinc/61/23/38/586612338.db2.gz AKZSZMNYPZSOKV-ZJUUUORDSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)CC1(C(=O)O[C@@H](C)C[N+](=O)[O-])CCC1 ZINC000814040738 586612345 /nfs/dbraw/zinc/61/23/45/586612345.db2.gz KNTKNWLUVAGKTO-JTQLQIEISA-N 0 0 243.303 2.411 20 5 BEBDRN CCC1(C(=O)O[C@H](C)C[N+](=O)[O-])CCCC1 ZINC000814040116 586612434 /nfs/dbraw/zinc/61/24/34/586612434.db2.gz DAJYVOMODSQBNY-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(Cl)cc1 ZINC000814043097 586612511 /nfs/dbraw/zinc/61/25/11/586612511.db2.gz AWFBUDLGOJTSER-ZETCQYMHSA-N 0 0 243.646 2.162 20 5 BEBDRN C/C(=C/C(=O)O[C@@H](C)C[N+](=O)[O-])c1ccccc1 ZINC000814041195 586612629 /nfs/dbraw/zinc/61/26/29/586612629.db2.gz QEKVQTPONLOROX-IEHMKBBKSA-N 0 0 249.266 2.298 20 5 BEBDRN Cc1scc(C(=O)O[C@@H](C)C[N+](=O)[O-])c1C ZINC000814045075 586612780 /nfs/dbraw/zinc/61/27/80/586612780.db2.gz MLNIFNJVHVUFPH-LURJTMIESA-N 0 0 243.284 2.187 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)CCC(C)(C)C ZINC000814044372 586612815 /nfs/dbraw/zinc/61/28/15/586612815.db2.gz FEMPWHXTOYXRMS-MRVPVSSYSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@H]1CCC[C@H]1C ZINC000814044389 586612873 /nfs/dbraw/zinc/61/28/73/586612873.db2.gz PHJWGKRQEATFQZ-OPRDCNLKSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCCC1(C)C ZINC000814050412 586613175 /nfs/dbraw/zinc/61/31/75/586613175.db2.gz XBEZKXBZSICHGA-NXEZZACHSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@@H](COC(=O)CC(C)(C)C1CC1)[N+](=O)[O-] ZINC000816090888 586706337 /nfs/dbraw/zinc/70/63/37/586706337.db2.gz BWRORMBHIUDMIR-QMMMGPOBSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](COC(=O)[C@@H]1CC2CCC1CC2)[N+](=O)[O-] ZINC000816090876 586707361 /nfs/dbraw/zinc/70/73/61/586707361.db2.gz BBGIVHFCHGNODZ-AGVGLQIMSA-N 0 0 241.287 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC2CCC1CC2 ZINC000816097303 586707987 /nfs/dbraw/zinc/70/79/87/586707987.db2.gz ZARKNSSUXNHACJ-AGVGLQIMSA-N 0 0 241.287 2.021 20 5 BEBDRN COC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000817038744 586779777 /nfs/dbraw/zinc/77/97/77/586779777.db2.gz DZLFGRRHXCRJHT-UHFFFAOYSA-N 0 0 238.243 2.186 20 5 BEBDRN C=C=CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000820586513 587056632 /nfs/dbraw/zinc/05/66/32/587056632.db2.gz KWMDZOHHQNJLCJ-UHFFFAOYSA-N 0 0 225.635 2.396 20 5 BEBDRN C[C@@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822134361 587155822 /nfs/dbraw/zinc/15/58/22/587155822.db2.gz MFTYIVCKMCJWIS-SNVBAGLBSA-N 0 0 242.319 2.080 20 5 BEBDRN CC(C)(CCC(=O)OC[C@]1(C)C[C@@H]1F)[N+](=O)[O-] ZINC000822149612 587156559 /nfs/dbraw/zinc/15/65/59/587156559.db2.gz FEYFIHGJVAPWLP-KWQFWETISA-N 0 0 247.266 2.113 20 5 BEBDRN CC1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822182726 587158032 /nfs/dbraw/zinc/15/80/32/587158032.db2.gz MGEHIDWSENTGPF-UHFFFAOYSA-N 0 0 242.319 2.080 20 5 BEBDRN C[C@@H]1CCCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822192561 587158583 /nfs/dbraw/zinc/15/85/83/587158583.db2.gz RIDCPBJLUXSDBB-SNVBAGLBSA-N 0 0 242.319 2.223 20 5 BEBDRN CC(C)[C@H](C)N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822403018 587165396 /nfs/dbraw/zinc/16/53/96/587165396.db2.gz OVBJDLCJDMVLSA-JTQLQIEISA-N 0 0 244.335 2.325 20 5 BEBDRN CC(C)CCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822428980 587167457 /nfs/dbraw/zinc/16/74/57/587167457.db2.gz RMVPABXNUVMHHI-UHFFFAOYSA-N 0 0 244.335 2.374 20 5 BEBDRN C[C@@H](C1CC1)N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822491647 587171506 /nfs/dbraw/zinc/17/15/06/587171506.db2.gz VJKQODFEVMIYPH-VIFPVBQESA-N 0 0 242.319 2.079 20 5 BEBDRN CC[C@H]1CCCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823051400 587199483 /nfs/dbraw/zinc/19/94/83/587199483.db2.gz ZNLDAMFZBYIPKJ-JTQLQIEISA-N 0 0 242.319 2.223 20 5 BEBDRN CC(C)=CC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000825655434 587329030 /nfs/dbraw/zinc/32/90/30/587329030.db2.gz NNSPJTRGVIDKFU-UHFFFAOYSA-N 0 0 248.282 2.486 20 5 BEBDRN C[C@@H]1CC[C@H](C)N1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826877718 587364760 /nfs/dbraw/zinc/36/47/60/587364760.db2.gz ZBJZOGHTLKMZQH-AOOOYVTPSA-N 0 0 242.319 2.221 20 5 BEBDRN C[C@@H]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000829681107 587508873 /nfs/dbraw/zinc/50/88/73/587508873.db2.gz NYJWPWWWBYPOPR-ZJUUUORDSA-N 0 0 242.319 2.127 20 5 BEBDRN O=[N+]([O-])c1cc([N+](=O)[O-])n(C2CCCCC2)n1 ZINC000829838245 587521951 /nfs/dbraw/zinc/52/19/51/587521951.db2.gz USYYBFBEYDFEFX-UHFFFAOYSA-N 0 0 240.219 2.205 20 5 BEBDRN CCON(CC)C(=O)c1ccccc1[N+](=O)[O-] ZINC000831496363 587614238 /nfs/dbraw/zinc/61/42/38/587614238.db2.gz RKSJHAULJWYQDI-UHFFFAOYSA-N 0 0 238.243 2.008 20 5 BEBDRN C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000833030203 587697635 /nfs/dbraw/zinc/69/76/35/587697635.db2.gz VKXKHOIQBUKWEW-VDDIYKPWSA-N 0 0 248.282 2.428 20 5 BEBDRN C[C@H]1C[C@@H]1COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835109973 587784115 /nfs/dbraw/zinc/78/41/15/587784115.db2.gz UAUBGQIVHIGRAG-DTWKUNHWSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H]1C[C@H]1COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835109974 587784178 /nfs/dbraw/zinc/78/41/78/587784178.db2.gz UAUBGQIVHIGRAG-IUCAKERBSA-N 0 0 229.276 2.021 20 5 BEBDRN CC(C)(CCC(=O)OCCC1CC1)[N+](=O)[O-] ZINC000835189643 587787634 /nfs/dbraw/zinc/78/76/34/587787634.db2.gz YCYMZBVYHUJMOW-UHFFFAOYSA-N 0 0 229.276 2.165 20 5 BEBDRN CC[C@H](CC(C)C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000835453864 587802951 /nfs/dbraw/zinc/80/29/51/587802951.db2.gz HNOWCUKBRIEUOI-NXEZZACHSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@H](COC(=O)[C@]1(C)CCC[C@@H]1C)[N+](=O)[O-] ZINC000835455080 587803132 /nfs/dbraw/zinc/80/31/32/587803132.db2.gz MJSFZRBULZKESO-IQJOONFLSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](COC(=O)[C@H]1CC[C@@H](C)[C@H](C)C1)[N+](=O)[O-] ZINC000835457086 587803242 /nfs/dbraw/zinc/80/32/42/587803242.db2.gz WTDCAOLBEQFAQO-DBIOUOCHSA-N 0 0 243.303 2.267 20 5 BEBDRN C[C@@H](COC(=O)[C@H]1CC[C@@H](C)[C@@H](C)C1)[N+](=O)[O-] ZINC000835457088 587803348 /nfs/dbraw/zinc/80/33/48/587803348.db2.gz WTDCAOLBEQFAQO-RCWTZXSCSA-N 0 0 243.303 2.267 20 5 BEBDRN CC[C@@H](CC(C)C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000835465896 587803654 /nfs/dbraw/zinc/80/36/54/587803654.db2.gz FTPHSHIOEMABPU-UWVGGRQHSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000835466989 587803658 /nfs/dbraw/zinc/80/36/58/587803658.db2.gz MUTKDFZNTVZYBN-LNFKQOIKSA-N 0 0 243.303 2.267 20 5 BEBDRN CC(C)CCCC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000835466709 587803745 /nfs/dbraw/zinc/80/37/45/587803745.db2.gz LFXJVUNIUUNTNE-VIFPVBQESA-N 0 0 217.265 2.021 20 5 BEBDRN Cc1cccc(C)c1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840671564 587915554 /nfs/dbraw/zinc/91/55/54/587915554.db2.gz XCZDTEKRMXEDAN-ZYHUDNBSSA-N 0 0 249.266 2.012 20 5 BEBDRN CC1=C(C)C[C@@H](C(=O)OC[C@@H](C)[N+](=O)[O-])CC1 ZINC000842801972 588065012 /nfs/dbraw/zinc/06/50/12/588065012.db2.gz OEJFELQLGCEVLV-MNOVXSKESA-N 0 0 241.287 2.331 20 5 BEBDRN Cc1cc(NC(=O)C2(F)CC2)ccc1[N+](=O)[O-] ZINC000843574705 588125273 /nfs/dbraw/zinc/12/52/73/588125273.db2.gz UPRVWFXEOLJSKH-UHFFFAOYSA-N 0 0 238.218 2.344 20 5 BEBDRN C[C@H](COC(=O)[C@H]1C[C@H]1C1CCCC1)[N+](=O)[O-] ZINC000845577043 588233751 /nfs/dbraw/zinc/23/37/51/588233751.db2.gz QZEHHZNCJXAMLY-MIMYLULJSA-N 0 0 241.287 2.021 20 5 BEBDRN C[C@H](COC(=O)[C@@H]1CC[C@@H](C)CC1)[N+](=O)[O-] ZINC000845577533 588233863 /nfs/dbraw/zinc/23/38/63/588233863.db2.gz VMRPSKXIWOEDRQ-OPRDCNLKSA-N 0 0 229.276 2.021 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@H]3[C@@H](C2)C3(F)F)s1 ZINC000845751329 588243748 /nfs/dbraw/zinc/24/37/48/588243748.db2.gz ATFMXOKQXPFUOH-OLQVQODUSA-N 0 0 246.238 2.358 20 5 BEBDRN CC(=O)O[C@@H](c1ccccc1F)[C@@H](C)[N+](=O)[O-] ZINC000845872513 588249434 /nfs/dbraw/zinc/24/94/34/588249434.db2.gz ISNNYTLHRUNGST-RDDDGLTNSA-N 0 0 241.218 2.095 20 5 BEBDRN C[C@H]1C[C@H]1C(N)=NOCc1cccc([N+](=O)[O-])c1 ZINC000848515293 588389105 /nfs/dbraw/zinc/38/91/05/588389105.db2.gz XAJXUXVJPZJQJY-GZMMTYOYSA-N 0 0 249.270 2.249 20 5 BEBDRN C[C@@H]1C[C@H]1C(N)=NOCc1ccccc1[N+](=O)[O-] ZINC000848519183 588390055 /nfs/dbraw/zinc/39/00/55/588390055.db2.gz MNLNOXBPNLMJRC-PSASIEDQSA-N 0 0 249.270 2.249 20 5 BEBDRN C[C@H]1C[C@H]1C(N)=NOCc1ccccc1[N+](=O)[O-] ZINC000848519186 588390646 /nfs/dbraw/zinc/39/06/46/588390646.db2.gz MNLNOXBPNLMJRC-WCBMZHEXSA-N 0 0 249.270 2.249 20 5 BEBDRN CCCC[C@@](C)(F)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000851035946 588585739 /nfs/dbraw/zinc/58/57/39/588585739.db2.gz ACPPUAZBWHKFEB-PSASIEDQSA-N 0 0 235.255 2.113 20 5 BEBDRN CC1=CC[C@](C)(C(=O)O[C@H](C)C[N+](=O)[O-])CC1 ZINC000851044073 588586682 /nfs/dbraw/zinc/58/66/82/588586682.db2.gz AUOPPZMDBVQZCV-PWSUYJOCSA-N 0 0 241.287 2.331 20 5 BEBDRN CC(C)(COC(=O)CC1CCCC1)[N+](=O)[O-] ZINC000851124353 588592209 /nfs/dbraw/zinc/59/22/09/588592209.db2.gz SPMWBUBYVFTBMK-UHFFFAOYSA-N 0 0 229.276 2.165 20 5 BEBDRN CC(C)(COC(=O)/C=C\c1ccccc1)[N+](=O)[O-] ZINC000851123865 588592319 /nfs/dbraw/zinc/59/23/19/588592319.db2.gz XEIUNDTWXVCPGM-HJWRWDBZSA-N 0 0 249.266 2.298 20 5 BEBDRN C[C@H]1CC[C@@H](CC(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851125590 588592590 /nfs/dbraw/zinc/59/25/90/588592590.db2.gz FGHJSAGNMUXVPU-VHSXEESVSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H]1CC[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851127780 588592822 /nfs/dbraw/zinc/59/28/22/588592822.db2.gz VWNFXFPBDQZPNY-IUCAKERBSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](COC(=O)c1ccc(C(F)F)o1)[N+](=O)[O-] ZINC000860777838 589119376 /nfs/dbraw/zinc/11/93/76/589119376.db2.gz XDUWJISJEWCOOV-RXMQYKEDSA-N 0 0 249.169 2.039 20 5 BEBDRN C[C@H](COC(=O)c1coc(C(F)F)c1)[N+](=O)[O-] ZINC000860777670 589119537 /nfs/dbraw/zinc/11/95/37/589119537.db2.gz SKYWHTNTGDASGL-RXMQYKEDSA-N 0 0 249.169 2.039 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1ccc(C(F)F)o1 ZINC000860788192 589120243 /nfs/dbraw/zinc/12/02/43/589120243.db2.gz RDGGFXMHCUVCOV-RXMQYKEDSA-N 0 0 249.169 2.039 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(C(F)F)o1 ZINC000860788195 589120409 /nfs/dbraw/zinc/12/04/09/589120409.db2.gz RDGGFXMHCUVCOV-YFKPBYRVSA-N 0 0 249.169 2.039 20 5 BEBDRN O=C(CCC1CCCC1)OCCC[N+](=O)[O-] ZINC000860911567 589131232 /nfs/dbraw/zinc/13/12/32/589131232.db2.gz PEZMNFAJYDLWJZ-UHFFFAOYSA-N 0 0 229.276 2.167 20 5 BEBDRN C[C@H]1CCCC[C@H]1CC(=O)OCCC[N+](=O)[O-] ZINC000860916041 589131489 /nfs/dbraw/zinc/13/14/89/589131489.db2.gz MDOBFGGHIDACOR-QWRGUYRKSA-N 0 0 243.303 2.413 20 5 BEBDRN CC(C)(C)CCCC(=O)OCCC[N+](=O)[O-] ZINC000860916102 589131692 /nfs/dbraw/zinc/13/16/92/589131692.db2.gz NCVFTDOBMQCOCW-UHFFFAOYSA-N 0 0 231.292 2.413 20 5 BEBDRN CCC[C@@H](C(=O)OCCC[N+](=O)[O-])C(C)C ZINC000860917872 589131825 /nfs/dbraw/zinc/13/18/25/589131825.db2.gz UZHBYWYDLYWUDF-SNVBAGLBSA-N 0 0 231.292 2.269 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])c1sccc1Cl ZINC000860918223 589132000 /nfs/dbraw/zinc/13/20/00/589132000.db2.gz BJCWJLJHDUQMAA-UHFFFAOYSA-N 0 0 249.675 2.225 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])[C@H]1CC2CCC1CC2 ZINC000860918368 589132045 /nfs/dbraw/zinc/13/20/45/589132045.db2.gz HYTUAWDNDONCQE-ILDUYXDCSA-N 0 0 241.287 2.023 20 5 BEBDRN CC1=C(C)C[C@H](C(=O)OCCC[N+](=O)[O-])CC1 ZINC000860919835 589132198 /nfs/dbraw/zinc/13/21/98/589132198.db2.gz XGBUUMXQJDBLTP-LLVKDONJSA-N 0 0 241.287 2.333 20 5 BEBDRN CC(C)CCCCC(=O)OCCC[N+](=O)[O-] ZINC000860918861 589132301 /nfs/dbraw/zinc/13/23/01/589132301.db2.gz FCBWRCNUEQVWOA-UHFFFAOYSA-N 0 0 231.292 2.413 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])c1cc(Cl)cs1 ZINC000860921537 589132489 /nfs/dbraw/zinc/13/24/89/589132489.db2.gz VUWGZSDAWUMDKN-UHFFFAOYSA-N 0 0 249.675 2.225 20 5 BEBDRN CC1(C(=O)OCCC[N+](=O)[O-])CCCCC1 ZINC000860920940 589132555 /nfs/dbraw/zinc/13/25/55/589132555.db2.gz JSXAOSUNRZCMTB-UHFFFAOYSA-N 0 0 229.276 2.167 20 5 BEBDRN CC1(C)CCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860921837 589132940 /nfs/dbraw/zinc/13/29/40/589132940.db2.gz XUQPZRDLLWEGJE-VIFPVBQESA-N 0 0 229.276 2.023 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])c1coc(C(F)F)c1 ZINC000860923464 589132992 /nfs/dbraw/zinc/13/29/92/589132992.db2.gz VYXBXXPBXIUXLN-UHFFFAOYSA-N 0 0 249.169 2.041 20 5 BEBDRN CC(F)(F)COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000861227645 589153175 /nfs/dbraw/zinc/15/31/75/589153175.db2.gz DYJUWMKPCDNPMV-UHFFFAOYSA-N 0 0 245.181 2.407 20 5 BEBDRN CC1(C)CCCC[C@@H]1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000861295383 589158010 /nfs/dbraw/zinc/15/80/10/589158010.db2.gz IKEGKKCQFLEVJZ-BBBLOLIVSA-N 0 0 241.287 2.164 20 5 BEBDRN CN(C(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000118794656 589194204 /nfs/dbraw/zinc/19/42/04/589194204.db2.gz KRMMRHMTSOXJIC-UHFFFAOYSA-N 0 0 248.160 2.120 20 5 BEBDRN O=[N+]([O-])c1cn(CCC(F)(F)Cl)cn1 ZINC000863280112 589276021 /nfs/dbraw/zinc/27/60/21/589276021.db2.gz OWVBZVRNONSHHC-UHFFFAOYSA-N 0 0 225.582 2.013 20 5 BEBDRN O=[N+]([O-])c1cnn(CC2CCCCCC2)n1 ZINC000863373952 589284798 /nfs/dbraw/zinc/28/47/98/589284798.db2.gz HGSGGWRJOCNCPS-UHFFFAOYSA-N 0 0 224.264 2.157 20 5 BEBDRN C[C@H]1C[C@H]1COc1ccc(N)c([N+](=O)[O-])c1 ZINC000863456071 589289308 /nfs/dbraw/zinc/28/93/08/589289308.db2.gz FTBDAISQBHJZOJ-YUMQZZPRSA-N 0 0 222.244 2.212 20 5 BEBDRN C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000865352236 589424091 /nfs/dbraw/zinc/42/40/91/589424091.db2.gz ZCPWCUHDSCEQNG-QMMMGPOBSA-N 0 0 211.265 2.474 20 5 BEBDRN CC(C)(C)SCCCn1cnc([N+](=O)[O-])n1 ZINC000865353109 589424163 /nfs/dbraw/zinc/42/41/63/589424163.db2.gz BHKBLSXHMNKETI-UHFFFAOYSA-N 0 0 244.320 2.108 20 5 BEBDRN O=[N+]([O-])c1sccc1N1CC[C@@H]2C[C@@H]21 ZINC000865756431 589461232 /nfs/dbraw/zinc/46/12/32/589461232.db2.gz NQQZRCYBQNKKBJ-SVRRBLITSA-N 0 0 210.258 2.255 20 5 BEBDRN CN(CCF)c1ccc([N+](=O)[O-])cc1F ZINC000865838937 589464272 /nfs/dbraw/zinc/46/42/72/589464272.db2.gz DLPKJENNNLNALA-UHFFFAOYSA-N 0 0 216.187 2.140 20 5 BEBDRN C[C@H](COC(=O)c1cscc1Cl)[N+](=O)[O-] ZINC000870376728 589661228 /nfs/dbraw/zinc/66/12/28/589661228.db2.gz LLUNJXFYFWTCFP-RXMQYKEDSA-N 0 0 249.675 2.224 20 5 BEBDRN CC(C)(C)[C@@H]1C[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000870467412 589666893 /nfs/dbraw/zinc/66/68/93/589666893.db2.gz FHRSMUCYFIEHOW-RKDXNWHRSA-N 0 0 243.303 2.267 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1C1CC(CF)(CF)C1 ZINC000871649057 589781965 /nfs/dbraw/zinc/78/19/65/589781965.db2.gz DCPDSLWWRXYIJI-UHFFFAOYSA-N 0 0 245.229 2.360 20 5 BEBDRN C[C@@H](NCCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872070442 589864275 /nfs/dbraw/zinc/86/42/75/589864275.db2.gz ZVTPVAFFLPCQGW-SSDOTTSWSA-N 0 0 230.214 2.354 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CC23CCC3)c(F)c1 ZINC000872775130 589968115 /nfs/dbraw/zinc/96/81/15/589968115.db2.gz QUFBFFSPUAJGBK-SECBINFHSA-N 0 0 237.234 2.483 20 5 BEBDRN C[C@@H](OC(=O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000873578789 590058936 /nfs/dbraw/zinc/05/89/36/590058936.db2.gz YGZWDGVLYVVDAM-ZCFIWIBFSA-N 0 0 245.181 2.464 20 5 BEBDRN CCCNC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000873747203 590070554 /nfs/dbraw/zinc/07/05/54/590070554.db2.gz JKXZSIQHCGOCNW-UHFFFAOYSA-N 0 0 236.271 2.351 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCC1CC1 ZINC000873917149 590078766 /nfs/dbraw/zinc/07/87/66/590078766.db2.gz OWMYPLHBXQKBSO-UHFFFAOYSA-N 0 0 248.282 2.351 20 5 BEBDRN O=C(N[C@H]1CC12CCC2)c1ccccc1[N+](=O)[O-] ZINC000874790237 590136662 /nfs/dbraw/zinc/13/66/62/590136662.db2.gz ZXDMMGUTLWTITC-NSHDSACASA-N 0 0 246.266 2.267 20 5 BEBDRN O=C(N[C@@H]1CC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000874791144 590137331 /nfs/dbraw/zinc/13/73/31/590137331.db2.gz HQWUHVDJQJLAHE-LLVKDONJSA-N 0 0 246.266 2.267 20 5 BEBDRN COC[C@H](Cn1cc([N+](=O)[O-])c(C)n1)C(C)C ZINC000877881582 590437486 /nfs/dbraw/zinc/43/74/86/590437486.db2.gz SRCXKDXXWOHHQM-JTQLQIEISA-N 0 0 241.291 2.018 20 5 BEBDRN O=C(NC[C@@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000881490397 591215216 /nfs/dbraw/zinc/21/52/16/591215216.db2.gz LVNMZNPHBMXHBL-SNVBAGLBSA-N 0 0 246.266 2.291 20 5 BEBDRN C[C@H]1CN(c2ccnc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000882036678 591290252 /nfs/dbraw/zinc/29/02/52/591290252.db2.gz JEHBISRUWDWFIS-YUMQZZPRSA-N 0 0 239.250 2.221 20 5 BEBDRN CC1(C)CCC[C@@H](Cn2cc([N+](=O)[O-])cn2)O1 ZINC000882093631 591296331 /nfs/dbraw/zinc/29/63/31/591296331.db2.gz AXNXRDATNPBOLK-JTQLQIEISA-N 0 0 239.275 2.139 20 5 BEBDRN CC1(C)CCC[C@H](Cn2cnc([N+](=O)[O-])c2)O1 ZINC000882092263 591296510 /nfs/dbraw/zinc/29/65/10/591296510.db2.gz BXXMZYKFDCSGHJ-SECBINFHSA-N 0 0 239.275 2.139 20 5 BEBDRN CC1(C)CCC[C@H](Cn2nccc2[N+](=O)[O-])O1 ZINC000882107311 591299428 /nfs/dbraw/zinc/29/94/28/591299428.db2.gz TUYBHDGZZQIDRT-SECBINFHSA-N 0 0 239.275 2.139 20 5 BEBDRN CN(CCC1CC1)c1ccnc(F)c1[N+](=O)[O-] ZINC000882121360 591301058 /nfs/dbraw/zinc/30/10/58/591301058.db2.gz HXOZPBWASLRHEF-UHFFFAOYSA-N 0 0 239.250 2.365 20 5 BEBDRN O=[N+]([O-])c1cnn(CC[C@@H]2CCCC2(F)F)n1 ZINC000882261556 591322757 /nfs/dbraw/zinc/32/27/57/591322757.db2.gz ILXOASBGUPCZID-ZETCQYMHSA-N 0 0 246.217 2.012 20 5 BEBDRN C[C@@H]1CC[C@@H]1Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882361232 591338100 /nfs/dbraw/zinc/33/81/00/591338100.db2.gz YHACAMBWFHSTEV-RQJHMYQMSA-N 0 0 225.223 2.339 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1N[C@H]1C=CCC1 ZINC000882602927 591397385 /nfs/dbraw/zinc/39/73/85/591397385.db2.gz ZZNWMCMHPRUVMN-ZETCQYMHSA-N 0 0 223.207 2.259 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1N[C@H]1CC12CCC2 ZINC000882720500 591420644 /nfs/dbraw/zinc/42/06/44/591420644.db2.gz YVPYTEROBZIDCF-QMMMGPOBSA-N 0 0 237.234 2.483 20 5 BEBDRN C[C@H](O)CSc1ccc(F)cc1[N+](=O)[O-] ZINC000882739011 591426270 /nfs/dbraw/zinc/42/62/70/591426270.db2.gz YTJYPVSHJQJXGZ-LURJTMIESA-N 0 0 231.248 2.207 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H](CF)C2)cn1 ZINC000882801603 591443839 /nfs/dbraw/zinc/44/38/39/591443839.db2.gz WJSUIKMXNLETNQ-VIFPVBQESA-N 0 0 239.250 2.176 20 5 BEBDRN Cc1cc(N2CCC(F)CC2)ncc1[N+](=O)[O-] ZINC000882806867 591446265 /nfs/dbraw/zinc/44/62/65/591446265.db2.gz VOTOTEIGUDHSGJ-UHFFFAOYSA-N 0 0 239.250 2.237 20 5 BEBDRN Cc1nc(N2CC[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC000882839767 591451036 /nfs/dbraw/zinc/45/10/36/591451036.db2.gz ATWJSWURMYDTMX-SECBINFHSA-N 0 0 239.250 2.094 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H](CF)C2)cc1 ZINC000882842423 591453245 /nfs/dbraw/zinc/45/32/45/591453245.db2.gz VZRPXDSGPMRRSF-SECBINFHSA-N 0 0 224.235 2.391 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](CF)C2)cc1 ZINC000882842424 591453389 /nfs/dbraw/zinc/45/33/89/591453389.db2.gz VZRPXDSGPMRRSF-VIFPVBQESA-N 0 0 224.235 2.391 20 5 BEBDRN COC[C@H]1C[C@@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000882906213 591472774 /nfs/dbraw/zinc/47/27/74/591472774.db2.gz RLAUCUQTFZTKJE-OCAPTIKFSA-N 0 0 242.300 2.493 20 5 BEBDRN C[C@@H](O)CCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000134055609 591879199 /nfs/dbraw/zinc/87/91/99/591879199.db2.gz PZPXKGINYBBVON-SSDOTTSWSA-N 0 0 245.662 2.398 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[C@@H]3C2)c1 ZINC000884588469 591988655 /nfs/dbraw/zinc/98/86/55/591988655.db2.gz IBKXLOMXKNROTA-DTORHVGOSA-N 0 0 234.255 2.060 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1N1C[C@@H]2C[C@@H]2C1 ZINC000884589638 591989035 /nfs/dbraw/zinc/98/90/35/591989035.db2.gz FUIBKQZVCIAPIR-OCAPTIKFSA-N 0 0 222.219 2.190 20 5 BEBDRN Cc1cc(N2C[C@@H]3C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000884591745 591990451 /nfs/dbraw/zinc/99/04/51/591990451.db2.gz YIHVHWGVSKPMPB-DTORHVGOSA-N 0 0 236.246 2.498 20 5 BEBDRN C/C=C\C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000887399714 592502409 /nfs/dbraw/zinc/50/24/09/592502409.db2.gz ZXNJHYSGRFZXPB-XICOKMJESA-N 0 0 248.282 2.391 20 5 BEBDRN C/C=C\C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000887399712 592502590 /nfs/dbraw/zinc/50/25/90/592502590.db2.gz ZXNJHYSGRFZXPB-NWPZZWLHSA-N 0 0 248.282 2.391 20 5 BEBDRN CC[C@H](O)CCNc1ccc([N+](=O)[O-])cc1C ZINC000127226203 631307989 /nfs/dbraw/zinc/30/79/89/631307989.db2.gz VTGSKCOSTJMGEX-NSHDSACASA-N 0 0 238.287 2.476 20 5 BEBDRN C[C@@H]1CCN(c2ccncc2[N+](=O)[O-])[C@H]1C ZINC000610588370 631502868 /nfs/dbraw/zinc/50/28/68/631502868.db2.gz JJMTVBZMRSXTDH-BDAKNGLRSA-N 0 0 221.260 2.225 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000610685425 631536901 /nfs/dbraw/zinc/53/69/01/631536901.db2.gz MSMUYXINDNYUNI-AOOOYVTPSA-N 0 0 233.271 2.226 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1N(C)CC(C)C ZINC000892085279 631724792 /nfs/dbraw/zinc/72/47/92/631724792.db2.gz BMBHYTFFDWAKEJ-UHFFFAOYSA-N 0 0 239.275 2.091 20 5 BEBDRN CCCOC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000310277832 632712670 /nfs/dbraw/zinc/71/26/70/632712670.db2.gz VKSAJCBZNFOGJN-UHFFFAOYSA-N 0 0 238.243 2.231 20 5 BEBDRN CC[C@@H](C)N(CCO)c1ccc([N+](=O)[O-])cc1 ZINC000310399679 632734137 /nfs/dbraw/zinc/73/41/37/632734137.db2.gz UEUZOKNBEGWJNY-SNVBAGLBSA-N 0 0 238.287 2.192 20 5 BEBDRN CC[C@H](C)N(CCO)c1ccc([N+](=O)[O-])cc1 ZINC000310399677 632734453 /nfs/dbraw/zinc/73/44/53/632734453.db2.gz UEUZOKNBEGWJNY-JTQLQIEISA-N 0 0 238.287 2.192 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccon1 ZINC000179518763 632740138 /nfs/dbraw/zinc/74/01/38/632740138.db2.gz HLAYYHVTHRMFNS-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN C[C@H](CNc1c([N+](=O)[O-])cnn1C)CC(F)F ZINC000894348148 635858598 /nfs/dbraw/zinc/85/85/98/635858598.db2.gz YXCUOECXLAUIRR-LURJTMIESA-N 0 0 248.233 2.032 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)CCF ZINC000892535987 632917774 /nfs/dbraw/zinc/91/77/74/632917774.db2.gz LJEGHRBFAIHTII-UHFFFAOYSA-N 0 0 227.191 2.168 20 5 BEBDRN C[C@@H](CNc1c([N+](=O)[O-])cnn1C)CC(F)F ZINC000894348149 635859205 /nfs/dbraw/zinc/85/92/05/635859205.db2.gz YXCUOECXLAUIRR-ZCFIWIBFSA-N 0 0 248.233 2.032 20 5 BEBDRN C[C@H]1CC[C@@H]1Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000310985343 633039539 /nfs/dbraw/zinc/03/95/39/633039539.db2.gz YQYBREHGSXBNRK-BQBZGAKWSA-N 0 0 248.242 2.341 20 5 BEBDRN C[C@@H]1CC[C@H]1Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000310985345 633040544 /nfs/dbraw/zinc/04/05/44/633040544.db2.gz YQYBREHGSXBNRK-RNFRBKRXSA-N 0 0 248.242 2.341 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@H]2CCC=CO2)s1 ZINC000309494754 633930131 /nfs/dbraw/zinc/93/01/31/633930131.db2.gz JWFKNVFEURKGAX-SSDOTTSWSA-N 0 0 241.272 2.156 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC2)c1C ZINC000895476573 636149655 /nfs/dbraw/zinc/14/96/55/636149655.db2.gz BOOZEJYWOYFGQH-UHFFFAOYSA-N 0 0 234.255 2.104 20 5 BEBDRN CCCOC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000094190696 635250394 /nfs/dbraw/zinc/25/03/94/635250394.db2.gz IZYWECSRKTXDNG-UHFFFAOYSA-N 0 0 245.181 2.440 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1OC[C@@H]1CCOC1 ZINC000106779004 635345596 /nfs/dbraw/zinc/34/55/96/635345596.db2.gz KCHXJDQEOLWUTK-MRVPVSSYSA-N 0 0 241.218 2.149 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1OC[C@H]1CCOC1 ZINC000106779009 635345823 /nfs/dbraw/zinc/34/58/23/635345823.db2.gz KCHXJDQEOLWUTK-QMMMGPOBSA-N 0 0 241.218 2.149 20 5 BEBDRN CO[C@@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000751967851 636481604 /nfs/dbraw/zinc/48/16/04/636481604.db2.gz KHVLEHGCTQBBFS-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN CCCNC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000006331304 636651166 /nfs/dbraw/zinc/65/11/66/636651166.db2.gz ZPMMVLYPPFKHRU-UHFFFAOYSA-N 0 0 239.300 2.291 20 5 BEBDRN Cc1c(COCc2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000902588116 637311813 /nfs/dbraw/zinc/31/18/13/637311813.db2.gz IDQPVEJFUJQNEF-UHFFFAOYSA-N 0 0 247.254 2.343 20 5 BEBDRN Cc1ccc(COCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000902588620 637313861 /nfs/dbraw/zinc/31/38/61/637313861.db2.gz NWIDACCZEIHTCG-UHFFFAOYSA-N 0 0 247.254 2.343 20 5 BEBDRN O=[N+]([O-])CCNc1ccc(F)c(Cl)c1 ZINC000905296163 637727453 /nfs/dbraw/zinc/72/74/53/637727453.db2.gz ZOUUQMAYXLUPIJ-UHFFFAOYSA-N 0 0 218.615 2.168 20 5 BEBDRN CSc1ccc(NCC[N+](=O)[O-])cc1 ZINC000905299453 637759650 /nfs/dbraw/zinc/75/96/50/637759650.db2.gz JYUVIXAVAIPDGO-UHFFFAOYSA-N 0 0 212.274 2.097 20 5 BEBDRN CCCOc1ccc(NCC[N+](=O)[O-])cc1F ZINC000905401201 637795775 /nfs/dbraw/zinc/79/57/75/637795775.db2.gz WUIYQDMQUTWAOC-UHFFFAOYSA-N 0 0 242.250 2.303 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2ncn3c2CCCC3)cn1 ZINC000906170287 638084759 /nfs/dbraw/zinc/08/47/59/638084759.db2.gz CTPRUHVFFLRAMU-UHFFFAOYSA-N 0 0 244.254 2.190 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC=CC1 ZINC000910020112 639337194 /nfs/dbraw/zinc/33/71/94/639337194.db2.gz FQUOEGBIXOHGMF-UHFFFAOYSA-N 0 0 246.266 2.224 20 5 BEBDRN CC[C@H](NCC[N+](=O)[O-])c1ccccc1OC ZINC000930200856 639636606 /nfs/dbraw/zinc/63/66/06/639636606.db2.gz LSWWISPHTYEDSS-NSHDSACASA-N 0 0 238.287 2.013 20 5 BEBDRN CCC[C@@H]1CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000912464239 640070231 /nfs/dbraw/zinc/07/02/31/640070231.db2.gz QVIDWDAUXCQXJS-SECBINFHSA-N 0 0 236.275 2.154 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000151182690 640327838 /nfs/dbraw/zinc/32/78/38/640327838.db2.gz ASWVEEFNGSZDMV-ONGXEEELSA-N 0 0 249.266 2.337 20 5 BEBDRN CCCOC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000164849477 640510857 /nfs/dbraw/zinc/51/08/57/640510857.db2.gz ZTAFNXHDLCQHIP-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN C[C@@H]1CCC(=O)CN1Cc1ccccc1[N+](=O)[O-] ZINC000932866361 640630279 /nfs/dbraw/zinc/63/02/79/640630279.db2.gz LDFLHASTAOKDCQ-SNVBAGLBSA-N 0 0 248.282 2.148 20 5 BEBDRN CCCC(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000060794620 640889099 /nfs/dbraw/zinc/88/90/99/640889099.db2.gz URAUJUOLJPWPFN-UHFFFAOYSA-N 0 0 237.255 2.481 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1OCc1ccno1 ZINC000061290511 640949746 /nfs/dbraw/zinc/94/97/46/640949746.db2.gz OIWSBWDIAJVKQW-UHFFFAOYSA-N 0 0 238.174 2.301 20 5 BEBDRN C[Si](C)(C)COc1cccnc1[N+](=O)[O-] ZINC000171791910 641012771 /nfs/dbraw/zinc/01/27/71/641012771.db2.gz TXRHPFBWNOMNBN-UHFFFAOYSA-N 0 0 226.308 2.246 20 5 BEBDRN CC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1N ZINC000062823911 641095297 /nfs/dbraw/zinc/09/52/97/641095297.db2.gz MRJXKZFCORIREK-ZETCQYMHSA-N 0 0 238.243 2.132 20 5 BEBDRN O=C(Cc1cccc([N+](=O)[O-])c1)OCC1CCC1 ZINC000173502343 641180933 /nfs/dbraw/zinc/18/09/33/641180933.db2.gz JXUMZYRNGHCANI-UHFFFAOYSA-N 0 0 249.266 2.481 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(S[C@H](C)CCO)n1 ZINC000088036484 641259397 /nfs/dbraw/zinc/25/93/97/641259397.db2.gz ZIOWIBXCEGRYSJ-MRVPVSSYSA-N 0 0 242.300 2.161 20 5 BEBDRN CC(C)[C@H](O)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000917339398 642043190 /nfs/dbraw/zinc/04/31/90/642043190.db2.gz MCETZFIFTNCJLI-LLVKDONJSA-N 0 0 243.234 2.130 20 5 BEBDRN Cc1ncc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)o1 ZINC000917486105 642066987 /nfs/dbraw/zinc/06/69/87/642066987.db2.gz YSYSOHZIICMIAR-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN COc1ccc(C)cc1Cn1ccnc1[N+](=O)[O-] ZINC000918343733 642188225 /nfs/dbraw/zinc/18/82/25/642188225.db2.gz UNQRDBATEBBRLF-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN Cc1ccc(C)c(Cn2ccnc2[N+](=O)[O-])c1 ZINC000918343448 642190208 /nfs/dbraw/zinc/19/02/08/642190208.db2.gz PSUVANLZMDZIPC-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CC(C)(C)SCCn1ccnc1[N+](=O)[O-] ZINC000918377035 642192160 /nfs/dbraw/zinc/19/21/60/642192160.db2.gz AAOAGYZZMJDXTR-UHFFFAOYSA-N 0 0 229.305 2.323 20 5 BEBDRN O=[N+]([O-])c1nccn1CC[C@@H]1C[C@H]1C1CC1 ZINC000918396854 642193371 /nfs/dbraw/zinc/19/33/71/642193371.db2.gz OLKYLXADYXKSRP-ZJUUUORDSA-N 0 0 221.260 2.228 20 5 BEBDRN O=[N+]([O-])c1nccn1C[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000918388263 642195410 /nfs/dbraw/zinc/19/54/10/642195410.db2.gz YDSJCTCZSMMBGB-VWYCJHECSA-N 0 0 233.271 2.394 20 5 BEBDRN O=[N+]([O-])c1nccn1CCCC1CCC1 ZINC000918387707 642195498 /nfs/dbraw/zinc/19/54/98/642195498.db2.gz ROMRWWQDRSFTMT-UHFFFAOYSA-N 0 0 209.249 2.372 20 5 BEBDRN O=[N+]([O-])c1nccn1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000918387512 642196225 /nfs/dbraw/zinc/19/62/25/642196225.db2.gz PRYRLOKEABTDSB-BBBLOLIVSA-N 0 0 221.260 2.228 20 5 BEBDRN Cc1c(C(=O)OCC(F)F)cccc1[N+](=O)[O-] ZINC000064607809 642682280 /nfs/dbraw/zinc/68/22/80/642682280.db2.gz KUBGUGMLFKWSDA-UHFFFAOYSA-N 0 0 245.181 2.325 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](F)C2)cc1 ZINC000238528528 642817747 /nfs/dbraw/zinc/81/77/47/642817747.db2.gz OAOYKDFLDZXVEX-MRVPVSSYSA-N 0 0 210.208 2.143 20 5 BEBDRN CC(=O)Oc1cc([N+](=O)[O-])ccc1Cl ZINC000196637964 642886704 /nfs/dbraw/zinc/88/67/04/642886704.db2.gz CHTWSWZPPXAGGT-UHFFFAOYSA-N 0 0 215.592 2.174 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1OC(=O)C(C)C ZINC000070747527 643068633 /nfs/dbraw/zinc/06/86/33/643068633.db2.gz JIDDXKJAYUBTBF-UHFFFAOYSA-N 0 0 239.227 2.165 20 5 BEBDRN CC[C@@H](O)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000229994262 643227134 /nfs/dbraw/zinc/22/71/34/643227134.db2.gz BECHCAILHACALI-MRVPVSSYSA-N 0 0 244.678 2.431 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C(C)C)c1 ZINC000306055169 643285148 /nfs/dbraw/zinc/28/51/48/643285148.db2.gz VBJCDCQIKSVJFE-NSHDSACASA-N 0 0 239.271 2.299 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H]3C[C@@H]32)c1 ZINC000804781482 643362047 /nfs/dbraw/zinc/36/20/47/643362047.db2.gz HWCSZEVCHNBNQO-KCJUWKMLSA-N 0 0 233.271 2.166 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1C/C(Cl)=C\Cl ZINC000255075672 643409301 /nfs/dbraw/zinc/40/93/01/643409301.db2.gz CTAOJGOCOWEYOH-ZZXKWVIFSA-N 0 0 249.053 2.076 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CSC2)cc1 ZINC000307398582 643458019 /nfs/dbraw/zinc/45/80/19/643458019.db2.gz YPACDPDNHGEUPW-UHFFFAOYSA-N 0 0 210.258 2.122 20 5 BEBDRN O=C(OCC(F)F)c1cc(F)ccc1[N+](=O)[O-] ZINC000733470392 643461801 /nfs/dbraw/zinc/46/18/01/643461801.db2.gz UIZCHNZBWHFMIT-UHFFFAOYSA-N 0 0 249.144 2.156 20 5 BEBDRN CCCOC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000050017117 643577293 /nfs/dbraw/zinc/57/72/93/643577293.db2.gz WZGFTZZXZVZRKY-UHFFFAOYSA-N 0 0 245.181 2.440 20 5 BEBDRN O=C(CC(F)(F)F)Oc1cccc([N+](=O)[O-])c1 ZINC000193028379 644208693 /nfs/dbraw/zinc/20/86/93/644208693.db2.gz JBPIWIGOXULACX-UHFFFAOYSA-N 0 0 249.144 2.453 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(F)F ZINC000193056113 644209677 /nfs/dbraw/zinc/20/96/77/644209677.db2.gz KATSJBYSCGTMDS-UHFFFAOYSA-N 0 0 230.170 2.107 20 5 BEBDRN CCCOC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147539 644511423 /nfs/dbraw/zinc/51/14/23/644511423.db2.gz ULBBFJWEOLUGHB-UHFFFAOYSA-N 0 0 223.228 2.470 20 5 BEBDRN C/C=C(/C)COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000842846233 645253809 /nfs/dbraw/zinc/25/38/09/645253809.db2.gz NAGCGUUYYWNEAX-UITAMQMPSA-N 0 0 229.276 2.331 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1cccc(C2CC2)c1 ZINC000847715351 645433713 /nfs/dbraw/zinc/43/37/13/645433713.db2.gz GNNUTPVYNKFQTP-VIFPVBQESA-N 0 0 249.266 2.386 20 5 BEBDRN CC(C)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929087623 645933034 /nfs/dbraw/zinc/93/30/34/645933034.db2.gz CNWQVHZDWIXNMK-VXGBXAGGSA-N 0 0 248.282 2.223 20 5 BEBDRN Cc1ccccc1[C@H](C)[N@H+](C)CC[N+](=O)[O-] ZINC000929326753 646082349 /nfs/dbraw/zinc/08/23/49/646082349.db2.gz XGRDQFGTEWICSU-NSHDSACASA-N 0 0 222.288 2.265 20 5 BEBDRN Cc1ccccc1CN(CC[N+](=O)[O-])C1CC1 ZINC000929368088 646102031 /nfs/dbraw/zinc/10/20/31/646102031.db2.gz JEBGAMYJIKMTPB-UHFFFAOYSA-N 0 0 234.299 2.236 20 5 BEBDRN Cc1nc(C)c([C@@H](C)N(C)CC[N+](=O)[O-])s1 ZINC000929599790 646191342 /nfs/dbraw/zinc/19/13/42/646191342.db2.gz GWYVSDJBRPZPHK-MRVPVSSYSA-N 0 0 243.332 2.029 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC23CCC3)cn1 ZINC000721225438 712899520 /nfs/dbraw/zinc/89/95/20/712899520.db2.gz FXJZRWSXXFOXPI-SECBINFHSA-N 0 0 219.244 2.344 20 5 BEBDRN O=[N+]([O-])c1ncccc1N[C@H]1CC12CCC2 ZINC000721224578 712899561 /nfs/dbraw/zinc/89/95/61/712899561.db2.gz CWGUJPUBLWTUDS-VIFPVBQESA-N 0 0 219.244 2.344 20 5 BEBDRN C[C@@H]1C[C@H]1COc1ccc([N+](=O)[O-])cc1C=O ZINC000722674309 711463546 /nfs/dbraw/zinc/46/35/46/711463546.db2.gz MGOMYTHTKWJBMJ-SCZZXKLOSA-N 0 0 235.239 2.442 20 5 BEBDRN C[C@H]1C[C@@H]1COc1ccc([N+](=O)[O-])cc1C=O ZINC000722674310 711463752 /nfs/dbraw/zinc/46/37/52/711463752.db2.gz MGOMYTHTKWJBMJ-WCBMZHEXSA-N 0 0 235.239 2.442 20 5 BEBDRN Cc1ccc(N[C@H]2CC23CC(O)C3)c([N+](=O)[O-])c1 ZINC000724989443 711641102 /nfs/dbraw/zinc/64/11/02/711641102.db2.gz DKZHLUYWXILMSZ-YHECAPGISA-N 0 0 248.282 2.229 20 5 BEBDRN Cc1cccc(N[C@@H]2CC23CC(O)C3)c1[N+](=O)[O-] ZINC000724990932 711641444 /nfs/dbraw/zinc/64/14/44/711641444.db2.gz QTRKLHBXVMBZFG-DMLGSKKGSA-N 0 0 248.282 2.229 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2C=CCC2)cn1 ZINC000700488599 711994325 /nfs/dbraw/zinc/99/43/25/711994325.db2.gz IIIILUNJXQRWKQ-QMMMGPOBSA-N 0 0 205.217 2.120 20 5 BEBDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000716634536 712568290 /nfs/dbraw/zinc/56/82/90/712568290.db2.gz BRMONLOIXSASMU-DEKFOEGESA-N 0 0 248.286 2.089 20 5 BEBDRN CCCOC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037373588 712578084 /nfs/dbraw/zinc/57/80/84/712578084.db2.gz KHCFOBWSWGFPMV-UHFFFAOYSA-N 0 0 227.191 2.301 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC[C@@H]2CC[C@@H]3C[C@@H]32)nc1 ZINC000717159155 712637740 /nfs/dbraw/zinc/63/77/40/712637740.db2.gz VOQMITYDYVXYOP-IQJOONFLSA-N 0 0 248.286 2.233 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@]23C[C@H]2COC3)c1 ZINC000717964379 712735710 /nfs/dbraw/zinc/73/57/10/712735710.db2.gz FQEWEHSMOBNKRD-CABZTGNLSA-N 0 0 234.255 2.104 20 5 BEBDRN COC[C@H](C)OCCc1ccc([N+](=O)[O-])cc1 ZINC001224330307 964544791 /nfs/dbraw/zinc/54/47/91/964544791.db2.gz FXVRZLOZRSSTPV-JTQLQIEISA-N 0 0 239.271 2.189 20 5 BEBDRN O=[N+]([O-])c1cc(O[C@H]2C=CCC2)ccn1 ZINC001233857424 965600134 /nfs/dbraw/zinc/60/01/34/965600134.db2.gz LIUUUJMJCQRTOU-QMMMGPOBSA-N 0 0 206.201 2.087 20 5 BEBDRN Cc1nc(N(C(C)C)C(C)C)ncc1[N+](=O)[O-] ZINC001163576740 968069060 /nfs/dbraw/zinc/06/90/60/968069060.db2.gz OZHZTNMZZJTAHD-UHFFFAOYSA-N 0 0 238.291 2.316 20 5 BEBDRN O=[N+]([O-])c1c(Cl)ccnc1N1CC=CC1 ZINC001163915842 968135359 /nfs/dbraw/zinc/13/53/59/968135359.db2.gz RDAPINDDYVBZRE-UHFFFAOYSA-N 0 0 225.635 2.019 20 5 BEBDRN Cc1nnc(-c2cnc(Cl)c([N+](=O)[O-])c2)o1 ZINC001253437423 969175115 /nfs/dbraw/zinc/17/51/15/969175115.db2.gz WEKSBRAKYCEZBY-UHFFFAOYSA-N 0 0 240.606 2.002 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1O[C@H](C)C1CC1 ZINC001226760435 975061773 /nfs/dbraw/zinc/06/17/73/975061773.db2.gz JSGOIOJUWBLNBD-MRVPVSSYSA-N 0 0 222.244 2.476 20 5 BEBDRN COCCO[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001204971286 1167107133 /nfs/dbraw/zinc/10/71/33/1167107133.db2.gz SPQJCEAMUDSFDD-SECBINFHSA-N 0 0 225.244 2.319 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1cc(Cl)sn1)C1CC1 ZINC001227374908 975378470 /nfs/dbraw/zinc/37/84/70/975378470.db2.gz YKYQCAQKQXBMKP-ZCFIWIBFSA-N 0 0 248.691 2.231 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CC=C(Cl)Cl ZINC001333278077 975612226 /nfs/dbraw/zinc/61/22/26/975612226.db2.gz OGVFBVRJXZMVHI-UHFFFAOYSA-N 0 0 236.058 2.419 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2nccs2)cn1 ZINC001203561044 979784866 /nfs/dbraw/zinc/78/48/66/979784866.db2.gz TYUCDPYDGIRFJG-UHFFFAOYSA-N 0 0 222.229 2.190 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)/C=C/C1CCCC1 ZINC001344401135 980387691 /nfs/dbraw/zinc/38/76/91/980387691.db2.gz BRSZTZNLMABPCQ-AEZGRPFRSA-N 0 0 241.287 2.331 20 5 BEBDRN O=[N+]([O-])c1cnc(NC/C=C\Cl)s1 ZINC001187823617 980557148 /nfs/dbraw/zinc/55/71/48/980557148.db2.gz FJVDNMXLKYBSML-UPHRSURJSA-N 0 0 219.653 2.216 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C(C)(CC)CC ZINC001345689216 980670647 /nfs/dbraw/zinc/67/06/47/980670647.db2.gz FHTZXFKMUACOGK-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C(C1CC1)C1CC1 ZINC001346196991 980783010 /nfs/dbraw/zinc/78/30/10/980783010.db2.gz JHZZGVUDQWAWMX-SNVBAGLBSA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(F)cc1 ZINC001347430901 981078125 /nfs/dbraw/zinc/07/81/25/981078125.db2.gz RJRPOVAGILJVGL-JTQLQIEISA-N 0 0 241.218 2.038 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001123256380 1169335852 /nfs/dbraw/zinc/33/58/52/1169335852.db2.gz OTZIWRYPJYMGOB-OPRDCNLKSA-N 0 0 247.266 2.113 20 5 BEBDRN C[C@H]1C[C@@H]1c1nnc(-c2ccc([N+](=O)[O-])nc2)o1 ZINC001256619506 970885719 /nfs/dbraw/zinc/88/57/19/970885719.db2.gz XHTCKKMEEVNKIL-XPUUQOCRSA-N 0 0 246.226 2.163 20 5 BEBDRN C[C@H](OC1CC(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC001217849571 971441181 /nfs/dbraw/zinc/44/11/81/971441181.db2.gz LQHOWOKKARLZJX-RKWZHAFESA-N 0 0 237.255 2.196 20 5 BEBDRN CCCC=Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001170763164 971749460 /nfs/dbraw/zinc/74/94/60/971749460.db2.gz CHBGGBRNOJRQPH-ONEGZZNKSA-N 0 0 243.650 2.217 20 5 BEBDRN CCCC=Nc1nc(OC)ccc1[N+](=O)[O-] ZINC001170763267 971749494 /nfs/dbraw/zinc/74/94/94/971749494.db2.gz DIRIDODMPHCMER-QPJJXVBHSA-N 0 0 223.232 2.334 20 5 BEBDRN CCCC=Nc1nc(C)nc(OC)c1[N+](=O)[O-] ZINC001170766394 971762022 /nfs/dbraw/zinc/76/20/22/971762022.db2.gz HTUJQYAIFQWTMD-AATRIKPKSA-N 0 0 238.247 2.037 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC[C@H]2C[C@H](O)C2)c1 ZINC001218423815 971800081 /nfs/dbraw/zinc/80/00/81/971800081.db2.gz BJCLPUROIKXLCV-MGCOHNPYSA-N 0 0 237.255 2.053 20 5 BEBDRN CC(C)(C)c1nnc(CCC(C)(C)[N+](=O)[O-])o1 ZINC001327349756 972545879 /nfs/dbraw/zinc/54/58/79/972545879.db2.gz WVLZCILBEWJBGW-UHFFFAOYSA-N 0 0 241.291 2.355 20 5 BEBDRN CSCCCNc1c(C)cncc1[N+](=O)[O-] ZINC000309926904 971882349 /nfs/dbraw/zinc/88/23/49/971882349.db2.gz VTGSHYMXZSNYOZ-UHFFFAOYSA-N 0 0 241.316 2.463 20 5 BEBDRN CO[C@H](C)COc1cc(Cl)cnc1[N+](=O)[O-] ZINC001233716986 1169691142 /nfs/dbraw/zinc/69/11/42/1169691142.db2.gz SVFNOURGFBONRJ-ZCFIWIBFSA-N 0 0 246.650 2.057 20 5 BEBDRN CCCC=Nc1ncc([N+](=O)[O-])c(C)n1 ZINC001159669150 972012772 /nfs/dbraw/zinc/01/27/72/972012772.db2.gz MPXIYBUIZPOCGT-SNAWJCMRSA-N 0 0 208.221 2.029 20 5 BEBDRN CN(C[C@@H]1CC1(C)C)c1cccc([N+](=O)[O-])n1 ZINC001167093151 957280235 /nfs/dbraw/zinc/28/02/35/957280235.db2.gz XOCHDUGNMLCKJD-VIFPVBQESA-N 0 0 235.287 2.472 20 5 BEBDRN O=C1CC(Nc2cc3cc[nH]c3c([N+](=O)[O-])c2)C1 ZINC001167341665 957800916 /nfs/dbraw/zinc/80/09/16/957800916.db2.gz ZKQLPSZRSUQQON-UHFFFAOYSA-N 0 0 245.238 2.220 20 5 BEBDRN O=C1CC(Nc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001167341301 957801573 /nfs/dbraw/zinc/80/15/73/957801573.db2.gz RCMLODIQZQCMRP-UHFFFAOYSA-N 0 0 242.181 2.016 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(NC2CC(=O)C2)c1F ZINC001167344559 957822948 /nfs/dbraw/zinc/82/29/48/957822948.db2.gz QVAWRVYJQMGPPM-UHFFFAOYSA-N 0 0 238.218 2.186 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1Nc1ccncn1 ZINC001210950579 957958556 /nfs/dbraw/zinc/95/85/56/957958556.db2.gz YORKSMVQLYLROV-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC[C@@H](O)C2CC2)c1 ZINC000402427207 958223612 /nfs/dbraw/zinc/22/36/12/958223612.db2.gz KPIJWHBRGGMQJI-LLVKDONJSA-N 0 0 237.255 2.053 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1cscc1C ZINC001349806094 958837282 /nfs/dbraw/zinc/83/72/82/958837282.db2.gz QZNZKFKFNUFBRZ-MRVPVSSYSA-N 0 0 243.284 2.269 20 5 BEBDRN CC(=O)CNc1cc(F)cc([N+](=O)[O-])c1C ZINC001167629232 959126367 /nfs/dbraw/zinc/12/63/67/959126367.db2.gz IPOJJMVWIBUSOL-UHFFFAOYSA-N 0 0 226.207 2.043 20 5 BEBDRN CC(C)O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001204605410 959249185 /nfs/dbraw/zinc/24/91/85/959249185.db2.gz UHARQRVYEMPMFD-GFCCVEGCSA-N 0 0 221.256 2.487 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC[C@H]1C[C@H](O)C1 ZINC001218426296 960087871 /nfs/dbraw/zinc/08/78/71/960087871.db2.gz RFIMIZPMWMDLFM-MGCOHNPYSA-N 0 0 237.255 2.053 20 5 BEBDRN CCO[C@@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001204944675 962119137 /nfs/dbraw/zinc/11/91/37/962119137.db2.gz KFZPMVZMEUNRNL-ZETCQYMHSA-N 0 0 239.227 2.421 20 5 BEBDRN Cc1nnc(/C=C/c2ccc([N+](=O)[O-])o2)o1 ZINC001253392739 1169803617 /nfs/dbraw/zinc/80/36/17/1169803617.db2.gz RUSNOCZRFPVDQM-DUXPYHPUSA-N 0 0 221.172 2.050 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC[C@@]12C[C@@H]1CCCC2 ZINC000710481501 962395713 /nfs/dbraw/zinc/39/57/13/962395713.db2.gz KAOCLZWVYZCAJD-GXFFZTMASA-N 0 0 247.298 2.404 20 5 BEBDRN CCCCNc1ncc(OC)cc1[N+](=O)[O-] ZINC001154827930 962862196 /nfs/dbraw/zinc/86/21/96/962862196.db2.gz WHGULCIKNBUHIQ-UHFFFAOYSA-N 0 0 225.248 2.210 20 5 BEBDRN CC(C)(C)CNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001161641970 962954184 /nfs/dbraw/zinc/95/41/84/962954184.db2.gz QRLAAWHUZFJWOC-UHFFFAOYSA-N 0 0 249.274 2.096 20 5 BEBDRN CC(=O)c1cc(OC2CC2)ccc1[N+](=O)[O-] ZINC000713168797 963098022 /nfs/dbraw/zinc/09/80/22/963098022.db2.gz BCSHJSBYNVWYTP-UHFFFAOYSA-N 0 0 221.212 2.339 20 5 BEBDRN CC(C)(C)CCNc1cnc([N+](=O)[O-])cn1 ZINC001161676197 963174142 /nfs/dbraw/zinc/17/41/42/963174142.db2.gz SYLCJHGNASVMKJ-UHFFFAOYSA-N 0 0 224.264 2.233 20 5 BEBDRN CC[C@H](C)Nc1ncc([N+](=O)[O-])cc1OC ZINC001168000050 963217762 /nfs/dbraw/zinc/21/77/62/963217762.db2.gz PKXQWZUIFWSEDH-ZETCQYMHSA-N 0 0 225.248 2.209 20 5 BEBDRN CC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1OC ZINC001168000048 963220392 /nfs/dbraw/zinc/22/03/92/963220392.db2.gz PKXQWZUIFWSEDH-SSDOTTSWSA-N 0 0 225.248 2.209 20 5 BEBDRN CC(C)(C)C(=O)CNc1cc([N+](=O)[O-])ccn1 ZINC001156054222 963241697 /nfs/dbraw/zinc/24/16/97/963241697.db2.gz QELVOIHTJPNNHT-UHFFFAOYSA-N 0 0 237.259 2.017 20 5 BEBDRN CC[C@@H](C)Nc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001168004617 963250249 /nfs/dbraw/zinc/25/02/49/963250249.db2.gz ZPWYEWYLYSFTOQ-SSDOTTSWSA-N 0 0 249.270 2.049 20 5 BEBDRN Cc1nc(N2C[C@H](C)CC23CC3)ncc1[N+](=O)[O-] ZINC001156426648 963346219 /nfs/dbraw/zinc/34/62/19/963346219.db2.gz SKECTWLQNHKYNI-MRVPVSSYSA-N 0 0 248.286 2.072 20 5 BEBDRN CCOC[C@@H](C)Oc1nc(C)ccc1[N+](=O)[O-] ZINC001227062480 963449457 /nfs/dbraw/zinc/44/94/57/963449457.db2.gz NRIOIMOFMZTWTF-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN CCCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC001157357294 963581334 /nfs/dbraw/zinc/58/13/34/963581334.db2.gz FOOXLEPLHPTTRT-UHFFFAOYSA-N 0 0 209.249 2.429 20 5 BEBDRN CCCNc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001157361616 963584135 /nfs/dbraw/zinc/58/41/35/963584135.db2.gz PJKGHNVOMQYGAU-UHFFFAOYSA-N 0 0 220.232 2.293 20 5 BEBDRN CC(C)[C@H](C)Oc1cnccc1[N+](=O)[O-] ZINC001228879654 963901587 /nfs/dbraw/zinc/90/15/87/963901587.db2.gz JBSCDNWNYSLSIR-QMMMGPOBSA-N 0 0 210.233 2.413 20 5 BEBDRN CCC1(Nc2nc(C)ncc2[N+](=O)[O-])CCC1 ZINC001161562836 964642264 /nfs/dbraw/zinc/64/22/64/964642264.db2.gz RUQVFFDBPILIPJ-UHFFFAOYSA-N 0 0 236.275 2.438 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(N[C@H]2CC=CCC2)n1 ZINC001161751408 964737863 /nfs/dbraw/zinc/73/78/63/964737863.db2.gz DKLSUOZSOHHOBA-VIFPVBQESA-N 0 0 234.259 2.214 20 5 BEBDRN Cc1c(NCC2COC2)cc(F)cc1[N+](=O)[O-] ZINC001161947715 964826664 /nfs/dbraw/zinc/82/66/64/964826664.db2.gz WVXLHSHDYGEWSU-UHFFFAOYSA-N 0 0 240.234 2.101 20 5 BEBDRN COc1cnc(NCC(C)(F)F)cc1[N+](=O)[O-] ZINC001162230936 964885660 /nfs/dbraw/zinc/88/56/60/964885660.db2.gz XHNHEUQIDZFKET-UHFFFAOYSA-N 0 0 247.201 2.066 20 5 BEBDRN COc1cc(NCC(C)(F)F)cnc1[N+](=O)[O-] ZINC001162233294 964886245 /nfs/dbraw/zinc/88/62/45/964886245.db2.gz ULZGRFWHFUAJQP-UHFFFAOYSA-N 0 0 247.201 2.066 20 5 BEBDRN CC(C)(C)CCO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001224724669 964909345 /nfs/dbraw/zinc/90/93/45/964909345.db2.gz JGEKJXXDVUYGJJ-JTQLQIEISA-N 0 0 215.293 2.495 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2C=CCC2)s1 ZINC000698188179 965092827 /nfs/dbraw/zinc/09/28/27/965092827.db2.gz APLUSCPCSRXGQN-LURJTMIESA-N 0 0 211.246 2.182 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1C=CCC1 ZINC000698296773 965185293 /nfs/dbraw/zinc/18/52/93/965185293.db2.gz XKGBNBUYLJPDTA-VIFPVBQESA-N 0 0 236.275 2.250 20 5 BEBDRN Cc1cnc(N[C@H](C)c2ccno2)c([N+](=O)[O-])c1 ZINC001163207614 965299687 /nfs/dbraw/zinc/29/96/87/965299687.db2.gz QMRFUECKSDLAMP-MRVPVSSYSA-N 0 0 248.242 2.459 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(N(C(C)C)C(C)C)n1 ZINC001163574838 965457235 /nfs/dbraw/zinc/45/72/35/965457235.db2.gz RNIUCFHVWXSGII-UHFFFAOYSA-N 0 0 238.291 2.316 20 5 BEBDRN CC(C)N(c1cc(N)c([N+](=O)[O-])cn1)C(C)C ZINC001163578014 965461145 /nfs/dbraw/zinc/46/11/45/965461145.db2.gz XNKIYLMWZOAGOV-UHFFFAOYSA-N 0 0 238.291 2.195 20 5 BEBDRN CCCN(CC)c1cc(OC)c([N+](=O)[O-])cn1 ZINC001163602058 965475392 /nfs/dbraw/zinc/47/53/92/965475392.db2.gz PXUJGDXBLWULKQ-UHFFFAOYSA-N 0 0 239.275 2.235 20 5 BEBDRN CC(C)N(C)c1cc(Cl)ncc1[N+](=O)[O-] ZINC001163619150 965482156 /nfs/dbraw/zinc/48/21/56/965482156.db2.gz KAXNLPHCVOPNRS-UHFFFAOYSA-N 0 0 229.667 2.488 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(N2CC=CC2)nc1Cl ZINC001163917135 965628404 /nfs/dbraw/zinc/62/84/04/965628404.db2.gz LLFPYXULVZSUBV-UHFFFAOYSA-N 0 0 239.662 2.328 20 5 BEBDRN COc1cnc(NC2(C)CCC2)cc1[N+](=O)[O-] ZINC001164030026 965700775 /nfs/dbraw/zinc/70/07/75/965700775.db2.gz LUNYDOIHHQTHCB-UHFFFAOYSA-N 0 0 237.259 2.353 20 5 BEBDRN C[C@H]1C[C@@H](CF)N(c2cc([N+](=O)[O-])ccn2)C1 ZINC001164258625 965812354 /nfs/dbraw/zinc/81/23/54/965812354.db2.gz BFTGXCSKFBKCHQ-WPRPVWTQSA-N 0 0 239.250 2.174 20 5 BEBDRN Cc1cnc(NC/C=C/Cl)c([N+](=O)[O-])c1 ZINC001164303066 965836094 /nfs/dbraw/zinc/83/60/94/965836094.db2.gz OECXYORJBHFEOK-NSCUHMNNSA-N 0 0 227.651 2.463 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1CC=C(Cl)Cl ZINC001164498078 965895483 /nfs/dbraw/zinc/89/54/83/965895483.db2.gz OXZCAELVVHIAQN-UHFFFAOYSA-N 0 0 249.053 2.076 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)CC[C@H](C)SC ZINC001123354959 966137790 /nfs/dbraw/zinc/13/77/90/966137790.db2.gz IFPCMTINADWSGB-IUCAKERBSA-N 0 0 249.332 2.117 20 5 BEBDRN Cc1cc(Nc2ccc([N+](=O)[O-])nc2)sn1 ZINC001203566473 966689784 /nfs/dbraw/zinc/68/97/84/966689784.db2.gz JQHHTEMOJGYTTR-UHFFFAOYSA-N 0 0 236.256 2.498 20 5 BEBDRN Cc1cc(Nc2ccc([N+](=O)[O-])nc2)nc(C)n1 ZINC001203560776 966691222 /nfs/dbraw/zinc/69/12/22/966691222.db2.gz PINQQGBFMZVWQE-UHFFFAOYSA-N 0 0 245.242 2.140 20 5 BEBDRN Cc1ccc(Nc2ccc([N+](=O)[O-])nc2)nc1 ZINC001203561449 966692341 /nfs/dbraw/zinc/69/23/41/966692341.db2.gz WWUNNJWEXODBGX-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1noc(C)c1Nc1ccc([N+](=O)[O-])nc1 ZINC001203566885 966695730 /nfs/dbraw/zinc/69/57/30/966695730.db2.gz TZGHRWWPPONQER-UHFFFAOYSA-N 0 0 234.215 2.338 20 5 BEBDRN Cc1cnc(Nc2ccc([N+](=O)[O-])nc2)c(N)c1 ZINC001203566330 966695766 /nfs/dbraw/zinc/69/57/66/966695766.db2.gz GWLTZCKVZXSEQU-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN CCc1cnc(Nc2ccc([N+](=O)[O-])nc2)cn1 ZINC001203566007 966697510 /nfs/dbraw/zinc/69/75/10/966697510.db2.gz ADNFIOWVBPXFJR-UHFFFAOYSA-N 0 0 245.242 2.086 20 5 BEBDRN COc1cc(Nc2cccc([N+](=O)[O-])c2)ncn1 ZINC001204408089 966994103 /nfs/dbraw/zinc/99/41/03/966994103.db2.gz WILAWADCVDSBOR-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2ccnnc2)c1 ZINC001204414888 966994759 /nfs/dbraw/zinc/99/47/59/966994759.db2.gz DEJXXAGAGYGAHP-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN Nc1cncc(Nc2cccc([N+](=O)[O-])c2)c1 ZINC001204440122 966995225 /nfs/dbraw/zinc/99/52/25/966995225.db2.gz SVLHBOKAWYIFEG-UHFFFAOYSA-N 0 0 230.227 2.316 20 5 BEBDRN N#CNc1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001168625586 967118936 /nfs/dbraw/zinc/11/89/36/967118936.db2.gz BAVYLJWWGBHVSZ-UHFFFAOYSA-N 0 0 249.617 2.084 20 5 BEBDRN N#CNc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001168631152 967141252 /nfs/dbraw/zinc/14/12/52/967141252.db2.gz LKIFPOMVENYQJF-UHFFFAOYSA-N 0 0 247.132 2.386 20 5 BEBDRN CCC(=O)CO[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001204862265 967204415 /nfs/dbraw/zinc/20/44/15/967204415.db2.gz DRLVJFOMQFPSMT-ZDUSSCGKSA-N 0 0 249.266 2.058 20 5 BEBDRN CCCCNc1cnc(F)c([N+](=O)[O-])c1 ZINC001162205887 967738017 /nfs/dbraw/zinc/73/80/17/967738017.db2.gz SOTVQTWNKCKKQB-UHFFFAOYSA-N 0 0 213.212 2.341 20 5 BEBDRN O=[N+]([O-])c1ccccc1Nc1cnccn1 ZINC000169665419 967835671 /nfs/dbraw/zinc/83/56/71/967835671.db2.gz ZLUPWHNWSVQXKU-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN Cc1nccnc1Nc1ccccc1[N+](=O)[O-] ZINC001206140388 968082754 /nfs/dbraw/zinc/08/27/54/968082754.db2.gz SEIMQVKRRPVDSK-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN COc1ccc(Nc2ccccc2[N+](=O)[O-])nn1 ZINC001206140417 968083551 /nfs/dbraw/zinc/08/35/51/968083551.db2.gz SWDBPFGLXNKCNX-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN O=[N+]([O-])c1nc[nH]c1-c1nc2cc(F)ccc2[nH]1 ZINC001251165798 968272718 /nfs/dbraw/zinc/27/27/18/968272718.db2.gz VMLQVWMRBVADIK-UHFFFAOYSA-N 0 0 247.189 2.000 20 5 BEBDRN Cc1nc(CO[C@@H](C[N+](=O)[O-])C2CC2)cs1 ZINC001206446998 968313109 /nfs/dbraw/zinc/31/31/09/968313109.db2.gz JYNUOVXRPWAOBK-JTQLQIEISA-N 0 0 242.300 2.023 20 5 BEBDRN CCCCNc1cc(OC)c([N+](=O)[O-])cn1 ZINC001154827808 968683738 /nfs/dbraw/zinc/68/37/38/968683738.db2.gz RTCHLMQOZGANEP-UHFFFAOYSA-N 0 0 225.248 2.210 20 5 BEBDRN Cc1nnc(Cc2ccc([N+](=O)[O-])cc2F)o1 ZINC001253363898 969141229 /nfs/dbraw/zinc/14/12/29/969141229.db2.gz WIJVUKLPWZPVSZ-UHFFFAOYSA-N 0 0 237.190 2.016 20 5 BEBDRN Cc1nnc(-c2cc(F)cc([N+](=O)[O-])c2)o1 ZINC001253463088 969185927 /nfs/dbraw/zinc/18/59/27/969185927.db2.gz IYRFYDQUSLDNLM-UHFFFAOYSA-N 0 0 223.163 2.092 20 5 BEBDRN Cc1ncc(-c2nnc(C3CC3)o2)cc1[N+](=O)[O-] ZINC001254106673 969500474 /nfs/dbraw/zinc/50/04/74/969500474.db2.gz OPGSCVRVPOYNIY-UHFFFAOYSA-N 0 0 246.226 2.226 20 5 BEBDRN CC(C)c1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC001254167550 969532874 /nfs/dbraw/zinc/53/28/74/969532874.db2.gz VCSSYROEZGKLJT-UHFFFAOYSA-N 0 0 248.242 2.005 20 5 BEBDRN Nc1ccc(Nc2ccccn2)cc1[N+](=O)[O-] ZINC001209931795 969697661 /nfs/dbraw/zinc/69/76/61/969697661.db2.gz DUTYLIWPWJOKED-UHFFFAOYSA-N 0 0 230.227 2.316 20 5 BEBDRN Nc1ccc(Nc2cccc(F)n2)cc1[N+](=O)[O-] ZINC001209933148 969697683 /nfs/dbraw/zinc/69/76/83/969697683.db2.gz ZNFRFUIOUBDRJJ-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN Cc1cnc(Nc2ccc(N)c([N+](=O)[O-])c2)o1 ZINC001209931925 969697696 /nfs/dbraw/zinc/69/76/96/969697696.db2.gz FVHABMABGCULTQ-UHFFFAOYSA-N 0 0 234.215 2.217 20 5 BEBDRN Nc1ccc(Nc2ccc(=O)[nH]c2)cc1[N+](=O)[O-] ZINC001209932443 969698097 /nfs/dbraw/zinc/69/80/97/969698097.db2.gz PEGBHNNCDQAJCK-UHFFFAOYSA-N 0 0 246.226 2.021 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCCCO1)C2 ZINC001254596361 969746034 /nfs/dbraw/zinc/74/60/34/969746034.db2.gz CQWZIORZRGPQFY-ZDUSSCGKSA-N 0 0 248.282 2.089 20 5 BEBDRN CO[C@@H](C)CNc1cc(F)cc([N+](=O)[O-])c1C ZINC001169776096 969840238 /nfs/dbraw/zinc/84/02/38/969840238.db2.gz VDSMYNCMFRFPED-ZETCQYMHSA-N 0 0 242.250 2.489 20 5 BEBDRN Cc1nn(C)cc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210393354 969882284 /nfs/dbraw/zinc/88/22/84/969882284.db2.gz ZPNSUYDTFHWXJI-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Nc1cnoc1 ZINC001210444792 969889163 /nfs/dbraw/zinc/88/91/63/969889163.db2.gz KHKXLJNTTHJQJU-UHFFFAOYSA-N 0 0 235.199 2.335 20 5 BEBDRN N=CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001157078491 970078722 /nfs/dbraw/zinc/07/87/22/970078722.db2.gz NJUFNEYATLPFQQ-UHFFFAOYSA-N 0 0 216.200 2.162 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2ccon2)ccc1F ZINC001211188036 970169611 /nfs/dbraw/zinc/16/96/11/970169611.db2.gz FYNZGUNKBYMHQO-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1ccn[nH]c1=O ZINC001211287127 970215338 /nfs/dbraw/zinc/21/53/38/970215338.db2.gz FGDKWLRUBWBHDG-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1-n1cccc1N ZINC001211287844 970215680 /nfs/dbraw/zinc/21/56/80/970215680.db2.gz XGMVFDZRDAZCMD-UHFFFAOYSA-N 0 0 217.228 2.276 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1c[nH]ccc1=O ZINC001211288275 970217729 /nfs/dbraw/zinc/21/77/29/970217729.db2.gz NTICRKHIHZBOPM-UHFFFAOYSA-N 0 0 245.238 2.335 20 5 BEBDRN O=[N+]([O-])c1cccc(COC[C@@H]2CCCO2)c1 ZINC001222768959 972689665 /nfs/dbraw/zinc/68/96/65/972689665.db2.gz OIIBEMSMPOWATQ-LBPRGKRZSA-N 0 0 237.255 2.290 20 5 BEBDRN CC(C)OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001223486363 973095589 /nfs/dbraw/zinc/09/55/89/973095589.db2.gz QYZVNMUSFJFUMY-UHFFFAOYSA-N 0 0 240.215 2.428 20 5 BEBDRN CC(=O)[C@@H](C)OCc1c(C)cccc1[N+](=O)[O-] ZINC001223536656 973145743 /nfs/dbraw/zinc/14/57/43/973145743.db2.gz ZPECPQJGOLZPDN-SNVBAGLBSA-N 0 0 237.255 2.397 20 5 BEBDRN C[C@H](O[C@H](C[N+](=O)[O-])C1CC1)c1nccs1 ZINC001224008184 973400856 /nfs/dbraw/zinc/40/08/56/973400856.db2.gz UCQZGOFYKZRGSE-IONNQARKSA-N 0 0 242.300 2.276 20 5 BEBDRN O=[N+]([O-])C[C@H](O[C@H]1Cc2ccccc21)C1CC1 ZINC001224062422 973437251 /nfs/dbraw/zinc/43/72/51/973437251.db2.gz LNWAGECUVQLPDH-STQMWFEESA-N 0 0 233.267 2.356 20 5 BEBDRN O=[N+]([O-])c1ccc(CO[C@@H]2C=CCC2)cn1 ZINC001224116121 973457214 /nfs/dbraw/zinc/45/72/14/973457214.db2.gz YFLCGNHBVQYXEO-SNVBAGLBSA-N 0 0 220.228 2.225 20 5 BEBDRN CC(=O)[C@H](C)OCCc1ccc([N+](=O)[O-])cc1 ZINC001224331647 973558951 /nfs/dbraw/zinc/55/89/51/973558951.db2.gz QVSGKHZCTBGODS-JTQLQIEISA-N 0 0 237.255 2.131 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1ccc(F)c(F)c1)C1CC1 ZINC001225313268 974388266 /nfs/dbraw/zinc/38/82/66/974388266.db2.gz HBLHZYVWWKYQJH-NSHDSACASA-N 0 0 243.209 2.399 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1ccc(F)cc1F)C1CC1 ZINC001225312541 974389015 /nfs/dbraw/zinc/38/90/15/974389015.db2.gz UPBBKZROHBTQHN-LLVKDONJSA-N 0 0 243.209 2.399 20 5 BEBDRN O=[N+]([O-])c1cc(O[C@@H]2CCCOC2)ccc1F ZINC001225381775 974458708 /nfs/dbraw/zinc/45/87/08/974458708.db2.gz HQCCZTHZSOTKNP-SECBINFHSA-N 0 0 241.218 2.292 20 5 BEBDRN CCc1ncccc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001225454800 974503258 /nfs/dbraw/zinc/50/32/58/974503258.db2.gz ASMAGHWORSQUHC-GFCCVEGCSA-N 0 0 236.271 2.078 20 5 BEBDRN C[C@@H](Oc1ncccc1[N+](=O)[O-])C1CC1 ZINC001225590435 974578683 /nfs/dbraw/zinc/57/86/83/974578683.db2.gz OPIFGMFRWVLGRN-SSDOTTSWSA-N 0 0 208.217 2.167 20 5 BEBDRN O=[N+]([O-])c1cccnc1O[C@H]1C=CCC1 ZINC001225598601 974582317 /nfs/dbraw/zinc/58/23/17/974582317.db2.gz WQKILEWOQMCSAV-QMMMGPOBSA-N 0 0 206.201 2.087 20 5 BEBDRN C[C@H]1CCC[C@H]1Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225663188 974632145 /nfs/dbraw/zinc/63/21/45/974632145.db2.gz ZVAURGSWFDJHKV-IONNQARKSA-N 0 0 238.243 2.263 20 5 BEBDRN C[C@@H]1CC[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225665965 974635120 /nfs/dbraw/zinc/63/51/20/974635120.db2.gz DVBWUANJSYEKCS-HTQZYQBOSA-N 0 0 238.243 2.263 20 5 BEBDRN O=c1cc[nH]c(O[C@@H]2C=CCCC2)c1[N+](=O)[O-] ZINC001225666669 974635788 /nfs/dbraw/zinc/63/57/88/974635788.db2.gz KOUBNKMOXNBOCB-MRVPVSSYSA-N 0 0 236.227 2.183 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCOC2)c1 ZINC001225679455 974640999 /nfs/dbraw/zinc/64/09/99/974640999.db2.gz UGAYVJQNYJAHHE-SECBINFHSA-N 0 0 223.228 2.071 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1OC[C@H]1CCO1 ZINC001225709824 974655183 /nfs/dbraw/zinc/65/51/83/974655183.db2.gz DFFDVNYQMLNQSG-MRVPVSSYSA-N 0 0 243.646 2.416 20 5 BEBDRN COC[C@H](C)Oc1ccc(OC)cc1[N+](=O)[O-] ZINC001225770471 974675999 /nfs/dbraw/zinc/67/59/99/974675999.db2.gz VWZFTRLYSRWUNL-QMMMGPOBSA-N 0 0 241.243 2.017 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1O[C@H]1CCCOC1 ZINC001225905378 974725165 /nfs/dbraw/zinc/72/51/65/974725165.db2.gz RYGVSOIPVNUPIL-VIFPVBQESA-N 0 0 241.218 2.292 20 5 BEBDRN CC[C@H](C)C(=O)OCc1cccnc1[N+](=O)[O-] ZINC001331475435 974738244 /nfs/dbraw/zinc/73/82/44/974738244.db2.gz QAAMJDRBOQMJJH-QMMMGPOBSA-N 0 0 238.243 2.079 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1OC1CCOCC1 ZINC001226007529 974759934 /nfs/dbraw/zinc/75/99/34/974759934.db2.gz PDDVNNRENFTXKM-UHFFFAOYSA-N 0 0 241.218 2.292 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1noc2ccccc21)C1CC1 ZINC001226402568 974885487 /nfs/dbraw/zinc/88/54/87/974885487.db2.gz LLKFFMRCICBBMP-NSHDSACASA-N 0 0 248.238 2.262 20 5 BEBDRN CC(C)Oc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001226434023 974898426 /nfs/dbraw/zinc/89/84/26/974898426.db2.gz IYNXUXXCSLBVTL-UHFFFAOYSA-N 0 0 233.227 2.325 20 5 BEBDRN O=[N+]([O-])c1ccc2ncnc(OC3CC3)c2c1 ZINC001226436893 974899984 /nfs/dbraw/zinc/89/99/84/974899984.db2.gz QFHDUKJBOXPBQQ-UHFFFAOYSA-N 0 0 231.211 2.079 20 5 BEBDRN CCC(=O)[C@@H](CC)Oc1ccc([N+](=O)[O-])nc1 ZINC001226711827 975044484 /nfs/dbraw/zinc/04/44/84/975044484.db2.gz GUNKJPUMQSAODX-SNVBAGLBSA-N 0 0 238.243 2.126 20 5 BEBDRN CC1(C)[C@@H]2C[C@@H](Oc3ncc([N+](=O)[O-])cn3)C[C@@H]21 ZINC001226733696 975051145 /nfs/dbraw/zinc/05/11/45/975051145.db2.gz RYVQTZYSBZZLSS-OWUUHHOZSA-N 0 0 249.270 2.198 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(OC2CC2)c(F)c1 ZINC001226743665 975054788 /nfs/dbraw/zinc/05/47/88/975054788.db2.gz GGDURDQCVNXFKX-UHFFFAOYSA-N 0 0 215.155 2.414 20 5 BEBDRN C[C@@H](Oc1ncc(F)cc1[N+](=O)[O-])C1CC1 ZINC001226753579 975058802 /nfs/dbraw/zinc/05/88/02/975058802.db2.gz HVWXVQYVJVGNQE-ZCFIWIBFSA-N 0 0 226.207 2.306 20 5 BEBDRN O=C1CCCC[C@@H]1Oc1cccc([N+](=O)[O-])c1 ZINC001226766994 975068627 /nfs/dbraw/zinc/06/86/27/975068627.db2.gz GJRLEWLRCKKXFJ-LBPRGKRZSA-N 0 0 235.239 2.485 20 5 BEBDRN O=[N+]([O-])c1cc2c(cc1F)ncnc2OC1CC1 ZINC001226807009 975095815 /nfs/dbraw/zinc/09/58/15/975095815.db2.gz LUTOOJNCYWWHNZ-UHFFFAOYSA-N 0 0 249.201 2.218 20 5 BEBDRN Cc1cc(OC2CCOCC2)ccc1[N+](=O)[O-] ZINC001226841245 975118276 /nfs/dbraw/zinc/11/82/76/975118276.db2.gz LFXRRGQNEUGLBM-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1ccc(O[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC001226950505 975181607 /nfs/dbraw/zinc/18/16/07/975181607.db2.gz KTEBQZZAMVDJCN-LLVKDONJSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC2CC=CC2)n1 ZINC001227062534 975247037 /nfs/dbraw/zinc/24/70/37/975247037.db2.gz PHRNQJDXYNGPFX-UHFFFAOYSA-N 0 0 220.228 2.396 20 5 BEBDRN CCO[C@H](C)COc1nc(C)ccc1[N+](=O)[O-] ZINC001227064205 975248776 /nfs/dbraw/zinc/24/87/76/975248776.db2.gz LCUMIKJQKKNZHN-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1cc(O)ccc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001227450147 975424598 /nfs/dbraw/zinc/42/45/98/975424598.db2.gz MUDUTUHLANHQJF-LBPRGKRZSA-N 0 0 237.255 2.135 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2CCCOC2)cc1 ZINC001227521605 975498491 /nfs/dbraw/zinc/49/84/91/975498491.db2.gz SSLYATYSKGVFIZ-NSHDSACASA-N 0 0 223.228 2.153 20 5 BEBDRN C[C@@H]1COCC[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC001227523482 975501893 /nfs/dbraw/zinc/50/18/93/975501893.db2.gz KHYOFPLFNZQOKA-BXKDBHETSA-N 0 0 237.255 2.399 20 5 BEBDRN O=[N+]([O-])c1cncc(OC[C@@H]2CCC=CO2)c1 ZINC001227988611 975833813 /nfs/dbraw/zinc/83/38/13/975833813.db2.gz UIYYKPRVAAHEBJ-JTQLQIEISA-N 0 0 236.227 2.061 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC[C@@H]1C=CCC1 ZINC001333578465 975864389 /nfs/dbraw/zinc/86/43/89/975864389.db2.gz CVEZSGSFZOPIIW-SNVBAGLBSA-N 0 0 233.271 2.098 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(C)c1OC1CC(=O)C1 ZINC001228570384 976330558 /nfs/dbraw/zinc/33/05/58/976330558.db2.gz CINMFGAGKCYOAA-UHFFFAOYSA-N 0 0 235.239 2.322 20 5 BEBDRN CC(=O)[C@@H](C)Oc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001228610942 976379135 /nfs/dbraw/zinc/37/91/35/976379135.db2.gz BUTFIVOQYNDVFH-ZCFIWIBFSA-N 0 0 245.181 2.229 20 5 BEBDRN O=[N+]([O-])c1c(F)cc(F)cc1O[C@@H]1CCOC1 ZINC001228610114 976379953 /nfs/dbraw/zinc/37/99/53/976379953.db2.gz OSIWNTJRSUJBPI-SSDOTTSWSA-N 0 0 245.181 2.041 20 5 BEBDRN C[C@H](Oc1ncncc1[N+](=O)[O-])C1CCCC1 ZINC001228653735 976409385 /nfs/dbraw/zinc/40/93/85/976409385.db2.gz AYNFUHPEUASHDU-QMMMGPOBSA-N 0 0 237.259 2.342 20 5 BEBDRN CCC[C@H](CC)Oc1ncncc1[N+](=O)[O-] ZINC001228656455 976412059 /nfs/dbraw/zinc/41/20/59/976412059.db2.gz FBRRILGOIPBACW-QMMMGPOBSA-N 0 0 225.248 2.342 20 5 BEBDRN C[C@@H](Oc1ncncc1[N+](=O)[O-])c1ccco1 ZINC001228661278 976415974 /nfs/dbraw/zinc/41/59/74/976415974.db2.gz WMMJRJTWRZGTIK-SSDOTTSWSA-N 0 0 235.199 2.118 20 5 BEBDRN CC(C)Oc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC001228802549 976499156 /nfs/dbraw/zinc/49/91/56/976499156.db2.gz MJBWYSHXWKZHPQ-UHFFFAOYSA-N 0 0 249.222 2.488 20 5 BEBDRN O=c1oc2ccccc2c(OC2CC2)c1[N+](=O)[O-] ZINC001228806758 976504875 /nfs/dbraw/zinc/50/48/75/976504875.db2.gz PVYWOHBZFLCMCH-UHFFFAOYSA-N 0 0 247.206 2.242 20 5 BEBDRN CCC(=O)[C@H](CC)Oc1cnccc1[N+](=O)[O-] ZINC001228881297 976547255 /nfs/dbraw/zinc/54/72/55/976547255.db2.gz CWKADKQCTVAKCU-JTQLQIEISA-N 0 0 238.243 2.126 20 5 BEBDRN CC(=O)[C@H](C)Oc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001229113859 976744822 /nfs/dbraw/zinc/74/48/22/976744822.db2.gz GHXGOXBUPCQWEV-JARNTUPDSA-N 0 0 235.239 2.290 20 5 BEBDRN Cc1cncc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC001174475149 976790387 /nfs/dbraw/zinc/79/03/87/976790387.db2.gz ASVARQCLHAVEHI-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN COc1nccnc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174476016 976792487 /nfs/dbraw/zinc/79/24/87/976792487.db2.gz XLKGUSRUHDAGCK-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cccnc2CO)cc1 ZINC001174476989 976795622 /nfs/dbraw/zinc/79/56/22/976795622.db2.gz DQOXWXRCAFASSC-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN CC[C@H](COc1cc([N+](=O)[O-])ccc1O)OC ZINC001229396092 976856675 /nfs/dbraw/zinc/85/66/75/976856675.db2.gz PRRHHCYPJJTLHY-SECBINFHSA-N 0 0 241.243 2.104 20 5 BEBDRN CC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1O ZINC001229395170 976858179 /nfs/dbraw/zinc/85/81/79/976858179.db2.gz FXWIDOHKECPHJY-SSDOTTSWSA-N 0 0 211.217 2.478 20 5 BEBDRN CO[C@H](C)CCOc1cc([N+](=O)[O-])ccc1O ZINC001229395739 976858205 /nfs/dbraw/zinc/85/82/05/976858205.db2.gz KSBFQUBWLNJHLZ-MRVPVSSYSA-N 0 0 241.243 2.104 20 5 BEBDRN O=[N+]([O-])c1cc(OC[C@@H]2CCO2)ccc1Cl ZINC001229962220 977042006 /nfs/dbraw/zinc/04/20/06/977042006.db2.gz UBKWDPQIMMMLIQ-QMMMGPOBSA-N 0 0 243.646 2.416 20 5 BEBDRN C[C@@H](Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1)C1CC1 ZINC001230225644 977130764 /nfs/dbraw/zinc/13/07/64/977130764.db2.gz WYKKNYYUIPUADB-ZCFIWIBFSA-N 0 0 248.242 2.043 20 5 BEBDRN CC(C)Oc1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC001230312194 977175594 /nfs/dbraw/zinc/17/55/94/977175594.db2.gz DLPAPNCAVSGHED-UHFFFAOYSA-N 0 0 226.188 2.290 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCOC1 ZINC001230722852 977316237 /nfs/dbraw/zinc/31/62/37/977316237.db2.gz BGNMZPWFXMHEJH-SNVBAGLBSA-N 0 0 237.255 2.379 20 5 BEBDRN Cc1nc(N[C@H]2CC23CCC3)ncc1[N+](=O)[O-] ZINC001335873456 977339705 /nfs/dbraw/zinc/33/97/05/977339705.db2.gz RVKNMHOANHGUFK-VIFPVBQESA-N 0 0 234.259 2.048 20 5 BEBDRN CCc1ccc(O[C@H](C[N+](=O)[O-])C2CC2)nc1 ZINC001230851143 977349854 /nfs/dbraw/zinc/34/98/54/977349854.db2.gz JLLMQTCTPRBTAD-LLVKDONJSA-N 0 0 236.271 2.078 20 5 BEBDRN CO[C@H](C)COc1ccc(Cl)nc1[N+](=O)[O-] ZINC001230879859 977354250 /nfs/dbraw/zinc/35/42/50/977354250.db2.gz UPMTVCAWUFIODM-ZCFIWIBFSA-N 0 0 246.650 2.057 20 5 BEBDRN C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1(C)CC1 ZINC001336203910 977566293 /nfs/dbraw/zinc/56/62/93/977566293.db2.gz USGSOLGXIVAZEL-VIFPVBQESA-N 0 0 242.319 2.127 20 5 BEBDRN Nc1cncc(Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC001175733711 977670084 /nfs/dbraw/zinc/67/00/84/977670084.db2.gz HXVTTWYXMZPOGM-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN O=[N+]([O-])c1ccc(F)c(Nc2cnns2)c1 ZINC001175734181 977672701 /nfs/dbraw/zinc/67/27/01/977672701.db2.gz NBTZWYFYIJVGLA-UHFFFAOYSA-N 0 0 240.219 2.329 20 5 BEBDRN CC(C)CCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001336432041 977682825 /nfs/dbraw/zinc/68/28/25/977682825.db2.gz KTVHQDYRRCTMFO-UHFFFAOYSA-N 0 0 224.264 2.030 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]1F ZINC001336527968 977755523 /nfs/dbraw/zinc/75/55/23/977755523.db2.gz UKTHLOMEZTXNEY-DTWKUNHWSA-N 0 0 238.218 2.200 20 5 BEBDRN CN(CC1CCC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001336582254 977798975 /nfs/dbraw/zinc/79/89/75/977798975.db2.gz HVAFMCCEAYVMJW-UHFFFAOYSA-N 0 0 242.319 2.080 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(Nc2nnco2)cc1 ZINC001175899868 977811701 /nfs/dbraw/zinc/81/17/01/977811701.db2.gz BIAQOHXEGUEYAH-AATRIKPKSA-N 0 0 232.199 2.061 20 5 BEBDRN CC(C)[C@H](CO)Nc1ccc([N+](=O)[O-])s1 ZINC001337013948 978125441 /nfs/dbraw/zinc/12/54/41/978125441.db2.gz YMXGEZIJCRDEIQ-ZETCQYMHSA-N 0 0 230.289 2.085 20 5 BEBDRN O=[N+]([O-])c1c2nonc2ccc1NC1CCC1 ZINC001337678567 978456956 /nfs/dbraw/zinc/45/69/56/978456956.db2.gz JLTIUEZAMJVNIK-UHFFFAOYSA-N 0 0 234.215 2.095 20 5 BEBDRN CC[C@@H](F)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC001337744885 978481509 /nfs/dbraw/zinc/48/15/09/978481509.db2.gz ZSQAOVLSPCUAGF-SECBINFHSA-N 0 0 227.191 2.248 20 5 BEBDRN Cc1cc(NC(=O)[C@H]2C[C@H]2F)cc([N+](=O)[O-])c1 ZINC001337878351 978549126 /nfs/dbraw/zinc/54/91/26/978549126.db2.gz HIIRUVMJPCDBPT-VHSXEESVSA-N 0 0 238.218 2.200 20 5 BEBDRN C[C@@H](O)C(C)(C)CNc1sccc1[N+](=O)[O-] ZINC001338030532 978594529 /nfs/dbraw/zinc/59/45/29/978594529.db2.gz YBGSKXAUCCWULL-SSDOTTSWSA-N 0 0 244.316 2.475 20 5 BEBDRN Cc1ccnc([N+](=O)[O-])c1O[C@H]1C=CCC1 ZINC001233558086 978625622 /nfs/dbraw/zinc/62/56/22/978625622.db2.gz YPQLXHOEQZZFPT-VIFPVBQESA-N 0 0 220.228 2.396 20 5 BEBDRN COC[C@H](C)Oc1cc(F)c([N+](=O)[O-])cc1F ZINC001233596981 978642323 /nfs/dbraw/zinc/64/23/23/978642323.db2.gz GYZZDJTZAUJZLR-LURJTMIESA-N 0 0 247.197 2.287 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@@H]2CCO2)c(F)c1F ZINC001233765729 978693097 /nfs/dbraw/zinc/69/30/97/978693097.db2.gz YCNZJTWRRULSEJ-LURJTMIESA-N 0 0 245.181 2.041 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NCc1cccs1 ZINC001338681236 978721580 /nfs/dbraw/zinc/72/15/80/978721580.db2.gz MFACJEOYMGGTMI-UHFFFAOYSA-N 0 0 249.295 2.394 20 5 BEBDRN CC(=O)[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1F ZINC001234060502 978765227 /nfs/dbraw/zinc/76/52/27/978765227.db2.gz QLEFVXONNXLPGT-MRVPVSSYSA-N 0 0 241.218 2.399 20 5 BEBDRN C[C@@H](CNc1cc(N)c([N+](=O)[O-])cn1)C1CC1 ZINC001339547368 978869264 /nfs/dbraw/zinc/86/92/64/978869264.db2.gz POIOJDHVSCUBEX-ZETCQYMHSA-N 0 0 236.275 2.030 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(O[C@@H]2C=CCC2)n1 ZINC001234880732 978923577 /nfs/dbraw/zinc/92/35/77/978923577.db2.gz GOJCATYJIDRINU-MRVPVSSYSA-N 0 0 236.227 2.096 20 5 BEBDRN C[C@H]1CC[C@@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC001341883376 979586792 /nfs/dbraw/zinc/58/67/92/979586792.db2.gz TUKFYIWIKLZFMZ-IUCAKERBSA-N 0 0 246.270 2.453 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cccnc2)cn1 ZINC001203561225 979790822 /nfs/dbraw/zinc/79/08/22/979790822.db2.gz VCHRIHUCAQEUKY-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN Cc1c[nH]c(=O)cc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203569004 979834663 /nfs/dbraw/zinc/83/46/63/979834663.db2.gz NDZQGGXQZBQZBK-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1ccc(OC(=O)[C@H]2C[C@H]2F)cc1[N+](=O)[O-] ZINC001342753674 979886932 /nfs/dbraw/zinc/88/69/32/979886932.db2.gz WAKQPNNPARUYAA-DTWKUNHWSA-N 0 0 239.202 2.167 20 5 BEBDRN Cc1cncnc1Oc1ccc([N+](=O)[O-])cc1 ZINC001184608927 980110583 /nfs/dbraw/zinc/11/05/83/980110583.db2.gz ZUWDOXDVRVVORK-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)C(F)(F)F ZINC001185486480 980239051 /nfs/dbraw/zinc/23/90/51/980239051.db2.gz BDNPAZRLZXVALK-UHFFFAOYSA-N 0 0 249.144 2.371 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C1=CCCCC1 ZINC001344999333 980516052 /nfs/dbraw/zinc/51/60/52/980516052.db2.gz JQDHEYKLFUFVEJ-SNVBAGLBSA-N 0 0 227.260 2.085 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C(C)=C1CCCC1 ZINC001344998191 980516418 /nfs/dbraw/zinc/51/64/18/980516418.db2.gz GJORMIYGONTXKO-LLVKDONJSA-N 0 0 241.287 2.475 20 5 BEBDRN CCCCC1(C(=O)O[C@H](C)C[N+](=O)[O-])CC1 ZINC001345020122 980524801 /nfs/dbraw/zinc/52/48/01/980524801.db2.gz XNTWMTDNLROLSI-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN Cc1nnc(-c2cc(F)cc(C)c2[N+](=O)[O-])o1 ZINC001345643182 980658557 /nfs/dbraw/zinc/65/85/57/980658557.db2.gz FFZIBXIWNQYPQK-UHFFFAOYSA-N 0 0 237.190 2.401 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C1CC(C)(C)C1 ZINC001345689847 980670691 /nfs/dbraw/zinc/67/06/91/980670691.db2.gz PSALEVDYODROJZ-VIFPVBQESA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)C(C)(C)C ZINC001346196672 980781402 /nfs/dbraw/zinc/78/14/02/980781402.db2.gz HORGYUGBVADJNZ-BDAKNGLRSA-N 0 0 231.292 2.267 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@H](OC2CC2)C1 ZINC001205533710 980884392 /nfs/dbraw/zinc/88/43/92/980884392.db2.gz AZNBCQXMZJUOOA-NSHDSACASA-N 0 0 248.282 2.353 20 5 BEBDRN Cc1cc(C(=O)NC2(C)CC2)ccc1[N+](=O)[O-] ZINC001346725761 980894396 /nfs/dbraw/zinc/89/43/96/980894396.db2.gz AUGHYTRNQNNVPC-UHFFFAOYSA-N 0 0 234.255 2.186 20 5 BEBDRN O=C(CCF)OCCc1ccccc1[N+](=O)[O-] ZINC001347261754 981022499 /nfs/dbraw/zinc/02/24/99/981022499.db2.gz SQYPTHJAVCJAHG-UHFFFAOYSA-N 0 0 241.218 2.040 20 5 BEBDRN O=[N+]([O-])C[C@@H](OC1CCCC1)c1cccnc1 ZINC001205568330 981076084 /nfs/dbraw/zinc/07/60/84/981076084.db2.gz ZQUQSRBAXNZSGF-GFCCVEGCSA-N 0 0 236.271 2.359 20 5 BEBDRN Cc1nc(NC/C=C/C2CC2)ncc1[N+](=O)[O-] ZINC001347840466 981191046 /nfs/dbraw/zinc/19/10/46/981191046.db2.gz WLSUKEOJTHDYQR-NSCUHMNNSA-N 0 0 234.259 2.071 20 5 BEBDRN Nc1cc(NC2CCCCC2)ncc1[N+](=O)[O-] ZINC001347845075 981194380 /nfs/dbraw/zinc/19/43/80/981194380.db2.gz SORVTLMLOIFDFV-UHFFFAOYSA-N 0 0 236.275 2.317 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC001348545983 981389842 /nfs/dbraw/zinc/38/98/42/981389842.db2.gz FJPRWSLIUFTPSD-PHIMTYICSA-N 0 0 245.282 2.392 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001349805913 981752520 /nfs/dbraw/zinc/75/25/20/981752520.db2.gz PELOJZRWFSLZMW-GARJFASQSA-N 0 0 241.287 2.021 20 5 BEBDRN Cc1nc(N[C@]2(C)CC2(C)C)ncc1[N+](=O)[O-] ZINC001350513903 981992849 /nfs/dbraw/zinc/99/28/49/981992849.db2.gz ILEOZIBWFKPXJD-LLVKDONJSA-N 0 0 236.275 2.294 20 5 BEBDRN O=[N+]([O-])c1cc(O)cc(Nc2ncccc2O)c1 ZINC001199802460 983021838 /nfs/dbraw/zinc/02/18/38/983021838.db2.gz QAQYZWPEJCARNS-UHFFFAOYSA-N 0 0 247.210 2.145 20 5 BEBDRN C=CC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC001356523635 983618963 /nfs/dbraw/zinc/61/89/63/983618963.db2.gz YDUAXWGUHAKARE-UHFFFAOYSA-N 0 0 236.227 2.118 20 5 BEBDRN C[C@H](CO)CO[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001205964297 983915977 /nfs/dbraw/zinc/91/59/77/983915977.db2.gz UUNYJIHJSHPTAK-NXEZZACHSA-N 0 0 239.271 2.301 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1C[C@H]2CCCC[C@H]21 ZINC001458469736 985315821 /nfs/dbraw/zinc/31/58/21/985315821.db2.gz AUPOEEDKJUMNRU-NXEZZACHSA-N 0 0 233.271 2.369 20 5 BEBDRN C[C@H]1COC[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000688023035 985492707 /nfs/dbraw/zinc/49/27/07/985492707.db2.gz GVHHLBONFFYFAM-XVKPBYJWSA-N 0 0 240.234 2.181 20 5 BEBDRN C[C@H]1C[C@@H]1c1nnc(-c2ccc([N+](=O)[O-])o2)o1 ZINC001256616841 987246280 /nfs/dbraw/zinc/24/62/80/987246280.db2.gz JPMKBXRCCSWUFH-WDSKDSINSA-N 0 0 235.199 2.361 20 5 BEBDRN C[C@H]1C[C@H]1c1nnc(-c2ccc([N+](=O)[O-])cn2)o1 ZINC001256710276 987268322 /nfs/dbraw/zinc/26/83/22/987268322.db2.gz SWBOCGLXSVQVAU-POYBYMJQSA-N 0 0 246.226 2.163 20 5 BEBDRN C[C@H]1C[C@H]1c1nnc(-c2cccc([N+](=O)[O-])n2)o1 ZINC001256718016 987273487 /nfs/dbraw/zinc/27/34/87/987273487.db2.gz OAWWEOGLJSPDJE-NKWVEPMBSA-N 0 0 246.226 2.163 20 5 BEBDRN CCc1nnc(Cc2cccc([N+](=O)[O-])c2C)o1 ZINC001118128632 988034874 /nfs/dbraw/zinc/03/48/74/988034874.db2.gz GYWATFPGCIZFJT-UHFFFAOYSA-N 0 0 247.254 2.439 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1-c1nnc(C(C)C)o1 ZINC001322091477 988104372 /nfs/dbraw/zinc/10/43/72/988104372.db2.gz KLEQALLLYYOZFG-UHFFFAOYSA-N 0 0 248.242 2.472 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC=CCC1 ZINC001323118714 988454194 /nfs/dbraw/zinc/45/41/94/988454194.db2.gz KHLBPQHTQJRKCW-SNVBAGLBSA-N 0 0 233.271 2.241 20 5 BEBDRN CC/C=C/CNc1c(C)cncc1[N+](=O)[O-] ZINC001324424470 988835592 /nfs/dbraw/zinc/83/55/92/988835592.db2.gz KZXQUJDJGUTRDN-SNAWJCMRSA-N 0 0 221.260 2.098 20 5 BEBDRN Cc1nc(N2CC3CCC2CC3)ncc1[N+](=O)[O-] ZINC001324716313 988941065 /nfs/dbraw/zinc/94/10/65/988941065.db2.gz MEAPAWQVNVMJJX-UHFFFAOYSA-N 0 0 248.286 2.072 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CC12CCCC2 ZINC001517192505 989207734 /nfs/dbraw/zinc/20/77/34/989207734.db2.gz HSHASRSNMIIVOS-NXEZZACHSA-N 0 0 241.287 2.165 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC[C@H]1C ZINC001517179286 989208133 /nfs/dbraw/zinc/20/81/33/989208133.db2.gz LDVRWVSFTAIOIW-MXWKQRLJSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1cscn1 ZINC001249545594 989307376 /nfs/dbraw/zinc/30/73/76/989307376.db2.gz GCBBPAZWVVXGSV-UHFFFAOYSA-N 0 0 236.256 2.498 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC1CCCCC1 ZINC001326183499 989412371 /nfs/dbraw/zinc/41/23/71/989412371.db2.gz MPCWJDXRDWQURJ-UHFFFAOYSA-N 0 0 235.287 2.465 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CC[C@H](C)CC1 ZINC001520099685 989507231 /nfs/dbraw/zinc/50/72/31/989507231.db2.gz VBPKMYBKCWILDY-DCAQKATOSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NCCC(F)(F)F ZINC001326408869 989536339 /nfs/dbraw/zinc/53/63/39/989536339.db2.gz RSTOTONWISHSLH-UHFFFAOYSA-N 0 0 249.192 2.084 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CC=CCC1 ZINC001326434546 989550936 /nfs/dbraw/zinc/55/09/36/989550936.db2.gz XIGVDBKTLUDWPP-UHFFFAOYSA-N 0 0 219.244 2.065 20 5 BEBDRN Cc1nc(N[C@@H]2CC[C@@H]3C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001326767109 989693701 /nfs/dbraw/zinc/69/37/01/989693701.db2.gz NUPJFKPALDHGCF-OPRDCNLKSA-N 0 0 248.286 2.294 20 5 BEBDRN Cc1nc(N[C@@H](C)C2(C)CC2)ncc1[N+](=O)[O-] ZINC001120882517 989947059 /nfs/dbraw/zinc/94/70/59/989947059.db2.gz CWRQSOZBINBUJW-QMMMGPOBSA-N 0 0 236.275 2.294 20 5 BEBDRN Cc1cc(NC(=O)[C@H]2C[C@@H]2F)ccc1[N+](=O)[O-] ZINC001121088879 990008890 /nfs/dbraw/zinc/00/88/90/990008890.db2.gz TVNNWVZRFJIDOS-IUCAKERBSA-N 0 0 238.218 2.200 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1cc(C)oc1C ZINC001526648821 990164550 /nfs/dbraw/zinc/16/45/50/990164550.db2.gz IVPUUMMGVHTFTF-SECBINFHSA-N 0 0 241.243 2.109 20 5 BEBDRN Cc1nocc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC001530370255 990370812 /nfs/dbraw/zinc/37/08/12/990370812.db2.gz YWDLUIKLAQHCRK-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN CC(=O)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC001533475934 990430346 /nfs/dbraw/zinc/43/03/46/990430346.db2.gz BQRUVFPMQXJFGQ-UHFFFAOYSA-N 0 0 231.211 2.101 20 5 BEBDRN O=C(Nc1ccns1)c1ccc([N+](=O)[O-])cc1 ZINC001535472938 990471447 /nfs/dbraw/zinc/47/14/47/990471447.db2.gz JNSGVTYIHVRQMQ-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(C)cc1 ZINC001123254504 990535306 /nfs/dbraw/zinc/53/53/06/990535306.db2.gz BNYYOVLLQLYXID-LLVKDONJSA-N 0 0 237.255 2.207 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)C1CCCC1 ZINC001123355985 990558192 /nfs/dbraw/zinc/55/81/92/990558192.db2.gz YGPDZGUYXUFICJ-MWLCHTKSSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1c(C)coc1C ZINC001123355602 990558816 /nfs/dbraw/zinc/55/88/16/990558816.db2.gz UBOBGOQMKHHYKS-SECBINFHSA-N 0 0 241.243 2.109 20 5 BEBDRN CCC/C(C)=C/C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001558335567 990938264 /nfs/dbraw/zinc/93/82/64/990938264.db2.gz ICGRYEICPIXEJY-FNORWQNLSA-N 0 0 238.247 2.003 20 5 BEBDRN CCc1cn(Cc2ccccc2[N+](=O)[O-])cn1 ZINC001559465958 991112606 /nfs/dbraw/zinc/11/26/06/991112606.db2.gz HMMORUUQUFDKRA-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN O=C(OCCF)Oc1cccc([N+](=O)[O-])c1 ZINC001309000548 991254521 /nfs/dbraw/zinc/25/45/21/991254521.db2.gz BRNLSZKTRFWNKD-UHFFFAOYSA-N 0 0 229.163 2.080 20 5 BEBDRN Cc1nc(NCCCC(F)F)ncc1[N+](=O)[O-] ZINC001262373180 992867622 /nfs/dbraw/zinc/86/76/22/992867622.db2.gz OQDIVDQKZYWPOF-UHFFFAOYSA-N 0 0 246.217 2.150 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1C[C@@H]1F ZINC001262737578 993057885 /nfs/dbraw/zinc/05/78/85/993057885.db2.gz JBUWKURRWFLQFR-RQJHMYQMSA-N 0 0 242.181 2.030 20 5 BEBDRN O=C(OC1CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001263470670 993328302 /nfs/dbraw/zinc/32/83/02/993328302.db2.gz IVBCGDJTDDJELW-NEPJUHHUSA-N 0 0 247.250 2.404 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)/C=C\c1ccccc1 ZINC001263623608 993430294 /nfs/dbraw/zinc/43/02/94/993430294.db2.gz VNNNPQDETKPXBT-LAUAKBEESA-N 0 0 249.266 2.298 20 5 BEBDRN O=[N+]([O-])c1c(F)cc(F)cc1NC1CSC1 ZINC000702369631 993998304 /nfs/dbraw/zinc/99/83/04/993998304.db2.gz IARHFCLDZHZTAW-UHFFFAOYSA-N 0 0 246.238 2.400 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001307234713 994876253 /nfs/dbraw/zinc/87/62/53/994876253.db2.gz IIQZRZARRXHHPB-MKPLZMMCSA-N 0 0 234.255 2.327 20 5 BEBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1(C)CC1 ZINC001336732229 995089413 /nfs/dbraw/zinc/08/94/13/995089413.db2.gz RDANXISDOBMNLH-SSDOTTSWSA-N 0 0 238.243 2.106 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(SCc2ccco2)n1 ZINC001306913489 995271822 /nfs/dbraw/zinc/27/18/22/995271822.db2.gz BSJYZFZZHZQOGZ-UHFFFAOYSA-N 0 0 239.256 2.214 20 5 BEBDRN O=[N+]([O-])c1ccc(Oc2cncc(F)c2)nc1 ZINC001307235160 995306207 /nfs/dbraw/zinc/30/62/07/995306207.db2.gz MCHAUUOQEFTRQC-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN O=[N+]([O-])c1sccc1Nc1cn[nH]c1 ZINC001612753456 1170464237 /nfs/dbraw/zinc/46/42/37/1170464237.db2.gz FYQKDBHJGOVDMZ-UHFFFAOYSA-N 0 0 210.218 2.123 20 5 BEBDRN Nc1cc(C2CC2)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000015440725 1170567599 /nfs/dbraw/zinc/56/75/99/1170567599.db2.gz WHVOQDUVGFZNLX-UHFFFAOYSA-N 0 0 244.254 2.240 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCOC2)s1 ZINC000048999949 1171666375 /nfs/dbraw/zinc/66/63/75/1171666375.db2.gz ZUEXUVBMERAABW-SSDOTTSWSA-N 0 0 228.273 2.105 20 5 BEBDRN O=[N+]([O-])c1ccnn1CCCc1ccsc1 ZINC000360936859 398149324 /nfs/dbraw/zinc/14/93/24/398149324.db2.gz UANOBSNMBGESOP-UHFFFAOYSA-N 0 0 237.284 2.486 20 5 BEBDRN CC(C)OC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000113710739 136217074 /nfs/dbraw/zinc/21/70/74/136217074.db2.gz OWNUJJWWAMAENK-UHFFFAOYSA-N 0 0 227.191 2.299 20 5 BEBDRN Cc1cc(N(CCO)C(C)C)ccc1[N+](=O)[O-] ZINC000040452577 178101882 /nfs/dbraw/zinc/10/18/82/178101882.db2.gz RBHSFTZZRNGDHP-UHFFFAOYSA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1cc(N2CC(F)C2)ccc1[N+](=O)[O-] ZINC000335001455 178112538 /nfs/dbraw/zinc/11/25/38/178112538.db2.gz LMVHSWVKMUGAMT-UHFFFAOYSA-N 0 0 210.208 2.061 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@@H]2C)c1 ZINC000266039532 398209171 /nfs/dbraw/zinc/20/91/71/398209171.db2.gz GIZSWUCDJYFYTI-UWVGGRQHSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1cnc(S[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000576328207 365566452 /nfs/dbraw/zinc/56/64/52/365566452.db2.gz BVBVJFKTLWCYIH-MRVPVSSYSA-N 0 0 240.284 2.179 20 5 BEBDRN Cc1cc(NC[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000037998942 178167719 /nfs/dbraw/zinc/16/77/19/178167719.db2.gz YSJKXRNIUCFHNF-JTQLQIEISA-N 0 0 236.271 2.352 20 5 BEBDRN Cc1cc(NC[C@H](C)CCO)ccc1[N+](=O)[O-] ZINC000097442748 178168376 /nfs/dbraw/zinc/16/83/76/178168376.db2.gz POYHPPOIGJWWOL-SECBINFHSA-N 0 0 238.287 2.334 20 5 BEBDRN Cc1cc(NC[C@H](C)CO)c(F)cc1[N+](=O)[O-] ZINC000310182022 178168391 /nfs/dbraw/zinc/16/83/91/178168391.db2.gz XLQMVPIJOHCLJU-ZETCQYMHSA-N 0 0 242.250 2.083 20 5 BEBDRN Cc1cc(NCc2ccn(C)n2)ccc1[N+](=O)[O-] ZINC000212173186 178174199 /nfs/dbraw/zinc/17/41/99/178174199.db2.gz CRVXZDKCPXRMMG-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cc(N[C@H]2C=C[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000356750455 178187132 /nfs/dbraw/zinc/18/71/32/178187132.db2.gz ZGYFPSLUSBVYKC-PWSUYJOCSA-N 0 0 248.282 2.252 20 5 BEBDRN Cc1cc(Nc2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000301059717 178193615 /nfs/dbraw/zinc/19/36/15/178193615.db2.gz ADHKJLCFPLHBHM-UHFFFAOYSA-N 0 0 218.216 2.370 20 5 BEBDRN Cc1cc(OCCCO)c(Cl)cc1[N+](=O)[O-] ZINC000309193616 178210698 /nfs/dbraw/zinc/21/06/98/178210698.db2.gz JIWWMZOLPGLFNX-UHFFFAOYSA-N 0 0 245.662 2.318 20 5 BEBDRN Cc1cc(OCC[C@@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000123654302 178210808 /nfs/dbraw/zinc/21/08/08/178210808.db2.gz KNHCGNVPGKIHCX-MRVPVSSYSA-N 0 0 243.234 2.192 20 5 BEBDRN Cc1cc(OCc2ccc([N+](=O)[O-])cc2)nn1C ZINC000159749998 178211775 /nfs/dbraw/zinc/21/17/75/178211775.db2.gz KTZIMXWJTBLLRU-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1cc(SC[C@H](C)CO)ncc1[N+](=O)[O-] ZINC000081275342 178218818 /nfs/dbraw/zinc/21/88/18/178218818.db2.gz URXIFURIKDFEQY-SSDOTTSWSA-N 0 0 242.300 2.019 20 5 BEBDRN Cc1cc(S[C@@H](C)[C@H](C)O)ncc1[N+](=O)[O-] ZINC000220212540 178220130 /nfs/dbraw/zinc/22/01/30/178220130.db2.gz HQRHWKZFYSRCAR-YUMQZZPRSA-N 0 0 242.300 2.160 20 5 BEBDRN Cc1cc(S[C@H](C)[C@H](C)O)ncc1[N+](=O)[O-] ZINC000220212595 178220276 /nfs/dbraw/zinc/22/02/76/178220276.db2.gz HQRHWKZFYSRCAR-JGVFFNPUSA-N 0 0 242.300 2.160 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NCC(C)C ZINC000052812166 178274140 /nfs/dbraw/zinc/27/41/40/178274140.db2.gz NEMVBBWZHFHYHB-UHFFFAOYSA-N 0 0 209.249 2.366 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1CNCC(F)F ZINC000298186230 178271081 /nfs/dbraw/zinc/27/10/81/178271081.db2.gz WILLLCQSRDMVQR-UHFFFAOYSA-N 0 0 230.214 2.258 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OC[C@H]1CCOC1 ZINC000330465375 178272191 /nfs/dbraw/zinc/27/21/91/178272191.db2.gz VRTNDVHGSPOYSO-JTQLQIEISA-N 0 0 237.255 2.319 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCc1cnn(C)c1 ZINC000037061672 178272568 /nfs/dbraw/zinc/27/25/68/178272568.db2.gz CMAYIMCXAQFUGJ-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn(CCCCCF)c1=O ZINC000284591700 178273573 /nfs/dbraw/zinc/27/35/73/178273573.db2.gz YAZGARYFEZVVNV-UHFFFAOYSA-N 0 0 242.250 2.205 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1S[C@@H](C)[C@@H](C)O ZINC000092658819 178275023 /nfs/dbraw/zinc/27/50/23/178275023.db2.gz LWEFGUKIMOSFSG-SFYZADRCSA-N 0 0 242.300 2.160 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1N1CC[C@H](C)C1 ZINC000576620961 365641017 /nfs/dbraw/zinc/64/10/17/365641017.db2.gz LHEXBKRXVQWUSQ-VIFPVBQESA-N 0 0 236.271 2.450 20 5 BEBDRN O=[N+]([O-])c1ccc(SCCCO)cc1 ZINC000035650330 342753938 /nfs/dbraw/zinc/75/39/38/342753938.db2.gz XILUWJCKAFDLLU-UHFFFAOYSA-N 0 0 213.258 2.069 20 5 BEBDRN CCN(C(=O)c1ccc([N+](=O)[O-])o1)C(C)C ZINC000298844802 398305288 /nfs/dbraw/zinc/30/52/88/398305288.db2.gz DKOPYLUBMNJZGF-UHFFFAOYSA-N 0 0 226.232 2.058 20 5 BEBDRN C[C@H](CO)[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000077227982 398307505 /nfs/dbraw/zinc/30/75/05/398307505.db2.gz BMELPPIUERPGHW-BDAKNGLRSA-N 0 0 224.260 2.024 20 5 BEBDRN CC[C@H](CCO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000077232687 398307675 /nfs/dbraw/zinc/30/76/75/398307675.db2.gz CKLDRIDEOBAPNQ-SECBINFHSA-N 0 0 242.250 2.307 20 5 BEBDRN CC[C@H](CCO)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000077232081 398307888 /nfs/dbraw/zinc/30/78/88/398307888.db2.gz VDPVLDMEPCBZBT-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN CC(C)[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000447067157 201707000 /nfs/dbraw/zinc/70/70/00/201707000.db2.gz JJVCWGBSGKDOHZ-JTQLQIEISA-N 0 0 235.287 2.472 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCCC1CC1 ZINC000157391186 398318973 /nfs/dbraw/zinc/31/89/73/398318973.db2.gz ZHGZNAZJIXURJC-UHFFFAOYSA-N 0 0 207.233 2.202 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCCO)c(Cl)c1 ZINC000035100116 342882299 /nfs/dbraw/zinc/88/22/99/342882299.db2.gz YDXHBOGWNAEKNL-UHFFFAOYSA-N 0 0 231.635 2.009 20 5 BEBDRN CN(Cc1cc[nH]n1)c1ccsc1[N+](=O)[O-] ZINC000609564028 342884354 /nfs/dbraw/zinc/88/43/54/342884354.db2.gz PSNISBCZSZTZEJ-UHFFFAOYSA-N 0 0 238.272 2.016 20 5 BEBDRN Cc1ccnc(NC[C@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000123850299 398312698 /nfs/dbraw/zinc/31/26/98/398312698.db2.gz YVTFPSIWKLLRRT-DTWKUNHWSA-N 0 0 221.260 2.366 20 5 BEBDRN CC(C)[C@H]1CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450815716 398328756 /nfs/dbraw/zinc/32/87/56/398328756.db2.gz TZTZMPBSPPZUTB-SNVBAGLBSA-N 0 0 221.260 2.225 20 5 BEBDRN CC[C@@](C)(CNc1cccnc1[N+](=O)[O-])OC ZINC000322575727 344011535 /nfs/dbraw/zinc/01/15/35/344011535.db2.gz BSELLNOPVUPESF-NSHDSACASA-N 0 0 239.275 2.217 20 5 BEBDRN COC[C@@H](C)N(C)c1ccccc1[N+](=O)[O-] ZINC000171987791 398329303 /nfs/dbraw/zinc/32/93/03/398329303.db2.gz ZZDIGQFYMOYMRW-SECBINFHSA-N 0 0 224.260 2.066 20 5 BEBDRN CC[C@@H](C)[C@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000042557142 362007531 /nfs/dbraw/zinc/00/75/31/362007531.db2.gz MRXFCQSQWAYTTM-SFYZADRCSA-N 0 0 240.307 2.483 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(OCC2CC2)c1 ZINC000569693076 323037069 /nfs/dbraw/zinc/03/70/69/323037069.db2.gz QUAXEUGRJXZWCN-UHFFFAOYSA-N 0 0 223.228 2.392 20 5 BEBDRN CCOc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000039099826 343383616 /nfs/dbraw/zinc/38/36/16/343383616.db2.gz PPYXWVQHNXBQND-UHFFFAOYSA-N 0 0 211.217 2.392 20 5 BEBDRN Cc1cnn(C)c1/C=C\c1ccc([N+](=O)[O-])cn1 ZINC000349106985 136323261 /nfs/dbraw/zinc/32/32/61/136323261.db2.gz IYXZOWHLPBGGQI-XQRVVYSFSA-N 0 0 244.254 2.202 20 5 BEBDRN C[C@@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000157212018 133482867 /nfs/dbraw/zinc/48/28/67/133482867.db2.gz MFNAQDDFYMFDEG-HTQZYQBOSA-N 0 0 238.243 2.106 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(Oc2ncccn2)c1 ZINC000068125678 362200468 /nfs/dbraw/zinc/20/04/68/362200468.db2.gz HEBFGNRGXPZCMM-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN Cc1ccc(CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000077931456 178537882 /nfs/dbraw/zinc/53/78/82/178537882.db2.gz VYBPMVVJIBGBCY-UHFFFAOYSA-N 0 0 231.255 2.342 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H]1C ZINC000049378144 343596615 /nfs/dbraw/zinc/59/66/15/343596615.db2.gz OLXBYDMXQQOKJE-NXEZZACHSA-N 0 0 248.282 2.289 20 5 BEBDRN CC(C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052602032 343637138 /nfs/dbraw/zinc/63/71/38/343637138.db2.gz PSDFNBOIYQKHPA-UHFFFAOYSA-N 0 0 247.254 2.214 20 5 BEBDRN CN(CC1CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000047919654 343647695 /nfs/dbraw/zinc/64/76/95/343647695.db2.gz HZEUCTUQEWNNRH-UHFFFAOYSA-N 0 0 234.255 2.077 20 5 BEBDRN C[C@@H](O)C[C@@H](C)Nc1sccc1[N+](=O)[O-] ZINC000309064761 349829793 /nfs/dbraw/zinc/82/97/93/349829793.db2.gz YSZTUCHMHPMAPL-RNFRBKRXSA-N 0 0 230.289 2.228 20 5 BEBDRN CC(C)[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000334256790 343850240 /nfs/dbraw/zinc/85/02/40/343850240.db2.gz AUACZKCLGNKOQK-GFCCVEGCSA-N 0 0 248.282 2.465 20 5 BEBDRN CC(C)[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000334424882 343879105 /nfs/dbraw/zinc/87/91/05/343879105.db2.gz UBMDPGKRBGNWPW-QMMMGPOBSA-N 0 0 238.243 2.058 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1N1CC(CF)C1 ZINC000334579225 343893348 /nfs/dbraw/zinc/89/33/48/343893348.db2.gz LAZCZKAGTCYXAR-UHFFFAOYSA-N 0 0 228.198 2.140 20 5 BEBDRN O=[N+]([O-])c1cnn(C[C@@H]2CCCC2(F)F)c1 ZINC000334686509 343901176 /nfs/dbraw/zinc/90/11/76/343901176.db2.gz TYGURFFBBYIPOA-ZETCQYMHSA-N 0 0 231.202 2.227 20 5 BEBDRN CCn1ccc(NCc2ccccc2[N+](=O)[O-])n1 ZINC000305945785 343915958 /nfs/dbraw/zinc/91/59/58/343915958.db2.gz BYVBJGWJHGSYSI-UHFFFAOYSA-N 0 0 246.270 2.423 20 5 BEBDRN C[C@H]1CN(c2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000610587418 343973444 /nfs/dbraw/zinc/97/34/44/343973444.db2.gz VUHBFNWOUBITSV-IUCAKERBSA-N 0 0 221.260 2.082 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)[C@H]1C ZINC000610588424 343973758 /nfs/dbraw/zinc/97/37/58/343973758.db2.gz ZUVMECRCYORPQO-BDAKNGLRSA-N 0 0 221.260 2.225 20 5 BEBDRN CN(C[C@H]1CCOC1)c1ccsc1[N+](=O)[O-] ZINC000610515790 343967110 /nfs/dbraw/zinc/96/71/10/343967110.db2.gz JEROCYLBIRKQTG-MRVPVSSYSA-N 0 0 242.300 2.129 20 5 BEBDRN C[C@H]1OCCN(c2ccc([N+](=O)[O-])s2)[C@H]1C ZINC000610808194 344155297 /nfs/dbraw/zinc/15/52/97/344155297.db2.gz WGLYZIUQGCFZIF-JGVFFNPUSA-N 0 0 242.300 2.270 20 5 BEBDRN O=[N+]([O-])c1cccc(CN2CC(C(F)F)C2)c1 ZINC000610892670 344159262 /nfs/dbraw/zinc/15/92/62/344159262.db2.gz PZHCYWKERIKRDB-UHFFFAOYSA-N 0 0 242.225 2.292 20 5 BEBDRN C/C=C/CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000600492277 344239490 /nfs/dbraw/zinc/23/94/90/344239490.db2.gz QHKZKYKRWQNWJF-HMDXOVGESA-N 0 0 248.282 2.391 20 5 BEBDRN Cc1ccnc(N2CC(C(C)C)C2)c1[N+](=O)[O-] ZINC000611078693 344244769 /nfs/dbraw/zinc/24/47/69/344244769.db2.gz CGVFOQMTGVYGEH-UHFFFAOYSA-N 0 0 235.287 2.390 20 5 BEBDRN CC[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000611084491 344246745 /nfs/dbraw/zinc/24/67/45/344246745.db2.gz BEGBEEMDANQRBZ-NSHDSACASA-N 0 0 249.314 2.125 20 5 BEBDRN Cc1cc(CNc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000611132979 344263241 /nfs/dbraw/zinc/26/32/41/344263241.db2.gz SHXDAPHSMHJFFX-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cnc(Oc2ccccc2[N+](=O)[O-])nc1 ZINC000611142725 344266177 /nfs/dbraw/zinc/26/61/77/344266177.db2.gz FJCUNFSHLFECQF-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC(F)F)s1 ZINC000306580211 344279146 /nfs/dbraw/zinc/27/91/46/344279146.db2.gz YFANXDUNQPZCIC-UHFFFAOYSA-N 0 0 208.189 2.333 20 5 BEBDRN Cc1nc(N2CC(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000611078761 344243959 /nfs/dbraw/zinc/24/39/59/344243959.db2.gz OPSZZWJDXOFRMG-UHFFFAOYSA-N 0 0 235.287 2.390 20 5 BEBDRN C[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C[C@@H]1C ZINC000611227968 344365430 /nfs/dbraw/zinc/36/54/30/344365430.db2.gz KETBZMGCLJQKSY-ZJUUUORDSA-N 0 0 235.287 2.472 20 5 BEBDRN CC1(C)CCC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000094326279 344327754 /nfs/dbraw/zinc/32/77/54/344327754.db2.gz GHXVATHPZGBRMV-VIFPVBQESA-N 0 0 236.275 2.375 20 5 BEBDRN CC1(C)CCC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000094326280 344328090 /nfs/dbraw/zinc/32/80/90/344328090.db2.gz GHXVATHPZGBRMV-SECBINFHSA-N 0 0 236.275 2.375 20 5 BEBDRN O=[N+]([O-])c1ncccc1NC[C@H]1CCCS1 ZINC000158064467 344367019 /nfs/dbraw/zinc/36/70/19/344367019.db2.gz VXGFHYJAKNJHQS-MRVPVSSYSA-N 0 0 239.300 2.297 20 5 BEBDRN CN(C(=O)c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000060848043 344397469 /nfs/dbraw/zinc/39/74/69/344397469.db2.gz PHHISPATLFMQLV-UHFFFAOYSA-N 0 0 246.222 2.464 20 5 BEBDRN Cc1nc(N2CCCCCO2)ccc1[N+](=O)[O-] ZINC000408289974 344451857 /nfs/dbraw/zinc/45/18/57/344451857.db2.gz GTHCFPCMQGLSEB-UHFFFAOYSA-N 0 0 237.259 2.220 20 5 BEBDRN CCOCCN(C)c1ccc([N+](=O)[O-])s1 ZINC000611306852 344470110 /nfs/dbraw/zinc/47/01/10/344470110.db2.gz GJJMPIRJMZCPEJ-UHFFFAOYSA-N 0 0 230.289 2.129 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]1C ZINC000603266817 344472865 /nfs/dbraw/zinc/47/28/65/344472865.db2.gz NKXFPFSBLCTYSP-SNVBAGLBSA-N 0 0 248.282 2.446 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]1C ZINC000603266031 344472913 /nfs/dbraw/zinc/47/29/13/344472913.db2.gz JMRUHUINIHTHTN-SECBINFHSA-N 0 0 234.255 2.138 20 5 BEBDRN CC1CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000408313215 344487082 /nfs/dbraw/zinc/48/70/82/344487082.db2.gz GHADWZBTPSHLDC-UHFFFAOYSA-N 0 0 227.651 2.099 20 5 BEBDRN C[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000611377954 344495893 /nfs/dbraw/zinc/49/58/93/344495893.db2.gz ZSWIXJMTSFFQAD-YWVKMMECSA-N 0 0 248.282 2.428 20 5 BEBDRN Cc1cnc(NCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000085426821 344529829 /nfs/dbraw/zinc/52/98/29/344529829.db2.gz AMIYIKLRPQNUFH-UHFFFAOYSA-N 0 0 235.165 2.272 20 5 BEBDRN CC[C@@H]1CN(c2sccc2[N+](=O)[O-])CCO1 ZINC000611411379 344535098 /nfs/dbraw/zinc/53/50/98/344535098.db2.gz PCJZZKMVSNWVLE-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC[C@@H](C)CO ZINC000158226920 344567934 /nfs/dbraw/zinc/56/79/34/344567934.db2.gz XFBHAZJIZJOZQU-MRVPVSSYSA-N 0 0 238.287 2.252 20 5 BEBDRN COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000047916720 344580786 /nfs/dbraw/zinc/58/07/86/344580786.db2.gz JNPDZHYDNQOYMZ-ZETCQYMHSA-N 0 0 241.268 2.248 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC3(CCO3)CC2)cc1 ZINC000220969309 344650606 /nfs/dbraw/zinc/65/06/06/344650606.db2.gz RFCWFLPXBFLNSE-UHFFFAOYSA-N 0 0 248.282 2.354 20 5 BEBDRN CCC(=O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000050181565 344729447 /nfs/dbraw/zinc/72/94/47/344729447.db2.gz NUDCBKCWCBACRU-UHFFFAOYSA-N 0 0 223.228 2.261 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1CN1CC=CCC1 ZINC000611517552 344747832 /nfs/dbraw/zinc/74/78/32/344747832.db2.gz OUNLIQFOXKJVCB-UHFFFAOYSA-N 0 0 248.282 2.365 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N1CC=CCC1 ZINC000611512190 344748766 /nfs/dbraw/zinc/74/87/66/344748766.db2.gz VRCMGRKAGNLGER-UHFFFAOYSA-N 0 0 247.254 2.389 20 5 BEBDRN Cc1cc(N(C)CC(C)C)ncc1[N+](=O)[O-] ZINC000074744181 344754338 /nfs/dbraw/zinc/75/43/38/344754338.db2.gz DCFRQTZHYIIRRB-UHFFFAOYSA-N 0 0 223.276 2.390 20 5 BEBDRN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@H]1C ZINC000408464536 344823099 /nfs/dbraw/zinc/82/30/99/344823099.db2.gz FEPHESWSBOICIW-SFYZADRCSA-N 0 0 239.250 2.364 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCc1ccno1 ZINC000077910334 344831422 /nfs/dbraw/zinc/83/14/22/344831422.db2.gz PDXGVVXBOAYGRZ-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN Cc1ccc(NC2CCOCC2)c([N+](=O)[O-])c1 ZINC000036320051 178756379 /nfs/dbraw/zinc/75/63/79/178756379.db2.gz WDOQBCQHJFGVEQ-UHFFFAOYSA-N 0 0 236.271 2.494 20 5 BEBDRN CN(CC1(O)CCC1)c1ccc([N+](=O)[O-])s1 ZINC000612662646 344917420 /nfs/dbraw/zinc/91/74/20/344917420.db2.gz LQDDCPPXXAZRAX-UHFFFAOYSA-N 0 0 242.300 2.008 20 5 BEBDRN CN(CC1(O)CCC1)c1ccsc1[N+](=O)[O-] ZINC000612662633 344917557 /nfs/dbraw/zinc/91/75/57/344917557.db2.gz ILHUOZFESDQZLZ-UHFFFAOYSA-N 0 0 242.300 2.008 20 5 BEBDRN Cc1ccc(OCC(=O)C(F)F)cc1[N+](=O)[O-] ZINC000282696698 178809504 /nfs/dbraw/zinc/80/95/04/178809504.db2.gz XNHUEJJMJHBUIG-UHFFFAOYSA-N 0 0 245.181 2.116 20 5 BEBDRN Cc1ccc(OCc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000271357386 178815725 /nfs/dbraw/zinc/81/57/25/178815725.db2.gz XIJIDKNZCDXCGV-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)nc1NCC(F)F ZINC000148005844 345194776 /nfs/dbraw/zinc/19/47/76/345194776.db2.gz UONMPJFZGSHSGO-UHFFFAOYSA-N 0 0 237.593 2.320 20 5 BEBDRN COCCCN(C)c1ccc(C)cc1[N+](=O)[O-] ZINC000080591748 345314615 /nfs/dbraw/zinc/31/46/15/345314615.db2.gz IWBMJEQETHZUBJ-UHFFFAOYSA-N 0 0 238.287 2.376 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N1CCO[C@@H](C)C1 ZINC000080542219 345292748 /nfs/dbraw/zinc/29/27/48/345292748.db2.gz WYQCAKFQBFCVNX-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1nc(N[C@@H]2C[C@H]2C2CCC2)ncc1[N+](=O)[O-] ZINC000425274974 192087891 /nfs/dbraw/zinc/08/78/91/192087891.db2.gz SJJAPFJUBNPBNY-VHSXEESVSA-N 0 0 248.286 2.294 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC12CC2 ZINC000425272862 192087356 /nfs/dbraw/zinc/08/73/56/192087356.db2.gz MOKUNTWPSRRWLP-QMMMGPOBSA-N 0 0 236.275 2.084 20 5 BEBDRN CSCCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000091007422 345579605 /nfs/dbraw/zinc/57/96/05/345579605.db2.gz IEXYXYQLWJJWSW-UHFFFAOYSA-N 0 0 231.248 2.476 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[C@H](C)O)c1 ZINC000158866059 345633160 /nfs/dbraw/zinc/63/31/60/345633160.db2.gz CKKJUSFZIGTKEK-UWVGGRQHSA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NCCn1cccc1 ZINC000092667297 345634418 /nfs/dbraw/zinc/63/44/18/345634418.db2.gz GQPIZJNSPWTUOB-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N1CCSCC1 ZINC000117191068 345678404 /nfs/dbraw/zinc/67/84/04/345678404.db2.gz VYSYPJGMTKMXGH-UHFFFAOYSA-N 0 0 238.312 2.456 20 5 BEBDRN COCCCOc1cc(OC)ccc1[N+](=O)[O-] ZINC000200718542 345729059 /nfs/dbraw/zinc/72/90/59/345729059.db2.gz ORISQYHUMNGTPD-UHFFFAOYSA-N 0 0 241.243 2.019 20 5 BEBDRN C[C@@H](NC(=O)[C@H]1C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000613580047 345809857 /nfs/dbraw/zinc/80/98/57/345809857.db2.gz SWNRTKMQIUYSST-SBMIAAHKSA-N 0 0 248.282 2.428 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@@H]2C)n1 ZINC000133019139 178928821 /nfs/dbraw/zinc/92/88/21/178928821.db2.gz XZECUPLTSRDGIG-CBAPKCEASA-N 0 0 221.260 2.366 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)C ZINC000067020245 178931345 /nfs/dbraw/zinc/93/13/45/178931345.db2.gz VHXAVMFBOAOZRJ-UHFFFAOYSA-N 0 0 236.271 2.289 20 5 BEBDRN CO[C@H](CC(C)C)Cn1cc(C)c([N+](=O)[O-])n1 ZINC000418977443 192093505 /nfs/dbraw/zinc/09/35/05/192093505.db2.gz WXUYEDOMLKNMAG-SNVBAGLBSA-N 0 0 241.291 2.161 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N1C2CCC1CC2 ZINC000601101888 346024997 /nfs/dbraw/zinc/02/49/97/346024997.db2.gz WRUZKRMVQVEJSO-UHFFFAOYSA-N 0 0 237.234 2.260 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1OCC(F)F ZINC000586250651 346030127 /nfs/dbraw/zinc/03/01/27/346030127.db2.gz YMFQZBBLLOBRBT-UHFFFAOYSA-N 0 0 238.577 2.287 20 5 BEBDRN C[C@@H]1CC[C@@H]1Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401115480 346211998 /nfs/dbraw/zinc/21/19/98/346211998.db2.gz XYXAWIPQGCOFJL-SVRRBLITSA-N 0 0 225.223 2.339 20 5 BEBDRN CN(CCC1CC1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601133233 346213198 /nfs/dbraw/zinc/21/31/98/346213198.db2.gz XVVNSCJTIBVCEL-UHFFFAOYSA-N 0 0 239.250 2.365 20 5 BEBDRN Cc1cccc(CCCn2cnc([N+](=O)[O-])n2)c1 ZINC000182314117 179055597 /nfs/dbraw/zinc/05/55/97/179055597.db2.gz XJDSYRNCIZMXNM-UHFFFAOYSA-N 0 0 246.270 2.128 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N[C@@H]1CCSC1 ZINC000401180555 346397826 /nfs/dbraw/zinc/39/78/26/346397826.db2.gz FEEUHDBMPVIPDW-SSDOTTSWSA-N 0 0 243.263 2.046 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1NCCC1CC1 ZINC000401209012 346454815 /nfs/dbraw/zinc/45/48/15/346454815.db2.gz NLBIHANRPMNTSH-UHFFFAOYSA-N 0 0 225.223 2.341 20 5 BEBDRN CC[C@@H](O)COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290200457 346489117 /nfs/dbraw/zinc/48/91/17/346489117.db2.gz SLNBJHDIDFBSLM-SSDOTTSWSA-N 0 0 245.662 2.398 20 5 BEBDRN CC(C)(F)CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000601206371 346667327 /nfs/dbraw/zinc/66/73/27/346667327.db2.gz XHRQKZMWARCEAL-UHFFFAOYSA-N 0 0 247.657 2.225 20 5 BEBDRN CN(c1ccsc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000588065469 346630581 /nfs/dbraw/zinc/63/05/81/346630581.db2.gz JMKCGZITPFNGCJ-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN Cc1cccc(NC[C@H](O)C(C)C)c1[N+](=O)[O-] ZINC000232691649 179148807 /nfs/dbraw/zinc/14/88/07/179148807.db2.gz YQCZCQSFWZDWMC-NSHDSACASA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1cccc(NCCc2cn[nH]c2)c1[N+](=O)[O-] ZINC000291064221 179146749 /nfs/dbraw/zinc/14/67/49/179146749.db2.gz GEDVCDKRBKWBPU-UHFFFAOYSA-N 0 0 246.270 2.281 20 5 BEBDRN Cc1cccc(NC[C@@H](C)CCO)c1[N+](=O)[O-] ZINC000218863680 179147430 /nfs/dbraw/zinc/14/74/30/179147430.db2.gz YFPQCKJXQOVKFM-VIFPVBQESA-N 0 0 238.287 2.334 20 5 BEBDRN Cc1cccc(Nc2ncc([N+](=O)[O-])cn2)c1 ZINC000302143630 179160159 /nfs/dbraw/zinc/16/01/59/179160159.db2.gz GHEXOYWXORFIJP-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN C[C@H](CO)CCCNc1sccc1[N+](=O)[O-] ZINC000309589101 347111566 /nfs/dbraw/zinc/11/15/66/347111566.db2.gz UCOGGBMBEGCNAV-QMMMGPOBSA-N 0 0 244.316 2.477 20 5 BEBDRN CC1(F)CC(Nc2ncc([N+](=O)[O-])s2)C1 ZINC000577186517 365867064 /nfs/dbraw/zinc/86/70/64/365867064.db2.gz XNFZBFZFWNJIER-UHFFFAOYSA-N 0 0 231.252 2.354 20 5 BEBDRN Cc1cccc(OCC(=O)C2CC2)c1[N+](=O)[O-] ZINC000069083084 179163168 /nfs/dbraw/zinc/16/31/68/179163168.db2.gz FKTVEZBKKRYOHP-UHFFFAOYSA-N 0 0 235.239 2.261 20 5 BEBDRN O=[N+]([O-])c1ccnn1Cc1cc(F)cc(F)c1 ZINC000188191724 346794770 /nfs/dbraw/zinc/79/47/70/346794770.db2.gz CIBOBUKNFCZZCI-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN Cc1cccc(OCCC[C@@H](C)O)c1[N+](=O)[O-] ZINC000310463563 179165402 /nfs/dbraw/zinc/16/54/02/179165402.db2.gz YPNIHVCJPRLEKB-SNVBAGLBSA-N 0 0 239.271 2.443 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCCO1 ZINC000112208802 179206011 /nfs/dbraw/zinc/20/60/11/179206011.db2.gz LLNWTJKFBCUBET-SNVBAGLBSA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NC[C@H]1CCOC1 ZINC000112209161 179206380 /nfs/dbraw/zinc/20/63/80/179206380.db2.gz IXSVVBGAPNJRPF-SNVBAGLBSA-N 0 0 236.271 2.352 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCCCCCO ZINC000228724976 179206978 /nfs/dbraw/zinc/20/69/78/179206978.db2.gz BKRDTGWQCNDFLE-UHFFFAOYSA-N 0 0 238.287 2.478 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NC[C@@H](O)C1CC1 ZINC000098000772 179207040 /nfs/dbraw/zinc/20/70/40/179207040.db2.gz YAIQLTSXLQPOBG-LLVKDONJSA-N 0 0 236.271 2.086 20 5 BEBDRN C[C@@H](CCCO)CNc1ccc([N+](=O)[O-])s1 ZINC000590709423 347498843 /nfs/dbraw/zinc/49/88/43/347498843.db2.gz JGKSHYIYXJVSLN-QMMMGPOBSA-N 0 0 244.316 2.477 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@H](F)C2)c(Cl)c1 ZINC000590714145 347499547 /nfs/dbraw/zinc/49/95/47/347499547.db2.gz BPMUJLITUUWLJE-LURJTMIESA-N 0 0 245.641 2.191 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1CC[C@H](F)C1 ZINC000590714146 347499575 /nfs/dbraw/zinc/49/95/75/347499575.db2.gz BQCMKUCGXHMVQA-LURJTMIESA-N 0 0 216.237 2.205 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC3(CC3)C2)c(Cl)c1 ZINC000590706184 347498020 /nfs/dbraw/zinc/49/80/20/347498020.db2.gz NCVIVTJJKKAKMW-UHFFFAOYSA-N 0 0 239.662 2.243 20 5 BEBDRN CCOC1(C)CN(c2ccc([N+](=O)[O-])s2)C1 ZINC000590706234 347498100 /nfs/dbraw/zinc/49/81/00/347498100.db2.gz YGSIKCRMCKQYND-UHFFFAOYSA-N 0 0 242.300 2.272 20 5 BEBDRN C[C@@H](CCO)CCNc1sccc1[N+](=O)[O-] ZINC000590706071 347498173 /nfs/dbraw/zinc/49/81/73/347498173.db2.gz JBRQWQZKEPGSSK-MRVPVSSYSA-N 0 0 244.316 2.477 20 5 BEBDRN C[C@@H](CCO)CCNc1ccc([N+](=O)[O-])s1 ZINC000590706062 347498175 /nfs/dbraw/zinc/49/81/75/347498175.db2.gz CWPFYSJGXAAFRP-MRVPVSSYSA-N 0 0 244.316 2.477 20 5 BEBDRN C[C@H](CCCO)CNc1ccc([N+](=O)[O-])s1 ZINC000590709422 347498760 /nfs/dbraw/zinc/49/87/60/347498760.db2.gz JGKSHYIYXJVSLN-MRVPVSSYSA-N 0 0 244.316 2.477 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](F)C2)s1 ZINC000590714769 347500167 /nfs/dbraw/zinc/50/01/67/347500167.db2.gz XRGWHJXLJWEYPQ-ZCFIWIBFSA-N 0 0 216.237 2.205 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@H]3C[C@H]32)c(F)c1 ZINC000591160403 347627057 /nfs/dbraw/zinc/62/70/57/347627057.db2.gz LWLYHQTWVXUQHB-OIBJUYFYSA-N 0 0 237.234 2.118 20 5 BEBDRN C[C@@H]1[C@@H](C)[C@H](C)CN1c1ncccc1[N+](=O)[O-] ZINC000591369024 347654832 /nfs/dbraw/zinc/65/48/32/347654832.db2.gz LZEWBWKCRKYAOP-KXUCPTDWSA-N 0 0 235.287 2.471 20 5 BEBDRN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)CO1 ZINC000591995694 347721571 /nfs/dbraw/zinc/72/15/71/347721571.db2.gz ARKICYHFCQRMOM-BQBZGAKWSA-N 0 0 228.273 2.246 20 5 BEBDRN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)CO1 ZINC000591995696 347721661 /nfs/dbraw/zinc/72/16/61/347721661.db2.gz ARKICYHFCQRMOM-RNFRBKRXSA-N 0 0 228.273 2.246 20 5 BEBDRN CC(C)(C)OCCNc1ccncc1[N+](=O)[O-] ZINC000308530819 347801535 /nfs/dbraw/zinc/80/15/35/347801535.db2.gz PYHHOBBVUSZSSG-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN Cc1c[nH]nc1COCc1ccccc1[N+](=O)[O-] ZINC000593237873 347873807 /nfs/dbraw/zinc/87/38/07/347873807.db2.gz UWYSSBGIZJBARI-UHFFFAOYSA-N 0 0 247.254 2.343 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)[C@H](C)CCO)c1 ZINC000593517132 347903386 /nfs/dbraw/zinc/90/33/86/347903386.db2.gz VMKTYZWDAUCAOM-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1ccc(N[C@H](CO)CCF)c([N+](=O)[O-])c1 ZINC000593509323 347901702 /nfs/dbraw/zinc/90/17/02/347901702.db2.gz MJVLIRUCIRSMMD-VIFPVBQESA-N 0 0 242.250 2.036 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1N1CC[C@@H](F)C1 ZINC000594583227 348076836 /nfs/dbraw/zinc/07/68/36/348076836.db2.gz DBTXQPCGXKMNEO-MRVPVSSYSA-N 0 0 240.234 2.152 20 5 BEBDRN O=[N+]([O-])c1cn(CCOCc2ccccc2)cn1 ZINC000594885616 348120334 /nfs/dbraw/zinc/12/03/34/348120334.db2.gz JOQAQKBVTYGUBH-UHFFFAOYSA-N 0 0 247.254 2.008 20 5 BEBDRN O=[N+]([O-])c1ccc(OCC2CC=CC2)cc1CO ZINC000594895511 348128720 /nfs/dbraw/zinc/12/87/20/348128720.db2.gz UDNSFUKOZALGIQ-UHFFFAOYSA-N 0 0 249.266 2.432 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CC1CC=CC1 ZINC000594887721 348121939 /nfs/dbraw/zinc/12/19/39/348121939.db2.gz QLDDTJQFSLMHHA-UHFFFAOYSA-N 0 0 207.233 2.066 20 5 BEBDRN CC(C)=CCCn1cc([N+](=O)[O-])cc(C)c1=O ZINC000594892879 348126585 /nfs/dbraw/zinc/12/65/85/348126585.db2.gz KPAOYZBKQANHFE-UHFFFAOYSA-N 0 0 236.271 2.421 20 5 BEBDRN CC[C@@H](C)N(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595365166 348231209 /nfs/dbraw/zinc/23/12/09/348231209.db2.gz YMSMODPGMKMFKC-SSDOTTSWSA-N 0 0 227.264 2.122 20 5 BEBDRN COCCN(C)c1cc(C)sc1[N+](=O)[O-] ZINC000596084794 348431737 /nfs/dbraw/zinc/43/17/37/348431737.db2.gz MUZIGJKGPJKBFJ-UHFFFAOYSA-N 0 0 230.289 2.047 20 5 BEBDRN O=c1[nH]ccc(NC(C2CC2)C2CC2)c1[N+](=O)[O-] ZINC000596069592 348437416 /nfs/dbraw/zinc/43/74/16/348437416.db2.gz NCGVHKKABSPZMT-UHFFFAOYSA-N 0 0 249.270 2.296 20 5 BEBDRN COC(=O)CSc1cc(C)sc1[N+](=O)[O-] ZINC000596049188 348424545 /nfs/dbraw/zinc/42/45/45/348424545.db2.gz GIUJXAFIMNZRGB-UHFFFAOYSA-N 0 0 247.297 2.230 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000596024049 348424663 /nfs/dbraw/zinc/42/46/63/348424663.db2.gz UJZCZBFSDRICOG-ILWJIGKKSA-N 0 0 221.260 2.146 20 5 BEBDRN Cc1nn(C[C@@H]2C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000596023634 348424737 /nfs/dbraw/zinc/42/47/37/348424737.db2.gz ZVRQNIOVKICUKX-ILWJIGKKSA-N 0 0 221.260 2.146 20 5 BEBDRN Cc1cc(NC[C@@H](C)CO)c([N+](=O)[O-])s1 ZINC000596087397 348443727 /nfs/dbraw/zinc/44/37/27/348443727.db2.gz DZOSDRVJFYVJSI-ZCFIWIBFSA-N 0 0 230.289 2.005 20 5 BEBDRN O=c1[nH]ccc(NC[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000596095114 348445081 /nfs/dbraw/zinc/44/50/81/348445081.db2.gz YVMNDHMIOADAJZ-SECBINFHSA-N 0 0 249.270 2.464 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1C[C@@H]2CCCC[C@@H]21 ZINC000596294201 348489768 /nfs/dbraw/zinc/48/97/68/348489768.db2.gz GIXXQYZOPIVPQB-UWVGGRQHSA-N 0 0 233.271 2.369 20 5 BEBDRN CCC1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596151193 348453333 /nfs/dbraw/zinc/45/33/33/348453333.db2.gz AVPKSSSLILTIDR-UHFFFAOYSA-N 0 0 237.259 2.298 20 5 BEBDRN Cc1noc(Cn2cc(C3CC3)cn2)c1[N+](=O)[O-] ZINC000596303973 348491236 /nfs/dbraw/zinc/49/12/36/348491236.db2.gz HMTLPYPHDSRYNL-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN Cc1cc(N[C@H]2CCOC2)c([N+](=O)[O-])s1 ZINC000596171620 348461114 /nfs/dbraw/zinc/46/11/14/348461114.db2.gz HMVVIZBAFQIORD-ZETCQYMHSA-N 0 0 228.273 2.166 20 5 BEBDRN CC(C)c1ncn(Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000596301523 348491374 /nfs/dbraw/zinc/49/13/74/348491374.db2.gz JDNXWXYSASHIMR-UHFFFAOYSA-N 0 0 246.270 2.358 20 5 BEBDRN CO[C@H](C)CNc1cc(C)sc1[N+](=O)[O-] ZINC000596205099 348465744 /nfs/dbraw/zinc/46/57/44/348465744.db2.gz ZGMSYBBIJHJWDV-ZCFIWIBFSA-N 0 0 230.289 2.412 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[C@H]1C ZINC000596250930 348473784 /nfs/dbraw/zinc/47/37/84/348473784.db2.gz WGPUJGVWKQKYNV-RKDXNWHRSA-N 0 0 221.260 2.143 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H](F)C1 ZINC000596252329 348474041 /nfs/dbraw/zinc/47/40/41/348474041.db2.gz CDUFHMPGCWSUKQ-ZCFIWIBFSA-N 0 0 245.641 2.191 20 5 BEBDRN Cc1nc(N2C[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596251887 348474186 /nfs/dbraw/zinc/47/41/86/348474186.db2.gz YPLYLJVRYWWFMV-CBAPKCEASA-N 0 0 221.260 2.143 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@H]1C(F)F ZINC000596251924 348474208 /nfs/dbraw/zinc/47/42/08/348474208.db2.gz ZOOIIDAXRVEQRA-VIFPVBQESA-N 0 0 228.198 2.439 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)Cc2c[nH]cn2)c1 ZINC000596307548 348492659 /nfs/dbraw/zinc/49/26/59/348492659.db2.gz ZULKSVXVXREQHH-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN CCC1CN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596260550 348477793 /nfs/dbraw/zinc/47/77/93/348477793.db2.gz HKOIDIMXTKAUSX-UHFFFAOYSA-N 0 0 241.678 2.489 20 5 BEBDRN O=c1[nH]ccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000596269110 348481013 /nfs/dbraw/zinc/48/10/13/348481013.db2.gz FZBBQOOCBNHLTF-HRDYMLBCSA-N 0 0 249.270 2.296 20 5 BEBDRN CC[C@@H](C)CCNc1ncc([N+](=O)[O-])s1 ZINC000596415330 348539662 /nfs/dbraw/zinc/53/96/62/348539662.db2.gz IQWRJOYGYGDHRF-SSDOTTSWSA-N 0 0 229.305 2.321 20 5 BEBDRN CCO[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000596437056 348547103 /nfs/dbraw/zinc/54/71/03/348547103.db2.gz QMCUIGZMWDVFCB-LJGSYFOKSA-N 0 0 243.288 2.031 20 5 BEBDRN Cc1cn(CCC2CCC2)nc1[N+](=O)[O-] ZINC000596277979 348495155 /nfs/dbraw/zinc/49/51/55/348495155.db2.gz IMVSNYKOSVUKBG-UHFFFAOYSA-N 0 0 209.249 2.290 20 5 BEBDRN COC[C@@H](C)SCc1onc(C)c1[N+](=O)[O-] ZINC000596348342 348503232 /nfs/dbraw/zinc/50/32/32/348503232.db2.gz QSKMQGOFAPESFW-ZCFIWIBFSA-N 0 0 246.288 2.159 20 5 BEBDRN CO[C@H](C)CSCc1onc(C)c1[N+](=O)[O-] ZINC000596354803 348520167 /nfs/dbraw/zinc/52/01/67/348520167.db2.gz LPPSPXTUDYKWAS-ZCFIWIBFSA-N 0 0 246.288 2.159 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CC2CC1(C)C2 ZINC000596574158 348591738 /nfs/dbraw/zinc/59/17/38/348591738.db2.gz DLCHKOIPHFSASK-UHFFFAOYSA-N 0 0 233.271 2.287 20 5 BEBDRN Cc1cnc(N2CC3CC2(C)C3)c([N+](=O)[O-])c1 ZINC000596575611 348591914 /nfs/dbraw/zinc/59/19/14/348591914.db2.gz VXBXTBUIFRIWFM-UHFFFAOYSA-N 0 0 233.271 2.287 20 5 BEBDRN O=[N+]([O-])c1cnccc1NCCCC1CCC1 ZINC000596475989 348555058 /nfs/dbraw/zinc/55/50/58/348555058.db2.gz FLHJWSABCXQLMD-UHFFFAOYSA-N 0 0 235.287 2.404 20 5 BEBDRN C[C@]1(CNc2ncccc2[N+](=O)[O-])CC1(F)F ZINC000596479384 348556054 /nfs/dbraw/zinc/55/60/54/348556054.db2.gz ULOVVWXYOWJGGK-SECBINFHSA-N 0 0 243.213 2.447 20 5 BEBDRN C[C@@]1(CNc2ncccc2[N+](=O)[O-])CC1(F)F ZINC000596479386 348556107 /nfs/dbraw/zinc/55/61/07/348556107.db2.gz ULOVVWXYOWJGGK-VIFPVBQESA-N 0 0 243.213 2.447 20 5 BEBDRN C[C@@]12COC[C@@H]1CN(c1ccccc1[N+](=O)[O-])C2 ZINC000596483476 348557911 /nfs/dbraw/zinc/55/79/11/348557911.db2.gz PBNLSEDPAOVRLY-GXFFZTMASA-N 0 0 248.282 2.068 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCC3(COC3)C2)c1 ZINC000596529180 348566273 /nfs/dbraw/zinc/56/62/73/348566273.db2.gz GRJMXEYLEFAFLJ-UHFFFAOYSA-N 0 0 248.282 2.130 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N1CCC2(COC2)C1 ZINC000596529112 348566283 /nfs/dbraw/zinc/56/62/83/348566283.db2.gz FIKKYQIQCJLBKZ-UHFFFAOYSA-N 0 0 248.282 2.130 20 5 BEBDRN Cc1cccc(N2CCC3(COC3)C2)c1[N+](=O)[O-] ZINC000596529706 348567069 /nfs/dbraw/zinc/56/70/69/348567069.db2.gz KMVSURFYGJYSHI-UHFFFAOYSA-N 0 0 248.282 2.130 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3C[C@H]3C2)n1 ZINC000596510491 348573055 /nfs/dbraw/zinc/57/30/55/348573055.db2.gz MAMQYTCOYFRADV-QWRGUYRKSA-N 0 0 247.298 2.453 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[C@H]2C1 ZINC000596512344 348574105 /nfs/dbraw/zinc/57/41/05/348574105.db2.gz UPXALLRZTRMHDS-UWVGGRQHSA-N 0 0 233.271 2.144 20 5 BEBDRN Cc1cnc(OCC2CCC2)c([N+](=O)[O-])c1 ZINC000176706597 179643345 /nfs/dbraw/zinc/64/33/45/179643345.db2.gz MHTNIHFKWUFOPE-UHFFFAOYSA-N 0 0 222.244 2.477 20 5 BEBDRN Cc1cnc(CNc2nccc(C)c2[N+](=O)[O-])o1 ZINC000226805190 179613183 /nfs/dbraw/zinc/61/31/83/179613183.db2.gz HVJAJCDBTYVILW-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC[C@H](C)N(CC)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597855536 348827277 /nfs/dbraw/zinc/82/72/77/348827277.db2.gz JTZAWUKKPOJELG-QMMMGPOBSA-N 0 0 239.275 2.184 20 5 BEBDRN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1CC1 ZINC000598234666 348914042 /nfs/dbraw/zinc/91/40/42/348914042.db2.gz WJIDSPKXGIGKTH-MRVPVSSYSA-N 0 0 238.243 2.106 20 5 BEBDRN CC12CC(C1)CN2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598568349 348992537 /nfs/dbraw/zinc/99/25/37/348992537.db2.gz PHDMDBXLSMAFPA-UHFFFAOYSA-N 0 0 246.266 2.219 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCC[C@@H]1CC1(F)F ZINC000598636765 349015015 /nfs/dbraw/zinc/01/50/15/349015015.db2.gz HZXIUXIZDWUETQ-SSDOTTSWSA-N 0 0 243.213 2.447 20 5 BEBDRN C[C@@H](CCO)CNc1ccsc1[N+](=O)[O-] ZINC000308887198 349025124 /nfs/dbraw/zinc/02/51/24/349025124.db2.gz WFRWQBSGFNWDNN-ZETCQYMHSA-N 0 0 230.289 2.087 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCC1CC=CC1 ZINC000599126532 349102224 /nfs/dbraw/zinc/10/22/24/349102224.db2.gz JCMFUOJAGQPHTL-UHFFFAOYSA-N 0 0 219.244 2.368 20 5 BEBDRN CCC(F)(F)CNc1ncccc1[N+](=O)[O-] ZINC000599147569 349105527 /nfs/dbraw/zinc/10/55/27/349105527.db2.gz AEEPMKUFCUVNHD-UHFFFAOYSA-N 0 0 231.202 2.447 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2cnn3c2OCCC3)cc1 ZINC000598946860 349063359 /nfs/dbraw/zinc/06/33/59/349063359.db2.gz WFQNAINKNIXYJK-UHFFFAOYSA-N 0 0 245.238 2.241 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2noc(C34CC(C3)C4)n2)o1 ZINC000599164560 349109311 /nfs/dbraw/zinc/10/93/11/349109311.db2.gz LDOIEJLMCMCKFP-UHFFFAOYSA-N 0 0 247.210 2.289 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC[C@@H]1CCCC12CC2 ZINC000599205035 349118547 /nfs/dbraw/zinc/11/85/47/349118547.db2.gz ANOJUTHVFXPLHG-JTQLQIEISA-N 0 0 247.298 2.404 20 5 BEBDRN Cc1cnc(NCC(C)(F)F)c([N+](=O)[O-])c1 ZINC000382201943 349181184 /nfs/dbraw/zinc/18/11/84/349181184.db2.gz FKEWJJJFTXFBPI-UHFFFAOYSA-N 0 0 231.202 2.365 20 5 BEBDRN CC(C)[C@@H](O)CNc1ccc([N+](=O)[O-])s1 ZINC000309023235 349316554 /nfs/dbraw/zinc/31/65/54/349316554.db2.gz YMQJWNRLXOKJAT-ZETCQYMHSA-N 0 0 230.289 2.085 20 5 BEBDRN C[C@@H]1CC[C@@H]1Nc1cccnc1[N+](=O)[O-] ZINC000309039867 349366906 /nfs/dbraw/zinc/36/69/06/349366906.db2.gz JCGKLPCDRKNOIJ-SFYZADRCSA-N 0 0 207.233 2.200 20 5 BEBDRN Cc1nc(N(C)CC(C)C)ccc1[N+](=O)[O-] ZINC000268539838 179995538 /nfs/dbraw/zinc/99/55/38/179995538.db2.gz YYKFECMSYZHNFA-UHFFFAOYSA-N 0 0 223.276 2.390 20 5 BEBDRN Cc1cc(N2CCCCC2)ncc1[N+](=O)[O-] ZINC000150275334 350110845 /nfs/dbraw/zinc/11/08/45/350110845.db2.gz VQSFANFHAHMGHT-UHFFFAOYSA-N 0 0 221.260 2.289 20 5 BEBDRN Cc1nc(N(C)C2CCC2)ccc1[N+](=O)[O-] ZINC000268490216 179995964 /nfs/dbraw/zinc/99/59/64/179995964.db2.gz NJNFKLUFQLZUGM-UHFFFAOYSA-N 0 0 221.260 2.287 20 5 BEBDRN Cc1nc(N2C[C@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000268535184 180003607 /nfs/dbraw/zinc/00/36/07/180003607.db2.gz XYOIXMAHPMELPN-DTORHVGOSA-N 0 0 235.287 2.390 20 5 BEBDRN Cc1nc(NC(=O)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000133962265 180005379 /nfs/dbraw/zinc/00/53/79/180005379.db2.gz GZSAGGWRUHVXDX-UHFFFAOYSA-N 0 0 237.259 2.283 20 5 BEBDRN Cc1nc(NCC(C)C)ccc1[N+](=O)[O-] ZINC000161494744 180015642 /nfs/dbraw/zinc/01/56/42/180015642.db2.gz FRLRHUDISNFZQN-UHFFFAOYSA-N 0 0 209.249 2.366 20 5 BEBDRN Cc1nc(NCCOC(C)C)ccc1[N+](=O)[O-] ZINC000168650465 180017386 /nfs/dbraw/zinc/01/73/86/180017386.db2.gz SELGKLKHNLHQBG-UHFFFAOYSA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1nc(N[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000230185678 180024035 /nfs/dbraw/zinc/02/40/35/180024035.db2.gz UCVOHJNXNXISET-MRVPVSSYSA-N 0 0 239.300 2.216 20 5 BEBDRN CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000056287673 187438453 /nfs/dbraw/zinc/43/84/53/187438453.db2.gz QMPJXNQJWPJIOA-UHFFFAOYSA-N 0 0 236.271 2.352 20 5 BEBDRN CCCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005420796 350198088 /nfs/dbraw/zinc/19/80/88/350198088.db2.gz LENNHUJVWDVQCA-UHFFFAOYSA-N 0 0 243.284 2.169 20 5 BEBDRN CC(C)CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000003100503 350185499 /nfs/dbraw/zinc/18/54/99/350185499.db2.gz BDKPHMLIOFKEPS-UHFFFAOYSA-N 0 0 240.259 2.354 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1CC(C(F)F)C1 ZINC001639638982 1172123349 /nfs/dbraw/zinc/12/33/49/1172123349.db2.gz LPFSLKDYDSZNIK-UHFFFAOYSA-N 0 0 234.227 2.358 20 5 BEBDRN COC(=O)CSCc1ccccc1[N+](=O)[O-] ZINC000038875000 350323599 /nfs/dbraw/zinc/32/35/99/350323599.db2.gz LJWVXDQRFVJLJA-UHFFFAOYSA-N 0 0 241.268 2.001 20 5 BEBDRN CC(C)[C@](C)(O)CNc1ccsc1[N+](=O)[O-] ZINC000309351936 350323638 /nfs/dbraw/zinc/32/36/38/350323638.db2.gz MZXMKQVKEDBFMH-SNVBAGLBSA-N 0 0 244.316 2.475 20 5 BEBDRN Cc1ncoc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000353763729 180301374 /nfs/dbraw/zinc/30/13/74/180301374.db2.gz XHWPQWQRTDWVFO-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN Cc1ccnc(CNc2cccnc2[N+](=O)[O-])c1 ZINC000328312118 350397195 /nfs/dbraw/zinc/39/71/95/350397195.db2.gz XDJCQDGHGOBLFD-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1nn(C)c(N[C@@H]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000071208316 180360259 /nfs/dbraw/zinc/36/02/59/180360259.db2.gz DYRAFUXZNCPCNH-IONNQARKSA-N 0 0 238.291 2.237 20 5 BEBDRN Cc1nn(C)c(N[C@@H]2C=CCCC2)c1[N+](=O)[O-] ZINC000301613210 180360592 /nfs/dbraw/zinc/36/05/92/180360592.db2.gz GYSHQRLXQOYITD-SECBINFHSA-N 0 0 236.275 2.157 20 5 BEBDRN CCOC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000091692168 187453463 /nfs/dbraw/zinc/45/34/63/187453463.db2.gz AVQNRVRQAPYBGW-WDEREUQCSA-N 0 0 235.239 2.261 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCc1nccn1C ZINC000051922510 350654433 /nfs/dbraw/zinc/65/44/33/350654433.db2.gz ZTSHCXFAFZUZBA-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN CC1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000044368148 187462675 /nfs/dbraw/zinc/46/26/75/187462675.db2.gz CUEWBHCXFYZWFS-MRVPVSSYSA-N 0 0 207.233 2.200 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2CCOCC2)s1 ZINC000309504645 350679355 /nfs/dbraw/zinc/67/93/55/350679355.db2.gz MQVQJUDPJDFXBS-UHFFFAOYSA-N 0 0 242.300 2.495 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC(F)C2)c2ccncc21 ZINC000343481438 350975174 /nfs/dbraw/zinc/97/51/74/350975174.db2.gz SOUOMEMIAUAPKF-UHFFFAOYSA-N 0 0 247.229 2.301 20 5 BEBDRN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)CS1 ZINC000397868366 350978700 /nfs/dbraw/zinc/97/87/00/350978700.db2.gz ILIICRPLRQVJKT-PHDIDXHHSA-N 0 0 245.329 2.357 20 5 BEBDRN CCCN(CCC)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000052930757 351080490 /nfs/dbraw/zinc/08/04/90/351080490.db2.gz OMBQBQKOKGCZOK-UHFFFAOYSA-N 0 0 239.275 2.185 20 5 BEBDRN CC[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)O ZINC000386687949 363027958 /nfs/dbraw/zinc/02/79/58/363027958.db2.gz JUOODMOZLJLUPU-KCJUWKMLSA-N 0 0 224.260 2.166 20 5 BEBDRN CC[C@@H](Nc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000386693631 363028134 /nfs/dbraw/zinc/02/81/34/363028134.db2.gz KYMFCQSEXKXSMR-RKDXNWHRSA-N 0 0 224.260 2.166 20 5 BEBDRN Cc1ccc(CNCc2ccno2)cc1[N+](=O)[O-] ZINC000231882715 351433711 /nfs/dbraw/zinc/43/37/11/351433711.db2.gz GUTOZDUVNJVZSX-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)c1)[C@H](C)O ZINC000386705922 363030350 /nfs/dbraw/zinc/03/03/50/363030350.db2.gz OEJWAFOJFCZWGU-GXSJLCMTSA-N 0 0 238.287 2.475 20 5 BEBDRN CC[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H](C)O ZINC000386739325 363036614 /nfs/dbraw/zinc/03/66/14/363036614.db2.gz CZUJTWWUNFVZSA-XCBNKYQSSA-N 0 0 242.250 2.305 20 5 BEBDRN Cc1ccc(C(=O)NC[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000032381901 352033587 /nfs/dbraw/zinc/03/35/87/352033587.db2.gz RTOMKQRQAYPXLJ-GXSJLCMTSA-N 0 0 248.282 2.289 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000057835314 352177125 /nfs/dbraw/zinc/17/71/25/352177125.db2.gz MMTCYUHMKGQVCI-KCJUWKMLSA-N 0 0 246.266 2.140 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403478369 352326788 /nfs/dbraw/zinc/32/67/88/352326788.db2.gz QYTQNSHRFDJFTC-OPRDCNLKSA-N 0 0 233.271 2.012 20 5 BEBDRN CC1(C)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000299091053 352519583 /nfs/dbraw/zinc/51/95/83/352519583.db2.gz UMMYAOSGDLAMAP-ZETCQYMHSA-N 0 0 240.284 2.185 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1Oc1ccc(F)cc1 ZINC000008308599 352646644 /nfs/dbraw/zinc/64/66/44/352646644.db2.gz XYBNGXSCCXWAGK-UHFFFAOYSA-N 0 0 237.190 2.260 20 5 BEBDRN CC(C)=CC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089835332 187799473 /nfs/dbraw/zinc/79/94/73/187799473.db2.gz PCZLVYHAELWPIF-UHFFFAOYSA-N 0 0 248.282 2.220 20 5 BEBDRN CC(C)(C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046147302 353144066 /nfs/dbraw/zinc/14/40/66/353144066.db2.gz SVDGJIDJCIPHCT-UHFFFAOYSA-N 0 0 236.271 2.257 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCCO2)s1 ZINC000048999378 353162841 /nfs/dbraw/zinc/16/28/41/353162841.db2.gz CCURUDVXZPCVPY-ZETCQYMHSA-N 0 0 228.273 2.247 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC1 ZINC000049376856 353162875 /nfs/dbraw/zinc/16/28/75/353162875.db2.gz IXWZEAQHKHBXKD-UHFFFAOYSA-N 0 0 234.255 2.043 20 5 BEBDRN O=[N+]([O-])c1ccc2[nH]c(N3CCCC3)nc2c1 ZINC000090367536 188129344 /nfs/dbraw/zinc/12/93/44/188129344.db2.gz XDTBBZVMEKFRJG-UHFFFAOYSA-N 0 0 232.243 2.071 20 5 BEBDRN CC(C)(O)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000168995518 188161368 /nfs/dbraw/zinc/16/13/68/188161368.db2.gz MUDQBRCMUKYMMN-UHFFFAOYSA-N 0 0 244.678 2.431 20 5 BEBDRN CC(C)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000177993824 188165605 /nfs/dbraw/zinc/16/56/05/188165605.db2.gz GHCQQLLQOKUZHA-UHFFFAOYSA-N 0 0 214.290 2.497 20 5 BEBDRN CC(C)(O)CCSc1ncccc1[N+](=O)[O-] ZINC000267376219 188196634 /nfs/dbraw/zinc/19/66/34/188196634.db2.gz UMMJHCURDVMIDM-UHFFFAOYSA-N 0 0 242.300 2.243 20 5 BEBDRN CC(C)(O)CCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000269342359 188198002 /nfs/dbraw/zinc/19/80/02/188198002.db2.gz PILKSNQQANBTDI-UHFFFAOYSA-N 0 0 243.234 2.274 20 5 BEBDRN CC(C)=CCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295530272 188214227 /nfs/dbraw/zinc/21/42/27/188214227.db2.gz VIPUCCKRGJIDTR-UHFFFAOYSA-N 0 0 242.319 2.294 20 5 BEBDRN CC(C)=CCn1c(C)c([N+](=O)[O-])ccc1=O ZINC000298433805 188215239 /nfs/dbraw/zinc/21/52/39/188215239.db2.gz XELPIMQBQWQUHL-UHFFFAOYSA-N 0 0 222.244 2.031 20 5 BEBDRN CC(C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330371432 188219060 /nfs/dbraw/zinc/21/90/60/188219060.db2.gz ACWYNMMQPWFUIV-MRVPVSSYSA-N 0 0 239.275 2.087 20 5 BEBDRN CC(C)C[C@H](C)Cn1ncc([N+](=O)[O-])c1N ZINC000281258557 188206104 /nfs/dbraw/zinc/20/61/04/188206104.db2.gz HGZXSKKXJDUBMZ-QMMMGPOBSA-N 0 0 226.280 2.056 20 5 BEBDRN CC(C)(C)c1noc(-c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000345437912 353767140 /nfs/dbraw/zinc/76/71/40/353767140.db2.gz NDDZHHDKKALJCZ-UHFFFAOYSA-N 0 0 236.231 2.270 20 5 BEBDRN Cc1cccc(OCCn2cnc([N+](=O)[O-])c2)c1 ZINC000073921127 353895378 /nfs/dbraw/zinc/89/53/78/353895378.db2.gz VELAPPAGIPUAFE-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN C[C@H]1CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000335947350 134020682 /nfs/dbraw/zinc/02/06/82/134020682.db2.gz XGKOPNXNFVQLCA-XPUUQOCRSA-N 0 0 240.284 2.185 20 5 BEBDRN O=[N+]([O-])c1ccccc1OCc1nncs1 ZINC001640678738 1172183952 /nfs/dbraw/zinc/18/39/52/1172183952.db2.gz LTDAPKYJTDVYIT-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN Cc1cc(C(=O)NC[C@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000032394292 355224108 /nfs/dbraw/zinc/22/41/08/355224108.db2.gz HRTRMKZPQLRCJD-GZMMTYOYSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1cc(C(=O)NC[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000032394293 355224119 /nfs/dbraw/zinc/22/41/19/355224119.db2.gz HRTRMKZPQLRCJD-KCJUWKMLSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1nn([C@H]2CCC(C)(C)C2=O)cc1[N+](=O)[O-] ZINC000413006478 191338154 /nfs/dbraw/zinc/33/81/54/191338154.db2.gz ZDEWZQJKPIMXHI-QMMMGPOBSA-N 0 0 237.259 2.030 20 5 BEBDRN C[C@@H](O)CSCc1csc([N+](=O)[O-])c1 ZINC000413019827 191341569 /nfs/dbraw/zinc/34/15/69/191341569.db2.gz UVQWMKNEDTZLOV-ZCFIWIBFSA-N 0 0 233.314 2.270 20 5 BEBDRN C[C@@H](O)CSCc1c(F)cccc1[N+](=O)[O-] ZINC000413019201 191341670 /nfs/dbraw/zinc/34/16/70/191341670.db2.gz SHEBGNNRRPJOBN-SSDOTTSWSA-N 0 0 245.275 2.348 20 5 BEBDRN O=[N+]([O-])c1cc(CSCCCO)cs1 ZINC000413021297 191342281 /nfs/dbraw/zinc/34/22/81/191342281.db2.gz VSHAUACQNZKXGI-UHFFFAOYSA-N 0 0 233.314 2.272 20 5 BEBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC000413036989 191353631 /nfs/dbraw/zinc/35/36/31/191353631.db2.gz QCLZWKVFFGRMKF-LURJTMIESA-N 0 0 225.223 2.339 20 5 BEBDRN COCC[C@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000413486683 191387516 /nfs/dbraw/zinc/38/75/16/191387516.db2.gz YJICLNBPNSLTIM-VIFPVBQESA-N 0 0 239.275 2.074 20 5 BEBDRN CCn1ccc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000413491398 191389130 /nfs/dbraw/zinc/38/91/30/191389130.db2.gz JXXIGKSUMSIEAD-UHFFFAOYSA-N 0 0 246.270 2.423 20 5 BEBDRN CC[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413264934 191367908 /nfs/dbraw/zinc/36/79/08/191367908.db2.gz ITCXDXAWIXWXSX-HZGVNTEJSA-N 0 0 225.223 2.339 20 5 BEBDRN C[C@H]1CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413295861 191369518 /nfs/dbraw/zinc/36/95/18/191369518.db2.gz PVTBWLXTDBFDNZ-RCOVLWMOSA-N 0 0 225.223 2.339 20 5 BEBDRN CC(C)(C)C1CN(c2ncccc2[N+](=O)[O-])C1 ZINC000413360624 191375182 /nfs/dbraw/zinc/37/51/82/191375182.db2.gz IWJGVTYEWNSZAK-UHFFFAOYSA-N 0 0 235.287 2.472 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC[C@H]1CCCS1 ZINC000087475293 355288764 /nfs/dbraw/zinc/28/87/64/355288764.db2.gz KAECTDUTTWZEGV-MRVPVSSYSA-N 0 0 239.300 2.297 20 5 BEBDRN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000428105409 191921575 /nfs/dbraw/zinc/92/15/75/191921575.db2.gz FGBXHHKUPGTHIW-BZBKMWRSSA-N 0 0 246.266 2.123 20 5 BEBDRN COC[C@@H](C)CNc1ccc([N+](=O)[O-])s1 ZINC000049177098 355931971 /nfs/dbraw/zinc/93/19/71/355931971.db2.gz RVGIWCKVWKTJLL-ZETCQYMHSA-N 0 0 230.289 2.351 20 5 BEBDRN COC[C@H](C)CNc1ccc([N+](=O)[O-])s1 ZINC000049177099 355932265 /nfs/dbraw/zinc/93/22/65/355932265.db2.gz RVGIWCKVWKTJLL-SSDOTTSWSA-N 0 0 230.289 2.351 20 5 BEBDRN CCCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000049379794 356421362 /nfs/dbraw/zinc/42/13/62/356421362.db2.gz CDPXTRJLRZAFKJ-UHFFFAOYSA-N 0 0 222.244 2.011 20 5 BEBDRN CC[C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000049379669 356421557 /nfs/dbraw/zinc/42/15/57/356421557.db2.gz DZXQRYUBORBDOL-SECBINFHSA-N 0 0 236.271 2.257 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCOC1 ZINC000035255722 356450228 /nfs/dbraw/zinc/45/02/28/356450228.db2.gz VGZKAPOITWQQLU-QMMMGPOBSA-N 0 0 240.234 2.182 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[C@H]1C ZINC000336165359 134113094 /nfs/dbraw/zinc/11/30/94/134113094.db2.gz PGEYSFXGMZKGFY-VHSXEESVSA-N 0 0 248.282 2.384 20 5 BEBDRN CCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000079630378 535318625 /nfs/dbraw/zinc/31/86/25/535318625.db2.gz FVOAEXQNUMTUAN-UHFFFAOYSA-N 0 0 236.271 2.356 20 5 BEBDRN CC[C@@H]1CCC[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000268285422 356640393 /nfs/dbraw/zinc/64/03/93/356640393.db2.gz XHBHNEMSOHRBPO-BDAKNGLRSA-N 0 0 238.291 2.319 20 5 BEBDRN O=[N+]([O-])c1ccc(SC2CCOCC2)cn1 ZINC000450401312 202153720 /nfs/dbraw/zinc/15/37/20/202153720.db2.gz ISLWHKASVWETBP-UHFFFAOYSA-N 0 0 240.284 2.261 20 5 BEBDRN C[C@@H]1OCC[C@@H]1Sc1ccc([N+](=O)[O-])nc1 ZINC000450402154 202156924 /nfs/dbraw/zinc/15/69/24/202156924.db2.gz IFWRDEBEGCNVPB-CBAPKCEASA-N 0 0 240.284 2.259 20 5 BEBDRN CC/C=C/CNc1ccc([N+](=O)[O-])nc1 ZINC000384874462 356789319 /nfs/dbraw/zinc/78/93/19/356789319.db2.gz GVKAWJIZLAUDHY-ONEGZZNKSA-N 0 0 207.233 2.368 20 5 BEBDRN CC(=O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000130461782 325051041 /nfs/dbraw/zinc/05/10/41/325051041.db2.gz MZNHLPCQGCBXLQ-UHFFFAOYSA-N 0 0 229.619 2.216 20 5 BEBDRN Cc1nc(N[C@H]2CC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450473495 202177704 /nfs/dbraw/zinc/17/77/04/202177704.db2.gz ZTZFNACTGAEJEW-CBAPKCEASA-N 0 0 236.275 2.294 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CC1(C)C ZINC000450488853 202182473 /nfs/dbraw/zinc/18/24/73/202182473.db2.gz YBWNULBHKNZZTP-SECBINFHSA-N 0 0 221.260 2.225 20 5 BEBDRN CCC1(C)CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000450540299 202193109 /nfs/dbraw/zinc/19/31/09/202193109.db2.gz OVRDNDTZAVBESW-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])cn1)C(F)F ZINC000450568571 202200841 /nfs/dbraw/zinc/20/08/41/202200841.db2.gz OKSYRIJFLSFEDQ-SSDOTTSWSA-N 0 0 231.202 2.445 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](F)C2)n1 ZINC000450603223 202209909 /nfs/dbraw/zinc/20/99/09/202209909.db2.gz GIVFYGQBMMLLRE-VIFPVBQESA-N 0 0 239.250 2.155 20 5 BEBDRN C[C@H]1CC(C)(C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000583071513 357472572 /nfs/dbraw/zinc/47/25/72/357472572.db2.gz ZLLWGEASOGECBW-QMMMGPOBSA-N 0 0 236.275 2.010 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1CNc1cnccn1 ZINC000192152006 357825525 /nfs/dbraw/zinc/82/55/25/357825525.db2.gz BRANLTLJAUBCFG-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC1(C)CN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000618971005 357994951 /nfs/dbraw/zinc/99/49/51/357994951.db2.gz UJZDTMLBZXXCIQ-UHFFFAOYSA-N 0 0 249.270 2.469 20 5 BEBDRN C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccc([N+](=O)[O-])nc1 ZINC000584519877 358029619 /nfs/dbraw/zinc/02/96/19/358029619.db2.gz LIEBPVUPWHGHDK-KXUCPTDWSA-N 0 0 235.287 2.471 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@@H]2C2CC2)s1 ZINC000450645638 202222687 /nfs/dbraw/zinc/22/26/87/202222687.db2.gz PMDCTUAFMDTJAQ-SSDOTTSWSA-N 0 0 225.273 2.040 20 5 BEBDRN C[C@@H]1OCC[C@@H]1Sc1cccnc1[N+](=O)[O-] ZINC000611086045 358608142 /nfs/dbraw/zinc/60/81/42/358608142.db2.gz AAXLIRBAFWSIAF-YUMQZZPRSA-N 0 0 240.284 2.259 20 5 BEBDRN CC1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000578233714 366465562 /nfs/dbraw/zinc/46/55/62/366465562.db2.gz QJUCVFMSEJCZEG-UHFFFAOYSA-N 0 0 247.298 2.325 20 5 BEBDRN Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000611164975 358909652 /nfs/dbraw/zinc/90/96/52/358909652.db2.gz HXNSYQXHBBAFLM-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CC[C@@H](O)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000296360244 358950480 /nfs/dbraw/zinc/95/04/80/358950480.db2.gz VGAIHHGBWGNCOK-SSDOTTSWSA-N 0 0 245.662 2.398 20 5 BEBDRN COc1cc(OCC(F)F)ccc1[N+](=O)[O-] ZINC000619580787 359029141 /nfs/dbraw/zinc/02/91/41/359029141.db2.gz DQSNZYCQDKJODP-UHFFFAOYSA-N 0 0 233.170 2.247 20 5 BEBDRN C[C@@H](CO)SCc1csc([N+](=O)[O-])c1 ZINC000079088940 359386395 /nfs/dbraw/zinc/38/63/95/359386395.db2.gz HFKDQEGSHIUFIM-LURJTMIESA-N 0 0 233.314 2.270 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCc1nccn1C ZINC000161030070 359769066 /nfs/dbraw/zinc/76/90/66/359769066.db2.gz GYEQSHBLLDMZLH-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN CC(=O)CCCCCn1cc([N+](=O)[O-])c(C)n1 ZINC000450954285 202319468 /nfs/dbraw/zinc/31/94/68/202319468.db2.gz AYFMAYKTLZTZPG-UHFFFAOYSA-N 0 0 239.275 2.249 20 5 BEBDRN CC[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000006791162 360844684 /nfs/dbraw/zinc/84/46/84/360844684.db2.gz NOBAJVBJRUBESB-SECBINFHSA-N 0 0 236.271 2.052 20 5 BEBDRN CC1(C)C[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000299117739 370671522 /nfs/dbraw/zinc/67/15/22/370671522.db2.gz ZEYHBDHCJWBIPD-JTQLQIEISA-N 0 0 234.255 2.123 20 5 BEBDRN CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000027337992 363870823 /nfs/dbraw/zinc/87/08/23/363870823.db2.gz DUGNMEDEOSRFIR-ZCFIWIBFSA-N 0 0 228.273 2.185 20 5 BEBDRN CSCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000068195313 370753087 /nfs/dbraw/zinc/75/30/87/370753087.db2.gz SBVYIVUWNQOFFJ-UHFFFAOYSA-N 0 0 240.284 2.286 20 5 BEBDRN Cc1c(OCC(C)(C)O)cccc1[N+](=O)[O-] ZINC000037694786 364525256 /nfs/dbraw/zinc/52/52/56/364525256.db2.gz VXRJLJKKEGLJDQ-UHFFFAOYSA-N 0 0 225.244 2.053 20 5 BEBDRN Cc1cc(F)ccc1Cn1cc([N+](=O)[O-])cn1 ZINC000181982794 366857583 /nfs/dbraw/zinc/85/75/83/366857583.db2.gz ISWPPMWDIPQJDC-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN NC(=O)c1cccc(NC2CCCC2)c1[N+](=O)[O-] ZINC000439135517 201435126 /nfs/dbraw/zinc/43/51/26/201435126.db2.gz VZSQLTZXNRRTKZ-UHFFFAOYSA-N 0 0 249.270 2.048 20 5 BEBDRN O=[N+]([O-])c1cnc(Nc2c[nH]cn2)c(Cl)c1 ZINC000581110250 367264028 /nfs/dbraw/zinc/26/40/28/367264028.db2.gz NJTHHVAORUVAMS-UHFFFAOYSA-N 0 0 239.622 2.110 20 5 BEBDRN CN(CC1CCC1)c1ncc([N+](=O)[O-])cc1F ZINC000581237781 367303144 /nfs/dbraw/zinc/30/31/44/367303144.db2.gz WRPYCWSINMVONG-UHFFFAOYSA-N 0 0 239.250 2.365 20 5 BEBDRN CC[C@@H](Nc1ncccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000139772113 367993941 /nfs/dbraw/zinc/99/39/41/367993941.db2.gz ZFXSSKGOFVRZDY-MRVPVSSYSA-N 0 0 247.258 2.276 20 5 BEBDRN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349241493 368143391 /nfs/dbraw/zinc/14/33/91/368143391.db2.gz NRIPTEODZBJDMD-VIFPVBQESA-N 0 0 247.254 2.434 20 5 BEBDRN CN(Cc1ccncc1)c1ncccc1[N+](=O)[O-] ZINC000029874818 368244987 /nfs/dbraw/zinc/24/49/87/368244987.db2.gz GXFHPZLWIZRYGU-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN O=C(CC1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000031885510 368253794 /nfs/dbraw/zinc/25/37/94/368253794.db2.gz JLJBPVRBPNTOOD-UHFFFAOYSA-N 0 0 220.228 2.333 20 5 BEBDRN CCC[C@H](C)N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000042077629 368300082 /nfs/dbraw/zinc/30/00/82/368300082.db2.gz YVRAWAGOLIWXNB-QMMMGPOBSA-N 0 0 239.275 2.184 20 5 BEBDRN CC[C@@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000057071271 368480772 /nfs/dbraw/zinc/48/07/72/368480772.db2.gz OJNUUNNYRHRTAW-SFYZADRCSA-N 0 0 240.259 2.352 20 5 BEBDRN CCCCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000059306874 368531228 /nfs/dbraw/zinc/53/12/28/368531228.db2.gz UUTLLMMQCCDIHQ-UHFFFAOYSA-N 0 0 236.271 2.401 20 5 BEBDRN CSCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000059352159 368532217 /nfs/dbraw/zinc/53/22/17/368532217.db2.gz XXYAQCBWIDLQML-UHFFFAOYSA-N 0 0 241.268 2.324 20 5 BEBDRN CN(C(=O)c1ccoc1)c1ccc([N+](=O)[O-])cc1 ZINC000058520493 368513403 /nfs/dbraw/zinc/51/34/03/368513403.db2.gz OJZIDQGNIARGBD-UHFFFAOYSA-N 0 0 246.222 2.464 20 5 BEBDRN O=[N+]([O-])c1ccc(OCc2ccno2)cc1 ZINC000060751545 368551593 /nfs/dbraw/zinc/55/15/93/368551593.db2.gz QMSSGXGZIVRMTN-UHFFFAOYSA-N 0 0 220.184 2.162 20 5 BEBDRN CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000063602500 368590017 /nfs/dbraw/zinc/59/00/17/368590017.db2.gz QJLBDXTYUILMJU-UHFFFAOYSA-N 0 0 236.271 2.385 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCC1 ZINC000067040798 368676722 /nfs/dbraw/zinc/67/67/22/368676722.db2.gz JBCNNEXLLCGDQJ-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN CC(C)[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000069675048 368758187 /nfs/dbraw/zinc/75/81/87/368758187.db2.gz MUHNRGYEKVTOSJ-VIFPVBQESA-N 0 0 236.271 2.369 20 5 BEBDRN Cc1ccc(OCc2ccno2)c([N+](=O)[O-])c1 ZINC000072649197 368776886 /nfs/dbraw/zinc/77/68/86/368776886.db2.gz UOPVJZHRWKRMEA-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN CC[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)[C@H]1C ZINC001642596457 1172376104 /nfs/dbraw/zinc/37/61/04/1172376104.db2.gz KUGFDPMMGIGAPY-DTWKUNHWSA-N 0 0 236.275 2.010 20 5 BEBDRN CC[C@@H]1C[C@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000387764496 369296384 /nfs/dbraw/zinc/29/63/84/369296384.db2.gz BBLJDZDRYXUXRA-ZJUUUORDSA-N 0 0 235.287 2.178 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC1(C)C ZINC000091554091 369437538 /nfs/dbraw/zinc/43/75/38/369437538.db2.gz XQCSZZBUIRHEOY-MRVPVSSYSA-N 0 0 238.291 2.330 20 5 BEBDRN CC[C@H]1CN(c2ccsc2[N+](=O)[O-])CCO1 ZINC000063257823 370144008 /nfs/dbraw/zinc/14/40/08/370144008.db2.gz YHXNQFZNPPEURN-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1Oc1cccc(F)c1 ZINC000008308552 370258524 /nfs/dbraw/zinc/25/85/24/370258524.db2.gz NQHFPWMUWLTILI-UHFFFAOYSA-N 0 0 237.190 2.260 20 5 BEBDRN C[C@H]1SCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000309839840 370267410 /nfs/dbraw/zinc/26/74/10/370267410.db2.gz ODGUPMROQHQCJS-APPZFPTMSA-N 0 0 239.300 2.296 20 5 BEBDRN C[C@H](O)C[C@H](C)CNc1ccc([N+](=O)[O-])s1 ZINC000309912289 370274896 /nfs/dbraw/zinc/27/48/96/370274896.db2.gz NJWGFFUROYNPMV-YUMQZZPRSA-N 0 0 244.316 2.475 20 5 BEBDRN C/C=C/C[C@@H](CO)Nc1ccc([N+](=O)[O-])s1 ZINC000309975010 370283507 /nfs/dbraw/zinc/28/35/07/370283507.db2.gz SBEQAASCLNDDFW-SGJFDWMWSA-N 0 0 242.300 2.395 20 5 BEBDRN CC[C@H](C)[C@@H](O)CNc1ccc([N+](=O)[O-])s1 ZINC000309996841 370287839 /nfs/dbraw/zinc/28/78/39/370287839.db2.gz CIXICNHOWAJGIB-YUMQZZPRSA-N 0 0 244.316 2.475 20 5 BEBDRN C[C@@H](CNc1ccc(N)c([N+](=O)[O-])n1)C1CC1 ZINC000310164410 370316071 /nfs/dbraw/zinc/31/60/71/370316071.db2.gz RYPYQLJXUVCVEA-ZETCQYMHSA-N 0 0 236.275 2.030 20 5 BEBDRN O=C(NC1CC=CC1)c1ccccc1[N+](=O)[O-] ZINC000154207929 370370843 /nfs/dbraw/zinc/37/08/43/370370843.db2.gz HQGZSGDUAZYSTN-UHFFFAOYSA-N 0 0 232.239 2.043 20 5 BEBDRN CC[C@H](C)CN(C)c1ccc(N)c([N+](=O)[O-])n1 ZINC000310477338 370348069 /nfs/dbraw/zinc/34/80/69/370348069.db2.gz CWSLFSVWFDTPBW-QMMMGPOBSA-N 0 0 238.291 2.054 20 5 BEBDRN CC(C)N(C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000078728987 370594110 /nfs/dbraw/zinc/59/41/10/370594110.db2.gz CBFRLOCPGDIMEF-UHFFFAOYSA-N 0 0 228.273 2.137 20 5 BEBDRN C[C@H](CCO)CNc1ccc([N+](=O)[O-])s1 ZINC000078581103 370577527 /nfs/dbraw/zinc/57/75/27/370577527.db2.gz HSQCOLUSSRJFNZ-SSDOTTSWSA-N 0 0 230.289 2.087 20 5 BEBDRN C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H]1F ZINC000619697321 370582456 /nfs/dbraw/zinc/58/24/56/370582456.db2.gz QNRWTVQZPJAIGN-RQJHMYQMSA-N 0 0 245.279 2.236 20 5 BEBDRN C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C[C@H]1F ZINC000619697320 370582532 /nfs/dbraw/zinc/58/25/32/370582532.db2.gz QNRWTVQZPJAIGN-RNFRBKRXSA-N 0 0 245.279 2.236 20 5 BEBDRN Cc1cccnc1COc1cccnc1[N+](=O)[O-] ZINC000092853641 371125961 /nfs/dbraw/zinc/12/59/61/371125961.db2.gz PJZDMLIHXQFHLQ-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1NCc1cc[nH]n1 ZINC000156419668 371396618 /nfs/dbraw/zinc/39/66/18/371396618.db2.gz MLRFURIDOXPNDC-UHFFFAOYSA-N 0 0 236.206 2.069 20 5 BEBDRN O=[N+]([O-])c1c[nH]c(-c2nc([C@@H]3CC34CC4)no2)c1 ZINC000351273494 371619493 /nfs/dbraw/zinc/61/94/93/371619493.db2.gz DCAIMSIXJJPPAW-ZETCQYMHSA-N 0 0 246.226 2.240 20 5 BEBDRN C/C=C\CNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000600490049 371674726 /nfs/dbraw/zinc/67/47/26/371674726.db2.gz GYSFTKBBSCFUHO-HYXAFXHYSA-N 0 0 248.282 2.463 20 5 BEBDRN C[C@@H]1C[C@@H]1COc1cccnc1[N+](=O)[O-] ZINC000600512017 371677929 /nfs/dbraw/zinc/67/79/29/371677929.db2.gz WMTXDBQEQRCBKT-HTQZYQBOSA-N 0 0 208.217 2.025 20 5 BEBDRN O=[N+]([O-])c1cnn(C[C@H]2C[C@H]3C=C[C@@H]2C3)c1 ZINC000600514720 371678164 /nfs/dbraw/zinc/67/81/64/371678164.db2.gz AEORDOZRFPZQEQ-IVZWLZJFSA-N 0 0 219.244 2.004 20 5 BEBDRN C[C@@H]1C[C@H]1COc1cccnc1[N+](=O)[O-] ZINC000600512019 371678258 /nfs/dbraw/zinc/67/82/58/371678258.db2.gz WMTXDBQEQRCBKT-SFYZADRCSA-N 0 0 208.217 2.025 20 5 BEBDRN Cc1nn(C[C@@H]2C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000600510920 371678561 /nfs/dbraw/zinc/67/85/61/371678561.db2.gz XXCSNVDWDNCZCB-RCOVLWMOSA-N 0 0 209.249 2.064 20 5 BEBDRN O=[N+]([O-])c1ccnn1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000600520852 371679690 /nfs/dbraw/zinc/67/96/90/371679690.db2.gz SJQQWTRCZGFCFF-AEJSXWLSSA-N 0 0 219.244 2.004 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1CCCC12CC2 ZINC000601210646 371738693 /nfs/dbraw/zinc/73/86/93/371738693.db2.gz RMZNZEKSUUTPIL-LLVKDONJSA-N 0 0 233.271 2.156 20 5 BEBDRN CC1(F)CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000601245236 371741493 /nfs/dbraw/zinc/74/14/93/371741493.db2.gz AGYPYYAIKADHDR-UHFFFAOYSA-N 0 0 239.250 2.318 20 5 BEBDRN CC1(F)CN(c2ccsc2[N+](=O)[O-])C1 ZINC000601155788 371730896 /nfs/dbraw/zinc/73/08/96/371730896.db2.gz FTOBJHOBLZKTKV-UHFFFAOYSA-N 0 0 216.237 2.205 20 5 BEBDRN CCOc1cc(N(C)CCF)ccc1[N+](=O)[O-] ZINC000601169468 371732441 /nfs/dbraw/zinc/73/24/41/371732441.db2.gz AOXGWZCUZCICEY-UHFFFAOYSA-N 0 0 242.250 2.399 20 5 BEBDRN CN(CCF)c1sccc1[N+](=O)[O-] ZINC000601170165 371733873 /nfs/dbraw/zinc/73/38/73/371733873.db2.gz XVTJYPVALQGWLL-UHFFFAOYSA-N 0 0 204.226 2.062 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]2C(F)(F)F)cn1 ZINC000601187956 371735109 /nfs/dbraw/zinc/73/51/09/371735109.db2.gz AEPAOGOKWQBUSI-SSDOTTSWSA-N 0 0 247.176 2.131 20 5 BEBDRN Cc1cccc(N[C@H]2C[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000601211861 371738510 /nfs/dbraw/zinc/73/85/10/371738510.db2.gz MHBXNIVTHHVOEV-AOOOYVTPSA-N 0 0 236.271 2.086 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1N1N=CC[C@@H](C)C1=O ZINC000601935405 371777680 /nfs/dbraw/zinc/77/76/80/371777680.db2.gz JPOBMAVWQALAGH-SECBINFHSA-N 0 0 247.254 2.262 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1C2CCC1CC2 ZINC000602093824 371785746 /nfs/dbraw/zinc/78/57/46/371785746.db2.gz CXYCOCVJGAWKRI-UHFFFAOYSA-N 0 0 219.244 2.121 20 5 BEBDRN O=C(c1ccccc1[N+](=O)[O-])N(C1CC1)C1CC1 ZINC000602390587 371801787 /nfs/dbraw/zinc/80/17/87/371801787.db2.gz MVFIHENDLXBBDE-UHFFFAOYSA-N 0 0 246.266 2.362 20 5 BEBDRN COc1cc(Cn2cc([N+](=O)[O-])cn2)ccc1C ZINC000603312935 371882774 /nfs/dbraw/zinc/88/27/74/371882774.db2.gz BDDNSNCDNIDEAD-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN CCc1c(C)nn(-c2ccc([N+](=O)[O-])cn2)c1C ZINC000603921276 371941169 /nfs/dbraw/zinc/94/11/69/371941169.db2.gz OMZKTOUHMKLOQM-UHFFFAOYSA-N 0 0 246.270 2.355 20 5 BEBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1F)C(F)F ZINC000603423627 371894039 /nfs/dbraw/zinc/89/40/39/371894039.db2.gz GWGPYHUEDHYTAU-BYPYZUCNSA-N 0 0 235.165 2.194 20 5 BEBDRN CCN(CC)C(=O)c1ccccc1[N+](=O)[O-] ZINC000003195608 371907469 /nfs/dbraw/zinc/90/74/69/371907469.db2.gz UZFASDJWLBSBMR-UHFFFAOYSA-N 0 0 222.244 2.077 20 5 BEBDRN C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000604396068 371974455 /nfs/dbraw/zinc/97/44/55/371974455.db2.gz OHIVESUJGYVYBI-VIFPVBQESA-N 0 0 248.282 2.371 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnoc1 ZINC000604567671 371988808 /nfs/dbraw/zinc/98/88/08/371988808.db2.gz JZYPKRKHYGHGMU-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN Cc1cnc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000133215097 372005851 /nfs/dbraw/zinc/00/58/51/372005851.db2.gz TUODEFNYQUTOQH-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN Cc1cc(C(=O)NCC2CCC2)ccc1[N+](=O)[O-] ZINC000031441282 372067907 /nfs/dbraw/zinc/06/79/07/372067907.db2.gz MAEFBDRKJJGJBY-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCC[C@@H](C)O ZINC000134052129 372151482 /nfs/dbraw/zinc/15/14/82/372151482.db2.gz PVNFUDHEPJDYQF-SECBINFHSA-N 0 0 225.244 2.053 20 5 BEBDRN O=[N+]([O-])c1ccc(CCNc2cnccn2)cc1 ZINC000040676200 373586717 /nfs/dbraw/zinc/58/67/17/373586717.db2.gz VCAWYJALNLNQIB-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN O=C(NCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000031441411 182145101 /nfs/dbraw/zinc/14/51/01/182145101.db2.gz LSKQFOLIKBGAKP-UHFFFAOYSA-N 0 0 234.255 2.125 20 5 BEBDRN C[C@@H](NCc1cc[nH]n1)c1ccc([N+](=O)[O-])cc1 ZINC000041014925 374046431 /nfs/dbraw/zinc/04/64/31/374046431.db2.gz UYNPISSFCKNDJM-SECBINFHSA-N 0 0 246.270 2.169 20 5 BEBDRN O=C(NC[C@@H]1CC=CCC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000330562668 182223720 /nfs/dbraw/zinc/22/37/20/182223720.db2.gz IUQFCJKNICZEBT-SECBINFHSA-N 0 0 249.270 2.009 20 5 BEBDRN O=C(NCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000046146865 182257937 /nfs/dbraw/zinc/25/79/37/182257937.db2.gz KCLXBXAXQDZTHN-UHFFFAOYSA-N 0 0 234.255 2.011 20 5 BEBDRN CS[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000042847799 374293115 /nfs/dbraw/zinc/29/31/15/374293115.db2.gz BYMZZNRKTPJKNI-SSDOTTSWSA-N 0 0 240.284 2.285 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCc1ccccc1F ZINC000432728975 206064022 /nfs/dbraw/zinc/06/40/22/206064022.db2.gz OBDAMANNYYCASS-UHFFFAOYSA-N 0 0 249.245 2.482 20 5 BEBDRN O=C(Nc1cccc(O)c1)c1ccc([N+](=O)[O-])o1 ZINC000013584140 182371865 /nfs/dbraw/zinc/37/18/65/182371865.db2.gz XWRUNKZSDSHSSK-UHFFFAOYSA-N 0 0 248.194 2.146 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@@]2(CCOC2)C1 ZINC000301609296 182951493 /nfs/dbraw/zinc/95/14/93/182951493.db2.gz PMTWQDSCUHWTBO-CYBMUJFWSA-N 0 0 248.282 2.212 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000125354915 182938157 /nfs/dbraw/zinc/93/81/57/182938157.db2.gz RYZIZPFZTZGDMO-UTUOFQBUSA-N 0 0 234.255 2.327 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC3(C2)CCCCC3)nc1 ZINC000373376739 182955867 /nfs/dbraw/zinc/95/58/67/182955867.db2.gz IMXPJIIUWWRZNE-UHFFFAOYSA-N 0 0 248.286 2.155 20 5 BEBDRN O=c1ccn(CC2CCCCC2)cc1[N+](=O)[O-] ZINC000174101470 183003757 /nfs/dbraw/zinc/00/37/57/183003757.db2.gz JUQNAVMNDGAOSU-UHFFFAOYSA-N 0 0 236.271 2.337 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C(C)C ZINC000192871327 259591746 /nfs/dbraw/zinc/59/17/46/259591746.db2.gz FRUKBPBHEPMHDO-UHFFFAOYSA-N 0 0 236.271 2.384 20 5 BEBDRN CCCN(C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000063602852 169061949 /nfs/dbraw/zinc/06/19/49/169061949.db2.gz YAQTXVPQLOJKDF-UHFFFAOYSA-N 0 0 236.271 2.385 20 5 BEBDRN CCCN(CC)c1ncc([N+](=O)[O-])s1 ZINC000281727849 169133756 /nfs/dbraw/zinc/13/37/56/169133756.db2.gz ANCZFKZBIABGFB-UHFFFAOYSA-N 0 0 215.278 2.288 20 5 BEBDRN CCCN(c1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000362650658 169182860 /nfs/dbraw/zinc/18/28/60/169182860.db2.gz SKCPCWJOZSZPLP-UHFFFAOYSA-N 0 0 221.260 2.369 20 5 BEBDRN CCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006310991 169212413 /nfs/dbraw/zinc/21/24/13/169212413.db2.gz VJTJIPYGQMXEDV-BQYQJAHWSA-N 0 0 234.255 2.134 20 5 BEBDRN CCCOc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000354547659 169328409 /nfs/dbraw/zinc/32/84/09/169328409.db2.gz RJTWMDWGHGAUKU-UHFFFAOYSA-N 0 0 210.233 2.395 20 5 BEBDRN CC(C)[C@H](O)CNc1c(F)cccc1[N+](=O)[O-] ZINC000287253793 383873697 /nfs/dbraw/zinc/87/36/97/383873697.db2.gz KHVXMRXOTKTORO-SNVBAGLBSA-N 0 0 242.250 2.163 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H]2F)nc1 ZINC000338825715 383834121 /nfs/dbraw/zinc/83/41/21/383834121.db2.gz XSLAVQJEGQIROQ-RKDXNWHRSA-N 0 0 225.223 2.292 20 5 BEBDRN CC(=O)c1cc(NCC(F)F)ccc1[N+](=O)[O-] ZINC000288453656 383895521 /nfs/dbraw/zinc/89/55/21/383895521.db2.gz PPEBONSMEHQWKZ-UHFFFAOYSA-N 0 0 244.197 2.474 20 5 BEBDRN C[C@@H](CO)CSCc1ccc([N+](=O)[O-])cc1 ZINC000084211668 383978846 /nfs/dbraw/zinc/97/88/46/383978846.db2.gz PUAXAYVXQNARAP-VIFPVBQESA-N 0 0 241.312 2.456 20 5 BEBDRN C[C@H](CO)CSCc1cccc([N+](=O)[O-])c1 ZINC000084211511 383984382 /nfs/dbraw/zinc/98/43/82/383984382.db2.gz CERPWZLEPISRRE-SECBINFHSA-N 0 0 241.312 2.456 20 5 BEBDRN CCC[C@H](CC)Nc1ncc([N+](=O)[O-])cn1 ZINC000050405682 384017952 /nfs/dbraw/zinc/01/79/52/384017952.db2.gz SHGGBOZNKOTANV-QMMMGPOBSA-N 0 0 224.264 2.375 20 5 BEBDRN CCCCNc1ncc([N+](=O)[O-])s1 ZINC000075825104 384041850 /nfs/dbraw/zinc/04/18/50/384041850.db2.gz ZUJGZKVCLUGVMT-UHFFFAOYSA-N 0 0 201.251 2.263 20 5 BEBDRN CC(=O)c1ccn(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000340057576 384088439 /nfs/dbraw/zinc/08/84/39/384088439.db2.gz UYGYRYXUKZRKOW-UHFFFAOYSA-N 0 0 245.238 2.042 20 5 BEBDRN C[C@H](CF)NCc1ccc([N+](=O)[O-])cc1F ZINC000309726052 384149584 /nfs/dbraw/zinc/14/95/84/384149584.db2.gz DCTZFAKAKSTCDB-SSDOTTSWSA-N 0 0 230.214 2.182 20 5 BEBDRN C[C@@H](CCO)CNc1ccc([N+](=O)[O-])cc1F ZINC000097443353 384206537 /nfs/dbraw/zinc/20/65/37/384206537.db2.gz HKCSRMFCYDYPSE-QMMMGPOBSA-N 0 0 242.250 2.164 20 5 BEBDRN Cc1ccc(OCCC[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000310554887 384192878 /nfs/dbraw/zinc/19/28/78/384192878.db2.gz XXGWFQLRVVYFDM-SNVBAGLBSA-N 0 0 239.271 2.443 20 5 BEBDRN C[C@H](CF)NCc1csc([N+](=O)[O-])c1 ZINC000336652809 384245365 /nfs/dbraw/zinc/24/53/65/384245365.db2.gz KTXJVYXOSQCWBA-ZCFIWIBFSA-N 0 0 218.253 2.104 20 5 BEBDRN CCN(C)Cc1ccc([N+](=O)[O-])cc1F ZINC000336662445 384246463 /nfs/dbraw/zinc/24/64/63/384246463.db2.gz CLPJCPBTRPNRFZ-UHFFFAOYSA-N 0 0 212.224 2.186 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCCC[C@@H](C)O ZINC000336725426 384258129 /nfs/dbraw/zinc/25/81/29/384258129.db2.gz UYYZMQZIWITVMT-SNVBAGLBSA-N 0 0 239.271 2.443 20 5 BEBDRN CO[C@H](C)CN(C)c1ccc([N+](=O)[O-])cc1C ZINC000286272846 384259699 /nfs/dbraw/zinc/25/96/99/384259699.db2.gz FUXDYPORKZMMQT-SNVBAGLBSA-N 0 0 238.287 2.374 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H]2C)n1 ZINC000133019340 384267789 /nfs/dbraw/zinc/26/77/89/384267789.db2.gz XZECUPLTSRDGIG-IONNQARKSA-N 0 0 221.260 2.366 20 5 BEBDRN CCC1CN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000335572020 384307251 /nfs/dbraw/zinc/30/72/51/384307251.db2.gz VJYBYFWHVLCTEY-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN CC[C@H](O)CNc1c(C)cccc1[N+](=O)[O-] ZINC000229994548 384344641 /nfs/dbraw/zinc/34/46/41/384344641.db2.gz YYZWKXZRECCIHJ-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN C[C@@H](NCCF)c1ccccc1[N+](=O)[O-] ZINC000308808591 384371078 /nfs/dbraw/zinc/37/10/78/384371078.db2.gz PMCSAUIDLWATBG-MRVPVSSYSA-N 0 0 212.224 2.215 20 5 BEBDRN C[C@@H]1C[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000335770721 384371516 /nfs/dbraw/zinc/37/15/16/384371516.db2.gz NFUUVLOOEAUATD-RKDXNWHRSA-N 0 0 234.255 2.218 20 5 BEBDRN CO[C@H](C)COc1ccccc1[N+](=O)[O-] ZINC000060023293 384402137 /nfs/dbraw/zinc/40/21/37/384402137.db2.gz WTAYGCUNMXMIEI-MRVPVSSYSA-N 0 0 211.217 2.009 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2C2CC2)s1 ZINC000308913645 384381702 /nfs/dbraw/zinc/38/17/02/384381702.db2.gz ZZJPZYQFGVSOEV-NKWVEPMBSA-N 0 0 225.273 2.262 20 5 BEBDRN CC(C)(O)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000286936787 384445516 /nfs/dbraw/zinc/44/55/16/384445516.db2.gz QYQFEPNRQBYSSD-UHFFFAOYSA-N 0 0 242.250 2.307 20 5 BEBDRN CC(C)OCCNc1cccc([N+](=O)[O-])c1 ZINC000126755643 384428410 /nfs/dbraw/zinc/42/84/10/384428410.db2.gz IFAUGFGMHUITEM-UHFFFAOYSA-N 0 0 224.260 2.432 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCCOCC1CC1 ZINC000224508911 384433152 /nfs/dbraw/zinc/43/31/52/384433152.db2.gz MRXXHKWDVCDKQZ-UHFFFAOYSA-N 0 0 236.271 2.433 20 5 BEBDRN CC(C)=CCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000289692240 384442406 /nfs/dbraw/zinc/44/24/06/384442406.db2.gz QHWBGQGNKNFUHE-UHFFFAOYSA-N 0 0 248.238 2.469 20 5 BEBDRN C[C@H](O)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000078771579 384462745 /nfs/dbraw/zinc/46/27/45/384462745.db2.gz QPEKBSAMGWWTLU-ZETCQYMHSA-N 0 0 244.678 2.431 20 5 BEBDRN Cc1ccc(NC[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000097442739 384522940 /nfs/dbraw/zinc/52/29/40/384522940.db2.gz XGKXIHXLAPHLIN-JTQLQIEISA-N 0 0 238.287 2.334 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCC[C@H]1CCOC1 ZINC000230103756 384526637 /nfs/dbraw/zinc/52/66/37/384526637.db2.gz OTMXGZFLPSLBFX-JTQLQIEISA-N 0 0 236.271 2.433 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCc2cnccn2)cc1 ZINC000340989062 384576277 /nfs/dbraw/zinc/57/62/77/384576277.db2.gz YTAXQTDAFVTVIB-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN CCC1(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000178178526 384619494 /nfs/dbraw/zinc/61/94/94/384619494.db2.gz GAHFJCDOQSMAJV-UHFFFAOYSA-N 0 0 238.243 2.108 20 5 BEBDRN Cc1ccc(NCC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000082997715 384620311 /nfs/dbraw/zinc/62/03/11/384620311.db2.gz SELSCLRDBHHVSS-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN CO[C@H](CC(C)C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000416908065 384643411 /nfs/dbraw/zinc/64/34/11/384643411.db2.gz CRMGDKAZHJKJBZ-SNVBAGLBSA-N 0 0 241.291 2.161 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC1 ZINC000060632956 384648390 /nfs/dbraw/zinc/64/83/90/384648390.db2.gz MWAYEPUUXGGWNO-UHFFFAOYSA-N 0 0 240.646 2.094 20 5 BEBDRN C[C@@H](C(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000559349241 384831078 /nfs/dbraw/zinc/83/10/78/384831078.db2.gz WVZLZSOOSHVBHR-SECBINFHSA-N 0 0 248.282 2.225 20 5 BEBDRN Cc1ccnc(NCc2cccc([N+](=O)[O-])c2)n1 ZINC000061859500 384790142 /nfs/dbraw/zinc/79/01/42/384790142.db2.gz GBDMZEQEWSGORL-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1ccc(N[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000103956804 384790614 /nfs/dbraw/zinc/79/06/14/384790614.db2.gz HOIGPIKTPURRHN-SNVBAGLBSA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)C2)n1 ZINC000268825943 384814004 /nfs/dbraw/zinc/81/40/04/384814004.db2.gz QTSFIQZUCXLILM-QMMMGPOBSA-N 0 0 221.260 2.144 20 5 BEBDRN Cc1ccc(N[C@@H]2CCO[C@@H]2C)c([N+](=O)[O-])c1 ZINC000147563308 384844272 /nfs/dbraw/zinc/84/42/72/384844272.db2.gz DSWVTHKVIAJWCB-NXEZZACHSA-N 0 0 236.271 2.493 20 5 BEBDRN CO[C@H](C)COc1ccc(C)cc1[N+](=O)[O-] ZINC000180936576 384844452 /nfs/dbraw/zinc/84/44/52/384844452.db2.gz NDJGRMWGCBAUJN-SECBINFHSA-N 0 0 225.244 2.317 20 5 BEBDRN C[C@H](CO)[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000077227754 384892489 /nfs/dbraw/zinc/89/24/89/384892489.db2.gz SWLWONVMXJOUNW-SFYZADRCSA-N 0 0 242.250 2.163 20 5 BEBDRN CS[C@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000128809289 384962975 /nfs/dbraw/zinc/96/29/75/384962975.db2.gz LHUSGUHNWACDDF-SSDOTTSWSA-N 0 0 227.289 2.153 20 5 BEBDRN Cc1ccc([C@H](C)NC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000177833484 385077498 /nfs/dbraw/zinc/07/74/98/385077498.db2.gz LOLCUXLGKXZXIO-VIFPVBQESA-N 0 0 248.282 2.490 20 5 BEBDRN O=C1C[C@H]2CC[C@@H](C1)N2c1ccccc1[N+](=O)[O-] ZINC000516186459 385077940 /nfs/dbraw/zinc/07/79/40/385077940.db2.gz LNUHMGUEQSISAM-AOOOYVTPSA-N 0 0 246.266 2.295 20 5 BEBDRN CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177853202 385111395 /nfs/dbraw/zinc/11/13/95/385111395.db2.gz RCTCZHSHBVOGRL-QMMMGPOBSA-N 0 0 222.244 2.100 20 5 BEBDRN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000428086971 385186835 /nfs/dbraw/zinc/18/68/35/385186835.db2.gz XFVVAVCYOJUCMS-ZSBIGDGJSA-N 0 0 246.266 2.123 20 5 BEBDRN CO[C@@H](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000263836383 385151615 /nfs/dbraw/zinc/15/16/15/385151615.db2.gz NXGKFVCTKKEHLN-VIFPVBQESA-N 0 0 224.260 2.432 20 5 BEBDRN Cc1ccc(NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC000338279478 385227399 /nfs/dbraw/zinc/22/73/99/385227399.db2.gz HZZQCUCLRFUEJC-UHFFFAOYSA-N 0 0 235.287 2.021 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1NCCF ZINC000287886918 385246711 /nfs/dbraw/zinc/24/67/11/385246711.db2.gz URPQBHXLJVDHBZ-UHFFFAOYSA-N 0 0 202.160 2.115 20 5 BEBDRN CO[C@@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000338672013 385266644 /nfs/dbraw/zinc/26/66/44/385266644.db2.gz CWMMAEUBHBROPR-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN C[C@@H](CO)Sc1c(F)cccc1[N+](=O)[O-] ZINC000288168768 385274268 /nfs/dbraw/zinc/27/42/68/385274268.db2.gz AVWGYZVEHWTDAJ-LURJTMIESA-N 0 0 231.248 2.207 20 5 BEBDRN CCCCNc1c([N+](=O)[O-])nc(C)n1CC ZINC000288147551 385276720 /nfs/dbraw/zinc/27/67/20/385276720.db2.gz OASAFNIAEUESIN-UHFFFAOYSA-N 0 0 226.280 2.332 20 5 BEBDRN Cc1cnc(N[C@@H](C)CF)c([N+](=O)[O-])c1 ZINC000288188108 385279236 /nfs/dbraw/zinc/27/92/36/385279236.db2.gz JODNUYDOYGHBLU-ZETCQYMHSA-N 0 0 213.212 2.068 20 5 BEBDRN C[C@H](F)CCNc1ccc([N+](=O)[O-])nc1 ZINC000338756062 385279314 /nfs/dbraw/zinc/27/93/14/385279314.db2.gz PUDXWDVMLSESOH-ZETCQYMHSA-N 0 0 213.212 2.150 20 5 BEBDRN O=[N+]([O-])c1ccc(CNCC(F)F)c(F)c1 ZINC000309325641 385279801 /nfs/dbraw/zinc/27/98/01/385279801.db2.gz QTFMQCNJJQCTKY-UHFFFAOYSA-N 0 0 234.177 2.089 20 5 BEBDRN CSC[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000189689961 385280347 /nfs/dbraw/zinc/28/03/47/385280347.db2.gz MXCSWXITBFMGOA-YFKPBYRVSA-N 0 0 233.318 2.215 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2CCSCC2)s1 ZINC000189690572 385280733 /nfs/dbraw/zinc/28/07/33/385280733.db2.gz MDVKPKFUBNYXSR-UHFFFAOYSA-N 0 0 245.329 2.359 20 5 BEBDRN COC[C@H](Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000126228004 385329949 /nfs/dbraw/zinc/32/99/49/385329949.db2.gz OAMAPTUOLCFKTR-LBPRGKRZSA-N 0 0 236.271 2.432 20 5 BEBDRN CC[C@H]1CC[C@@H](C)N1c1ncc([N+](=O)[O-])cn1 ZINC000274007933 385389373 /nfs/dbraw/zinc/38/93/73/385389373.db2.gz UMEJIVHARQLPMF-BDAKNGLRSA-N 0 0 236.275 2.152 20 5 BEBDRN C[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1F ZINC000408462591 385364851 /nfs/dbraw/zinc/36/48/51/385364851.db2.gz ACODYPMVHHXHQT-SSDOTTSWSA-N 0 0 225.223 2.118 20 5 BEBDRN C[C@@H](CCCO)CNc1ccc([N+](=O)[O-])cc1 ZINC000295027104 385385938 /nfs/dbraw/zinc/38/59/38/385385938.db2.gz VFGIWYUFAUVAJN-JTQLQIEISA-N 0 0 238.287 2.415 20 5 BEBDRN CC[C@@H](C)[C@@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000264775508 385509379 /nfs/dbraw/zinc/50/93/79/385509379.db2.gz HHIKRRCNAQKUSO-SKDRFNHKSA-N 0 0 238.287 2.414 20 5 BEBDRN CC[C@H](CNc1nc(C)ccc1[N+](=O)[O-])OC ZINC000290687207 385520786 /nfs/dbraw/zinc/52/07/86/385520786.db2.gz MADNTUGTGHOMDY-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN CO[C@H](C)CCNc1ncc([N+](=O)[O-])cc1C ZINC000264463824 385568298 /nfs/dbraw/zinc/56/82/98/385568298.db2.gz LISJLWMTHILMCN-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN CC[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)OC ZINC000290705355 385569185 /nfs/dbraw/zinc/56/91/85/385569185.db2.gz NVQSCRKNZVAKTM-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@H]2O)cc1 ZINC000052006157 385597477 /nfs/dbraw/zinc/59/74/77/385597477.db2.gz IMYWFOMOCWPKJN-RYUDHWBXSA-N 0 0 236.271 2.310 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NCc1ccsc1 ZINC000107819006 385585595 /nfs/dbraw/zinc/58/55/95/385585595.db2.gz NJJAYICUEUWTDN-UHFFFAOYSA-N 0 0 238.272 2.002 20 5 BEBDRN CC[C@@H](C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000264849454 385675071 /nfs/dbraw/zinc/67/50/71/385675071.db2.gz ZKYPJNWACARYBR-SKDRFNHKSA-N 0 0 238.287 2.414 20 5 BEBDRN Cc1ccc(C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000005781912 385700390 /nfs/dbraw/zinc/70/03/90/385700390.db2.gz RRJBUFUVPLLLJD-UHFFFAOYSA-N 0 0 223.228 2.468 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(F)F ZINC000292645055 385706564 /nfs/dbraw/zinc/70/65/64/385706564.db2.gz JRXJSBZPXNVROR-UHFFFAOYSA-N 0 0 244.197 2.497 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CCC2)c2nonc21 ZINC000052211519 385708762 /nfs/dbraw/zinc/70/87/62/385708762.db2.gz LDXPRJQPTFUAQI-UHFFFAOYSA-N 0 0 234.215 2.095 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC(F)C2)c2ncccc12 ZINC000343522351 385713252 /nfs/dbraw/zinc/71/32/52/385713252.db2.gz MSCCSFZPJSZWGM-UHFFFAOYSA-N 0 0 247.229 2.301 20 5 BEBDRN CSCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000292660279 385715424 /nfs/dbraw/zinc/71/54/24/385715424.db2.gz NJBIMBBFEXQTHX-UHFFFAOYSA-N 0 0 217.221 2.433 20 5 BEBDRN Cc1nnc([C@H](C)Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000343948532 385737948 /nfs/dbraw/zinc/73/79/48/385737948.db2.gz HKAXOIICYKMTMF-ZETCQYMHSA-N 0 0 247.258 2.194 20 5 BEBDRN O=C(CC1CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000265642776 385722396 /nfs/dbraw/zinc/72/23/96/385722396.db2.gz UPZWNCDGXCZMPE-UHFFFAOYSA-N 0 0 246.266 2.284 20 5 BEBDRN C[C@@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])CS1 ZINC000397847054 385724691 /nfs/dbraw/zinc/72/46/91/385724691.db2.gz IQQOKKLIPIIJDS-SFYZADRCSA-N 0 0 239.300 2.296 20 5 BEBDRN CO[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000292824234 385727364 /nfs/dbraw/zinc/72/73/64/385727364.db2.gz ZZLLSSDEBCJWNY-QMMMGPOBSA-N 0 0 242.250 2.489 20 5 BEBDRN C[C@H](NC(=O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000271839520 385855154 /nfs/dbraw/zinc/85/51/54/385855154.db2.gz YFSHTYQNGOYYBI-QMMMGPOBSA-N 0 0 234.255 2.182 20 5 BEBDRN CS[C@@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000128809103 386051988 /nfs/dbraw/zinc/05/19/88/386051988.db2.gz LHUSGUHNWACDDF-ZETCQYMHSA-N 0 0 227.289 2.153 20 5 BEBDRN CC[C@@H](CCO)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000077232080 386163075 /nfs/dbraw/zinc/16/30/75/386163075.db2.gz VDPVLDMEPCBZBT-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@@H](C)CON=c1[nH]cccc1[N+](=O)[O-] ZINC000291848063 386202535 /nfs/dbraw/zinc/20/25/35/386202535.db2.gz MGGBXWCLGCBTPY-MRVPVSSYSA-N 0 0 225.248 2.379 20 5 BEBDRN C[C@H](CCCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000087360526 386196552 /nfs/dbraw/zinc/19/65/52/386196552.db2.gz CWNMOSQTFFPXGO-SECBINFHSA-N 0 0 224.260 2.168 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1CSCCCO ZINC000413015343 386261584 /nfs/dbraw/zinc/26/15/84/386261584.db2.gz JZUNIHGFVVAYOR-UHFFFAOYSA-N 0 0 245.275 2.350 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])c2nonc21)C1CCC1 ZINC000266290514 386277836 /nfs/dbraw/zinc/27/78/36/386277836.db2.gz WQGHIICJIXDKAW-UHFFFAOYSA-N 0 0 248.242 2.120 20 5 BEBDRN Cc1ccc(C(=O)NCC2(C)CC2)cc1[N+](=O)[O-] ZINC000357509964 386358792 /nfs/dbraw/zinc/35/87/92/386358792.db2.gz NGBOJOWZCYTQCK-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN CC[C@H]1CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000294161412 386441774 /nfs/dbraw/zinc/44/17/74/386441774.db2.gz VQKUXGIXOYWGML-NSHDSACASA-N 0 0 248.282 2.148 20 5 BEBDRN O=[N+]([O-])c1cnc(Oc2cccnc2)s1 ZINC000190305923 386430651 /nfs/dbraw/zinc/43/06/51/386430651.db2.gz JSRFWYOEYAFEQB-UHFFFAOYSA-N 0 0 223.213 2.239 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(N2CC[C@H](C)C2)c1 ZINC000266363548 386493737 /nfs/dbraw/zinc/49/37/37/386493737.db2.gz KWZCOVXJSFEBFF-VIFPVBQESA-N 0 0 236.271 2.450 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC([C@@H]2CCOC2)C1 ZINC000366467566 386527563 /nfs/dbraw/zinc/52/75/63/386527563.db2.gz BAXSEUPEDSRJAA-SNVBAGLBSA-N 0 0 248.282 2.068 20 5 BEBDRN Cc1cnc(NCc2cccc([N+](=O)[O-])c2)nc1 ZINC000063048940 386584814 /nfs/dbraw/zinc/58/48/14/386584814.db2.gz AEQXVXVXBBANCI-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1ccc(Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000184471318 386549493 /nfs/dbraw/zinc/54/94/93/386549493.db2.gz AMSSICDSVJKZNL-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CC(C)=CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000232634841 386550107 /nfs/dbraw/zinc/55/01/07/386550107.db2.gz KHBGNVZADXFOPB-UHFFFAOYSA-N 0 0 224.264 2.015 20 5 BEBDRN CO[C@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000267636670 386565110 /nfs/dbraw/zinc/56/51/10/386565110.db2.gz KHVLEHGCTQBBFS-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN CC1(C)C[C@@H]1Nc1ccncc1[N+](=O)[O-] ZINC000045135719 386605569 /nfs/dbraw/zinc/60/55/69/386605569.db2.gz DXYXCSFQRRACRO-VIFPVBQESA-N 0 0 207.233 2.200 20 5 BEBDRN Cc1cnc(N2CCC[C@@H]2CF)c([N+](=O)[O-])c1 ZINC000292697337 386712076 /nfs/dbraw/zinc/71/20/76/386712076.db2.gz AJTYPTFALHNBIG-SECBINFHSA-N 0 0 239.250 2.237 20 5 BEBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NC1CCC1 ZINC000267982017 386703301 /nfs/dbraw/zinc/70/33/01/386703301.db2.gz LULGYXABIJBQSC-UHFFFAOYSA-N 0 0 248.282 2.196 20 5 BEBDRN C[C@@H](F)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000356669946 386713222 /nfs/dbraw/zinc/71/32/22/386713222.db2.gz KMMLNHICTHUWCM-MRVPVSSYSA-N 0 0 240.234 2.073 20 5 BEBDRN C[C@H](F)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000356714890 386720566 /nfs/dbraw/zinc/72/05/66/386720566.db2.gz SOLBSCDJUDSKBB-QMMMGPOBSA-N 0 0 240.234 2.073 20 5 BEBDRN CCOCCOc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000340709862 386760935 /nfs/dbraw/zinc/76/09/35/386760935.db2.gz ZDPYVJYPRPPEPZ-UHFFFAOYSA-N 0 0 240.259 2.022 20 5 BEBDRN O=[N+]([O-])c1ccc2[nH]c(NC3CC3)nc2c1 ZINC000087225516 386742077 /nfs/dbraw/zinc/74/20/77/386742077.db2.gz LAKKADIJMZBZLG-UHFFFAOYSA-N 0 0 218.216 2.045 20 5 BEBDRN CO[C@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000268041892 386816440 /nfs/dbraw/zinc/81/64/40/386816440.db2.gz OSXVFYFOZYSRKC-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)[C@@H]2CCOC2)c1 ZINC000268063894 386827491 /nfs/dbraw/zinc/82/74/91/386827491.db2.gz ZRNBRWOAAYFLPY-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1nnc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000295000477 387032727 /nfs/dbraw/zinc/03/27/27/387032727.db2.gz RTEFUWJJTUSLQQ-ZETCQYMHSA-N 0 0 248.242 2.459 20 5 BEBDRN CCCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000185171478 387011459 /nfs/dbraw/zinc/01/14/59/387011459.db2.gz VFYMALVGVQMUHO-UHFFFAOYSA-N 0 0 209.249 2.469 20 5 BEBDRN CCOCCOc1c(F)cccc1[N+](=O)[O-] ZINC000185181110 387012888 /nfs/dbraw/zinc/01/28/88/387012888.db2.gz MNOCGUYLPQXNNM-UHFFFAOYSA-N 0 0 229.207 2.149 20 5 BEBDRN CCOc1cc(NCCOC)ccc1[N+](=O)[O-] ZINC000111045455 387071852 /nfs/dbraw/zinc/07/18/52/387071852.db2.gz ZSUBSPPVLZGIIT-UHFFFAOYSA-N 0 0 240.259 2.052 20 5 BEBDRN CCOCCNc1c(C)cccc1[N+](=O)[O-] ZINC000112209082 387103329 /nfs/dbraw/zinc/10/33/29/387103329.db2.gz PGYLMERTKQKXED-UHFFFAOYSA-N 0 0 224.260 2.352 20 5 BEBDRN CO[C@@H](C)CNc1ccc([N+](=O)[O-])cc1 ZINC000224321900 387125663 /nfs/dbraw/zinc/12/56/63/387125663.db2.gz KDHVLGAFNDLSFC-QMMMGPOBSA-N 0 0 210.233 2.042 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](C)CCCO)c1 ZINC000088503643 387290442 /nfs/dbraw/zinc/29/04/42/387290442.db2.gz MMOIOVFOKMEKOZ-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1ccc(OCC(C)(C)O)cc1[N+](=O)[O-] ZINC000270051682 387299340 /nfs/dbraw/zinc/29/93/40/387299340.db2.gz ATWCHYUBEPOTNG-UHFFFAOYSA-N 0 0 225.244 2.053 20 5 BEBDRN CC[C@@H](F)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000440596700 387360936 /nfs/dbraw/zinc/36/09/36/387360936.db2.gz AFNFQSRVXXRAEX-SECBINFHSA-N 0 0 243.234 2.214 20 5 BEBDRN CC[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000035606411 387374219 /nfs/dbraw/zinc/37/42/19/387374219.db2.gz BLNWVYSSSFEHAP-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN CCCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054126736 387346939 /nfs/dbraw/zinc/34/69/39/387346939.db2.gz BVHTVCWOZQIXTH-UHFFFAOYSA-N 0 0 240.234 2.264 20 5 BEBDRN CCC1(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000295826057 387436203 /nfs/dbraw/zinc/43/62/03/387436203.db2.gz IBIHDKBNVKUPJJ-UHFFFAOYSA-N 0 0 240.284 2.329 20 5 BEBDRN CCC1(Nc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296196222 387543077 /nfs/dbraw/zinc/54/30/77/387543077.db2.gz DZYMXYVFYXDSCR-UHFFFAOYSA-N 0 0 222.248 2.048 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC2CC2)n1 ZINC000088036089 387526176 /nfs/dbraw/zinc/52/61/76/387526176.db2.gz VPJZMOHVYNTCQA-UHFFFAOYSA-N 0 0 207.233 2.120 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2C(F)F)cn1 ZINC000348217206 387530160 /nfs/dbraw/zinc/53/01/60/387530160.db2.gz JFVCVSBZIPVYPA-BQBZGAKWSA-N 0 0 229.186 2.055 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)CC[C@H](C)O)c1 ZINC000088725936 387654429 /nfs/dbraw/zinc/65/44/29/387654429.db2.gz LQIZWSDKWGEYPK-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](C)CCO)c1 ZINC000088724688 387654504 /nfs/dbraw/zinc/65/45/04/387654504.db2.gz HZJYRHSGUMRMQD-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN CC(C)CCCNc1ncc([N+](=O)[O-])cn1 ZINC000040454884 387678823 /nfs/dbraw/zinc/67/88/23/387678823.db2.gz OXQPHFPGTHCDCD-UHFFFAOYSA-N 0 0 224.264 2.233 20 5 BEBDRN Cc1ccnc(N2C[C@H](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000267728370 387742833 /nfs/dbraw/zinc/74/28/33/387742833.db2.gz VPBDYMHJTNTLEE-AOOOYVTPSA-N 0 0 235.287 2.390 20 5 BEBDRN C[C@H](NCc1c[nH]cn1)c1ccc([N+](=O)[O-])cc1 ZINC000088750668 387721748 /nfs/dbraw/zinc/72/17/48/387721748.db2.gz BCPVPTHFXCHGLX-VIFPVBQESA-N 0 0 246.270 2.169 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(NC(C)C)n1 ZINC000309025849 177876030 /nfs/dbraw/zinc/87/60/30/177876030.db2.gz ZXBZHUPTSWDWET-UHFFFAOYSA-N 0 0 209.249 2.427 20 5 BEBDRN CCSCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000347393761 387955585 /nfs/dbraw/zinc/95/55/85/387955585.db2.gz VWGDKBLAIDCHNB-UHFFFAOYSA-N 0 0 248.691 2.121 20 5 BEBDRN Cc1cc(C(=O)NCCC2CC2)cc([N+](=O)[O-])c1 ZINC000174681175 177781981 /nfs/dbraw/zinc/78/19/81/177781981.db2.gz CMSVTDPXDBYEGE-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN Cc1cc(C(=O)NCC2(C)CC2)cc([N+](=O)[O-])c1 ZINC000357216470 177779476 /nfs/dbraw/zinc/77/94/76/177779476.db2.gz JENDAVNMAKMQIL-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN Cc1nn(CCc2ccncc2)c(C)c1[N+](=O)[O-] ZINC000589520569 388114082 /nfs/dbraw/zinc/11/40/82/388114082.db2.gz XNOBQHZDZMVPDT-UHFFFAOYSA-N 0 0 246.270 2.046 20 5 BEBDRN CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC ZINC000175155617 388116423 /nfs/dbraw/zinc/11/64/23/388116423.db2.gz PGNDSIHZJXJXPS-UHFFFAOYSA-N 0 0 238.287 2.445 20 5 BEBDRN Cc1cc(C(=O)N2C[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000294203889 177769302 /nfs/dbraw/zinc/76/93/02/177769302.db2.gz QRQUSIRLIVMUPL-NXEZZACHSA-N 0 0 248.282 2.384 20 5 BEBDRN CC1(C)COC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000313157442 256542261 /nfs/dbraw/zinc/54/22/61/256542261.db2.gz YGHHKUQOBJHGBE-LLVKDONJSA-N 0 0 236.271 2.432 20 5 BEBDRN CCN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000192959358 388260355 /nfs/dbraw/zinc/26/03/55/388260355.db2.gz OBZKVTQSKXVJOD-UHFFFAOYSA-N 0 0 248.282 2.148 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCSC2)cn1 ZINC000228581137 388261231 /nfs/dbraw/zinc/26/12/31/388261231.db2.gz RBNGPNOOOKAEJV-MRVPVSSYSA-N 0 0 239.300 2.155 20 5 BEBDRN Cc1noc(COc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000131640548 388347882 /nfs/dbraw/zinc/34/78/82/388347882.db2.gz VMNNHIGLPDNAMW-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN Cc1nnc(COc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000131651187 388348781 /nfs/dbraw/zinc/34/87/81/388348781.db2.gz MLKDNHLTMFMRMG-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CCCN(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491332327 388349248 /nfs/dbraw/zinc/34/92/48/388349248.db2.gz AAOSSLNCIIPOBA-FPLPWBNLSA-N 0 0 248.282 2.476 20 5 BEBDRN C[C@@H](CO)SCc1ccc([N+](=O)[O-])c(F)c1 ZINC000162328735 388350658 /nfs/dbraw/zinc/35/06/58/388350658.db2.gz CRPGGSYESFONDO-ZETCQYMHSA-N 0 0 245.275 2.348 20 5 BEBDRN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401879733 388360063 /nfs/dbraw/zinc/36/00/63/388360063.db2.gz NMBAVEXOCOXOHY-PSASIEDQSA-N 0 0 222.244 2.184 20 5 BEBDRN O=C(Cc1ccoc1)Nc1cccc([N+](=O)[O-])c1 ZINC000163564250 388365299 /nfs/dbraw/zinc/36/52/99/388365299.db2.gz UPFRTENMIDMPKS-UHFFFAOYSA-N 0 0 246.222 2.369 20 5 BEBDRN CO[C@H](C)CNc1cccc(C)c1[N+](=O)[O-] ZINC000227540617 388365980 /nfs/dbraw/zinc/36/59/80/388365980.db2.gz FFVAQSUZNRTRQF-SECBINFHSA-N 0 0 224.260 2.350 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCc2ccn(C)n2)c1 ZINC000270972337 388369319 /nfs/dbraw/zinc/36/93/19/388369319.db2.gz CKWVIDDCHFBEHR-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2ccon2)n1 ZINC000353271441 388369550 /nfs/dbraw/zinc/36/95/50/388369550.db2.gz YLIAOIHFQYBVGE-MRVPVSSYSA-N 0 0 248.242 2.459 20 5 BEBDRN CC(C)(F)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000271150108 388374346 /nfs/dbraw/zinc/37/43/46/388374346.db2.gz KBKBKZRGUNOQQL-UHFFFAOYSA-N 0 0 244.197 2.421 20 5 BEBDRN CC(F)(F)CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000549190088 388378726 /nfs/dbraw/zinc/37/87/26/388378726.db2.gz LZJKHMBWHOIIMC-UHFFFAOYSA-N 0 0 249.192 2.383 20 5 BEBDRN CC(C)(C)[C@H](CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000271569495 388393537 /nfs/dbraw/zinc/39/35/37/388393537.db2.gz BLEVRZTZKNSDET-NSHDSACASA-N 0 0 238.287 2.414 20 5 BEBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000008356950 388403702 /nfs/dbraw/zinc/40/37/02/388403702.db2.gz NPAXXKKKOPRCET-QMMMGPOBSA-N 0 0 234.255 2.123 20 5 BEBDRN CC[C@H](CCO)CNc1ccccc1[N+](=O)[O-] ZINC000094957198 388443617 /nfs/dbraw/zinc/44/36/17/388443617.db2.gz DMUZZMHQACLOMZ-SNVBAGLBSA-N 0 0 238.287 2.415 20 5 BEBDRN Cc1cnc(NCc2ccncc2)c([N+](=O)[O-])c1 ZINC000090691984 388473344 /nfs/dbraw/zinc/47/33/44/388473344.db2.gz QVXVXZFIHLQQEB-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN COC[C@H](C)N(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000194057967 388476115 /nfs/dbraw/zinc/47/61/15/388476115.db2.gz QPUPPXDIFPTIHR-JTQLQIEISA-N 0 0 238.287 2.374 20 5 BEBDRN CCOCCCCNc1ncccc1[N+](=O)[O-] ZINC000194072568 388476473 /nfs/dbraw/zinc/47/64/73/388476473.db2.gz FRKPPNFJTNYMFL-UHFFFAOYSA-N 0 0 239.275 2.218 20 5 BEBDRN CCc1ccc(Cn2nccc2[N+](=O)[O-])cc1 ZINC000172160155 388408485 /nfs/dbraw/zinc/40/84/85/388408485.db2.gz LKFPUYOZKBJOAW-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN CC(C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000172421331 388409772 /nfs/dbraw/zinc/40/97/72/388409772.db2.gz SQJXWZKEPJDJQS-UHFFFAOYSA-N 0 0 234.255 2.140 20 5 BEBDRN O=[N+]([O-])c1ncccc1OCC1CCC1 ZINC000172905361 388411544 /nfs/dbraw/zinc/41/15/44/388411544.db2.gz NUKVVOYRFZQEOJ-UHFFFAOYSA-N 0 0 208.217 2.169 20 5 BEBDRN Cc1ccc(OCC(C)(C)O)c([N+](=O)[O-])c1 ZINC000041045817 388431155 /nfs/dbraw/zinc/43/11/55/388431155.db2.gz FRNRSXKWWOSHLS-UHFFFAOYSA-N 0 0 225.244 2.053 20 5 BEBDRN CCN(CCCO)c1cc(C)ccc1[N+](=O)[O-] ZINC000122912041 388588957 /nfs/dbraw/zinc/58/89/57/388588957.db2.gz UQNDXIJXKAVTMK-UHFFFAOYSA-N 0 0 238.287 2.112 20 5 BEBDRN COc1cc(Oc2cccnn2)ccc1[N+](=O)[O-] ZINC000553228614 388589037 /nfs/dbraw/zinc/58/90/37/388589037.db2.gz VCXOBELNEIPKQT-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN CC(C)Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000153585431 388594385 /nfs/dbraw/zinc/59/43/85/388594385.db2.gz QZABCZKIRAMDCO-UHFFFAOYSA-N 0 0 230.651 2.066 20 5 BEBDRN C[C@@H](C1CC1)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000298145907 388557259 /nfs/dbraw/zinc/55/72/59/388557259.db2.gz VUABQHUUWWOECM-VIFPVBQESA-N 0 0 248.282 2.465 20 5 BEBDRN CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054851101 388579869 /nfs/dbraw/zinc/57/98/69/388579869.db2.gz ARZNJPGJWSQSRW-UHFFFAOYSA-N 0 0 240.234 2.262 20 5 BEBDRN CC(C)[C@H](O)CCNc1ccccc1[N+](=O)[O-] ZINC000301421460 388582653 /nfs/dbraw/zinc/58/26/53/388582653.db2.gz NRDUAAZBRJHTIC-GFCCVEGCSA-N 0 0 238.287 2.414 20 5 BEBDRN CC[C@H](COC)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000161558372 388671187 /nfs/dbraw/zinc/67/11/87/388671187.db2.gz BNNRKPZYAQJEKP-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN CC[C@@H](Cn1cc([N+](=O)[O-])c(C2CC2)n1)OC ZINC000416911499 388672503 /nfs/dbraw/zinc/67/25/03/388672503.db2.gz SWXKMOHAKOSWHK-VIFPVBQESA-N 0 0 239.275 2.094 20 5 BEBDRN CC(C)=CC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148591 388679532 /nfs/dbraw/zinc/67/95/32/388679532.db2.gz GYZDKSARTDCFDS-UHFFFAOYSA-N 0 0 246.266 2.450 20 5 BEBDRN C[C@@H](O)CCSc1cccc([N+](=O)[O-])c1 ZINC000313465036 388684179 /nfs/dbraw/zinc/68/41/79/388684179.db2.gz XHAUVZBQRUJVKQ-MRVPVSSYSA-N 0 0 227.285 2.458 20 5 BEBDRN CC(C)(CCO)CNc1ccc([N+](=O)[O-])cc1 ZINC000078688933 388684620 /nfs/dbraw/zinc/68/46/20/388684620.db2.gz HTRVVKNIPLZQJO-UHFFFAOYSA-N 0 0 238.287 2.415 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C)CC2)c1 ZINC000094659385 388637456 /nfs/dbraw/zinc/63/74/56/388637456.db2.gz DETWQSYCDQCXJB-UHFFFAOYSA-N 0 0 249.314 2.409 20 5 BEBDRN Cc1cccc(OCc2ccnn2C)c1[N+](=O)[O-] ZINC000091588719 388638381 /nfs/dbraw/zinc/63/83/81/388638381.db2.gz DLFJLDPJZPGYNO-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN CO[C@@H](C)[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000276379780 388739215 /nfs/dbraw/zinc/73/92/15/388739215.db2.gz YULHJLXWZQIUON-IUCAKERBSA-N 0 0 239.275 2.134 20 5 BEBDRN CC[C@@H]1C[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000448749235 388744474 /nfs/dbraw/zinc/74/44/74/388744474.db2.gz NVDSJXUHPIIJGQ-ZYHUDNBSSA-N 0 0 248.282 2.257 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CCSCC2)cn1 ZINC000124336334 388745575 /nfs/dbraw/zinc/74/55/75/388745575.db2.gz RTTZQWKMSSWOFC-UHFFFAOYSA-N 0 0 239.300 2.297 20 5 BEBDRN CSC[C@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000124736891 388755112 /nfs/dbraw/zinc/75/51/12/388755112.db2.gz RCGYNYXSGLKHST-ZETCQYMHSA-N 0 0 227.289 2.153 20 5 BEBDRN CC[C@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000054473940 388688208 /nfs/dbraw/zinc/68/82/08/388688208.db2.gz RKPWPFLDGZCZSH-QMMMGPOBSA-N 0 0 209.249 2.448 20 5 BEBDRN CSC[C@@H](C)Nc1ccc([N+](=O)[O-])nc1 ZINC000124737122 388755697 /nfs/dbraw/zinc/75/56/97/388755697.db2.gz RCGYNYXSGLKHST-SSDOTTSWSA-N 0 0 227.289 2.153 20 5 BEBDRN O=[N+]([O-])c1cnc(NC23CCC(CC2)C3)nc1 ZINC000373393047 388709820 /nfs/dbraw/zinc/70/98/20/388709820.db2.gz LJLQUEFQWSJYDV-UHFFFAOYSA-N 0 0 234.259 2.129 20 5 BEBDRN CC[C@@H](CCO)Nc1ccc([N+](=O)[O-])cc1C ZINC000080647681 388712252 /nfs/dbraw/zinc/71/22/52/388712252.db2.gz GGTACTDHUPBYOG-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1ccc(N[C@@H](C)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000080647045 388712550 /nfs/dbraw/zinc/71/25/50/388712550.db2.gz YUTWYATUHKDGSJ-ZJUUUORDSA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1ccnc(N2[C@H](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000530431846 388713262 /nfs/dbraw/zinc/71/32/62/388713262.db2.gz MFDLQMCANSFRNV-RKDXNWHRSA-N 0 0 221.260 2.285 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2[C@H](C)C[C@@H]2C)n1 ZINC000530484738 388715208 /nfs/dbraw/zinc/71/52/08/388715208.db2.gz VGVRSBUQFULTBE-DTORHVGOSA-N 0 0 221.260 2.285 20 5 BEBDRN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000428105410 388720075 /nfs/dbraw/zinc/72/00/75/388720075.db2.gz FGBXHHKUPGTHIW-GDGBQDQQSA-N 0 0 246.266 2.123 20 5 BEBDRN CC(C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330371433 388756874 /nfs/dbraw/zinc/75/68/74/388756874.db2.gz ACWYNMMQPWFUIV-QMMMGPOBSA-N 0 0 239.275 2.087 20 5 BEBDRN Cc1cncc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000430669270 388730448 /nfs/dbraw/zinc/73/04/48/388730448.db2.gz ZYSJKKGPTAIWRJ-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN CN(CCC1CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000156351951 388805585 /nfs/dbraw/zinc/80/55/85/388805585.db2.gz QPFDBZRPFWCCEX-UHFFFAOYSA-N 0 0 248.282 2.467 20 5 BEBDRN Cc1ccc(OC[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000330796396 388761892 /nfs/dbraw/zinc/76/18/92/388761892.db2.gz FVEYGFKDXHFDCQ-SNVBAGLBSA-N 0 0 237.255 2.319 20 5 BEBDRN CCSCn1nc(C)c([N+](=O)[O-])c1C ZINC000330977261 388763472 /nfs/dbraw/zinc/76/34/72/388763472.db2.gz OLGGJTMWNXKDEI-UHFFFAOYSA-N 0 0 215.278 2.119 20 5 BEBDRN CC[C@@H](C)Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000155792671 388777224 /nfs/dbraw/zinc/77/72/24/388777224.db2.gz ZSPCLSFIBHWULJ-MRVPVSSYSA-N 0 0 224.260 2.111 20 5 BEBDRN Cc1c(CNC(=O)C2(C)CC2)cccc1[N+](=O)[O-] ZINC000332127921 388783758 /nfs/dbraw/zinc/78/37/58/388783758.db2.gz DGQPSRLSWZXLIY-UHFFFAOYSA-N 0 0 248.282 2.320 20 5 BEBDRN CC(C)C[C@H](C)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000280968892 388790025 /nfs/dbraw/zinc/79/00/25/388790025.db2.gz KVHWXGXMKVGSKG-JTQLQIEISA-N 0 0 238.287 2.439 20 5 BEBDRN Cc1cc(=O)n(CC2(C)CCC2)cc1[N+](=O)[O-] ZINC000282896628 388819795 /nfs/dbraw/zinc/81/97/95/388819795.db2.gz DSWDBGRYZGXXHE-UHFFFAOYSA-N 0 0 236.271 2.255 20 5 BEBDRN C[C@H]1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000157212167 388829191 /nfs/dbraw/zinc/82/91/91/388829191.db2.gz MFNAQDDFYMFDEG-JGVFFNPUSA-N 0 0 238.243 2.106 20 5 BEBDRN C[C@H](CCCO)Nc1sccc1[N+](=O)[O-] ZINC000302023348 388835408 /nfs/dbraw/zinc/83/54/08/388835408.db2.gz OYMMEOKSHTUDLI-SSDOTTSWSA-N 0 0 230.289 2.229 20 5 BEBDRN C[C@@H](O)C[C@H](C)CNc1sccc1[N+](=O)[O-] ZINC000302045489 388836971 /nfs/dbraw/zinc/83/69/71/388836971.db2.gz XYFUNSBTDKIDLH-JGVFFNPUSA-N 0 0 244.316 2.475 20 5 BEBDRN CCC1(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000297647274 388836991 /nfs/dbraw/zinc/83/69/91/388836991.db2.gz DVJPYQNPYUXEEM-UHFFFAOYSA-N 0 0 234.255 2.267 20 5 BEBDRN CN(Cc1ccccc1)c1ncc([N+](=O)[O-])cn1 ZINC000302136416 388838719 /nfs/dbraw/zinc/83/87/19/388838719.db2.gz IARAELREQTZLRY-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN O=[N+]([O-])c1cccnc1SCCCF ZINC000161789362 388840270 /nfs/dbraw/zinc/84/02/70/388840270.db2.gz FDLJEXHDIZEYTI-UHFFFAOYSA-N 0 0 216.237 2.442 20 5 BEBDRN C[C@@H](CCC1CC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000302218813 388841472 /nfs/dbraw/zinc/84/14/72/388841472.db2.gz LHQYLRDKFLNJAU-QMMMGPOBSA-N 0 0 236.275 2.375 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCCF)c(F)c1 ZINC000153233283 388857961 /nfs/dbraw/zinc/85/79/61/388857961.db2.gz YTSLLXVLGSJNFG-UHFFFAOYSA-N 0 0 217.171 2.472 20 5 BEBDRN Cc1nc(N2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000270086658 132195457 /nfs/dbraw/zinc/19/54/57/132195457.db2.gz WNYLLWWKIDHEOU-UHFFFAOYSA-N 0 0 233.271 2.455 20 5 BEBDRN Nc1c(F)c(N2CCCCC2)ccc1[N+](=O)[O-] ZINC000275430236 132204889 /nfs/dbraw/zinc/20/48/89/132204889.db2.gz RROVCAXIUSXCLW-UHFFFAOYSA-N 0 0 239.250 2.306 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1N1CCCCO1 ZINC000276105614 132206184 /nfs/dbraw/zinc/20/61/84/132206184.db2.gz YVWSEOYKHIXVNV-UHFFFAOYSA-N 0 0 226.207 2.266 20 5 BEBDRN C[C@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000285737797 132213919 /nfs/dbraw/zinc/21/39/19/132213919.db2.gz TWJBHJPXOHBSRJ-VIFPVBQESA-N 0 0 235.287 2.413 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@H](C3CC3)C2)nc1 ZINC000288146167 132216244 /nfs/dbraw/zinc/21/62/44/132216244.db2.gz GGQRYKAMJUWJBH-JTQLQIEISA-N 0 0 248.286 2.011 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CCCC2(CC2)C1 ZINC000302235730 132262314 /nfs/dbraw/zinc/26/23/14/132262314.db2.gz FNLZMNAXXUQFLL-UHFFFAOYSA-N 0 0 233.271 2.370 20 5 BEBDRN Cc1ccccc1Cn1nccc1[N+](=O)[O-] ZINC000334243836 133592810 /nfs/dbraw/zinc/59/28/10/133592810.db2.gz RPQQGDUCIGHMNX-UHFFFAOYSA-N 0 0 217.228 2.148 20 5 BEBDRN O=[N+]([O-])c1cc(CN2CC3(CC3)C2)cs1 ZINC000334742520 133746045 /nfs/dbraw/zinc/74/60/45/133746045.db2.gz JRYQUYLXGLBOBS-UHFFFAOYSA-N 0 0 224.285 2.252 20 5 BEBDRN CCC1CN(C(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000335116495 133779691 /nfs/dbraw/zinc/77/96/91/133779691.db2.gz ZVKBHHKFKKIMMR-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN C[C@@H]1C[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000335770730 133898808 /nfs/dbraw/zinc/89/88/08/133898808.db2.gz NOQGDQGQRVQFQA-DTORHVGOSA-N 0 0 234.255 2.218 20 5 BEBDRN Cc1ncc(CNc2cccc([N+](=O)[O-])c2)cn1 ZINC000349749232 133904039 /nfs/dbraw/zinc/90/40/39/133904039.db2.gz OWKZMGNPMSZKKC-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN O=[N+]([O-])c1cc(CN2CCC(F)(F)C2)cs1 ZINC000335957851 134023701 /nfs/dbraw/zinc/02/37/01/134023701.db2.gz CGZJZYRQWLVVSP-UHFFFAOYSA-N 0 0 248.254 2.497 20 5 BEBDRN C[C@@H]1CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000336141710 134100627 /nfs/dbraw/zinc/10/06/27/134100627.db2.gz OLAAJNOMNPERNJ-KCJUWKMLSA-N 0 0 234.255 2.123 20 5 BEBDRN C[C@@H]1CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000336143365 134100992 /nfs/dbraw/zinc/10/09/92/134100992.db2.gz QLVRBQLQHMGWCA-LDYMZIIASA-N 0 0 234.255 2.123 20 5 BEBDRN C[C@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000336184172 134120706 /nfs/dbraw/zinc/12/07/06/134120706.db2.gz CDJLGGOJUASLPI-UWVGGRQHSA-N 0 0 248.282 2.465 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@H]2CCCCO2)s1 ZINC000226771557 134371066 /nfs/dbraw/zinc/37/10/66/134371066.db2.gz OFZKXCWYFCRPLF-SSDOTTSWSA-N 0 0 243.288 2.032 20 5 BEBDRN Cc1cnc(N2CCC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000408109583 134393872 /nfs/dbraw/zinc/39/38/72/134393872.db2.gz YKFVGWITJIAWNY-VIFPVBQESA-N 0 0 239.250 2.237 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[C@@H](C)O ZINC000228133773 134408283 /nfs/dbraw/zinc/40/82/83/134408283.db2.gz VZQLTUYYIGXSSH-VHSXEESVSA-N 0 0 238.287 2.475 20 5 BEBDRN C[C@@H]1CCC[C@@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000230697190 134531810 /nfs/dbraw/zinc/53/18/10/134531810.db2.gz GCELMDJIBLEABG-RKDXNWHRSA-N 0 0 238.291 2.176 20 5 BEBDRN C[C@H](O)CCOc1c(Cl)cccc1[N+](=O)[O-] ZINC000235559962 134595732 /nfs/dbraw/zinc/59/57/32/134595732.db2.gz KPMXAOQEHKTXOM-ZETCQYMHSA-N 0 0 245.662 2.398 20 5 BEBDRN Cc1ccc(OCC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000134054356 134699707 /nfs/dbraw/zinc/69/97/07/134699707.db2.gz PDEMSVFNQDFFQN-VIFPVBQESA-N 0 0 225.244 2.053 20 5 BEBDRN Cc1cccnc1CNc1ccc([N+](=O)[O-])nc1 ZINC000071344334 134930987 /nfs/dbraw/zinc/93/09/87/134930987.db2.gz FAEDQAAQVXTDTE-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2ccon2)cc1 ZINC000086443360 135085668 /nfs/dbraw/zinc/08/56/68/135085668.db2.gz AWGXWPZFVWQWIH-UHFFFAOYSA-N 0 0 219.200 2.195 20 5 BEBDRN O=[N+]([O-])c1cccc(OC[C@H]2CCCO2)c1 ZINC000072557261 135389598 /nfs/dbraw/zinc/38/95/98/135389598.db2.gz MYEKKFVJDCALMS-LLVKDONJSA-N 0 0 223.228 2.153 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC2 ZINC000334993550 135860179 /nfs/dbraw/zinc/86/01/79/135860179.db2.gz HQXZJEXOCGSHGW-JTQLQIEISA-N 0 0 232.239 2.333 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC(C)C1 ZINC000335043860 135872471 /nfs/dbraw/zinc/87/24/71/135872471.db2.gz NOMBBUFGTDBFII-UHFFFAOYSA-N 0 0 248.282 2.304 20 5 BEBDRN O=[N+]([O-])c1ccccc1/C=C\CN1CC(F)C1 ZINC000346327732 135919502 /nfs/dbraw/zinc/91/95/02/135919502.db2.gz LTAJSHGJXYESRU-HYXAFXHYSA-N 0 0 236.246 2.262 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[C@H]1C ZINC000335289965 135998038 /nfs/dbraw/zinc/99/80/38/135998038.db2.gz OHRNNGYPUBLABK-SCZZXKLOSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1ccc(NCc2c([N+](=O)[O-])ncn2C)cc1 ZINC000347727138 136004188 /nfs/dbraw/zinc/00/41/88/136004188.db2.gz RJZWIBHOJOTILL-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2C[C@H]2C(F)F)s1 ZINC000348231253 136060703 /nfs/dbraw/zinc/06/07/03/136060703.db2.gz YVEZGXQTCSYAOL-DMTCNVIQSA-N 0 0 235.215 2.117 20 5 BEBDRN O=c1c(F)cc([N+](=O)[O-])cn1CC1CCCC1 ZINC000335342554 136064910 /nfs/dbraw/zinc/06/49/10/136064910.db2.gz VUZOSWVUDSEHCN-UHFFFAOYSA-N 0 0 240.234 2.086 20 5 BEBDRN CCC1CN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000335570159 136109234 /nfs/dbraw/zinc/10/92/34/136109234.db2.gz BHGUGZUGQDLIFV-UHFFFAOYSA-N 0 0 234.255 2.077 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1C[C@H](O)C1 ZINC000596556366 398084010 /nfs/dbraw/zinc/08/40/10/398084010.db2.gz MWONIHCRLROIGM-ZKCHVHJHSA-N 0 0 242.662 2.183 20 5 BEBDRN C[C@@H]1C[C@H]1Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347435350 398116547 /nfs/dbraw/zinc/11/65/47/398116547.db2.gz RXFHDQGWJUUICY-VXNVDRBHSA-N 0 0 244.254 2.358 20 5 BEBDRN Cc1cccc2nc(-n3cc([N+](=O)[O-])cn3)oc21 ZINC001650317207 1172883067 /nfs/dbraw/zinc/88/30/67/1172883067.db2.gz OOTOWSPVOJKWAC-UHFFFAOYSA-N 0 0 244.210 2.230 20 5 BEBDRN O=[N+]([O-])c1ncccc1OCc1cccc(F)n1 ZINC001651599281 1172962465 /nfs/dbraw/zinc/96/24/65/1172962465.db2.gz FFWSPDGWLZDISJ-UHFFFAOYSA-N 0 0 249.201 2.103 20 5 BEBDRN CCN(CC)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147524 169758924 /nfs/dbraw/zinc/75/89/24/169758924.db2.gz DQWRZYTXSMLVRR-UHFFFAOYSA-N 0 0 236.271 2.385 20 5 BEBDRN CC(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298585063 167085463 /nfs/dbraw/zinc/08/54/63/167085463.db2.gz GBQQLVFVMOKIEB-UHFFFAOYSA-N 0 0 248.238 2.479 20 5 BEBDRN CC(C)[C@@H](CO)Nc1cccc(F)c1[N+](=O)[O-] ZINC000080789885 167408520 /nfs/dbraw/zinc/40/85/20/167408520.db2.gz KUCMQRKAFAYUDW-SNVBAGLBSA-N 0 0 242.250 2.163 20 5 BEBDRN CC(C)[C@@H](O)CNc1c(F)cccc1[N+](=O)[O-] ZINC000287253791 167458944 /nfs/dbraw/zinc/45/89/44/167458944.db2.gz KHVXMRXOTKTORO-JTQLQIEISA-N 0 0 242.250 2.163 20 5 BEBDRN CC(C)[C@](C)(O)CNc1sccc1[N+](=O)[O-] ZINC000302026809 167535297 /nfs/dbraw/zinc/53/52/97/167535297.db2.gz QNIJZBMLXUDYRO-SNVBAGLBSA-N 0 0 244.316 2.475 20 5 BEBDRN CC/C=C/CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000296051634 167850595 /nfs/dbraw/zinc/85/05/95/167850595.db2.gz XZPGNXDMYHKSIA-ONEGZZNKSA-N 0 0 248.282 2.220 20 5 BEBDRN CCN(CC)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153503316 169806962 /nfs/dbraw/zinc/80/69/62/169806962.db2.gz DMICRYVTXBRAKM-UHFFFAOYSA-N 0 0 229.667 2.489 20 5 BEBDRN CC1(CNc2ccc([N+](=O)[O-])cc2F)COC1 ZINC000112696055 168047928 /nfs/dbraw/zinc/04/79/28/168047928.db2.gz KCWNAVRZSACMSA-UHFFFAOYSA-N 0 0 240.234 2.182 20 5 BEBDRN CC1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000357245813 168030171 /nfs/dbraw/zinc/03/01/71/168030171.db2.gz FNVARDBSMKFSGC-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN CC1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000357509893 168030588 /nfs/dbraw/zinc/03/05/88/168030588.db2.gz MQTALWQBCKMDOU-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN CC1(Nc2ncccc2[N+](=O)[O-])CCC1 ZINC000159971037 168065303 /nfs/dbraw/zinc/06/53/03/168065303.db2.gz LOXAUPNEMTXABB-UHFFFAOYSA-N 0 0 207.233 2.344 20 5 BEBDRN CCC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000283547744 168211318 /nfs/dbraw/zinc/21/13/18/168211318.db2.gz ISMUFQBUKQANKE-UHFFFAOYSA-N 0 0 236.271 2.006 20 5 BEBDRN CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000000485162 168243233 /nfs/dbraw/zinc/24/32/33/168243233.db2.gz TXVXBPZYBDCIKV-UHFFFAOYSA-N 0 0 212.180 2.082 20 5 BEBDRN CCC(=O)OCc1ncc(C)c([N+](=O)[O-])c1C ZINC000189256883 168249277 /nfs/dbraw/zinc/24/92/77/168249277.db2.gz HWDFTCGMXVOCHW-UHFFFAOYSA-N 0 0 238.243 2.060 20 5 BEBDRN CCC(C)(CC)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264886964 168309340 /nfs/dbraw/zinc/30/93/40/168309340.db2.gz JACQSZNKPWOECY-UHFFFAOYSA-N 0 0 239.275 2.231 20 5 BEBDRN CCOC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000309149957 170235697 /nfs/dbraw/zinc/23/56/97/170235697.db2.gz GMTJFYKHNWINGR-UHFFFAOYSA-N 0 0 243.646 2.354 20 5 BEBDRN CCOCCCNc1nccc(C)c1[N+](=O)[O-] ZINC000070495828 170384340 /nfs/dbraw/zinc/38/43/40/170384340.db2.gz UWLZFIONCPVYEX-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN CCOCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC000093316680 170390898 /nfs/dbraw/zinc/39/08/98/170390898.db2.gz PNVIKMOKTVXBHN-UHFFFAOYSA-N 0 0 244.316 2.125 20 5 BEBDRN CC[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000290903787 170843777 /nfs/dbraw/zinc/84/37/77/170843777.db2.gz FLDSCFQAMSSWER-QMMMGPOBSA-N 0 0 242.250 2.225 20 5 BEBDRN CC[C@@H]1CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000294058542 171020670 /nfs/dbraw/zinc/02/06/70/171020670.db2.gz PNWVJHPGXOETDB-SSDOTTSWSA-N 0 0 240.284 2.281 20 5 BEBDRN CC[C@@H]1CC[C@@H](C)N1c1c([N+](=O)[O-])ncn1C ZINC000271437943 171039053 /nfs/dbraw/zinc/03/90/53/171039053.db2.gz NYRVXPRGIDIMMV-RKDXNWHRSA-N 0 0 238.291 2.096 20 5 BEBDRN CC[C@@H]1[C@@H](C)CCN1c1ncc([N+](=O)[O-])cn1 ZINC000274652862 171157865 /nfs/dbraw/zinc/15/78/65/171157865.db2.gz CXHUBPRETUCBMG-WCBMZHEXSA-N 0 0 236.275 2.010 20 5 BEBDRN CC[C@@](C)(CO)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000094659725 171170925 /nfs/dbraw/zinc/17/09/25/171170925.db2.gz OMSUOJBEKXYUIW-LBPRGKRZSA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@H](C)CN(C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000296963891 171275443 /nfs/dbraw/zinc/27/54/43/171275443.db2.gz CUUUASGZVMYCRL-QMMMGPOBSA-N 0 0 238.291 2.176 20 5 BEBDRN CC[C@H](C)CN(C)c1c([N+](=O)[O-])c(C)nn1C ZINC000264710868 171275707 /nfs/dbraw/zinc/27/57/07/171275707.db2.gz GIGZFHMJDHFTCZ-QMMMGPOBSA-N 0 0 240.307 2.119 20 5 BEBDRN CC[C@H](C)CN(C)c1ccncc1[N+](=O)[O-] ZINC000340588069 171276200 /nfs/dbraw/zinc/27/62/00/171276200.db2.gz PONLCVHNZWLNNB-VIFPVBQESA-N 0 0 223.276 2.472 20 5 BEBDRN CC[C@H](C)Cn1cc([N+](=O)[O-])cc(C)c1=O ZINC000155792775 171301003 /nfs/dbraw/zinc/30/10/03/171301003.db2.gz ZSPCLSFIBHWULJ-QMMMGPOBSA-N 0 0 224.260 2.111 20 5 BEBDRN CC[C@H](C)N(CCO)c1ccccc1[N+](=O)[O-] ZINC000288437572 171315273 /nfs/dbraw/zinc/31/52/73/171315273.db2.gz IICUAWRCOHCGAK-JTQLQIEISA-N 0 0 238.287 2.192 20 5 BEBDRN CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000067018270 171336243 /nfs/dbraw/zinc/33/62/43/171336243.db2.gz SILNQUJCEJREJI-VIFPVBQESA-N 0 0 236.271 2.432 20 5 BEBDRN CC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037285940 171336753 /nfs/dbraw/zinc/33/67/53/171336753.db2.gz PLMWGUVBENHJMP-ZETCQYMHSA-N 0 0 240.234 2.262 20 5 BEBDRN CC[C@H](C)[C@@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000264775503 171378500 /nfs/dbraw/zinc/37/85/00/171378500.db2.gz HHIKRRCNAQKUSO-CABZTGNLSA-N 0 0 238.287 2.414 20 5 BEBDRN CC[C@H](CCO)Nc1c(C)cccc1[N+](=O)[O-] ZINC000134965552 171428891 /nfs/dbraw/zinc/42/88/91/171428891.db2.gz YCFBRMIFJRNRTC-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@H](O)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000157000576 171578792 /nfs/dbraw/zinc/57/87/92/171578792.db2.gz XHIHYGVWLIZCDV-VIFPVBQESA-N 0 0 225.244 2.053 20 5 BEBDRN CCc1nccn1Cc1cccc([N+](=O)[O-])c1 ZINC000108658058 172027560 /nfs/dbraw/zinc/02/75/60/172027560.db2.gz SHSLCMVSODLMMF-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN CCc1nn(C)c(NC2CC(C)C2)c1[N+](=O)[O-] ZINC000163745321 172038621 /nfs/dbraw/zinc/03/86/21/172038621.db2.gz KOPGOTZAJBYFQO-UHFFFAOYSA-N 0 0 238.291 2.101 20 5 BEBDRN CCc1nn(C)c(N[C@@H]2C[C@H]2CC)c1[N+](=O)[O-] ZINC000220008946 172039614 /nfs/dbraw/zinc/03/96/14/172039614.db2.gz XQZDVLDMZJDROA-VXNVDRBHSA-N 0 0 238.291 2.101 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NCC[C@H](C)F ZINC000338747574 172136848 /nfs/dbraw/zinc/13/68/48/172136848.db2.gz DEOPQZMVHDGGTJ-ZETCQYMHSA-N 0 0 244.270 2.280 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NCC1(C)CC1 ZINC000310100656 172137299 /nfs/dbraw/zinc/13/72/99/172137299.db2.gz NETVVATUHANTMQ-UHFFFAOYSA-N 0 0 238.291 2.332 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC1(C)C ZINC000288143807 172137338 /nfs/dbraw/zinc/13/73/38/172137338.db2.gz NOTWPRWVXFBFEA-QMMMGPOBSA-N 0 0 238.291 2.330 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N(C)C1CCC1 ZINC000288825395 172137538 /nfs/dbraw/zinc/13/75/38/172137538.db2.gz INVFZEYCRGVMJR-UHFFFAOYSA-N 0 0 238.291 2.108 20 5 BEBDRN CN(C(=O)C1=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000336602016 172296538 /nfs/dbraw/zinc/29/65/38/172296538.db2.gz USHCQSKOQJZBRG-UHFFFAOYSA-N 0 0 232.239 2.278 20 5 BEBDRN CN(CC1CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000298674162 172650883 /nfs/dbraw/zinc/65/08/83/172650883.db2.gz KBWPUIVRZWKRKD-UHFFFAOYSA-N 0 0 234.255 2.077 20 5 BEBDRN CN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000072251327 172651038 /nfs/dbraw/zinc/65/10/38/172651038.db2.gz KNKBKKKVWAHCBK-UHFFFAOYSA-N 0 0 234.255 2.077 20 5 BEBDRN CN(C[C@H]1CC=CCC1)c1ncc([N+](=O)[O-])cn1 ZINC000302227852 172825494 /nfs/dbraw/zinc/82/54/94/172825494.db2.gz QNVPPZRTBFPQME-JTQLQIEISA-N 0 0 248.286 2.177 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000298457410 172946915 /nfs/dbraw/zinc/94/69/15/172946915.db2.gz JOQOBDXBZACZPM-UHFFFAOYSA-N 0 0 210.208 2.333 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])c(N)c1F)C1CCC1 ZINC000274700110 172946973 /nfs/dbraw/zinc/94/69/73/172946973.db2.gz UHVXCKMVMMRSDS-UHFFFAOYSA-N 0 0 239.250 2.305 20 5 BEBDRN COC(=O)CSCc1cccc([N+](=O)[O-])c1 ZINC000328579350 173616681 /nfs/dbraw/zinc/61/66/81/173616681.db2.gz CDJZUVLJWVUDNQ-UHFFFAOYSA-N 0 0 241.268 2.001 20 5 BEBDRN COCCCCCNc1ncc([N+](=O)[O-])s1 ZINC000193855379 174184939 /nfs/dbraw/zinc/18/49/39/174184939.db2.gz BCVKIAVFBASPDL-UHFFFAOYSA-N 0 0 245.304 2.280 20 5 BEBDRN COCCCCOc1cccc([N+](=O)[O-])c1 ZINC000114095873 174205943 /nfs/dbraw/zinc/20/59/43/174205943.db2.gz INNKANVWWPDZFB-UHFFFAOYSA-N 0 0 225.244 2.400 20 5 BEBDRN COCCCN(C)c1cccc(C)c1[N+](=O)[O-] ZINC000275537322 174220103 /nfs/dbraw/zinc/22/01/03/174220103.db2.gz ZMNUCURSWGSGAK-UHFFFAOYSA-N 0 0 238.287 2.376 20 5 BEBDRN COCCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000035277432 174251896 /nfs/dbraw/zinc/25/18/96/174251896.db2.gz KODYDVMXJHIFFA-UHFFFAOYSA-N 0 0 224.260 2.352 20 5 BEBDRN COCCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000336664500 174340982 /nfs/dbraw/zinc/34/09/82/174340982.db2.gz PFMCTMKBLHPISE-UHFFFAOYSA-N 0 0 228.223 2.101 20 5 BEBDRN COCCSc1nc(C)ccc1[N+](=O)[O-] ZINC000178243109 174377172 /nfs/dbraw/zinc/37/71/72/174377172.db2.gz AVMPQCXFMJXNIU-UHFFFAOYSA-N 0 0 228.273 2.037 20 5 BEBDRN COCCSc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153872855 174377602 /nfs/dbraw/zinc/37/76/02/174377602.db2.gz GHODCVAUNSGREP-UHFFFAOYSA-N 0 0 248.691 2.382 20 5 BEBDRN COC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000035277304 174461511 /nfs/dbraw/zinc/46/15/11/174461511.db2.gz VKCGXXCPIPBSJF-SECBINFHSA-N 0 0 224.260 2.350 20 5 BEBDRN CO[C@@H](C)COc1ccc(F)cc1[N+](=O)[O-] ZINC000180982159 174707475 /nfs/dbraw/zinc/70/74/75/174707475.db2.gz DFVLGKWWBNDOIA-ZETCQYMHSA-N 0 0 229.207 2.148 20 5 BEBDRN CO[C@H](C)[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000276379776 174852877 /nfs/dbraw/zinc/85/28/77/174852877.db2.gz YULHJLXWZQIUON-DTWKUNHWSA-N 0 0 239.275 2.134 20 5 BEBDRN CO[C@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000267731889 174893038 /nfs/dbraw/zinc/89/30/38/174893038.db2.gz VVZZUCKTQIVCLD-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN COc1cc(NCCF)c([N+](=O)[O-])cc1F ZINC000280821124 175002541 /nfs/dbraw/zinc/00/25/41/175002541.db2.gz UWJARBSUIHECIC-UHFFFAOYSA-N 0 0 232.186 2.124 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1NC(=O)C1=CCC1 ZINC000355295231 175201038 /nfs/dbraw/zinc/20/10/38/175201038.db2.gz CCSBHWWNHVBIRC-UHFFFAOYSA-N 0 0 248.238 2.262 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1OC1CC1 ZINC000095730158 175201325 /nfs/dbraw/zinc/20/13/25/175201325.db2.gz ZYRATVKRMKPKGN-UHFFFAOYSA-N 0 0 209.201 2.145 20 5 BEBDRN COc1cccc(NC[C@H](C)OC)c1[N+](=O)[O-] ZINC000224339888 175279035 /nfs/dbraw/zinc/27/90/35/175279035.db2.gz YKLUQDQILBKYDY-QMMMGPOBSA-N 0 0 240.259 2.050 20 5 BEBDRN CSCCN1CCc2c1cccc2[N+](=O)[O-] ZINC000183628318 175498014 /nfs/dbraw/zinc/49/80/14/175498014.db2.gz CQAPKSRBMQYPOO-UHFFFAOYSA-N 0 0 238.312 2.320 20 5 BEBDRN C[C@@H](CO)Sc1ccc([N+](=O)[O-])cc1F ZINC000078676321 175759535 /nfs/dbraw/zinc/75/95/35/175759535.db2.gz IKCWNZWTGBFXIK-LURJTMIESA-N 0 0 231.248 2.207 20 5 BEBDRN C[C@@H](N(C)c1ncc([N+](=O)[O-])cn1)C1(C)CC1 ZINC000274055536 175794050 /nfs/dbraw/zinc/79/40/50/175794050.db2.gz ZHHAUHGRKMUFBY-MRVPVSSYSA-N 0 0 236.275 2.010 20 5 BEBDRN C[C@@H](O)CN(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000049776477 175969411 /nfs/dbraw/zinc/96/94/11/175969411.db2.gz UDEUTNAFTXRYII-SSDOTTSWSA-N 0 0 244.678 2.065 20 5 BEBDRN C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000104609285 176131400 /nfs/dbraw/zinc/13/14/00/176131400.db2.gz KAVXEQLWDBADOE-SFYZADRCSA-N 0 0 238.243 2.106 20 5 BEBDRN C[C@@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000266175989 176156075 /nfs/dbraw/zinc/15/60/75/176156075.db2.gz XKIRIVSWNMVULB-SNVBAGLBSA-N 0 0 248.282 2.006 20 5 BEBDRN C[C@@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000278749503 176181667 /nfs/dbraw/zinc/18/16/67/176181667.db2.gz RQOXQCGYXPWLDB-MRVPVSSYSA-N 0 0 221.260 2.023 20 5 BEBDRN C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])[C@@H]1C ZINC000267575979 176182773 /nfs/dbraw/zinc/18/27/73/176182773.db2.gz AWBFSXOLKBUJAP-RKDXNWHRSA-N 0 0 221.260 2.225 20 5 BEBDRN C[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000293899620 176249205 /nfs/dbraw/zinc/24/92/05/176249205.db2.gz BWVDPGUTDIIVJD-NXEZZACHSA-N 0 0 248.282 2.004 20 5 BEBDRN C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000159232600 176306190 /nfs/dbraw/zinc/30/61/90/176306190.db2.gz ONUQUKKAWHRBKY-SNVBAGLBSA-N 0 0 248.282 2.006 20 5 BEBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000267611109 176318988 /nfs/dbraw/zinc/31/89/88/176318988.db2.gz GTRSPNRSXCJTAW-DTORHVGOSA-N 0 0 221.260 2.082 20 5 BEBDRN C[C@@H]1COCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000277733969 176342401 /nfs/dbraw/zinc/34/24/01/176342401.db2.gz TXVAVHAYCCJAOR-SKDRFNHKSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@@H]1CSC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000336755645 176353844 /nfs/dbraw/zinc/35/38/44/176353844.db2.gz XTLSOJVVKSKOPK-APPZFPTMSA-N 0 0 239.300 2.153 20 5 BEBDRN C[C@@H]1CSC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000309507424 176354415 /nfs/dbraw/zinc/35/44/15/176354415.db2.gz WILNONDZZMKLHH-APPZFPTMSA-N 0 0 239.300 2.153 20 5 BEBDRN C[C@H](CO)[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000077228134 176713368 /nfs/dbraw/zinc/71/33/68/176713368.db2.gz NEUVAQHGQFEQBD-SFYZADRCSA-N 0 0 242.250 2.163 20 5 BEBDRN C[C@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000192471993 177113057 /nfs/dbraw/zinc/11/30/57/177113057.db2.gz OYNYXDQZBJUAPK-LURJTMIESA-N 0 0 213.262 2.040 20 5 BEBDRN C[C@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278556450 177112967 /nfs/dbraw/zinc/11/29/67/177112967.db2.gz WESGEKPZCDFLOD-QMMMGPOBSA-N 0 0 246.270 2.460 20 5 BEBDRN C[C@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000283746440 177171286 /nfs/dbraw/zinc/17/12/86/177171286.db2.gz KAITWUJKNOUNRZ-QMMMGPOBSA-N 0 0 221.260 2.023 20 5 BEBDRN C[C@H]1CCN(c2ncccc2[N+](=O)[O-])[C@H]1C ZINC000267575978 177172520 /nfs/dbraw/zinc/17/25/20/177172520.db2.gz AWBFSXOLKBUJAP-IUCAKERBSA-N 0 0 221.260 2.225 20 5 BEBDRN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000267693249 177228443 /nfs/dbraw/zinc/22/84/43/177228443.db2.gz FZQDNXAHKJQDCS-UWVGGRQHSA-N 0 0 248.282 2.323 20 5 BEBDRN C[C@@H]1C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000336462108 177320091 /nfs/dbraw/zinc/32/00/91/177320091.db2.gz GADBDTVPFVEPDN-KNVOCYPGSA-N 0 0 240.284 2.279 20 5 BEBDRN C[C@H]1C[C@@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000282238396 177345419 /nfs/dbraw/zinc/34/54/19/177345419.db2.gz PVZYQPWSWFULLA-JGVFFNPUSA-N 0 0 221.260 2.245 20 5 BEBDRN C[C@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000277037738 177345571 /nfs/dbraw/zinc/34/55/71/177345571.db2.gz FPJLSBJLPVYZSO-NKWVEPMBSA-N 0 0 239.250 2.384 20 5 BEBDRN C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000294178228 177429194 /nfs/dbraw/zinc/42/91/94/177429194.db2.gz JKVJGUNMTSMGIB-BDAKNGLRSA-N 0 0 249.270 2.467 20 5 BEBDRN Cc1c(C(=O)N2C[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000294174010 177564662 /nfs/dbraw/zinc/56/46/62/177564662.db2.gz PRVYUBQDKZAOQT-WPRPVWTQSA-N 0 0 248.282 2.384 20 5 BEBDRN CN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000491291463 225624099 /nfs/dbraw/zinc/62/40/99/225624099.db2.gz QCJJHXYGVOWRRF-WTKPLQERSA-N 0 0 246.266 2.229 20 5 BEBDRN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cn2)CS1 ZINC000397831751 262936737 /nfs/dbraw/zinc/93/67/37/262936737.db2.gz CZJOAXPBSIQBCQ-HTQZYQBOSA-N 0 0 239.300 2.296 20 5 BEBDRN CC(F)(F)CNc1ncc([N+](=O)[O-])s1 ZINC000306957501 323032916 /nfs/dbraw/zinc/03/29/16/323032916.db2.gz TYKUTWDJGHDDID-UHFFFAOYSA-N 0 0 223.204 2.118 20 5 BEBDRN CC(C)Oc1nc(N2CC=CC2)ccc1[N+](=O)[O-] ZINC000569707839 323038133 /nfs/dbraw/zinc/03/81/33/323038133.db2.gz CJCFVJSDDDLDCD-UHFFFAOYSA-N 0 0 249.270 2.153 20 5 BEBDRN O=[N+]([O-])c1ccccc1OC[C@H]1CCCOC1 ZINC000531876352 323118657 /nfs/dbraw/zinc/11/86/57/323118657.db2.gz IPUXXURREIPZJE-JTQLQIEISA-N 0 0 237.255 2.400 20 5 BEBDRN Nc1c([N+](=O)[O-])cnn1C/C=C/c1ccccc1 ZINC000152209057 323133493 /nfs/dbraw/zinc/13/34/93/323133493.db2.gz VUWZRGUGOUHUHQ-QPJJXVBHSA-N 0 0 244.254 2.087 20 5 BEBDRN CCN(CC)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000070248982 323181550 /nfs/dbraw/zinc/18/15/50/323181550.db2.gz FZAOQDLNBWABJD-UHFFFAOYSA-N 0 0 236.271 2.385 20 5 BEBDRN C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532137496 323206868 /nfs/dbraw/zinc/20/68/68/323206868.db2.gz UJGNCMBPKYHYRL-VIFPVBQESA-N 0 0 249.270 2.004 20 5 BEBDRN Cc1cc(CNc2nc(C)ccc2[N+](=O)[O-])no1 ZINC000162615436 323633130 /nfs/dbraw/zinc/63/31/30/323633130.db2.gz BQFNZZKJSPQLEA-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN C[C@H]1C[C@H]1c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000545065526 324030124 /nfs/dbraw/zinc/03/01/24/324030124.db2.gz PBLNMKLFQANYFE-NKWVEPMBSA-N 0 0 248.242 2.107 20 5 BEBDRN CCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129164231 324924536 /nfs/dbraw/zinc/92/45/36/324924536.db2.gz HCZZALNMOXWOGS-UHFFFAOYSA-N 0 0 242.662 2.340 20 5 BEBDRN O=C(NCc1cccc([N+](=O)[O-])c1)C1=CCCC1 ZINC000130379007 325046304 /nfs/dbraw/zinc/04/63/04/325046304.db2.gz ALOODBQCNPGNRK-UHFFFAOYSA-N 0 0 246.266 2.321 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC(C2CC2)C2CC2)nc1 ZINC000088460444 325658815 /nfs/dbraw/zinc/65/88/15/325658815.db2.gz FARRQJPAGJUKRM-UHFFFAOYSA-N 0 0 248.286 2.233 20 5 BEBDRN C[C@H]1C[C@H](C)N(c2ncc([N+](=O)[O-])s2)C1 ZINC000573055685 326426992 /nfs/dbraw/zinc/42/69/92/326426992.db2.gz HRAIDBQTZPSZRO-BQBZGAKWSA-N 0 0 227.289 2.286 20 5 BEBDRN Cc1ccnc(COc2ccccc2[N+](=O)[O-])n1 ZINC000339301659 488017725 /nfs/dbraw/zinc/01/77/25/488017725.db2.gz BZMHQCULOGGOTC-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCC1CCC1 ZINC000034653189 490221914 /nfs/dbraw/zinc/22/19/14/490221914.db2.gz JHGYENDEUANNGP-UHFFFAOYSA-N 0 0 207.233 2.202 20 5 BEBDRN C[C@@H](F)CCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000505569923 534280095 /nfs/dbraw/zinc/28/00/95/534280095.db2.gz CIVQQQHPWLBOBE-ZCFIWIBFSA-N 0 0 248.641 2.158 20 5 BEBDRN CCc1nn(C)c(NCC2(C)CC2)c1[N+](=O)[O-] ZINC000220036017 536180874 /nfs/dbraw/zinc/18/08/74/536180874.db2.gz ADHOMUJYYXQFOC-UHFFFAOYSA-N 0 0 238.291 2.103 20 5 BEBDRN CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000334544706 534763584 /nfs/dbraw/zinc/76/35/84/534763584.db2.gz NGISYHWRRVYKSH-GFCCVEGCSA-N 0 0 248.282 2.321 20 5 BEBDRN O=[N+]([O-])c1ccc(SCCCCCO)nc1 ZINC000305223388 534882933 /nfs/dbraw/zinc/88/29/33/534882933.db2.gz UTXRXUJKIUAUIR-UHFFFAOYSA-N 0 0 242.300 2.245 20 5 BEBDRN CC1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000492732932 528271427 /nfs/dbraw/zinc/27/14/27/528271427.db2.gz GCUYZPTWQZIYPG-SREVYHEPSA-N 0 0 246.266 2.086 20 5 BEBDRN CO[C@@H](C)COc1c(Cl)cncc1[N+](=O)[O-] ZINC000349920752 536878131 /nfs/dbraw/zinc/87/81/31/536878131.db2.gz JQEBRIQMPGRRHF-LURJTMIESA-N 0 0 246.650 2.057 20 5 BEBDRN CC[C@H](C)N(C)c1ncc([N+](=O)[O-])s1 ZINC000192485800 566441044 /nfs/dbraw/zinc/44/10/44/566441044.db2.gz RJWLCKNYOJCOPF-LURJTMIESA-N 0 0 215.278 2.286 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NCC1(C)CC1 ZINC000892797023 582984053 /nfs/dbraw/zinc/98/40/53/582984053.db2.gz WEYCBZOBBMMRLO-UHFFFAOYSA-N 0 0 237.259 2.210 20 5 BEBDRN CCON(C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000853509865 588747042 /nfs/dbraw/zinc/74/70/42/588747042.db2.gz DYLNUSNHJSWPNZ-UHFFFAOYSA-N 0 0 231.639 2.031 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000853649757 588752268 /nfs/dbraw/zinc/75/22/68/588752268.db2.gz CMEAEAYOFLCWHS-DTWKUNHWSA-N 0 0 246.270 2.087 20 5 BEBDRN CC1=NO[C@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000853660818 588753651 /nfs/dbraw/zinc/75/36/51/588753651.db2.gz KWEBDKLGBKVPSM-JTQLQIEISA-N 0 0 249.270 2.480 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2C=CCC2)c(F)c1 ZINC000853800146 588764204 /nfs/dbraw/zinc/76/42/04/588764204.db2.gz OKVASMKCCMXFCS-SSDOTTSWSA-N 0 0 223.207 2.259 20 5 BEBDRN CCC1(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000854497666 588789521 /nfs/dbraw/zinc/78/95/21/588789521.db2.gz UOYCJJAJSQVNQR-UHFFFAOYSA-N 0 0 249.270 2.306 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]2C[C@@H]21 ZINC000804688091 582526496 /nfs/dbraw/zinc/52/64/96/582526496.db2.gz GYYKHNVEDUEXAF-SVRRBLITSA-N 0 0 239.662 2.242 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(N2CC[C@H]3C[C@H]32)c(F)c1 ZINC000804689957 582527355 /nfs/dbraw/zinc/52/73/55/582527355.db2.gz VPCWSLJXFDCQGW-QUBYGPBYSA-N 0 0 240.209 2.472 20 5 BEBDRN Cc1ccc(C)c(C(=O)OCCC[N+](=O)[O-])c1 ZINC000860910699 582553023 /nfs/dbraw/zinc/55/30/23/582553023.db2.gz ACFVUBZLIUQXJI-UHFFFAOYSA-N 0 0 237.255 2.127 20 5 BEBDRN C[C@@H]1C[C@@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812814860 582567733 /nfs/dbraw/zinc/56/77/33/582567733.db2.gz RDUOPHNBBHEURQ-SFYZADRCSA-N 0 0 239.275 2.181 20 5 BEBDRN C[C@H](COC(=O)[C@H]1CCCC1(C)C)[N+](=O)[O-] ZINC000813113816 582590856 /nfs/dbraw/zinc/59/08/56/582590856.db2.gz JKSMTCFRYIAMHC-RKDXNWHRSA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000855856925 588851469 /nfs/dbraw/zinc/85/14/69/588851469.db2.gz CNHYFGFJVYPYFW-JTQLQIEISA-N 0 0 242.319 2.127 20 5 BEBDRN CCC(=O)Oc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000849384118 582850321 /nfs/dbraw/zinc/85/03/21/582850321.db2.gz PAJCSKHGHWVLHQ-UHFFFAOYSA-N 0 0 237.211 2.113 20 5 BEBDRN C[C@H]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000725789759 582853658 /nfs/dbraw/zinc/85/36/58/582853658.db2.gz IKDCKFUSGPXWJI-VIFPVBQESA-N 0 0 246.270 2.089 20 5 BEBDRN CC[C@@H](C)CSc1c([N+](=O)[O-])cnn1C ZINC000892884108 583004542 /nfs/dbraw/zinc/00/45/42/583004542.db2.gz TUBJISBTXSSVHX-SSDOTTSWSA-N 0 0 229.305 2.467 20 5 BEBDRN CC[C@@H]1CCC[C@@]1(C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000893048764 583038063 /nfs/dbraw/zinc/03/80/63/583038063.db2.gz YCVGJCXONVMFCD-CKYFFXLPSA-N 0 0 243.303 2.411 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1N[C@H]1CC1(C)C ZINC000894192480 583333316 /nfs/dbraw/zinc/33/33/16/583333316.db2.gz LWIGLVUSHFMKKQ-VIFPVBQESA-N 0 0 237.259 2.209 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000814039668 583337725 /nfs/dbraw/zinc/33/77/25/583337725.db2.gz VISMNIQWMJETFJ-AXFHLTTASA-N 0 0 243.303 2.411 20 5 BEBDRN C=C/C=C/CCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000877888805 583351955 /nfs/dbraw/zinc/35/19/55/583351955.db2.gz OEHWGWDXTMTJCQ-SNAWJCMRSA-N 0 0 234.255 2.197 20 5 BEBDRN C=C/C=C/CCn1cc([N+](=O)[O-])cc(C)c1=O ZINC000877879983 583352328 /nfs/dbraw/zinc/35/23/28/583352328.db2.gz XUZPVNCYWLWBFT-SNAWJCMRSA-N 0 0 234.255 2.197 20 5 BEBDRN CCN(CC[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000791052133 583384428 /nfs/dbraw/zinc/38/44/28/583384428.db2.gz LWAASHDEVPZKPS-JTQLQIEISA-N 0 0 238.287 2.052 20 5 BEBDRN O=C(OCCCC1CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840671402 583407134 /nfs/dbraw/zinc/40/71/34/583407134.db2.gz UIOAFEDBSFLAQC-GHMZBOCLSA-N 0 0 241.287 2.165 20 5 BEBDRN O=C(OCC1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840672586 583414371 /nfs/dbraw/zinc/41/43/71/583414371.db2.gz BWDAOELCDMDIRD-GHMZBOCLSA-N 0 0 241.287 2.165 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1N[C@@H]1CC12CCC2 ZINC000895090775 583587078 /nfs/dbraw/zinc/58/70/78/583587078.db2.gz PFYHQWKIRJEVPN-SNVBAGLBSA-N 0 0 249.270 2.353 20 5 BEBDRN Cc1nnc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000895667649 583705685 /nfs/dbraw/zinc/70/56/85/583705685.db2.gz RTEFUWJJTUSLQQ-SSDOTTSWSA-N 0 0 248.242 2.459 20 5 BEBDRN C[C@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000895906032 583744466 /nfs/dbraw/zinc/74/44/66/583744466.db2.gz URVDDFLPLIXSLE-NKWVEPMBSA-N 0 0 228.273 2.103 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NC(C)(C)/C=C/Cl ZINC000895915940 583746100 /nfs/dbraw/zinc/74/61/00/583746100.db2.gz PUKSGLYBFZUXSD-SNAWJCMRSA-N 0 0 244.682 2.271 20 5 BEBDRN C[C@H]1C(=O)CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000896337221 583792538 /nfs/dbraw/zinc/79/25/38/583792538.db2.gz QWLWXUZWWWQMHK-VIFPVBQESA-N 0 0 234.255 2.153 20 5 BEBDRN C[C@H]1CCC(=O)CN1c1ccc([N+](=O)[O-])cc1 ZINC000896344757 583795446 /nfs/dbraw/zinc/79/54/46/583795446.db2.gz ODEZBWQJJQTQOO-VIFPVBQESA-N 0 0 234.255 2.153 20 5 BEBDRN O=[N+]([O-])c1ccsc1SC1COC1 ZINC000896961283 583865388 /nfs/dbraw/zinc/86/53/88/583865388.db2.gz XBMXWEZHKHLRMG-UHFFFAOYSA-N 0 0 217.271 2.147 20 5 BEBDRN C[C@@H]1C[C@H]1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000729093928 583956840 /nfs/dbraw/zinc/95/68/40/583956840.db2.gz XYIXSKZQJSDGJJ-RQJHMYQMSA-N 0 0 241.268 2.469 20 5 BEBDRN O=[N+]([O-])c1c2ccncc2ccc1N1CCCO1 ZINC000858477662 588958748 /nfs/dbraw/zinc/95/87/48/588958748.db2.gz KRAYYEFBFQUBAM-UHFFFAOYSA-N 0 0 245.238 2.285 20 5 BEBDRN O=[N+]([O-])c1cc(CNC/C=C\Cl)cs1 ZINC000898435591 584136167 /nfs/dbraw/zinc/13/61/67/584136167.db2.gz JOMSPTBOMBSVPC-UPHRSURJSA-N 0 0 232.692 2.498 20 5 BEBDRN CCCOc1ccc(OCC[N+](=O)[O-])cc1 ZINC000899231605 584183036 /nfs/dbraw/zinc/18/30/36/584183036.db2.gz SKQNICXSEAXWGC-UHFFFAOYSA-N 0 0 225.244 2.131 20 5 BEBDRN Cc1ccc(Cl)cc1OCC[N+](=O)[O-] ZINC000899230872 584183066 /nfs/dbraw/zinc/18/30/66/584183066.db2.gz MQKVHJBWTLLNFZ-UHFFFAOYSA-N 0 0 215.636 2.304 20 5 BEBDRN CCc1nc2ccccc2cc1OCC[N+](=O)[O-] ZINC000899894162 584248004 /nfs/dbraw/zinc/24/80/04/584248004.db2.gz SYNPIQXNYRHVKX-UHFFFAOYSA-N 0 0 246.266 2.453 20 5 BEBDRN O=[N+]([O-])CCSC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000901583789 584467272 /nfs/dbraw/zinc/46/72/72/584467272.db2.gz WGTIQKGDLZLLRO-KXUCPTDWSA-N 0 0 215.318 2.433 20 5 BEBDRN O=[N+]([O-])c1cccc(OC[C@@H]2C[C@@]23CCOC3)c1 ZINC000902120348 584528577 /nfs/dbraw/zinc/52/85/77/584528577.db2.gz RZNZURNICUUQEW-GXFFZTMASA-N 0 0 249.266 2.400 20 5 BEBDRN CO[C@H](C)CSCc1cccnc1[N+](=O)[O-] ZINC000902359412 584571517 /nfs/dbraw/zinc/57/15/17/584571517.db2.gz NSQFROVPTBDAIN-MRVPVSSYSA-N 0 0 242.300 2.258 20 5 BEBDRN Cc1cn(Cc2cc(C)cc(C)n2)nc1[N+](=O)[O-] ZINC000902738901 584663146 /nfs/dbraw/zinc/66/31/46/584663146.db2.gz NTDXPMPHDRVJEA-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC(F)F ZINC000733404451 584947949 /nfs/dbraw/zinc/94/79/49/584947949.db2.gz SYZZZSFQXARWME-UHFFFAOYSA-N 0 0 245.181 2.325 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1CC(C(C)(C)C)C1 ZINC000838969837 585082913 /nfs/dbraw/zinc/08/29/13/585082913.db2.gz GHKSWYQPGKMTRW-XNWIYYODSA-N 0 0 243.303 2.267 20 5 BEBDRN O=C(OCCCF)c1csc([N+](=O)[O-])c1 ZINC000741448576 585114167 /nfs/dbraw/zinc/11/41/67/585114167.db2.gz MUVQZDKQTPTCRN-UHFFFAOYSA-N 0 0 233.220 2.173 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCCCF)c1 ZINC000744183915 585145621 /nfs/dbraw/zinc/14/56/21/585145621.db2.gz ZHNOYAITCXZDAC-UHFFFAOYSA-N 0 0 241.218 2.420 20 5 BEBDRN CCC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000748108134 585187208 /nfs/dbraw/zinc/18/72/08/585187208.db2.gz CJCTVTFNLWFRDU-QMMMGPOBSA-N 0 0 240.259 2.279 20 5 BEBDRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000749951676 585208942 /nfs/dbraw/zinc/20/89/42/585208942.db2.gz USWMMHMVHKKIJY-UHFFFAOYSA-N 0 0 246.222 2.280 20 5 BEBDRN O=C(OCC1CC=CC1)c1ccc([N+](=O)[O-])o1 ZINC000750379685 585213950 /nfs/dbraw/zinc/21/39/50/585213950.db2.gz ICWAVSKXBBWWHH-UHFFFAOYSA-N 0 0 237.211 2.311 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000753773338 585268912 /nfs/dbraw/zinc/26/89/12/585268912.db2.gz YZEOGNFCPRAJCE-PSASIEDQSA-N 0 0 235.239 2.294 20 5 BEBDRN CC[C@@H](C)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000756338158 585318064 /nfs/dbraw/zinc/31/80/64/585318064.db2.gz VYJJVUDWCPOYPX-SSDOTTSWSA-N 0 0 227.216 2.391 20 5 BEBDRN O=C(OCCCF)c1ccc(F)cc1[N+](=O)[O-] ZINC000757897416 585346244 /nfs/dbraw/zinc/34/62/44/585346244.db2.gz ISIZELCNWMWXSL-UHFFFAOYSA-N 0 0 245.181 2.250 20 5 BEBDRN CCOCOc1cccc([N+](=O)[O-])c1C ZINC000758392006 585355679 /nfs/dbraw/zinc/35/56/79/585355679.db2.gz LTPAAFIAPWEAKT-UHFFFAOYSA-N 0 0 211.217 2.276 20 5 BEBDRN CSCC(=O)Oc1c(C)cccc1[N+](=O)[O-] ZINC000760015830 585384199 /nfs/dbraw/zinc/38/41/99/585384199.db2.gz IQQWQEUGWJIRSS-UHFFFAOYSA-N 0 0 241.268 2.172 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)[C@@H]1C[C@@H]1C ZINC000760021933 585384525 /nfs/dbraw/zinc/38/45/25/585384525.db2.gz GPUMNSCWPCSTCZ-DTWKUNHWSA-N 0 0 235.239 2.465 20 5 BEBDRN C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760274156 585388552 /nfs/dbraw/zinc/38/85/52/585388552.db2.gz SSTOYNZDZGUGDS-QMMMGPOBSA-N 0 0 232.243 2.491 20 5 BEBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc[nH]1 ZINC000760408722 585391939 /nfs/dbraw/zinc/39/19/39/585391939.db2.gz FQFIROCHFDMCIW-ZETCQYMHSA-N 0 0 249.226 2.007 20 5 BEBDRN O=[N+]([O-])c1cc(CN2CC[C@@H]3C[C@@H]32)cs1 ZINC000761083451 585407165 /nfs/dbraw/zinc/40/71/65/585407165.db2.gz JMYGXQTUFBXTGM-BDAKNGLRSA-N 0 0 224.285 2.251 20 5 BEBDRN CCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000761985275 585423610 /nfs/dbraw/zinc/42/36/10/585423610.db2.gz ISRZKEVUSZVMLN-MRVPVSSYSA-N 0 0 238.243 2.335 20 5 BEBDRN CCCCCOC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000761978318 585423632 /nfs/dbraw/zinc/42/36/32/585423632.db2.gz AVYTVQHPSCLYOC-UHFFFAOYSA-N 0 0 238.243 2.337 20 5 BEBDRN O=C(Cc1ccco1)Oc1cccc([N+](=O)[O-])c1 ZINC000764620511 585469268 /nfs/dbraw/zinc/46/92/68/585469268.db2.gz NWTBPUFDFFCHCB-UHFFFAOYSA-N 0 0 247.206 2.336 20 5 BEBDRN O=c1c([N+](=O)[O-])cc(Cl)cn1C/C=C\Cl ZINC000767210523 585515538 /nfs/dbraw/zinc/51/55/38/585515538.db2.gz YIQXOAISABULDA-UPHRSURJSA-N 0 0 249.053 2.162 20 5 BEBDRN O=C(OCCCF)c1ccc([N+](=O)[O-])c(F)c1 ZINC000767328511 585516799 /nfs/dbraw/zinc/51/67/99/585516799.db2.gz HHIZSQQSIOKKLW-UHFFFAOYSA-N 0 0 245.181 2.250 20 5 BEBDRN O=[N+]([O-])CCSCc1cccc(F)c1F ZINC000775193078 585673317 /nfs/dbraw/zinc/67/33/17/585673317.db2.gz KDOXZBWCZBVCNK-UHFFFAOYSA-N 0 0 233.239 2.475 20 5 BEBDRN COC1(C)CN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000776818065 585705845 /nfs/dbraw/zinc/70/58/45/585705845.db2.gz XGSJGMITTITBNH-UHFFFAOYSA-N 0 0 236.271 2.128 20 5 BEBDRN O=C(O[C@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000780552854 585780608 /nfs/dbraw/zinc/78/06/08/585780608.db2.gz RVRYFBWAIIEJRY-NSHDSACASA-N 0 0 233.223 2.470 20 5 BEBDRN Cc1cc(C(=O)OC2CC2)ccc1[N+](=O)[O-] ZINC000783181604 585829017 /nfs/dbraw/zinc/82/90/17/585829017.db2.gz HLMZLSBBUZSXCI-UHFFFAOYSA-N 0 0 221.212 2.222 20 5 BEBDRN CC(C)=CCOC(=O)c1ccc([N+](=O)[O-])n1C ZINC000805760767 585859240 /nfs/dbraw/zinc/85/92/40/585859240.db2.gz PLHFDBBIRDNWJG-UHFFFAOYSA-N 0 0 238.243 2.056 20 5 BEBDRN C/C(=C\C(=O)N1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000785064446 585870168 /nfs/dbraw/zinc/87/01/68/585870168.db2.gz SCFBXGBQSLXNEG-MDZDMXLPSA-N 0 0 246.266 2.230 20 5 BEBDRN CC(=O)CS/C=C/c1ccc([N+](=O)[O-])o1 ZINC000789922170 585952984 /nfs/dbraw/zinc/95/29/84/585952984.db2.gz PBFBARUCNCAPCK-SNAWJCMRSA-N 0 0 227.241 2.481 20 5 BEBDRN O=C(OCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000790090972 585958158 /nfs/dbraw/zinc/95/81/58/585958158.db2.gz HGUXBCSLKAZJSH-UHFFFAOYSA-N 0 0 235.239 2.438 20 5 BEBDRN O=C(OCC1=CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000790825567 585969818 /nfs/dbraw/zinc/96/98/18/585969818.db2.gz HKVDBIKTVQKDCH-UHFFFAOYSA-N 0 0 248.238 2.257 20 5 BEBDRN Cc1cccc([C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])c1 ZINC000791052956 585972869 /nfs/dbraw/zinc/97/28/69/585972869.db2.gz PZDWWFWURMTIRO-ZDUSSCGKSA-N 0 0 234.299 2.409 20 5 BEBDRN CCN(CC[N+](=O)[O-])Cc1ccccc1Cl ZINC000791054803 585973002 /nfs/dbraw/zinc/97/30/02/585973002.db2.gz YDUPFHKEFYTLNZ-UHFFFAOYSA-N 0 0 242.706 2.439 20 5 BEBDRN CCSCOc1ncc(C)cc1[N+](=O)[O-] ZINC000791430523 585981368 /nfs/dbraw/zinc/98/13/68/585981368.db2.gz BPWGVZRRMGXDMY-UHFFFAOYSA-N 0 0 228.273 2.388 20 5 BEBDRN CC1(F)CN(c2ccc([N+](=O)[O-])cc2F)C1 ZINC000795196546 586071330 /nfs/dbraw/zinc/07/13/30/586071330.db2.gz WKYWKSGIRGPBLX-UHFFFAOYSA-N 0 0 228.198 2.282 20 5 BEBDRN C[C@@H](COC(=O)CC1CC(C)(C)C1)[N+](=O)[O-] ZINC000797281116 586125011 /nfs/dbraw/zinc/12/50/11/586125011.db2.gz QJIHSUAYZSZJPG-QMMMGPOBSA-N 0 0 229.276 2.021 20 5 BEBDRN CCC[C@H](C(=O)OCCC[N+](=O)[O-])C(C)C ZINC000860917871 589132035 /nfs/dbraw/zinc/13/20/35/589132035.db2.gz UZHBYWYDLYWUDF-JTQLQIEISA-N 0 0 231.292 2.269 20 5 BEBDRN O=C1OCC[C@@H]1Sc1cccc([N+](=O)[O-])c1 ZINC000800838246 586233517 /nfs/dbraw/zinc/23/35/17/586233517.db2.gz ZDRAICTXLDJAQO-VIFPVBQESA-N 0 0 239.252 2.002 20 5 BEBDRN CC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000802651357 586308132 /nfs/dbraw/zinc/30/81/32/586308132.db2.gz NIFCJEBSTZOLDL-UHFFFAOYSA-N 0 0 206.245 2.047 20 5 BEBDRN C/C=C/C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000804177987 586385092 /nfs/dbraw/zinc/38/50/92/586385092.db2.gz YMBQJRXPJMUQJI-ZZXKWVIFSA-N 0 0 248.282 2.172 20 5 BEBDRN Cc1cnc(CNc2ccc(N)cc2[N+](=O)[O-])o1 ZINC000804524984 586398421 /nfs/dbraw/zinc/39/84/21/586398421.db2.gz HVAVNJQRZSSCFF-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN CC(C)Cc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812813018 586587329 /nfs/dbraw/zinc/58/73/29/586587329.db2.gz CDPGLMUEGATWTD-UHFFFAOYSA-N 0 0 241.291 2.256 20 5 BEBDRN CC(C)(CCc1noc(C2CCC2)n1)[N+](=O)[O-] ZINC000812814934 586587356 /nfs/dbraw/zinc/58/73/56/586587356.db2.gz AOOIPDVMGWPSGK-UHFFFAOYSA-N 0 0 239.275 2.325 20 5 BEBDRN CCC(CC)CC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813102782 586592036 /nfs/dbraw/zinc/59/20/36/586592036.db2.gz VMGRMVVCLBCOJO-MRVPVSSYSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@@H](C(=O)OC[C@H](C)[N+](=O)[O-])c1ccsc1 ZINC000813102625 586592205 /nfs/dbraw/zinc/59/22/05/586592205.db2.gz UCCLKQHVZGFPFX-JGVFFNPUSA-N 0 0 243.284 2.060 20 5 BEBDRN C[C@H](COC(=O)C[C@H]1CCC[C@H]1C)[N+](=O)[O-] ZINC000813103564 586592247 /nfs/dbraw/zinc/59/22/47/586592247.db2.gz QLSCIIDBZVIOCV-OPRDCNLKSA-N 0 0 229.276 2.021 20 5 BEBDRN CCCC[C@@H](CC)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813105095 586592387 /nfs/dbraw/zinc/59/23/87/586592387.db2.gz JNTYPZWUCGODCR-VHSXEESVSA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@@H](COC(=O)C[C@@H]1CCC[C@H]1C)[N+](=O)[O-] ZINC000813103565 586592457 /nfs/dbraw/zinc/59/24/57/586592457.db2.gz QLSCIIDBZVIOCV-UTLUCORTSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](COC(=O)c1cc2ccccc2o1)[N+](=O)[O-] ZINC000813103942 586592521 /nfs/dbraw/zinc/59/25/21/586592521.db2.gz VBNKOQCBHOTQKY-QMMMGPOBSA-N 0 0 249.222 2.255 20 5 BEBDRN CCC[C@@H](C(=O)OC[C@@H](C)[N+](=O)[O-])C(C)C ZINC000813106594 586592771 /nfs/dbraw/zinc/59/27/71/586592771.db2.gz FQRVGLBAXGUNGE-NXEZZACHSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@H](COC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)[N+](=O)[O-] ZINC000813106298 586592905 /nfs/dbraw/zinc/59/29/05/586592905.db2.gz ADCUAJOKDHPFGJ-YTWAJWBKSA-N 0 0 243.303 2.267 20 5 BEBDRN C/C(=C\C(=O)OC[C@H](C)[N+](=O)[O-])c1ccccc1 ZINC000813112742 586593908 /nfs/dbraw/zinc/59/39/08/586593908.db2.gz KGQQQVISPOITBL-UQSGXBNBSA-N 0 0 249.266 2.298 20 5 BEBDRN CCCC(C)(C)CC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813114414 586594165 /nfs/dbraw/zinc/59/41/65/586594165.db2.gz RECJFJQZVLTTTQ-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000814039965 586611697 /nfs/dbraw/zinc/61/16/97/586611697.db2.gz ZJAVSNGPABQTKQ-UTLUCORTSA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@@H]1CCCC[C@@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814037015 586611752 /nfs/dbraw/zinc/61/17/52/586611752.db2.gz PGQFQXBTPHLMDW-AXFHLTTASA-N 0 0 243.303 2.411 20 5 BEBDRN CCC(CC)CC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814035878 586611965 /nfs/dbraw/zinc/61/19/65/586611965.db2.gz QJCLVPFGARFKMN-MRVPVSSYSA-N 0 0 217.265 2.021 20 5 BEBDRN CCC[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])C(C)C ZINC000814037801 586612150 /nfs/dbraw/zinc/61/21/50/586612150.db2.gz GSBNMALKYZKGTC-VHSXEESVSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000814039428 586612374 /nfs/dbraw/zinc/61/23/74/586612374.db2.gz PHKFBJMPEXLEFE-VHSXEESVSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000814040608 586612418 /nfs/dbraw/zinc/61/24/18/586612418.db2.gz IDUMIDNEQBEEML-BBBLOLIVSA-N 0 0 243.303 2.267 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000814040610 586612450 /nfs/dbraw/zinc/61/24/50/586612450.db2.gz IDUMIDNEQBEEML-YTWAJWBKSA-N 0 0 243.303 2.267 20 5 BEBDRN CC(C)C[C@@H](C)CC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814040467 586612469 /nfs/dbraw/zinc/61/24/69/586612469.db2.gz HATPORHZCVBOOA-NXEZZACHSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CCCC(C)(C)C ZINC000814042943 586612554 /nfs/dbraw/zinc/61/25/54/586612554.db2.gz QYNAYRMDNVVTBJ-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)CCCC(C)(C)C ZINC000814042942 586612559 /nfs/dbraw/zinc/61/25/59/586612559.db2.gz QYNAYRMDNVVTBJ-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@H]1CC[C@H](C(=O)O[C@H](C)C[N+](=O)[O-])CC1 ZINC000814046494 586612614 /nfs/dbraw/zinc/61/26/14/586612614.db2.gz LRIHMGGKFDQXSW-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)/C=C\C1CCCCC1 ZINC000814044966 586612727 /nfs/dbraw/zinc/61/27/27/586612727.db2.gz WMJWCIUBVIMMPO-DMEOUFDRSA-N 0 0 241.287 2.331 20 5 BEBDRN CCC[C@](C)(CC)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814045938 586612894 /nfs/dbraw/zinc/61/28/94/586612894.db2.gz CYLCIDLGOQXMAE-ONGXEEELSA-N 0 0 231.292 2.411 20 5 BEBDRN CCCCCCC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814047747 586612997 /nfs/dbraw/zinc/61/29/97/586612997.db2.gz XFGWRKWBWQZMLA-VIFPVBQESA-N 0 0 217.265 2.165 20 5 BEBDRN C/C(=C\C(C)(C)C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814048636 586613097 /nfs/dbraw/zinc/61/30/97/586613097.db2.gz LXVGQWIORNXKTE-BNICOGTQSA-N 0 0 229.276 2.187 20 5 BEBDRN CC[C@@H](CC(=O)O[C@@H](C)C[N+](=O)[O-])C(C)C ZINC000814048314 586613268 /nfs/dbraw/zinc/61/32/68/586613268.db2.gz SDFIJLOCFKTKTM-UWVGGRQHSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C(C)(C)C(C)(C)C ZINC000816097324 586707664 /nfs/dbraw/zinc/70/76/64/586707664.db2.gz ZMFHGQPBBHYBOK-QMMMGPOBSA-N 0 0 231.292 2.267 20 5 BEBDRN C=C=CCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000816700873 586758997 /nfs/dbraw/zinc/75/89/97/586758997.db2.gz WNMABHOEEIIQMS-UHFFFAOYSA-N 0 0 238.268 2.036 20 5 BEBDRN O=C(Oc1cccc([N+](=O)[O-])c1)[C@@H]1CC12CC2 ZINC000817421520 586803495 /nfs/dbraw/zinc/80/34/95/586803495.db2.gz DXFQBOAIQRAJFY-JTQLQIEISA-N 0 0 233.223 2.300 20 5 BEBDRN C[C@H]1CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000822134360 587155723 /nfs/dbraw/zinc/15/57/23/587155723.db2.gz MFTYIVCKMCJWIS-JTQLQIEISA-N 0 0 242.319 2.080 20 5 BEBDRN CC(C)(CCC(=O)OC[C@@]1(C)C[C@@H]1F)[N+](=O)[O-] ZINC000822149610 587156480 /nfs/dbraw/zinc/15/64/80/587156480.db2.gz FEYFIHGJVAPWLP-GZMMTYOYSA-N 0 0 247.266 2.113 20 5 BEBDRN CCC(C)(C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822368318 587164314 /nfs/dbraw/zinc/16/43/14/587164314.db2.gz VGTDKSQIJQNVEZ-UHFFFAOYSA-N 0 0 230.308 2.127 20 5 BEBDRN CCCCN(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822371869 587164642 /nfs/dbraw/zinc/16/46/42/587164642.db2.gz MDLFUGJEFFZKQE-UHFFFAOYSA-N 0 0 230.308 2.080 20 5 BEBDRN Cc1ccc(CNC(=O)C2(C)CC2)cc1[N+](=O)[O-] ZINC000825647060 587329073 /nfs/dbraw/zinc/32/90/73/587329073.db2.gz CFJZSBKOXITFJL-UHFFFAOYSA-N 0 0 248.282 2.320 20 5 BEBDRN CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CCC1 ZINC000825984751 587347749 /nfs/dbraw/zinc/34/77/49/587347749.db2.gz KPGHCTFWUZUWMK-UHFFFAOYSA-N 0 0 242.319 2.223 20 5 BEBDRN CC(C)(CCC(=O)NCC1(C)CCC1)[N+](=O)[O-] ZINC000826714399 587359848 /nfs/dbraw/zinc/35/98/48/587359848.db2.gz NDLIFMOHBCUWKE-UHFFFAOYSA-N 0 0 242.319 2.128 20 5 BEBDRN CC[C@@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826813488 587363192 /nfs/dbraw/zinc/36/31/92/587363192.db2.gz VZTLWJKOHHMQKA-SNVBAGLBSA-N 0 0 242.319 2.080 20 5 BEBDRN CC[C@H](C)N(OC)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827051038 587369001 /nfs/dbraw/zinc/36/90/01/587369001.db2.gz YYKLRACXQZBLGA-VIFPVBQESA-N 0 0 246.307 2.010 20 5 BEBDRN CCCCCCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829847966 587523312 /nfs/dbraw/zinc/52/33/12/587523312.db2.gz NUOPUIXGOMTUPU-UHFFFAOYSA-N 0 0 242.235 2.280 20 5 BEBDRN O=C(OCc1csc([N+](=O)[O-])c1)C1(F)CC1 ZINC000830764807 587569047 /nfs/dbraw/zinc/56/90/47/587569047.db2.gz MCFUGDJUEMWQCX-UHFFFAOYSA-N 0 0 245.231 2.202 20 5 BEBDRN CC(C)c1noc(CCC(C)(C)[N+](=O)[O-])n1 ZINC000834459641 587755543 /nfs/dbraw/zinc/75/55/43/587755543.db2.gz JQMFYUFNGSJUJU-UHFFFAOYSA-N 0 0 227.264 2.181 20 5 BEBDRN C=Cc1ccc(C(=O)OC[C@H](C)[N+](=O)[O-])cc1 ZINC000835453573 587802744 /nfs/dbraw/zinc/80/27/44/587802744.db2.gz CZCKPXZZYNVSNG-VIFPVBQESA-N 0 0 235.239 2.152 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1(C2CCC2)CCC1 ZINC000835465162 587803732 /nfs/dbraw/zinc/80/37/32/587803732.db2.gz AFYUNHOPRDVFOO-SECBINFHSA-N 0 0 241.287 2.165 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000835466987 587803740 /nfs/dbraw/zinc/80/37/40/587803740.db2.gz MUTKDFZNTVZYBN-GWOFURMSSA-N 0 0 243.303 2.267 20 5 BEBDRN CCC(=O)OCc1ccc(C)c([N+](=O)[O-])c1 ZINC000835480536 587804521 /nfs/dbraw/zinc/80/45/21/587804521.db2.gz PHZQOTVBEULLQK-UHFFFAOYSA-N 0 0 223.228 2.356 20 5 BEBDRN COC1CC(Oc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000840827790 587923844 /nfs/dbraw/zinc/92/38/44/587923844.db2.gz MUJGWGKYIOKWPR-UHFFFAOYSA-N 0 0 241.218 2.290 20 5 BEBDRN Cc1cc(C)c(C)c(OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC000841015716 587935355 /nfs/dbraw/zinc/93/53/55/587935355.db2.gz KNLVYOSWNAVQQD-GHMZBOCLSA-N 0 0 249.266 2.182 20 5 BEBDRN C[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1C ZINC000841173408 587948418 /nfs/dbraw/zinc/94/84/18/587948418.db2.gz WLUYSTUHNJJLLA-QGKZMRNZSA-N 0 0 241.287 2.020 20 5 BEBDRN CC[C@H]1CCC[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842308087 588015659 /nfs/dbraw/zinc/01/56/59/588015659.db2.gz SWUSNDZLGXESIN-LNFKQOIKSA-N 0 0 241.287 2.164 20 5 BEBDRN CCS[C@H](C)c1noc([C@@H]2CC2[N+](=O)[O-])n1 ZINC000842494216 588030879 /nfs/dbraw/zinc/03/08/79/588030879.db2.gz IHYORXYTZFZWEX-FSDSQADBSA-N 0 0 243.288 2.016 20 5 BEBDRN CC1=C(C)C[C@H](C(=O)OC[C@@H](C)[N+](=O)[O-])CC1 ZINC000842801971 588064940 /nfs/dbraw/zinc/06/49/40/588064940.db2.gz OEJFELQLGCEVLV-GHMZBOCLSA-N 0 0 241.287 2.331 20 5 BEBDRN CC1=C(C)C[C@H](C(=O)O[C@H](C)C[N+](=O)[O-])CC1 ZINC000842805181 588065294 /nfs/dbraw/zinc/06/52/94/588065294.db2.gz BNXHKRUWKKYNSU-GHMZBOCLSA-N 0 0 241.287 2.331 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)C1(F)CC1 ZINC000843572454 588125272 /nfs/dbraw/zinc/12/52/72/588125272.db2.gz DOSBSSCZDPIXLZ-UHFFFAOYSA-N 0 0 239.202 2.311 20 5 BEBDRN CCCC(C)(C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000845576559 588233736 /nfs/dbraw/zinc/23/37/36/588233736.db2.gz MYDUILRBMBARBC-QMMMGPOBSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC000845578143 588233786 /nfs/dbraw/zinc/23/37/86/588233786.db2.gz WDDXRYHCUHIQDB-FBIMIBRVSA-N 0 0 241.287 2.021 20 5 BEBDRN CC(C)(CCC(=O)NC1(C)CC=CC1)[N+](=O)[O-] ZINC000847157297 588307825 /nfs/dbraw/zinc/30/78/25/588307825.db2.gz YLQHMBCYSROANI-UHFFFAOYSA-N 0 0 240.303 2.047 20 5 BEBDRN CCCCn1cc([N+](=O)[O-])nc1Br ZINC000849990755 588512746 /nfs/dbraw/zinc/51/27/46/588512746.db2.gz HJEYCGUQCVCEFJ-UHFFFAOYSA-N 0 0 248.080 2.354 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC2(CC2)C1 ZINC000851045576 588586499 /nfs/dbraw/zinc/58/64/99/588586499.db2.gz LIPKHWJOLZSCGP-ZJUUUORDSA-N 0 0 241.287 2.165 20 5 BEBDRN CC1=CC[C@@](C)(C(=O)O[C@@H](C)C[N+](=O)[O-])CC1 ZINC000851044070 588586578 /nfs/dbraw/zinc/58/65/78/588586578.db2.gz AUOPPZMDBVQZCV-CMPLNLGQSA-N 0 0 241.287 2.331 20 5 BEBDRN CCCC1(C(=O)OCC(C)(C)[N+](=O)[O-])CC1 ZINC000851125374 588592489 /nfs/dbraw/zinc/59/24/89/588592489.db2.gz CHBTXYZCBHGREK-UHFFFAOYSA-N 0 0 229.276 2.165 20 5 BEBDRN C[C@H]1CC/C(=C\C(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851125441 588592499 /nfs/dbraw/zinc/59/24/99/588592499.db2.gz DICQYFLFTRDQGM-HZAKCSEPSA-N 0 0 241.287 2.331 20 5 BEBDRN CC(C)(COC(=O)C1(C)CCCC1)[N+](=O)[O-] ZINC000851126814 588592633 /nfs/dbraw/zinc/59/26/33/588592633.db2.gz ROSUWTLJHRJAMS-UHFFFAOYSA-N 0 0 229.276 2.165 20 5 BEBDRN CCC[C@H](C)CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127062 588592783 /nfs/dbraw/zinc/59/27/83/588592783.db2.gz YQECVWFQPHYSRA-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@@H]1CCC[C@@H]1CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128330 588592995 /nfs/dbraw/zinc/59/29/95/588592995.db2.gz RHLPDEGXVKYLHL-NXEZZACHSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)(COC(=O)CCCC1CC1)[N+](=O)[O-] ZINC000851129351 588593016 /nfs/dbraw/zinc/59/30/16/588593016.db2.gz KNJRUFKXPXNRDU-UHFFFAOYSA-N 0 0 229.276 2.165 20 5 BEBDRN CC(C)(COC(=O)C(C)(C)C1CC1)[N+](=O)[O-] ZINC000851128727 588593125 /nfs/dbraw/zinc/59/31/25/588593125.db2.gz CXYXEUIFFMHIHI-UHFFFAOYSA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@H](C)CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128344 588593144 /nfs/dbraw/zinc/59/31/44/588593144.db2.gz RSYMEIMHTBICCR-QMMMGPOBSA-N 0 0 217.265 2.021 20 5 BEBDRN CC(C)(COC(=O)/C=C\C1CCCC1)[N+](=O)[O-] ZINC000851129933 588593570 /nfs/dbraw/zinc/59/35/70/588593570.db2.gz NBHFOBWGIZZCQG-FPLPWBNLSA-N 0 0 241.287 2.331 20 5 BEBDRN Cc1cc(C)cc(C(=O)OCCC[N+](=O)[O-])c1 ZINC000860910740 589130823 /nfs/dbraw/zinc/13/08/23/589130823.db2.gz BHMBZFHBLWDYIN-UHFFFAOYSA-N 0 0 237.255 2.127 20 5 BEBDRN C[C@H]1CCC[C@@H](C(=O)OCCC[N+](=O)[O-])C1 ZINC000860915307 589131310 /nfs/dbraw/zinc/13/13/10/589131310.db2.gz QSUQEYSLQWVGRP-VHSXEESVSA-N 0 0 229.276 2.023 20 5 BEBDRN CCC[C@H](C)CC(=O)OCCC[N+](=O)[O-] ZINC000860915493 589131518 /nfs/dbraw/zinc/13/15/18/589131518.db2.gz GKQHEEXCSNLNJK-VIFPVBQESA-N 0 0 217.265 2.023 20 5 BEBDRN CC1(C)CC(CC(=O)OCCC[N+](=O)[O-])C1 ZINC000860918413 589131781 /nfs/dbraw/zinc/13/17/81/589131781.db2.gz IXYWVMCYQWAMTK-UHFFFAOYSA-N 0 0 229.276 2.023 20 5 BEBDRN CC(C)CC(C)(C)C(=O)OCCC[N+](=O)[O-] ZINC000860917305 589131813 /nfs/dbraw/zinc/13/18/13/589131813.db2.gz IWAKSFWLLVFXFG-UHFFFAOYSA-N 0 0 231.292 2.269 20 5 BEBDRN C[C@@H]1CC[C@@H](C(=O)OCCC[N+](=O)[O-])C[C@@H]1C ZINC000860918260 589131975 /nfs/dbraw/zinc/13/19/75/589131975.db2.gz DNZLIWBLFPHYGL-OUAUKWLOSA-N 0 0 243.303 2.269 20 5 BEBDRN C/C(=C\C(=O)OCCC[N+](=O)[O-])C(C)(C)C ZINC000860918157 589132055 /nfs/dbraw/zinc/13/20/55/589132055.db2.gz ZEJOMNXQMIIAPL-CMDGGOBGSA-N 0 0 229.276 2.189 20 5 BEBDRN CC1(C)CC[C@@H](C(=O)OCCC[N+](=O)[O-])C1 ZINC000860919712 589132181 /nfs/dbraw/zinc/13/21/81/589132181.db2.gz MJOBNSSLCJHIOK-SECBINFHSA-N 0 0 229.276 2.023 20 5 BEBDRN C[C@@H]1CCC[C@@H]1CC(=O)OCCC[N+](=O)[O-] ZINC000860921094 589132427 /nfs/dbraw/zinc/13/24/27/589132427.db2.gz NCXXRBIGTLZMCK-NXEZZACHSA-N 0 0 229.276 2.023 20 5 BEBDRN C[C@@H]1CC(C(=O)OCCC[N+](=O)[O-])C[C@@H](C)C1 ZINC000860920070 589132439 /nfs/dbraw/zinc/13/24/39/589132439.db2.gz RDITURXXZDYJPS-UWVGGRQHSA-N 0 0 243.303 2.269 20 5 BEBDRN C[C@@H](CC(C)(C)C)C(=O)OCCC[N+](=O)[O-] ZINC000860921139 589132525 /nfs/dbraw/zinc/13/25/25/589132525.db2.gz NYNMGXBAHHEZKN-VIFPVBQESA-N 0 0 231.292 2.269 20 5 BEBDRN C[C@H]1C[C@H](C(=O)OCCC[N+](=O)[O-])C[C@@H](C)C1 ZINC000860920069 589132649 /nfs/dbraw/zinc/13/26/49/589132649.db2.gz RDITURXXZDYJPS-URLYPYJESA-N 0 0 243.303 2.269 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])[C@H]1CCCC2(CC2)C1 ZINC000860921925 589132822 /nfs/dbraw/zinc/13/28/22/589132822.db2.gz AWVBPASVUDEMHN-JTQLQIEISA-N 0 0 241.287 2.167 20 5 BEBDRN CC1=CC[C@](C)(C(=O)OCCC[N+](=O)[O-])CC1 ZINC000860922089 589132864 /nfs/dbraw/zinc/13/28/64/589132864.db2.gz HBWMGMNLZQXCAA-LBPRGKRZSA-N 0 0 241.287 2.333 20 5 BEBDRN CC1(C)CCCC[C@H]1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000861295384 589157927 /nfs/dbraw/zinc/15/79/27/589157927.db2.gz IKEGKKCQFLEVJZ-OPRDCNLKSA-N 0 0 241.287 2.164 20 5 BEBDRN O=[N+]([O-])c1cnn(CCC(F)(F)Cl)c1 ZINC000863281190 589275951 /nfs/dbraw/zinc/27/59/51/589275951.db2.gz BKMBSNQMTPXZLQ-UHFFFAOYSA-N 0 0 225.582 2.013 20 5 BEBDRN C[C@H]1CCCC[C@@H]1Cn1ncc([N+](=O)[O-])n1 ZINC000863371223 589284460 /nfs/dbraw/zinc/28/44/60/589284460.db2.gz KSQSKJLLKFUZPL-DTWKUNHWSA-N 0 0 224.264 2.013 20 5 BEBDRN CCCc1ccc(Cn2ncc([N+](=O)[O-])n2)cc1 ZINC000863374212 589284806 /nfs/dbraw/zinc/28/48/06/589284806.db2.gz NDXDOTNKSMAIEW-UHFFFAOYSA-N 0 0 246.270 2.187 20 5 BEBDRN CC1(C)CCC(Cn2ncc([N+](=O)[O-])n2)CC1 ZINC000863373841 589284985 /nfs/dbraw/zinc/28/49/85/589284985.db2.gz FBIHCTUFUXJYBC-UHFFFAOYSA-N 0 0 238.291 2.403 20 5 BEBDRN C[C@@H]1C[C@H]1COc1ccc(N)c([N+](=O)[O-])c1 ZINC000863456070 589289273 /nfs/dbraw/zinc/28/92/73/589289273.db2.gz FTBDAISQBHJZOJ-SFYZADRCSA-N 0 0 222.244 2.212 20 5 BEBDRN CCC(C)(C)c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642195 589386588 /nfs/dbraw/zinc/38/65/88/589386588.db2.gz KHHSEQPQGBKTRU-UHFFFAOYSA-N 0 0 240.307 2.021 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1CC1CC2(CCC2)C1 ZINC000865341191 589422391 /nfs/dbraw/zinc/42/23/91/589422391.db2.gz JATAPLMWOBNEKY-UHFFFAOYSA-N 0 0 248.282 2.337 20 5 BEBDRN Cc1nn(CCCC2CC2)cc1[N+](=O)[O-] ZINC000865368518 589427313 /nfs/dbraw/zinc/42/73/13/589427313.db2.gz VDZVZYYYOACIJL-UHFFFAOYSA-N 0 0 209.249 2.290 20 5 BEBDRN CC1=NO[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000865850760 589464951 /nfs/dbraw/zinc/46/49/51/589464951.db2.gz YGVDZIDCNZXPNE-SSDOTTSWSA-N 0 0 241.272 2.233 20 5 BEBDRN CCON(CC)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000866306373 589485274 /nfs/dbraw/zinc/48/52/74/589485274.db2.gz GNKGGNUUVSECAY-UHFFFAOYSA-N 0 0 245.666 2.421 20 5 BEBDRN CCON(CC)c1cc(C)c([N+](=O)[O-])cn1 ZINC000866306693 589485442 /nfs/dbraw/zinc/48/54/42/589485442.db2.gz KXUVWEUVPAYGEM-UHFFFAOYSA-N 0 0 225.248 2.076 20 5 BEBDRN CCc1ccc(OC(=O)OC)c([N+](=O)[O-])c1 ZINC000866798394 589518665 /nfs/dbraw/zinc/51/86/65/589518665.db2.gz ZBLOWNGKGRVKQM-UHFFFAOYSA-N 0 0 225.200 2.302 20 5 BEBDRN Cc1cc(C)c(C(=O)OC[C@@H](C)[N+](=O)[O-])s1 ZINC000870378459 589661369 /nfs/dbraw/zinc/66/13/69/589661369.db2.gz WZSHQUBPQZFKTR-SSDOTTSWSA-N 0 0 243.284 2.187 20 5 BEBDRN Cc1cc(C)c(C(=O)O[C@H](C)C[N+](=O)[O-])s1 ZINC000870386596 589662002 /nfs/dbraw/zinc/66/20/02/589662002.db2.gz GKWKFUVGVUTMND-SSDOTTSWSA-N 0 0 243.284 2.187 20 5 BEBDRN CO[C@H]1C[C@@H](COc2cccc([N+](=O)[O-])c2)C1 ZINC000871630569 589779208 /nfs/dbraw/zinc/77/92/08/589779208.db2.gz JTZVPHCXDMTWFH-WVSHTKLVSA-N 0 0 237.255 2.399 20 5 BEBDRN O=[N+]([O-])c1cn(C2CC(CF)(CF)C2)cn1 ZINC000871646195 589781596 /nfs/dbraw/zinc/78/15/96/589781596.db2.gz OQVOMFQQRJUNIF-UHFFFAOYSA-N 0 0 231.202 2.052 20 5 BEBDRN CC(C)(C)SCn1cc([N+](=O)[O-])cn1 ZINC000871646374 589781957 /nfs/dbraw/zinc/78/19/57/589781957.db2.gz KLZWIBLDNVLCGJ-UHFFFAOYSA-N 0 0 215.278 2.281 20 5 BEBDRN Cc1conc1COc1ncc(C)cc1[N+](=O)[O-] ZINC000871656413 589783333 /nfs/dbraw/zinc/78/33/33/589783333.db2.gz IGQZLSUTWLBSLA-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CCN(C)C(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000873977477 590082039 /nfs/dbraw/zinc/08/20/39/590082039.db2.gz LPGMGSZGWQZNQU-UHFFFAOYSA-N 0 0 236.271 2.304 20 5 BEBDRN O=C(N[C@@H]1CC12CCC2)c1ccccc1[N+](=O)[O-] ZINC000874790231 590136620 /nfs/dbraw/zinc/13/66/20/590136620.db2.gz ZXDMMGUTLWTITC-LLVKDONJSA-N 0 0 246.266 2.267 20 5 BEBDRN O=C(N[C@@H]1CC12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000874792406 590137191 /nfs/dbraw/zinc/13/71/91/590137191.db2.gz VUORMBMCHIVLOM-LLVKDONJSA-N 0 0 246.266 2.267 20 5 BEBDRN O=C(N[C@H]1CC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000874791145 590137269 /nfs/dbraw/zinc/13/72/69/590137269.db2.gz HQWUHVDJQJLAHE-NSHDSACASA-N 0 0 246.266 2.267 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)OCCF ZINC000125699628 590182017 /nfs/dbraw/zinc/18/20/17/590182017.db2.gz ALNHKYXJUPTRRK-UHFFFAOYSA-N 0 0 227.191 2.030 20 5 BEBDRN O=C1CCCN1/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000876500829 590203027 /nfs/dbraw/zinc/20/30/27/590203027.db2.gz IVNBMZBCKBCLHC-CLFYSBASSA-N 0 0 232.239 2.188 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCOC2CC2)cc1 ZINC000877874999 590435371 /nfs/dbraw/zinc/43/53/71/590435371.db2.gz QHKWYGSZVMWIMH-UHFFFAOYSA-N 0 0 223.228 2.153 20 5 BEBDRN Cc1c(OCCOC2CC2)cccc1[N+](=O)[O-] ZINC000877887151 590439679 /nfs/dbraw/zinc/43/96/79/590439679.db2.gz CWIJWNMEGZLTNZ-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN CCON(CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000879796514 590875104 /nfs/dbraw/zinc/87/51/04/590875104.db2.gz XLJZFDFSZWWLNQ-UHFFFAOYSA-N 0 0 238.287 2.411 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]1C ZINC000881481839 591212534 /nfs/dbraw/zinc/21/25/34/591212534.db2.gz RLUVZDLBOVHCEI-SECBINFHSA-N 0 0 248.282 2.446 20 5 BEBDRN CC(C)CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881738784 591268620 /nfs/dbraw/zinc/26/86/20/591268620.db2.gz RKJSJUIFFHRAFU-UHFFFAOYSA-N 0 0 213.212 2.197 20 5 BEBDRN C[C@@H]1C[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881808074 591272199 /nfs/dbraw/zinc/27/21/99/591272199.db2.gz LYGOAWXBFYLSTQ-RQJHMYQMSA-N 0 0 225.223 2.197 20 5 BEBDRN C[C@H]1C[C@@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881808072 591272639 /nfs/dbraw/zinc/27/26/39/591272639.db2.gz LYGOAWXBFYLSTQ-NKWVEPMBSA-N 0 0 225.223 2.197 20 5 BEBDRN C[C@H](O)CSc1c(F)cccc1[N+](=O)[O-] ZINC000882738175 591425493 /nfs/dbraw/zinc/42/54/93/591425493.db2.gz MDQCCODBOGBQLM-LURJTMIESA-N 0 0 231.248 2.207 20 5 BEBDRN CCCC(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000132370816 591705166 /nfs/dbraw/zinc/70/51/66/591705166.db2.gz PPPGHKPDTTXCFJ-UHFFFAOYSA-N 0 0 227.191 2.439 20 5 BEBDRN C[C@H](O)CCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134055832 591879283 /nfs/dbraw/zinc/87/92/83/591879283.db2.gz RTMUCMXVHKQKKX-ZETCQYMHSA-N 0 0 245.662 2.398 20 5 BEBDRN C[C@@H](O)CCOc1cc([N+](=O)[O-])ccc1Cl ZINC000134058999 591879626 /nfs/dbraw/zinc/87/96/26/591879626.db2.gz ZPLMYWMGFIHOLA-SSDOTTSWSA-N 0 0 245.662 2.398 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1N1C[C@@H]2C[C@@H]2C1 ZINC000884587495 591988161 /nfs/dbraw/zinc/98/81/61/591988161.db2.gz JVILBGPBVDCWBR-OCAPTIKFSA-N 0 0 222.219 2.190 20 5 BEBDRN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ncco1 ZINC000886275529 592195493 /nfs/dbraw/zinc/19/54/93/592195493.db2.gz CFQQBLCQMNHMGX-VIFPVBQESA-N 0 0 247.254 2.434 20 5 BEBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Oc1ccccc1 ZINC000138084770 592233720 /nfs/dbraw/zinc/23/37/20/592233720.db2.gz BXEXQIQZYOERCQ-UHFFFAOYSA-N 0 0 246.222 2.153 20 5 BEBDRN C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000111290072 634529790 /nfs/dbraw/zinc/52/97/90/634529790.db2.gz SFYDKODDSZAGQZ-LURJTMIESA-N 0 0 246.213 2.325 20 5 BEBDRN C[C@H]1CCCC[C@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000891442799 631302172 /nfs/dbraw/zinc/30/21/72/631302172.db2.gz UTEAOVAFRANFHI-DTWKUNHWSA-N 0 0 238.291 2.319 20 5 BEBDRN CCC(=O)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC000178994013 632458314 /nfs/dbraw/zinc/45/83/14/632458314.db2.gz NJYNMTCRTOQXCW-UHFFFAOYSA-N 0 0 209.201 2.219 20 5 BEBDRN Nc1ccc(OCCC2CC2)cc1[N+](=O)[O-] ZINC000309594091 632554792 /nfs/dbraw/zinc/55/47/92/632554792.db2.gz HVSIINOFFXVKAW-UHFFFAOYSA-N 0 0 222.244 2.356 20 5 BEBDRN C[C@@H](O)CCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000310423755 632738919 /nfs/dbraw/zinc/73/89/19/632738919.db2.gz OQEDJVNCNGGGIU-MRVPVSSYSA-N 0 0 243.234 2.274 20 5 BEBDRN CC(C)C[C@H](O)CNc1ccsc1[N+](=O)[O-] ZINC000309375912 632990753 /nfs/dbraw/zinc/99/07/53/632990753.db2.gz RHOMCDPWVKHQIF-QMMMGPOBSA-N 0 0 244.316 2.475 20 5 BEBDRN C[C@H]1CC[C@H]1Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000310985344 633038904 /nfs/dbraw/zinc/03/89/04/633038904.db2.gz YQYBREHGSXBNRK-NKWVEPMBSA-N 0 0 248.242 2.341 20 5 BEBDRN CCCOC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000106148411 635263707 /nfs/dbraw/zinc/26/37/07/635263707.db2.gz XJCXLRVAXAAYKP-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000814044097 635749171 /nfs/dbraw/zinc/74/91/71/635749171.db2.gz OAIZSGGHSSESAP-UTLUCORTSA-N 0 0 229.276 2.021 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC[C@@H](O)C2CC2)cc1 ZINC000897387472 636568076 /nfs/dbraw/zinc/56/80/76/636568076.db2.gz YXIGNEKDPKGHQA-GFCCVEGCSA-N 0 0 236.271 2.168 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(F)F ZINC000192731686 636948955 /nfs/dbraw/zinc/94/89/55/636948955.db2.gz NAOQRFJFFUAALT-UHFFFAOYSA-N 0 0 244.197 2.415 20 5 BEBDRN Cc1ccc(-c2ncco2)cc1NCC[N+](=O)[O-] ZINC000905328292 637760107 /nfs/dbraw/zinc/76/01/07/637760107.db2.gz FBIKHGQPCJGLGJ-UHFFFAOYSA-N 0 0 247.254 2.339 20 5 BEBDRN CCCOc1cccc(NCC[N+](=O)[O-])c1 ZINC000905302326 637762354 /nfs/dbraw/zinc/76/23/54/637762354.db2.gz CMQODIJQUGFFBP-UHFFFAOYSA-N 0 0 224.260 2.164 20 5 BEBDRN CC(C)Oc1ccc(NCC[N+](=O)[O-])cc1 ZINC000905302482 637763189 /nfs/dbraw/zinc/76/31/89/637763189.db2.gz ZKBVGOQHLSZXMD-UHFFFAOYSA-N 0 0 224.260 2.162 20 5 BEBDRN CCOc1cc(Cl)ccc1NCC[N+](=O)[O-] ZINC000905329394 637778088 /nfs/dbraw/zinc/77/80/88/637778088.db2.gz ORKMCRCTWBWWOM-UHFFFAOYSA-N 0 0 244.678 2.427 20 5 BEBDRN CC(C)Oc1cccc(NCC[N+](=O)[O-])c1 ZINC000905339196 637780025 /nfs/dbraw/zinc/78/00/25/637780025.db2.gz OJOJEYYZSRJVHA-UHFFFAOYSA-N 0 0 224.260 2.162 20 5 BEBDRN COc1ccc(NCC[N+](=O)[O-])cc1SC ZINC000905340983 637782620 /nfs/dbraw/zinc/78/26/20/637782620.db2.gz YDNLQSBJQGJCOX-UHFFFAOYSA-N 0 0 242.300 2.106 20 5 BEBDRN O=[N+]([O-])CCN1CCC=C(c2ccccc2)C1 ZINC000930376804 639740150 /nfs/dbraw/zinc/74/01/50/639740150.db2.gz QZMPWKAURVSBTA-UHFFFAOYSA-N 0 0 232.283 2.052 20 5 BEBDRN C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930492217 639781025 /nfs/dbraw/zinc/78/10/25/639781025.db2.gz FDWAHHDAMRQLTL-MNOVXSKESA-N 0 0 228.336 2.410 20 5 BEBDRN C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CC[N+](=O)[O-] ZINC000930492215 639782492 /nfs/dbraw/zinc/78/24/92/639782492.db2.gz FDWAHHDAMRQLTL-GHMZBOCLSA-N 0 0 228.336 2.410 20 5 BEBDRN CCC[C@H]1CCCN1c1c([N+](=O)[O-])ncn1C ZINC000912463753 640071048 /nfs/dbraw/zinc/07/10/48/640071048.db2.gz NVKUJUPDQYICET-VIFPVBQESA-N 0 0 238.291 2.097 20 5 BEBDRN CC(C)C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000151213398 640343722 /nfs/dbraw/zinc/34/37/22/640343722.db2.gz CWWPDHLSUHYPPD-UHFFFAOYSA-N 0 0 237.255 2.337 20 5 BEBDRN CCCOC(=O)c1ccc([N+](=O)[O-])s1 ZINC000057952802 640652626 /nfs/dbraw/zinc/65/26/26/640652626.db2.gz YBWAQQSAXHICTH-UHFFFAOYSA-N 0 0 215.230 2.223 20 5 BEBDRN C/C=C/C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231884851 641212894 /nfs/dbraw/zinc/21/28/94/641212894.db2.gz UXTPRKPWYVCBKF-HWKANZROSA-N 0 0 234.255 2.096 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC(F)(F)F)n1 ZINC000088036103 641258106 /nfs/dbraw/zinc/25/81/06/641258106.db2.gz BWYUONKJECKVJF-UHFFFAOYSA-N 0 0 235.165 2.272 20 5 BEBDRN Cc1nccn1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774981 641352747 /nfs/dbraw/zinc/35/27/47/641352747.db2.gz XKXNSFOJAWSFCX-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN C[C@H](Cc1ccco1)Nc1ncc([N+](=O)[O-])cn1 ZINC000040454882 641531619 /nfs/dbraw/zinc/53/16/19/641531619.db2.gz CGGSTMYXERCUPD-MRVPVSSYSA-N 0 0 248.242 2.021 20 5 BEBDRN CCCCN(Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000914785316 641764420 /nfs/dbraw/zinc/76/44/20/641764420.db2.gz PDPBEUNOKYZVAA-UHFFFAOYSA-N 0 0 238.291 2.013 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1C1CC2(CCC2)C1 ZINC000915568131 641838513 /nfs/dbraw/zinc/83/85/13/641838513.db2.gz NLGDRNNCPZMMIU-UHFFFAOYSA-N 0 0 234.255 2.262 20 5 BEBDRN C[C@H](N(C)Cn1nccc1[N+](=O)[O-])C(C)(C)C ZINC000917429178 642061881 /nfs/dbraw/zinc/06/18/81/642061881.db2.gz QBOLQWZNLARULK-VIFPVBQESA-N 0 0 240.307 2.115 20 5 BEBDRN Cc1ccc(OCCn2nccc2[N+](=O)[O-])cc1 ZINC000918161038 642174918 /nfs/dbraw/zinc/17/49/18/642174918.db2.gz UJSUVBJUBHTBIZ-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN O=[N+]([O-])c1nccn1CCOCc1ccccc1 ZINC000918385364 642194083 /nfs/dbraw/zinc/19/40/83/642194083.db2.gz ARFGRLNJGQFHSR-UHFFFAOYSA-N 0 0 247.254 2.008 20 5 BEBDRN O=[N+]([O-])c1nccn1C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000918387525 642195703 /nfs/dbraw/zinc/19/57/03/642195703.db2.gz QDRYRNSHGINMCN-IVZWLZJFSA-N 0 0 219.244 2.004 20 5 BEBDRN C/C=C/COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000033838439 642395039 /nfs/dbraw/zinc/39/50/39/642395039.db2.gz IFYMPHLEENWYIT-NSCUHMNNSA-N 0 0 221.212 2.328 20 5 BEBDRN CC[C@@H](C)OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000920125841 642438869 /nfs/dbraw/zinc/43/88/69/642438869.db2.gz HAJPOEDYUGCSJM-SECBINFHSA-N 0 0 237.255 2.479 20 5 BEBDRN CC(C)C(=O)OCc1ccccc1[N+](=O)[O-] ZINC000115244291 642976160 /nfs/dbraw/zinc/97/61/60/642976160.db2.gz SSNDBFAOIJWBKN-UHFFFAOYSA-N 0 0 223.228 2.294 20 5 BEBDRN O=c1c([N+](=O)[O-])cccn1C/C(Cl)=C\Cl ZINC000255031197 643261358 /nfs/dbraw/zinc/26/13/58/643261358.db2.gz VCWBTXQXMVWFSJ-GQCTYLIASA-N 0 0 249.053 2.076 20 5 BEBDRN CC(C)[C@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000304207068 644877076 /nfs/dbraw/zinc/87/70/76/644877076.db2.gz KPOBZQBWFYLNIY-SNVBAGLBSA-N 0 0 243.234 2.130 20 5 BEBDRN C/C=C(\C)COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000842846234 645254261 /nfs/dbraw/zinc/25/42/61/645254261.db2.gz NAGCGUUYYWNEAX-WEVVVXLNSA-N 0 0 229.276 2.331 20 5 BEBDRN Cc1ccc(N(C)[C@H](C)CCO)c([N+](=O)[O-])c1 ZINC000845752687 645385613 /nfs/dbraw/zinc/38/56/13/645385613.db2.gz PFSLAFZGWPVEOR-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN CCN(CC[N+](=O)[O-])Cc1ccc(Cl)cc1 ZINC000929379592 646103502 /nfs/dbraw/zinc/10/35/02/646103502.db2.gz NGKKJCDVFCZQNA-UHFFFAOYSA-N 0 0 242.706 2.439 20 5 BEBDRN O=[N+]([O-])CCN1CC[C@H]1c1ccc(Cl)cc1 ZINC000929785738 646314356 /nfs/dbraw/zinc/31/43/56/646314356.db2.gz BOQXUBVPIXVVCS-NSHDSACASA-N 0 0 240.690 2.364 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1NCCOCCF ZINC000702595244 712056143 /nfs/dbraw/zinc/05/61/43/712056143.db2.gz HCWDTFOUZQYKBZ-UHFFFAOYSA-N 0 0 246.213 2.132 20 5 BEBDRN CCN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037023334 712529863 /nfs/dbraw/zinc/52/98/63/712529863.db2.gz OGBJDVRYCZBDGP-UHFFFAOYSA-N 0 0 242.662 2.340 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC12CC(O)C2 ZINC000724990828 711641045 /nfs/dbraw/zinc/64/10/45/711641045.db2.gz PHJJLHWPODVRRC-DMLGSKKGSA-N 0 0 248.282 2.229 20 5 BEBDRN CC1(C(=O)OCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000177974659 711673572 /nfs/dbraw/zinc/67/35/72/711673572.db2.gz ZJQOUXWSHODCON-UHFFFAOYSA-N 0 0 249.266 2.481 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC[C@@H]3C[C@@H]32)cc1F ZINC000706764563 712154782 /nfs/dbraw/zinc/15/47/82/712154782.db2.gz KSAYFNNOQXSNIR-SKDRFNHKSA-N 0 0 236.246 2.328 20 5 BEBDRN O=c1[nH]ccc(NC[C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC000711677488 712316068 /nfs/dbraw/zinc/31/60/68/712316068.db2.gz CAUCHAQEHVGMEZ-MRVPVSSYSA-N 0 0 235.243 2.074 20 5 BEBDRN C[C@H]1COCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000754080789 712406186 /nfs/dbraw/zinc/40/61/86/712406186.db2.gz CVWGSJCLTAWZCX-MRVPVSSYSA-N 0 0 242.300 2.129 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC[C@@H]2CC[C@H]3C[C@H]32)nc1 ZINC000717159160 712637755 /nfs/dbraw/zinc/63/77/55/712637755.db2.gz VOQMITYDYVXYOP-QXEWZRGKSA-N 0 0 248.286 2.233 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NC1CCC=CCC1 ZINC000718076248 712741249 /nfs/dbraw/zinc/74/12/49/712741249.db2.gz BCYIHAXNKOXQCL-UHFFFAOYSA-N 0 0 236.275 2.239 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2CCC=CCC2)nc1 ZINC000718076797 712741407 /nfs/dbraw/zinc/74/14/07/712741407.db2.gz FEKBIDXBMYKLKC-UHFFFAOYSA-N 0 0 234.259 2.296 20 5 BEBDRN CO[C@@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001222698975 960773236 /nfs/dbraw/zinc/77/32/36/960773236.db2.gz BIZHPMXYBNRQIE-LURJTMIESA-N 0 0 225.200 2.031 20 5 BEBDRN CC[C@H](C)[C@H](C)Oc1ncncc1[N+](=O)[O-] ZINC001228654712 963884353 /nfs/dbraw/zinc/88/43/53/963884353.db2.gz MWXMEMZMZZJUBE-YUMQZZPRSA-N 0 0 225.248 2.198 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(OC[C@H]2CCO2)cc1F ZINC001233597217 965533744 /nfs/dbraw/zinc/53/37/44/965533744.db2.gz KDUZAMFCKWIAIW-ZCFIWIBFSA-N 0 0 245.181 2.041 20 5 BEBDRN CC(=O)[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000041041705 1165777175 /nfs/dbraw/zinc/77/71/75/1165777175.db2.gz IWBXZLQUJUNYLQ-VIFPVBQESA-N 0 0 223.228 2.260 20 5 BEBDRN Nc1ccc(Nc2nccs2)cc1[N+](=O)[O-] ZINC001209933437 969697052 /nfs/dbraw/zinc/69/70/52/969697052.db2.gz LRZZUOPGYNOXIL-UHFFFAOYSA-N 0 0 236.256 2.377 20 5 BEBDRN COCC(C)(C)Nc1cc([N+](=O)[O-])c(C)cn1 ZINC000167450327 970243036 /nfs/dbraw/zinc/24/30/36/970243036.db2.gz HTNOKCIMGCBKCR-UHFFFAOYSA-N 0 0 239.275 2.135 20 5 BEBDRN CC(=O)[C@H](C)Oc1c(F)cc([N+](=O)[O-])cc1F ZINC001226743625 975054302 /nfs/dbraw/zinc/05/43/02/975054302.db2.gz DZEPFUXYQGAIAR-LURJTMIESA-N 0 0 245.181 2.229 20 5 BEBDRN CCOC[C@H](C)Oc1cccc([N+](=O)[O-])c1 ZINC001226763070 975064237 /nfs/dbraw/zinc/06/42/37/975064237.db2.gz IBFKGFAIXGBJCA-VIFPVBQESA-N 0 0 225.244 2.399 20 5 BEBDRN CO[C@H](C)COc1c(C)cccc1[N+](=O)[O-] ZINC001226970576 975195913 /nfs/dbraw/zinc/19/59/13/975195913.db2.gz ZMOMKWATDRKDJB-SECBINFHSA-N 0 0 225.244 2.317 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(O[C@H](C)C2CC2)n1 ZINC001227067409 975251742 /nfs/dbraw/zinc/25/17/42/975251742.db2.gz XRXONVYNGUOCSL-MRVPVSSYSA-N 0 0 222.244 2.476 20 5 BEBDRN CCC(=O)[C@@H](CC)Oc1cnccc1[N+](=O)[O-] ZINC001228881301 976549378 /nfs/dbraw/zinc/54/93/78/976549378.db2.gz CWKADKQCTVAKCU-SNVBAGLBSA-N 0 0 238.243 2.126 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1OC[C@@H]1CCO1 ZINC001229377749 976850177 /nfs/dbraw/zinc/85/01/77/976850177.db2.gz QRVXBAUQIHJVIN-QMMMGPOBSA-N 0 0 243.646 2.416 20 5 BEBDRN C[C@@H](O)C(C)(C)CNc1ccc([N+](=O)[O-])s1 ZINC001338141791 978622868 /nfs/dbraw/zinc/62/28/68/978622868.db2.gz JQVMFZBOBDDLDO-SSDOTTSWSA-N 0 0 244.316 2.475 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1OCC1(O)CCC1 ZINC000691338827 1168276771 /nfs/dbraw/zinc/27/67/71/1168276771.db2.gz VQVZGBICVKGUCR-UHFFFAOYSA-N 0 0 241.218 2.028 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@H]1CCC[C@H]1C ZINC001345002585 980516811 /nfs/dbraw/zinc/51/68/11/980516811.db2.gz YARLOMUDKRHRBK-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001346195559 980780151 /nfs/dbraw/zinc/78/01/51/980780151.db2.gz ANVPXROBCSLPHF-UKKRHICBSA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@@H]1CCC[C@]1(C)C(=O)OCCC[N+](=O)[O-] ZINC001346451226 980840596 /nfs/dbraw/zinc/84/05/96/980840596.db2.gz UMZGLHOPJCAGCO-PWSUYJOCSA-N 0 0 243.303 2.413 20 5 BEBDRN Cc1coc(C(=O)OCC(C)(C)[N+](=O)[O-])c1C ZINC001348751392 981435655 /nfs/dbraw/zinc/43/56/55/981435655.db2.gz XPGUKHSYYWQBRR-UHFFFAOYSA-N 0 0 241.243 2.109 20 5 BEBDRN C[C@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])CO1 ZINC000402377523 970792443 /nfs/dbraw/zinc/79/24/43/970792443.db2.gz KEJAXOYTBRIKLX-JGVFFNPUSA-N 0 0 240.234 2.323 20 5 BEBDRN N#CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001157821971 970825873 /nfs/dbraw/zinc/82/58/73/970825873.db2.gz APHNJFZEYSDNML-UHFFFAOYSA-N 0 0 214.184 2.036 20 5 BEBDRN CC(C)Cc1nnc(-c2ccnc([N+](=O)[O-])c2)o1 ZINC001256481712 970853012 /nfs/dbraw/zinc/85/30/12/970853012.db2.gz VLDNJMCEZCPNOE-UHFFFAOYSA-N 0 0 248.242 2.238 20 5 BEBDRN C[C@@H]1C[C@@H]1c1nnc(-c2cncc([N+](=O)[O-])c2)o1 ZINC001256727472 970947145 /nfs/dbraw/zinc/94/71/45/970947145.db2.gz NTLCDJPLLJVBGB-MUWHJKNJSA-N 0 0 246.226 2.163 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)C[C@@H](OCCF)C2 ZINC001224674270 973847988 /nfs/dbraw/zinc/84/79/88/973847988.db2.gz NNCHGZCMDGSQMG-NSHDSACASA-N 0 0 225.219 2.048 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001256988425 971058783 /nfs/dbraw/zinc/05/87/83/971058783.db2.gz ZYWRMJDBFDOHDZ-AOOOYVTPSA-N 0 0 247.298 2.390 20 5 BEBDRN CC(=O)CC(C)(C)Nc1ncccc1[N+](=O)[O-] ZINC001171499331 974082203 /nfs/dbraw/zinc/08/22/03/974082203.db2.gz QEKSYTHWZKBNHA-UHFFFAOYSA-N 0 0 237.259 2.159 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1ccc(F)c(F)c1)C1CC1 ZINC001225313266 974388737 /nfs/dbraw/zinc/38/87/37/974388737.db2.gz HBLHZYVWWKYQJH-LLVKDONJSA-N 0 0 243.209 2.399 20 5 BEBDRN O=[N+]([O-])c1cc(O[C@H]2C[C@H](O)C2)ccc1Cl ZINC001218361198 971738026 /nfs/dbraw/zinc/73/80/26/971738026.db2.gz CAIMRJWQADCOIM-FKQCQYRASA-N 0 0 243.646 2.150 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1C[C@H](O)C1 ZINC001218363853 971745742 /nfs/dbraw/zinc/74/57/42/971745742.db2.gz HYIOFMOSSDUVAX-MGCOHNPYSA-N 0 0 237.255 2.114 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2C[C@@H](O)C2)c(Cl)c1 ZINC001218413131 971785461 /nfs/dbraw/zinc/78/54/61/971785461.db2.gz SCLKWDNWVVVBJC-OCAPTIKFSA-N 0 0 243.646 2.150 20 5 BEBDRN Cc1cc(OC[C@H]2C[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC001218433173 971813113 /nfs/dbraw/zinc/81/31/13/971813113.db2.gz GKDKWOCIOJCEEA-JGZJWPJOSA-N 0 0 237.255 2.053 20 5 BEBDRN Cc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)n(C)n1 ZINC001210392721 957741245 /nfs/dbraw/zinc/74/12/45/957741245.db2.gz MFGJNTAIEYNATJ-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1Nc1ncccn1 ZINC001210949074 957959308 /nfs/dbraw/zinc/95/93/08/957959308.db2.gz GINNEBVHPQQGFW-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@@]23C[C@@H]2CCCC3)nc1 ZINC000693605872 958971231 /nfs/dbraw/zinc/97/12/31/958971231.db2.gz DKNQATGLULMAJE-JOYOIKCWSA-N 0 0 248.286 2.377 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1C[C@@H](O)C1 ZINC001218422128 960081181 /nfs/dbraw/zinc/08/11/81/960081181.db2.gz HYIOFMOSSDUVAX-AOOOYVTPSA-N 0 0 237.255 2.114 20 5 BEBDRN C[C@H](OC[C@H]1CCO1)c1cccc([N+](=O)[O-])c1 ZINC001223428083 961309223 /nfs/dbraw/zinc/30/92/23/961309223.db2.gz BZNSDPYHWDOLLV-JOYOIKCWSA-N 0 0 237.255 2.461 20 5 BEBDRN CC(C)CNc1cc([N+](=O)[O-])c2nccn2c1 ZINC001161648400 963021691 /nfs/dbraw/zinc/02/16/91/963021691.db2.gz GWCIBCVQEFQTDG-UHFFFAOYSA-N 0 0 234.259 2.310 20 5 BEBDRN CC(C)CNc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001161648489 963023149 /nfs/dbraw/zinc/02/31/49/963023149.db2.gz KALJEALPMFCGJO-UHFFFAOYSA-N 0 0 234.259 2.310 20 5 BEBDRN CC(C)(C)CCNc1nccnc1[N+](=O)[O-] ZINC001161673333 963144167 /nfs/dbraw/zinc/14/41/67/963144167.db2.gz GGIZTYQHRBVUFQ-UHFFFAOYSA-N 0 0 224.264 2.233 20 5 BEBDRN Cc1nnc(O[C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC001226459741 963205397 /nfs/dbraw/zinc/20/53/97/963205397.db2.gz SKCCQKUVFMLXSL-SSDOTTSWSA-N 0 0 249.226 2.426 20 5 BEBDRN CC[C@@H](C)Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001167998047 963205422 /nfs/dbraw/zinc/20/54/22/963205422.db2.gz DKCCZELKHNZCRL-ZCFIWIBFSA-N 0 0 245.666 2.092 20 5 BEBDRN CC[C@H](C)Nc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001168004619 963251994 /nfs/dbraw/zinc/25/19/94/963251994.db2.gz ZPWYEWYLYSFTOQ-ZETCQYMHSA-N 0 0 249.270 2.049 20 5 BEBDRN CCCNc1c(Cl)nccc1[N+](=O)[O-] ZINC001168130789 963813795 /nfs/dbraw/zinc/81/37/95/963813795.db2.gz OXCGXONIKBTKFZ-UHFFFAOYSA-N 0 0 215.640 2.465 20 5 BEBDRN Cc1cc(NC(=O)c2cnco2)cc([N+](=O)[O-])c1 ZINC001159511566 964118811 /nfs/dbraw/zinc/11/88/11/964118811.db2.gz BNOSLPJCPHSXRP-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN C[C@@H](O[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC001224019232 964343934 /nfs/dbraw/zinc/34/39/34/964343934.db2.gz DWRXTVALTAEBCX-BXKDBHETSA-N 0 0 237.255 2.461 20 5 BEBDRN CC(C)(C)CO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001204887223 964475813 /nfs/dbraw/zinc/47/58/13/964475813.db2.gz RFEDEBTWQZIJCJ-LLVKDONJSA-N 0 0 238.287 2.462 20 5 BEBDRN O=[N+]([O-])c1ccc(CCOC2CC2)cc1 ZINC001224331219 964544894 /nfs/dbraw/zinc/54/48/94/964544894.db2.gz NIWCEFIHIOLGHV-UHFFFAOYSA-N 0 0 207.229 2.316 20 5 BEBDRN Nc1cc(NC2CC3(CCC3)C2)ncc1[N+](=O)[O-] ZINC001161447114 964610239 /nfs/dbraw/zinc/61/02/39/964610239.db2.gz XLSCTUXGQWHWTP-UHFFFAOYSA-N 0 0 248.286 2.317 20 5 BEBDRN O=[N+]([O-])c1ccnc(Cl)c1NCC(F)F ZINC001161809942 964760320 /nfs/dbraw/zinc/76/03/20/964760320.db2.gz UBRRODYDQFIKBS-UHFFFAOYSA-N 0 0 237.593 2.320 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC2CSC2)n1 ZINC000697978282 964831273 /nfs/dbraw/zinc/83/12/73/964831273.db2.gz GPSYRBMYKWGGNJ-UHFFFAOYSA-N 0 0 239.300 2.073 20 5 BEBDRN CNc1cc([N+](=O)[O-])cnc1NCC(C)(F)F ZINC001162230915 964886942 /nfs/dbraw/zinc/88/69/42/964886942.db2.gz WHANXDXYJPGFFW-UHFFFAOYSA-N 0 0 246.217 2.099 20 5 BEBDRN Cc1oncc1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC001162268793 964897240 /nfs/dbraw/zinc/89/72/40/964897240.db2.gz CFWZDCRPELDFEK-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC(C)(C)C(=N)Nc1ncccc1[N+](=O)[O-] ZINC001162660048 965093176 /nfs/dbraw/zinc/09/31/76/965093176.db2.gz CLVXKUZVGNFOHJ-UHFFFAOYSA-N 0 0 222.248 2.425 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCC1CC(=O)C1 ZINC001168392904 965128149 /nfs/dbraw/zinc/12/81/49/965128149.db2.gz SAXNHCRUUSPPON-UHFFFAOYSA-N 0 0 234.255 2.294 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(N2CCC2)nc1Cl ZINC001163533773 965430287 /nfs/dbraw/zinc/43/02/87/965430287.db2.gz DJSZWVWKFTUUCS-UHFFFAOYSA-N 0 0 227.651 2.162 20 5 BEBDRN CCCOCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000714974633 965573644 /nfs/dbraw/zinc/57/36/44/965573644.db2.gz HXPSDVWTNCKODV-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC(F)(F)C2)c1 ZINC001164395121 965871062 /nfs/dbraw/zinc/87/10/62/965871062.db2.gz VLYMMZDHDVOBHA-UHFFFAOYSA-N 0 0 228.198 2.359 20 5 BEBDRN CC1(F)CN(c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001164582925 965926402 /nfs/dbraw/zinc/92/64/02/965926402.db2.gz YSCJKTWELUQMID-UHFFFAOYSA-N 0 0 245.641 2.191 20 5 BEBDRN C[C@@H](CCO)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001165905642 966199630 /nfs/dbraw/zinc/19/96/30/966199630.db2.gz PJOHPGSJYKTACD-ZETCQYMHSA-N 0 0 244.678 2.431 20 5 BEBDRN Cc1cc(O)cnc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203560423 966691142 /nfs/dbraw/zinc/69/11/42/966691142.db2.gz LJLGMLMKVCPIDA-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1cnc(C)c(Nc2ccc([N+](=O)[O-])nc2)n1 ZINC001203561083 966693053 /nfs/dbraw/zinc/69/30/53/966693053.db2.gz UGAWAVUPFGFERY-UHFFFAOYSA-N 0 0 245.242 2.140 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccc[nH]c2=S)cn1 ZINC001203566456 966694797 /nfs/dbraw/zinc/69/47/97/966694797.db2.gz JOAAERLOZBJZDW-UHFFFAOYSA-N 0 0 248.267 2.417 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccnc(F)c2)cn1 ZINC001203566366 966695921 /nfs/dbraw/zinc/69/59/21/966695921.db2.gz HXTSSNDCWRCIGE-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN N#CNc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001168628735 967129550 /nfs/dbraw/zinc/12/95/50/967129550.db2.gz UOEUFQMNYLHZFX-UHFFFAOYSA-N 0 0 232.174 2.175 20 5 BEBDRN COc1c([N+](=O)[O-])cc(Cl)c(C)c1NC#N ZINC001168632122 967146721 /nfs/dbraw/zinc/14/67/21/967146721.db2.gz LHGIMWLGXGSUNE-UHFFFAOYSA-N 0 0 241.634 2.458 20 5 BEBDRN COc1ncc([N+](=O)[O-])cc1NCC(C)(F)F ZINC001162234474 967773913 /nfs/dbraw/zinc/77/39/13/967773913.db2.gz VCVRYRMXLGJQTN-UHFFFAOYSA-N 0 0 247.201 2.066 20 5 BEBDRN O=[N+]([O-])c1cccc2ccc(N3CCC3)nc21 ZINC001163534493 968050728 /nfs/dbraw/zinc/05/07/28/968050728.db2.gz YAZINLVWGMBASI-UHFFFAOYSA-N 0 0 229.239 2.353 20 5 BEBDRN Cc1cncc(Nc2ccccc2[N+](=O)[O-])n1 ZINC001206140517 968082812 /nfs/dbraw/zinc/08/28/12/968082812.db2.gz WIXKJPNJBSFILJ-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN CN(c1ccccc1[N+](=O)[O-])c1ncccc1N ZINC001206140254 968083480 /nfs/dbraw/zinc/08/34/80/968083480.db2.gz NGZBSDKFWHIIAS-UHFFFAOYSA-N 0 0 244.254 2.340 20 5 BEBDRN O=[N+]([O-])c1ccccc1Nc1cccnn1 ZINC001206140400 968084367 /nfs/dbraw/zinc/08/43/67/968084367.db2.gz SOXNPIQSRGNRPC-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN CCc1coc(CNc2cc([N+](=O)[O-])ccn2)n1 ZINC001154772705 968657935 /nfs/dbraw/zinc/65/79/35/968657935.db2.gz FKYMSZFTBSVELP-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN C[C@H]1COC[C@@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000829434696 968832999 /nfs/dbraw/zinc/83/29/99/968832999.db2.gz YVJARFGNXBYUOR-XVKPBYJWSA-N 0 0 240.234 2.181 20 5 BEBDRN Cc1nnc(Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC001253420777 969169547 /nfs/dbraw/zinc/16/95/47/969169547.db2.gz CHKAXLLQLJZXOQ-UHFFFAOYSA-N 0 0 233.227 2.185 20 5 BEBDRN Cc1nnc(-c2cc(C)cc([N+](=O)[O-])c2)o1 ZINC001253463172 969186130 /nfs/dbraw/zinc/18/61/30/969186130.db2.gz LJIBZIKHNXLQMC-UHFFFAOYSA-N 0 0 219.200 2.262 20 5 BEBDRN CCOc1cc([N+](=O)[O-])ccc1-c1nnc(C)o1 ZINC001253471015 969189178 /nfs/dbraw/zinc/18/91/78/969189178.db2.gz OIVHBYISDDSKNM-UHFFFAOYSA-N 0 0 249.226 2.352 20 5 BEBDRN O=[N+]([O-])c1ccccc1Cc1nnc(C2CC2)o1 ZINC001254042674 969457304 /nfs/dbraw/zinc/45/73/04/969457304.db2.gz GZOYWAYXHRWZSG-UHFFFAOYSA-N 0 0 245.238 2.446 20 5 BEBDRN CCn1cnc(Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001209933852 969697647 /nfs/dbraw/zinc/69/76/47/969697647.db2.gz BZCLEOFBRREYNB-UHFFFAOYSA-N 0 0 247.258 2.137 20 5 BEBDRN Cc1conc1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209933103 969697954 /nfs/dbraw/zinc/69/79/54/969697954.db2.gz YIVIZCZJFKKRRT-UHFFFAOYSA-N 0 0 234.215 2.217 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCCCO1)C2 ZINC001254596358 969744642 /nfs/dbraw/zinc/74/46/42/969744642.db2.gz CQWZIORZRGPQFY-CYBMUJFWSA-N 0 0 248.282 2.089 20 5 BEBDRN O=[N+]([O-])C[C@H](OCCCCF)c1cccnc1 ZINC001209986962 969749323 /nfs/dbraw/zinc/74/93/23/969749323.db2.gz BYKBTRCZMKSFFJ-NSHDSACASA-N 0 0 242.250 2.166 20 5 BEBDRN Cc1c(Nc2ccc(O)c([N+](=O)[O-])c2)ncn1C ZINC001210396433 969883742 /nfs/dbraw/zinc/88/37/42/969883742.db2.gz RMXPPKSPWLUDMN-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN CCc1nnc(-c2c(OC)cccc2[N+](=O)[O-])o1 ZINC001255138194 969949303 /nfs/dbraw/zinc/94/93/03/969949303.db2.gz ODYFUUJUUXBIAW-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN CCc1nnc(-c2cccc(F)c2[N+](=O)[O-])o1 ZINC001255138233 969951215 /nfs/dbraw/zinc/95/12/15/969951215.db2.gz PXDVTEQOMTZYBF-UHFFFAOYSA-N 0 0 237.190 2.346 20 5 BEBDRN O=[N+]([O-])c1cc(-c2nnc(C3CCC3)o2)ccn1 ZINC001255225484 970008371 /nfs/dbraw/zinc/00/83/71/970008371.db2.gz CZIXJGAYFGMRNT-UHFFFAOYSA-N 0 0 246.226 2.307 20 5 BEBDRN CCCN(C)c1nccc(Cl)c1[N+](=O)[O-] ZINC001156874384 970014633 /nfs/dbraw/zinc/01/46/33/970014633.db2.gz OBAGSIMBQGVQGY-UHFFFAOYSA-N 0 0 229.667 2.489 20 5 BEBDRN N=CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001157079930 970080800 /nfs/dbraw/zinc/08/08/00/970080800.db2.gz IZUQPBJEXMAXMY-UHFFFAOYSA-N 0 0 216.200 2.162 20 5 BEBDRN Nc1cccnc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210948759 970084960 /nfs/dbraw/zinc/08/49/60/970084960.db2.gz BBSMHHWONVNKBP-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN CC[C@H](C)Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001157236548 970162780 /nfs/dbraw/zinc/16/27/80/970162780.db2.gz DJBYPTXJYDRRDZ-LURJTMIESA-N 0 0 245.666 2.092 20 5 BEBDRN Cn1cnc(Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC001211187866 970170036 /nfs/dbraw/zinc/17/00/36/970170036.db2.gz ANYSPAIYDYNKJK-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1cncnc1 ZINC001211283455 970216086 /nfs/dbraw/zinc/21/60/86/970216086.db2.gz AGQXHPWTCJSHMI-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1cnc[nH]c1=O ZINC001211287008 970216557 /nfs/dbraw/zinc/21/65/57/970216557.db2.gz CNJVRVZANFBDKH-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1cnc(N)cn1 ZINC001211287456 970216915 /nfs/dbraw/zinc/21/69/15/970216915.db2.gz MFYLUJLGQCIVIO-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN Cc1ccc(Nc2cncc(N)n2)c([N+](=O)[O-])c1 ZINC001214167627 970445043 /nfs/dbraw/zinc/44/50/43/970445043.db2.gz PZNBLXRYRIZFAY-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN Cc1ccc(-n2cccc2N)c([N+](=O)[O-])c1 ZINC001214169323 970449596 /nfs/dbraw/zinc/44/95/96/970449596.db2.gz HHSLJENBUWVZRC-UHFFFAOYSA-N 0 0 217.228 2.276 20 5 BEBDRN Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC(C)C ZINC000304446703 970594894 /nfs/dbraw/zinc/59/48/94/970594894.db2.gz UTMPPWRCMABHQF-UHFFFAOYSA-N 0 0 240.234 2.181 20 5 BEBDRN O=[N+]([O-])c1ccccc1COC1CC2(COC2)C1 ZINC001222760322 972685763 /nfs/dbraw/zinc/68/57/63/972685763.db2.gz OHDWWTVGBHBJRF-UHFFFAOYSA-N 0 0 249.266 2.290 20 5 BEBDRN CO[C@H](C)COCc1cccc([N+](=O)[O-])c1 ZINC001222769763 972689771 /nfs/dbraw/zinc/68/97/71/972689771.db2.gz ZAWZOXASVHQHFT-SECBINFHSA-N 0 0 225.244 2.146 20 5 BEBDRN COC[C@H](C)OCc1cccc([N+](=O)[O-])c1 ZINC001222769743 972691177 /nfs/dbraw/zinc/69/11/77/972691177.db2.gz YOCCNARHFSNPNS-VIFPVBQESA-N 0 0 225.244 2.146 20 5 BEBDRN C[C@H](OC1CC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC001223428156 973067081 /nfs/dbraw/zinc/06/70/81/973067081.db2.gz DSCALSYUCOUSTG-QMMMGPOBSA-N 0 0 235.239 2.404 20 5 BEBDRN Cc1ncc(CO[C@@H](C[N+](=O)[O-])C2CC2)s1 ZINC001223538717 973138513 /nfs/dbraw/zinc/13/85/13/973138513.db2.gz IWIZOWCRGSJIDZ-JTQLQIEISA-N 0 0 242.300 2.023 20 5 BEBDRN CC1(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC001328713178 973298111 /nfs/dbraw/zinc/29/81/11/973298111.db2.gz FPTFTQJALWATAR-UHFFFAOYSA-N 0 0 238.218 2.016 20 5 BEBDRN C[C@@H](OC1COC1)c1ccc([N+](=O)[O-])cc1 ZINC001224020617 973408732 /nfs/dbraw/zinc/40/87/32/973408732.db2.gz YSZOIDNXZJLYSR-MRVPVSSYSA-N 0 0 223.228 2.071 20 5 BEBDRN O=[N+]([O-])c1ccc(CO[C@@H]2C[C@H]3C=C[C@@H]2C3)cn1 ZINC001224109082 973451326 /nfs/dbraw/zinc/45/13/26/973451326.db2.gz NEMQVEGAWNAVBQ-MVWJERBFSA-N 0 0 246.266 2.471 20 5 BEBDRN Cc1nc(NC2(C)CC=CC2)ncc1[N+](=O)[O-] ZINC001329976115 974063956 /nfs/dbraw/zinc/06/39/56/974063956.db2.gz DAKLELSXMBBSDS-UHFFFAOYSA-N 0 0 234.259 2.214 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NCCC1CCC1 ZINC001330095067 974101396 /nfs/dbraw/zinc/10/13/96/974101396.db2.gz IRRUTWCMQFIUGG-UHFFFAOYSA-N 0 0 235.287 2.322 20 5 BEBDRN COc1ccc(O[C@H](C[N+](=O)[O-])C2CC2)cc1 ZINC001225254499 974312307 /nfs/dbraw/zinc/31/23/07/974312307.db2.gz JNKCVJQHZMKPLI-GFCCVEGCSA-N 0 0 237.255 2.129 20 5 BEBDRN O=[N+]([O-])c1cccnc1OC[C@@H]1CCC=CO1 ZINC001225593747 974580988 /nfs/dbraw/zinc/58/09/88/974580988.db2.gz XNNUIHYRDQPJIM-VIFPVBQESA-N 0 0 236.227 2.061 20 5 BEBDRN COCCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001331066454 974586112 /nfs/dbraw/zinc/58/61/12/974586112.db2.gz MOESINUOUCNGIE-UHFFFAOYSA-N 0 0 247.254 2.201 20 5 BEBDRN O=C(C=C1CCC1)OCc1cccnc1[N+](=O)[O-] ZINC001331098254 974600820 /nfs/dbraw/zinc/60/08/20/974600820.db2.gz BEFDOURPHAXXQL-UHFFFAOYSA-N 0 0 248.238 2.143 20 5 BEBDRN O=[N+]([O-])c1ncccc1OC[C@@H]1CCC=CO1 ZINC001225628886 974604766 /nfs/dbraw/zinc/60/47/66/974604766.db2.gz YCKRDZRVELCKEX-VIFPVBQESA-N 0 0 236.227 2.061 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@@H]2CCC=CO2)nc1 ZINC001225628179 974606080 /nfs/dbraw/zinc/60/60/80/974606080.db2.gz OABSARVBUXOPPM-JTQLQIEISA-N 0 0 236.227 2.061 20 5 BEBDRN CCC[C@H](C)Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225663272 974632768 /nfs/dbraw/zinc/63/27/68/974632768.db2.gz BEKOVSDXSMFZKN-ZETCQYMHSA-N 0 0 226.232 2.263 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC2CCOCC2)c1 ZINC001225678764 974639349 /nfs/dbraw/zinc/63/93/49/974639349.db2.gz IWILEHJOIXKAOY-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN COC[C@H](C)Oc1cc(C)ccc1[N+](=O)[O-] ZINC001225679524 974641613 /nfs/dbraw/zinc/64/16/13/974641613.db2.gz WMQDORZBDJQTHX-VIFPVBQESA-N 0 0 225.244 2.317 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1ccnc(Cl)c1)C1CC1 ZINC001225781090 974680441 /nfs/dbraw/zinc/68/04/41/974680441.db2.gz IITSVIRFQGEQAG-VIFPVBQESA-N 0 0 242.662 2.169 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1O[C@@H]1CCCOC1 ZINC001225905376 974724447 /nfs/dbraw/zinc/72/44/47/974724447.db2.gz RYGVSOIPVNUPIL-SECBINFHSA-N 0 0 241.218 2.292 20 5 BEBDRN Cc1ccnc(O[C@H]2C=CCC2)c1[N+](=O)[O-] ZINC001226118141 974799593 /nfs/dbraw/zinc/79/95/93/974799593.db2.gz IVBRKLGCFYFMRG-VIFPVBQESA-N 0 0 220.228 2.396 20 5 BEBDRN COC[C@H](C)Oc1cc([N+](=O)[O-])c(F)cc1F ZINC001226191548 974825776 /nfs/dbraw/zinc/82/57/76/974825776.db2.gz QHMFUSANHVTWJT-LURJTMIESA-N 0 0 247.197 2.287 20 5 BEBDRN CC[C@@H](COC)Oc1c(O)cccc1[N+](=O)[O-] ZINC001226334769 974863445 /nfs/dbraw/zinc/86/34/45/974863445.db2.gz YOVLZKSRAKMFQU-QMMMGPOBSA-N 0 0 241.243 2.104 20 5 BEBDRN C[C@H](Oc1cc[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC001226428023 974895838 /nfs/dbraw/zinc/89/58/38/974895838.db2.gz GOYRSZBTLKMRQG-QMMMGPOBSA-N 0 0 233.227 2.458 20 5 BEBDRN O=[N+]([O-])c1ccc2ncnc(OC3CCC3)c2c1 ZINC001226436998 974899211 /nfs/dbraw/zinc/89/92/11/974899211.db2.gz RDBFUOPZNDTQBM-UHFFFAOYSA-N 0 0 245.238 2.469 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2CC(F)(F)C2)cn1 ZINC001226710507 975043043 /nfs/dbraw/zinc/04/30/43/975043043.db2.gz QTPHFUMWFHVKEP-UHFFFAOYSA-N 0 0 230.170 2.166 20 5 BEBDRN CC[C@H](Oc1ncc([N+](=O)[O-])cn1)C(C)C ZINC001226734194 975051304 /nfs/dbraw/zinc/05/13/04/975051304.db2.gz VVQNXZNRHVIDGE-VIFPVBQESA-N 0 0 225.248 2.198 20 5 BEBDRN C[C@@H]1CCC[C@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226734004 975051395 /nfs/dbraw/zinc/05/13/95/975051395.db2.gz VOLCYPXVHSPTHX-SCZZXKLOSA-N 0 0 237.259 2.342 20 5 BEBDRN C[C@H]1CCCC[C@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226731210 975051900 /nfs/dbraw/zinc/05/19/00/975051900.db2.gz MDYTUGAMWCQGFF-WCBMZHEXSA-N 0 0 237.259 2.342 20 5 BEBDRN CC[C@@H](COC)Oc1ncc([N+](=O)[O-])cc1C ZINC001226761071 975062021 /nfs/dbraw/zinc/06/20/21/975062021.db2.gz FMPJXIZNFJQAFZ-JTQLQIEISA-N 0 0 240.259 2.102 20 5 BEBDRN CCOC[C@@H](C)Oc1ncc([N+](=O)[O-])cc1C ZINC001226762020 975063176 /nfs/dbraw/zinc/06/31/76/975063176.db2.gz PQFBZNMXFRAWPA-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN CC[C@@H](C)Oc1ncc([N+](=O)[O-])cc1C ZINC001226762428 975063209 /nfs/dbraw/zinc/06/32/09/975063209.db2.gz UPRGEZWEVHKZAR-MRVPVSSYSA-N 0 0 210.233 2.476 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1O[C@H]1C=CCC1 ZINC001226765564 975065552 /nfs/dbraw/zinc/06/55/52/975065552.db2.gz SKZGVHIQXFASID-JTQLQIEISA-N 0 0 220.228 2.396 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1O[C@@H]1COC[C@H]1F ZINC001226969524 975195163 /nfs/dbraw/zinc/19/51/63/975195163.db2.gz PWXDZEIAAQDLBK-PSASIEDQSA-N 0 0 241.218 2.019 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1O[C@H]1COC[C@@H]1C ZINC001226995135 975213566 /nfs/dbraw/zinc/21/35/66/975213566.db2.gz LYBLSMNAZLWONG-CABZTGNLSA-N 0 0 237.255 2.317 20 5 BEBDRN CC[C@@H](COC)Oc1nc(C)ccc1[N+](=O)[O-] ZINC001227062204 975247637 /nfs/dbraw/zinc/24/76/37/975247637.db2.gz IYVGZZLSHHVNOF-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1ncccc1Cl)C1CC1 ZINC001227119749 975285787 /nfs/dbraw/zinc/28/57/87/975285787.db2.gz YOPHCTJXRMTXMT-VIFPVBQESA-N 0 0 242.662 2.169 20 5 BEBDRN O=[N+]([O-])C1C[C@H]1c1nnc(-c2ccccc2F)o1 ZINC001333091473 975410024 /nfs/dbraw/zinc/41/00/24/975410024.db2.gz JFUNHCFBORFUSK-VXNVDRBHSA-N 0 0 249.201 2.008 20 5 BEBDRN C[C@H]1COCC[C@H]1Oc1ccccc1[N+](=O)[O-] ZINC001227484594 975469089 /nfs/dbraw/zinc/46/90/89/975469089.db2.gz SRWCFKYFAFFTRB-GXSJLCMTSA-N 0 0 237.255 2.399 20 5 BEBDRN O=C1CCCC[C@H]1Oc1ccccc1[N+](=O)[O-] ZINC001227484178 975469325 /nfs/dbraw/zinc/46/93/25/975469325.db2.gz KPEWYTVXGDPYMI-GFCCVEGCSA-N 0 0 235.239 2.485 20 5 BEBDRN O=[N+]([O-])c1ccccc1O[C@H]1CCn2ccnc21 ZINC001227483195 975469675 /nfs/dbraw/zinc/46/96/75/975469675.db2.gz SKZMDDAFFQIHQJ-NSHDSACASA-N 0 0 245.238 2.315 20 5 BEBDRN C[C@@H](Oc1ccn(C)n1)c1ccccc1[N+](=O)[O-] ZINC001227685800 975609151 /nfs/dbraw/zinc/60/91/51/975609151.db2.gz XRHMFLHRPIGZLY-SECBINFHSA-N 0 0 247.254 2.468 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1OC[C@@H](C)OC ZINC001227701598 975632080 /nfs/dbraw/zinc/63/20/80/975632080.db2.gz NKCUBUDUNOWKNA-MRVPVSSYSA-N 0 0 241.243 2.017 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1OC1COC1 ZINC001228002386 975842817 /nfs/dbraw/zinc/84/28/17/975842817.db2.gz MZGQIOFFRFIARX-UHFFFAOYSA-N 0 0 229.619 2.026 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1OC[C@@H]1CCO1 ZINC001228002932 975844432 /nfs/dbraw/zinc/84/44/32/975844432.db2.gz SXEXMWLOQIJKFY-ZETCQYMHSA-N 0 0 243.646 2.416 20 5 BEBDRN C[C@H](O)Cc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC001334005017 976211932 /nfs/dbraw/zinc/21/19/32/976211932.db2.gz BLFDXQZRWYZACE-QMMMGPOBSA-N 0 0 248.238 2.173 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[C@H]1C ZINC001334216033 976383616 /nfs/dbraw/zinc/38/36/16/976383616.db2.gz WHYLOMSAKVBLPF-VXNVDRBHSA-N 0 0 237.259 2.209 20 5 BEBDRN C[C@@H]1CCCC[C@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228658581 976412441 /nfs/dbraw/zinc/41/24/41/976412441.db2.gz YWVUBTVVQPZQRA-PSASIEDQSA-N 0 0 237.259 2.342 20 5 BEBDRN CCCC[C@@H](C)Oc1ncncc1[N+](=O)[O-] ZINC001228656615 976412756 /nfs/dbraw/zinc/41/27/56/976412756.db2.gz GOAQJQFUBLUXCG-MRVPVSSYSA-N 0 0 225.248 2.342 20 5 BEBDRN CC[C@@H](CO)Sc1cccc([N+](=O)[O-])c1 ZINC001334309594 976436468 /nfs/dbraw/zinc/43/64/68/976436468.db2.gz QEDWBASJSURZRV-VIFPVBQESA-N 0 0 227.285 2.458 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC[C@@H](O)C2CC2)s1 ZINC001334336103 976455524 /nfs/dbraw/zinc/45/55/24/976455524.db2.gz MMMQQYMXUVFHAP-MRVPVSSYSA-N 0 0 242.300 2.229 20 5 BEBDRN Cc1cc(OC2CCOCC2)cc([N+](=O)[O-])c1 ZINC001228833873 976511800 /nfs/dbraw/zinc/51/18/00/976511800.db2.gz TVBUMLXMYBYDPJ-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cc(OC2CC(=O)C2)cc([N+](=O)[O-])c1 ZINC001228838135 976515685 /nfs/dbraw/zinc/51/56/85/976515685.db2.gz MSPMKTKRTIFSRD-UHFFFAOYSA-N 0 0 221.212 2.014 20 5 BEBDRN O=[N+]([O-])c1ccncc1OC1CCSCC1 ZINC001228879865 976547462 /nfs/dbraw/zinc/54/74/62/976547462.db2.gz MHOZLXCJYZQUNW-UHFFFAOYSA-N 0 0 240.284 2.264 20 5 BEBDRN O=[N+]([O-])c1ccncc1O[C@@H]1C=CCC1 ZINC001228880972 976549262 /nfs/dbraw/zinc/54/92/62/976549262.db2.gz BYECRAUPTFYYPQ-MRVPVSSYSA-N 0 0 206.201 2.087 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1O[C@@H]1COC[C@H]1F ZINC001228915417 976573946 /nfs/dbraw/zinc/57/39/46/976573946.db2.gz CUYAJZQHDUNQED-MWLCHTKSSA-N 0 0 241.218 2.019 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1ccc(C2CC2)cn1)C1CC1 ZINC001228999893 976634432 /nfs/dbraw/zinc/63/44/32/976634432.db2.gz FNVIHJBTJJGARE-GFCCVEGCSA-N 0 0 248.282 2.393 20 5 BEBDRN O=c1[nH]cccc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174475603 976792902 /nfs/dbraw/zinc/79/29/02/976792902.db2.gz MHMOCFCMVHJAHX-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cccc(CO)n2)cc1 ZINC001174477437 976795172 /nfs/dbraw/zinc/79/51/72/976795172.db2.gz MHFIKRAICQHLGM-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN C[C@@H](Oc1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC001229397261 976856732 /nfs/dbraw/zinc/85/67/32/976856732.db2.gz FQNATUHQJWYAJW-SSDOTTSWSA-N 0 0 223.228 2.478 20 5 BEBDRN CC[C@H](Oc1cc[n+]([O-])cc1[N+](=O)[O-])C(C)C ZINC001229455861 976877267 /nfs/dbraw/zinc/87/72/67/976877267.db2.gz MZEQSDLVHLVXLE-JTQLQIEISA-N 0 0 240.259 2.042 20 5 BEBDRN O=[N+]([O-])c1cc(OC[C@H]2CCO2)ccc1Cl ZINC001229962219 977037671 /nfs/dbraw/zinc/03/76/71/977037671.db2.gz UBKWDPQIMMMLIQ-MRVPVSSYSA-N 0 0 243.646 2.416 20 5 BEBDRN Cc1ccc(C)c([N+](=O)[O-])c1OC[C@H]1CCO1 ZINC001231060346 977455452 /nfs/dbraw/zinc/45/54/52/977455452.db2.gz NZRQZHFEJXCGGE-SNVBAGLBSA-N 0 0 237.255 2.379 20 5 BEBDRN Cn1cnc(Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC001175734418 977668302 /nfs/dbraw/zinc/66/83/02/977668302.db2.gz IZVXZOUPKOFBNS-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN Cn1ccc(Nc2cc([N+](=O)[O-])ccc2F)n1 ZINC001175735080 977670009 /nfs/dbraw/zinc/67/00/09/977670009.db2.gz RTYKHGZTQCZHIM-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1F ZINC001336528431 977752112 /nfs/dbraw/zinc/75/21/12/977752112.db2.gz XJZPZRVEZHXLMZ-SVRRBLITSA-N 0 0 242.181 2.030 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1F ZINC001336527970 977752817 /nfs/dbraw/zinc/75/28/17/977752817.db2.gz UKTHLOMEZTXNEY-RKDXNWHRSA-N 0 0 238.218 2.200 20 5 BEBDRN COc1ccc(Nc2ncccn2)cc1[N+](=O)[O-] ZINC001176359484 978047827 /nfs/dbraw/zinc/04/78/27/978047827.db2.gz HUBAVQWGKOHALR-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN COc1ccc(Nc2cnn(C)c2)cc1[N+](=O)[O-] ZINC001176360392 978048820 /nfs/dbraw/zinc/04/88/20/978048820.db2.gz XKYPSWLBHJDSSE-UHFFFAOYSA-N 0 0 248.242 2.081 20 5 BEBDRN COc1ccc(Nc2ccnn2C)cc1[N+](=O)[O-] ZINC001176359060 978050376 /nfs/dbraw/zinc/05/03/76/978050376.db2.gz BQHNVQWBYYIJER-UHFFFAOYSA-N 0 0 248.242 2.081 20 5 BEBDRN CC[C@@H]1C[C@H]1CNc1cc(N)c([N+](=O)[O-])cn1 ZINC001337894109 978555282 /nfs/dbraw/zinc/55/52/82/978555282.db2.gz IBANURXKOUGZOX-SFYZADRCSA-N 0 0 236.275 2.030 20 5 BEBDRN Cc1noc(N[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC001337953805 978573867 /nfs/dbraw/zinc/57/38/67/978573867.db2.gz HFQRLVDHZJESAK-SSDOTTSWSA-N 0 0 248.242 2.459 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(NCCC(F)F)c1 ZINC001338299508 978656107 /nfs/dbraw/zinc/65/61/07/978656107.db2.gz QSCNQLVUZNABRR-UHFFFAOYSA-N 0 0 231.202 2.244 20 5 BEBDRN CC(=O)[C@H](C)Oc1cc(F)c([N+](=O)[O-])c(F)c1 ZINC001233753539 978688079 /nfs/dbraw/zinc/68/80/79/978688079.db2.gz MFFWEABHHCRQNZ-LURJTMIESA-N 0 0 245.181 2.229 20 5 BEBDRN CCc1cccnc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001234576470 978863194 /nfs/dbraw/zinc/86/31/94/978863194.db2.gz AODJONVSQZOZHS-NSHDSACASA-N 0 0 236.271 2.078 20 5 BEBDRN C[C@H](CNc1cc(N)c([N+](=O)[O-])cn1)C1CC1 ZINC001339547366 978869193 /nfs/dbraw/zinc/86/91/93/978869193.db2.gz POIOJDHVSCUBEX-SSDOTTSWSA-N 0 0 236.275 2.030 20 5 BEBDRN C[C@@H](Nc1cc(N)c([N+](=O)[O-])cn1)C1CCC1 ZINC001339627728 978883235 /nfs/dbraw/zinc/88/32/35/978883235.db2.gz MOYDDCMLFBVVRL-SSDOTTSWSA-N 0 0 236.275 2.173 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(O[C@@H](C)C(C)C)n1 ZINC001234880198 978923130 /nfs/dbraw/zinc/92/31/30/978923130.db2.gz YHQIHSDQCCNMKS-QMMMGPOBSA-N 0 0 240.259 2.422 20 5 BEBDRN CC[C@H](COC)Oc1c(C)nccc1[N+](=O)[O-] ZINC001234901653 978927892 /nfs/dbraw/zinc/92/78/92/978927892.db2.gz PNWMDANWTHOMDU-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1CC(F)(F)C1 ZINC001340129064 978975116 /nfs/dbraw/zinc/97/51/16/978975116.db2.gz RYQFEAAPQRMSDX-UHFFFAOYSA-N 0 0 220.200 2.112 20 5 BEBDRN COCc1nnc(-c2cc(C)cc([N+](=O)[O-])c2)o1 ZINC001341654293 979512674 /nfs/dbraw/zinc/51/26/74/979512674.db2.gz OVRPVEUQIBACFU-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1C[C@@H]1F ZINC001341869154 979580614 /nfs/dbraw/zinc/58/06/14/979580614.db2.gz KVZITYBIXQHMOF-BDAKNGLRSA-N 0 0 239.202 2.167 20 5 BEBDRN CCc1cc(Nc2ccc([N+](=O)[O-])nc2)on1 ZINC001203569181 979835573 /nfs/dbraw/zinc/83/55/73/979835573.db2.gz WQUHSWQXGBIRID-UHFFFAOYSA-N 0 0 234.215 2.284 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(N[C@H]2CCC[C@@H](F)C2)n1 ZINC001186821752 980447518 /nfs/dbraw/zinc/44/75/18/980447518.db2.gz MLVRCZHMVGELNC-SFYZADRCSA-N 0 0 242.254 2.021 20 5 BEBDRN COC(=O)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC001188311199 980633384 /nfs/dbraw/zinc/63/33/84/980633384.db2.gz NVUHUPMDNCFRMY-UHFFFAOYSA-N 0 0 211.173 2.048 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(Cl)o1 ZINC001345693749 980674321 /nfs/dbraw/zinc/67/43/21/980674321.db2.gz JVBWRDIMYQHHDX-LURJTMIESA-N 0 0 247.634 2.145 20 5 BEBDRN CCCN(C)c1c(C)cncc1[N+](=O)[O-] ZINC001346036206 980734619 /nfs/dbraw/zinc/73/46/19/980734619.db2.gz WCMVQYOLURYYOD-UHFFFAOYSA-N 0 0 209.249 2.144 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cc(C)c(C)o1 ZINC001346195665 980780457 /nfs/dbraw/zinc/78/04/57/980780457.db2.gz AQFZMSWUNVDSBW-VIFPVBQESA-N 0 0 241.243 2.109 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C(C1CC1)C1CC1 ZINC001346196990 980781957 /nfs/dbraw/zinc/78/19/57/980781957.db2.gz JHZZGVUDQWAWMX-JTQLQIEISA-N 0 0 241.287 2.021 20 5 BEBDRN CCC(CC)C(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001346197840 980783148 /nfs/dbraw/zinc/78/31/48/980783148.db2.gz OCYHZLGHFRABHV-VIFPVBQESA-N 0 0 217.265 2.021 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)C[C@@H](OCC1CC1)C2 ZINC001205533977 980885758 /nfs/dbraw/zinc/88/57/58/980885758.db2.gz KILBQCJYQPCFFH-ZDUSSCGKSA-N 0 0 233.267 2.489 20 5 BEBDRN CC1CCC(C)(C(=O)OCCC[N+](=O)[O-])CC1 ZINC001346916032 980934017 /nfs/dbraw/zinc/93/40/17/980934017.db2.gz CETCABGXKOJYAR-UHFFFAOYSA-N 0 0 243.303 2.413 20 5 BEBDRN Cc1nc(NCC2=CCCC2)ncc1[N+](=O)[O-] ZINC001347271864 981025773 /nfs/dbraw/zinc/02/57/73/981025773.db2.gz UINJQHZMAOTHOD-UHFFFAOYSA-N 0 0 234.259 2.215 20 5 BEBDRN C[C@H](COC(=O)[C@H]1CCC=CCCC1)[N+](=O)[O-] ZINC001348532991 981384184 /nfs/dbraw/zinc/38/41/84/981384184.db2.gz HFQQCMLSNDAYJG-MNOVXSKESA-N 0 0 241.287 2.331 20 5 BEBDRN C=CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000158872616 981508845 /nfs/dbraw/zinc/50/88/45/981508845.db2.gz CHKLAYSIRICNRO-UHFFFAOYSA-N 0 0 220.228 2.336 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C1=C(C)CCC1 ZINC001349805029 981749024 /nfs/dbraw/zinc/74/90/24/981749024.db2.gz DXEVBNKPKHJNNR-SECBINFHSA-N 0 0 227.260 2.085 20 5 BEBDRN Cc1cc(Nc2cc(O)cc([N+](=O)[O-])c2)on1 ZINC001199800989 983020687 /nfs/dbraw/zinc/02/06/87/983020687.db2.gz MQMWFRQUBCYNJH-UHFFFAOYSA-N 0 0 235.199 2.340 20 5 BEBDRN Nc1cncc(Nc2cc(O)cc([N+](=O)[O-])c2)c1 ZINC001199814554 983023338 /nfs/dbraw/zinc/02/33/38/983023338.db2.gz KOJLKMMFBCGQHJ-UHFFFAOYSA-N 0 0 246.226 2.021 20 5 BEBDRN Cc1cnn(C)c1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199815227 983024450 /nfs/dbraw/zinc/02/44/50/983024450.db2.gz WYFBVGRXUNYDDB-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1C[C@@H]1F ZINC001354121488 983162365 /nfs/dbraw/zinc/16/23/65/983162365.db2.gz YNINEVAWKQKVOE-XPUUQOCRSA-N 0 0 242.181 2.030 20 5 BEBDRN O=C(NC/C=C/Cl)c1ccc([N+](=O)[O-])s1 ZINC001439927888 984395599 /nfs/dbraw/zinc/39/55/99/984395599.db2.gz XDMZRCFJLFQRGO-DAFODLJHSA-N 0 0 246.675 2.139 20 5 BEBDRN COc1ccc(Oc2ccncc2[N+](=O)[O-])cn1 ZINC001458503052 985321982 /nfs/dbraw/zinc/32/19/82/985321982.db2.gz LDKSZURQZOOKQK-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN O=[N+]([O-])c1ccccc1OCCc1cnoc1 ZINC001458822041 985355761 /nfs/dbraw/zinc/35/57/61/985355761.db2.gz UHHWYFXHVQYSOK-UHFFFAOYSA-N 0 0 234.211 2.204 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2cn(CCF)cn2)cc1 ZINC001459303977 985436988 /nfs/dbraw/zinc/43/69/88/985436988.db2.gz RWKCIVADPVHGJH-UHFFFAOYSA-N 0 0 235.218 2.428 20 5 BEBDRN O=[N+]([O-])c1ncccc1N[C@@H]1COC2(CCC2)C1 ZINC000688316276 985609478 /nfs/dbraw/zinc/60/94/78/985609478.db2.gz RVKPYUSKLLYLTG-VIFPVBQESA-N 0 0 249.270 2.113 20 5 BEBDRN CCCc1nnc(-c2cc([N+](=O)[O-])cnc2C)o1 ZINC001254000347 986462578 /nfs/dbraw/zinc/46/25/78/986462578.db2.gz KCKLVCATXFWYKB-UHFFFAOYSA-N 0 0 248.242 2.301 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NC1CSC1 ZINC000702354380 986861426 /nfs/dbraw/zinc/86/14/26/986861426.db2.gz XQAAUEDFGBOUOG-UHFFFAOYSA-N 0 0 224.285 2.431 20 5 BEBDRN COc1ccc(Nc2c([N+](=O)[O-])cnn2C)cc1 ZINC001472640225 987257378 /nfs/dbraw/zinc/25/73/78/987257378.db2.gz BROPNFVYSHFKIP-UHFFFAOYSA-N 0 0 248.242 2.081 20 5 BEBDRN C[C@@H]1C[C@H]1c1nnc(-c2ccc([N+](=O)[O-])cn2)o1 ZINC001256710275 987267412 /nfs/dbraw/zinc/26/74/12/987267412.db2.gz SWBOCGLXSVQVAU-HTRCEHHLSA-N 0 0 246.226 2.163 20 5 BEBDRN CC[C@H](C)CSc1nn(C)cc1[N+](=O)[O-] ZINC001472728378 987268232 /nfs/dbraw/zinc/26/82/32/987268232.db2.gz HLTWOGOMRDGXFU-ZETCQYMHSA-N 0 0 229.305 2.467 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1C[C@H]2CCCC[C@H]21 ZINC001472823433 987289103 /nfs/dbraw/zinc/28/91/03/987289103.db2.gz GIXXQYZOPIVPQB-NXEZZACHSA-N 0 0 233.271 2.369 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2nnc(CC3CC3)o2)o1 ZINC001117226170 987803648 /nfs/dbraw/zinc/80/36/48/987803648.db2.gz WJTUVRGAFNTGAG-UHFFFAOYSA-N 0 0 235.199 2.190 20 5 BEBDRN Cc1ccoc1CNc1c(C)cncc1[N+](=O)[O-] ZINC001117674519 987861961 /nfs/dbraw/zinc/86/19/61/987861961.db2.gz JHDINVJUPSLLFI-UHFFFAOYSA-N 0 0 247.254 2.234 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001117943357 987962034 /nfs/dbraw/zinc/96/20/34/987962034.db2.gz UFTMQHICJSIJDP-OUAUKWLOSA-N 0 0 247.298 2.321 20 5 BEBDRN CC(C)c1nnc(-c2ccc([N+](=O)[O-])o2)o1 ZINC001322091529 988109998 /nfs/dbraw/zinc/10/99/98/988109998.db2.gz LYFUBSXHILAMIJ-UHFFFAOYSA-N 0 0 223.188 2.361 20 5 BEBDRN CC[C@@H](F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001515537330 989062316 /nfs/dbraw/zinc/06/23/16/989062316.db2.gz IZXUUOLYPFPJAZ-SECBINFHSA-N 0 0 226.207 2.281 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1ncccc1N ZINC001248747013 989141578 /nfs/dbraw/zinc/14/15/78/989141578.db2.gz ROOJVFKFZHQIGU-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@H]1CC[C@@H](C)C1 ZINC001517191495 989206771 /nfs/dbraw/zinc/20/67/71/989206771.db2.gz CNNHQQFEXUTVDE-OUAUKWLOSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001517180562 989207906 /nfs/dbraw/zinc/20/79/06/989207906.db2.gz WLPQLPONGFHYFF-DCAQKATOSA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC[C@H]1C ZINC001517179284 989208463 /nfs/dbraw/zinc/20/84/63/989208463.db2.gz LDVRWVSFTAIOIW-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1sccc1F ZINC001517178832 989209769 /nfs/dbraw/zinc/20/97/69/989209769.db2.gz IWFYJSSFPSYYKS-LURJTMIESA-N 0 0 247.247 2.099 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1ccc[nH]c1=O ZINC001249544113 989300795 /nfs/dbraw/zinc/30/07/95/989300795.db2.gz FFIJZSCGFCNKGE-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1c(Nc2cc([N+](=O)[O-])cnc2C)ncn1C ZINC001249544189 989302380 /nfs/dbraw/zinc/30/23/80/989302380.db2.gz BYFRLUFLQCZSDA-UHFFFAOYSA-N 0 0 247.258 2.084 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@]1(C)CC=CCC1 ZINC001520098970 989506633 /nfs/dbraw/zinc/50/66/33/989506633.db2.gz BLSFJQYMUJLGNA-CMPLNLGQSA-N 0 0 241.287 2.331 20 5 BEBDRN CCC(CC)CC(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001520099533 989506816 /nfs/dbraw/zinc/50/68/16/989506816.db2.gz QWYGANFZMFJNPN-SNVBAGLBSA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@@H](C)CCC(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001520099167 989507050 /nfs/dbraw/zinc/50/70/50/989507050.db2.gz GVFJBNGFJDKXJO-NXEZZACHSA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@@H](C)CCC(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001520099170 989508577 /nfs/dbraw/zinc/50/85/77/989508577.db2.gz GVFJBNGFJDKXJO-ZJUUUORDSA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@]1(C)CC=CCC1 ZINC001520098976 989508819 /nfs/dbraw/zinc/50/88/19/989508819.db2.gz BLSFJQYMUJLGNA-ZYHUDNBSSA-N 0 0 241.287 2.331 20 5 BEBDRN CCC(CC)CC(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001520099532 989509727 /nfs/dbraw/zinc/50/97/27/989509727.db2.gz QWYGANFZMFJNPN-JTQLQIEISA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@@H](F)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001120822063 989904664 /nfs/dbraw/zinc/90/46/64/989904664.db2.gz NIQPZTLBSWFBNS-SSDOTTSWSA-N 0 0 244.197 2.421 20 5 BEBDRN Cc1c(NC(=O)C(F)F)c(F)ccc1[N+](=O)[O-] ZINC001524336937 989996718 /nfs/dbraw/zinc/99/67/18/989996718.db2.gz NMSCHDVJOVTCPH-UHFFFAOYSA-N 0 0 248.160 2.246 20 5 BEBDRN CC[C@@H](F)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001121047504 990003078 /nfs/dbraw/zinc/00/30/78/990003078.db2.gz QINATACPNHCBPV-SNVBAGLBSA-N 0 0 241.218 2.386 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CC[C@@H](C)C1 ZINC001526649677 990168809 /nfs/dbraw/zinc/16/88/09/990168809.db2.gz RQWPJDWUNHMMDO-KXUCPTDWSA-N 0 0 229.276 2.021 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001123122724 990513227 /nfs/dbraw/zinc/51/32/27/990513227.db2.gz MEKKERPDYREQIX-RTCCRHLQSA-N 0 0 241.287 2.023 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CSC(C)(C)C ZINC001123355600 990557997 /nfs/dbraw/zinc/55/79/97/990557997.db2.gz TVYXUIQAXGNMPU-MRVPVSSYSA-N 0 0 249.332 2.117 20 5 BEBDRN C=C=CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001556751368 990852134 /nfs/dbraw/zinc/85/21/34/990852134.db2.gz VJYDEOOASYBMRP-JTQLQIEISA-N 0 0 246.266 2.156 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1C[C@H](C)[C@H](C)C1 ZINC001258098632 991005470 /nfs/dbraw/zinc/00/54/70/991005470.db2.gz XECQPGTVVFOXEH-AOOOYVTPSA-N 0 0 235.287 2.390 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(Oc2ccc(F)cc2)n1 ZINC001559053996 991029570 /nfs/dbraw/zinc/02/95/70/991029570.db2.gz UBTWSRZMTKEZJF-UHFFFAOYSA-N 0 0 237.190 2.260 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2ccnc(F)c2)cn1 ZINC001559248171 991058276 /nfs/dbraw/zinc/05/82/76/991058276.db2.gz ILBAKOAKMQMVRE-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN Cc1nccnc1COc1ccc([N+](=O)[O-])cc1 ZINC001559326878 991072805 /nfs/dbraw/zinc/07/28/05/991072805.db2.gz CEFLLAKTSHDRFZ-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN CC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001559357819 991080418 /nfs/dbraw/zinc/08/04/18/991080418.db2.gz MBRPPCBFMQPHBJ-UHFFFAOYSA-N 0 0 245.238 2.042 20 5 BEBDRN CSCCOc1ccsc1[N+](=O)[O-] ZINC001559414008 991098970 /nfs/dbraw/zinc/09/89/70/991098970.db2.gz KRLZALYJVIRYHZ-UHFFFAOYSA-N 0 0 219.287 2.398 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)/C=C/c1ccccc1 ZINC001263623605 993430360 /nfs/dbraw/zinc/43/03/60/993430360.db2.gz VNNNPQDETKPXBT-BCPZQOPPSA-N 0 0 249.266 2.298 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)/C=C/c1ccccc1 ZINC001263623606 993430556 /nfs/dbraw/zinc/43/05/56/993430556.db2.gz VNNNPQDETKPXBT-IDVQTMNDSA-N 0 0 249.266 2.298 20 5 BEBDRN Cc1nc(NCc2ccccc2)ncc1[N+](=O)[O-] ZINC001306914260 995270486 /nfs/dbraw/zinc/27/04/86/995270486.db2.gz OHGKUDOPHBKNLD-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN O=[N+]([O-])c1nccn1Cc1ccccc1CF ZINC001307385000 995340668 /nfs/dbraw/zinc/34/06/68/995340668.db2.gz DGZOOSFTRPUWPC-UHFFFAOYSA-N 0 0 235.218 2.309 20 5 BEBDRN O=[N+]([O-])c1cccc(Oc2cnc(F)cn2)c1 ZINC001611736024 1170082202 /nfs/dbraw/zinc/08/22/02/1170082202.db2.gz XXNLXZIUTGSVJQ-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN Cn1cc(Nc2cccc([N+](=O)[O-])c2)cn1 ZINC000035781568 1170195703 /nfs/dbraw/zinc/19/57/03/1170195703.db2.gz XNVCZJXERQDDHS-UHFFFAOYSA-N 0 0 218.216 2.072 20 5 BEBDRN C=C/C=C\CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001610969133 1170425761 /nfs/dbraw/zinc/42/57/61/1170425761.db2.gz DUKRMEZTAZNFEI-ARJAWSKDSA-N 0 0 246.266 2.457 20 5 BEBDRN O=c1sccn1/C=C\c1ccc([N+](=O)[O-])o1 ZINC001613565602 1170479624 /nfs/dbraw/zinc/47/96/24/1170479624.db2.gz GXJPJAPZSFSANV-ARJAWSKDSA-N 0 0 238.224 2.039 20 5 BEBDRN Cc1nnc(-c2cc(C)ccc2[N+](=O)[O-])o1 ZINC000039643614 1170498705 /nfs/dbraw/zinc/49/87/05/1170498705.db2.gz CUYZGKMQRRVQBY-UHFFFAOYSA-N 0 0 219.200 2.262 20 5 BEBDRN CCC[C@H](CC)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001634603631 1171665853 /nfs/dbraw/zinc/66/58/53/1171665853.db2.gz BRQXHNZXDUQHME-ZETCQYMHSA-N 0 0 240.263 2.083 20 5 BEBDRN CCC(CC)(CO)Nc1ncc([N+](=O)[O-])s1 ZINC000189685958 168329569 /nfs/dbraw/zinc/32/95/69/168329569.db2.gz JGDMXWBYLSHGDN-UHFFFAOYSA-N 0 0 245.304 2.014 20 5 BEBDRN Cc1cc(CNCc2ccc([N+](=O)[O-])cc2)on1 ZINC000044986112 178026049 /nfs/dbraw/zinc/02/60/49/178026049.db2.gz YWYZCIPAKMCEOD-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN Cc1cc(N(C)Cc2ncc[nH]2)ccc1[N+](=O)[O-] ZINC000356868312 178099928 /nfs/dbraw/zinc/09/99/28/178099928.db2.gz SXZVDDGTAXVNPM-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN CCCN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344210759 398196130 /nfs/dbraw/zinc/19/61/30/398196130.db2.gz LIQSBIJYEQJKBS-UHFFFAOYSA-N 0 0 240.234 2.216 20 5 BEBDRN COCc1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000266035156 398209190 /nfs/dbraw/zinc/20/91/90/398209190.db2.gz SUHGDWYMHXIUPF-UHFFFAOYSA-N 0 0 236.271 2.341 20 5 BEBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)[C@@H](C)[C@H]1C ZINC000576331617 365568097 /nfs/dbraw/zinc/56/80/97/365568097.db2.gz MHGXQEDJTSGTFW-UTLUCORTSA-N 0 0 235.287 2.471 20 5 BEBDRN Cc1cc(NC[C@@H](O)C(C)C)ccc1[N+](=O)[O-] ZINC000092656723 178165692 /nfs/dbraw/zinc/16/56/92/178165692.db2.gz GHUGSNMLPIYBLG-GFCCVEGCSA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1cc(NCCCCO)ccc1[N+](=O)[O-] ZINC000201294390 178159404 /nfs/dbraw/zinc/15/94/04/178159404.db2.gz OWAIHOWWOLULOD-UHFFFAOYSA-N 0 0 224.260 2.088 20 5 BEBDRN Cc1cc(NCC[C@H](C)O)ccc1[N+](=O)[O-] ZINC000059538848 178162901 /nfs/dbraw/zinc/16/29/01/178162901.db2.gz WNWOGVJNZKBCFV-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cc(NCCn2ccnc2)ccc1[N+](=O)[O-] ZINC000041065941 178163063 /nfs/dbraw/zinc/16/30/63/178163063.db2.gz OHLQYZVQOUVXHG-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN Cc1cc(NCCc2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000291273857 178163472 /nfs/dbraw/zinc/16/34/72/178163472.db2.gz ZYTCQLXASYIOSK-UHFFFAOYSA-N 0 0 246.270 2.281 20 5 BEBDRN Cc1cc(NCc2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000041160108 178174685 /nfs/dbraw/zinc/17/46/85/178174685.db2.gz JFNXSNBFQUNPSB-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cc(N[C@@H]2C=C[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000356750458 178180769 /nfs/dbraw/zinc/18/07/69/178180769.db2.gz ZGYFPSLUSBVYKC-ZYHUDNBSSA-N 0 0 248.282 2.252 20 5 BEBDRN Cc1cc(N[C@H](C)c2ccon2)ncc1[N+](=O)[O-] ZINC000341933057 178186836 /nfs/dbraw/zinc/18/68/36/178186836.db2.gz USQKEXDNQDTLPT-MRVPVSSYSA-N 0 0 248.242 2.459 20 5 BEBDRN Cc1cc(OC[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000330793970 178212270 /nfs/dbraw/zinc/21/22/70/178212270.db2.gz DAUQQLWMVIWZRR-SNVBAGLBSA-N 0 0 237.255 2.319 20 5 BEBDRN CS[C@H](C)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000075875566 398230020 /nfs/dbraw/zinc/23/00/20/398230020.db2.gz CORXPISPDWVQPI-SSDOTTSWSA-N 0 0 241.268 2.252 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCC(C)(C)O ZINC000114886321 178272635 /nfs/dbraw/zinc/27/26/35/178272635.db2.gz AOPADVIMQAIYNC-UHFFFAOYSA-N 0 0 225.244 2.053 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCO1 ZINC000036949141 178272673 /nfs/dbraw/zinc/27/26/73/178272673.db2.gz PGHLPLFPEDIYDC-LLVKDONJSA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)[C@H](C)CO ZINC000158677830 178272812 /nfs/dbraw/zinc/27/28/12/178272812.db2.gz KSIVWTUEPOWALX-ZJUUUORDSA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NCCOC(C)C ZINC000168657694 178273581 /nfs/dbraw/zinc/27/35/81/178273581.db2.gz QZJPZWZKMFOYDT-UHFFFAOYSA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)[C@H](C)C1 ZINC000267726161 178273774 /nfs/dbraw/zinc/27/37/74/178273774.db2.gz VLFBFSHPNLGXGJ-AOOOYVTPSA-N 0 0 235.287 2.390 20 5 BEBDRN O=[N+]([O-])c1ncccc1O[C@H]1C=CCCC1 ZINC000076609585 398243392 /nfs/dbraw/zinc/24/33/92/398243392.db2.gz AQGBFUSUIHIFQW-VIFPVBQESA-N 0 0 220.228 2.477 20 5 BEBDRN Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000293970899 178398021 /nfs/dbraw/zinc/39/80/21/178398021.db2.gz GPCRGTPBMIWGRV-ZJUUUORDSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1ccc(C(=O)N[C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000017804876 178420891 /nfs/dbraw/zinc/42/08/91/178420891.db2.gz PXLDRWOFCPQQRK-VIFPVBQESA-N 0 0 248.282 2.432 20 5 BEBDRN Cn1nccc1CNc1ccsc1[N+](=O)[O-] ZINC000309567131 342671199 /nfs/dbraw/zinc/67/11/99/342671199.db2.gz LHVQMIKMMXTWSQ-UHFFFAOYSA-N 0 0 238.272 2.002 20 5 BEBDRN O=[N+]([O-])c1cccnc1SCc1ccno1 ZINC000067807468 342830972 /nfs/dbraw/zinc/83/09/72/342830972.db2.gz RCCGRMWSAYRYOZ-UHFFFAOYSA-N 0 0 237.240 2.270 20 5 BEBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CCCO1 ZINC000608974398 342855726 /nfs/dbraw/zinc/85/57/26/342855726.db2.gz ZOWNXTSHOHKCKK-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000077227980 398307501 /nfs/dbraw/zinc/30/75/01/398307501.db2.gz BMELPPIUERPGHW-RKDXNWHRSA-N 0 0 224.260 2.024 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC000059895307 342874566 /nfs/dbraw/zinc/87/45/66/342874566.db2.gz QQNQSLRPIGHMNT-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN C[C@@H]1CN(c2ccsc2[N+](=O)[O-])CCCO1 ZINC000608973849 342856390 /nfs/dbraw/zinc/85/63/90/342856390.db2.gz KKKFQZXLBGWOLN-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN CC(C)CN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000045469569 342859106 /nfs/dbraw/zinc/85/91/06/342859106.db2.gz ZSASFBHVLFJIBZ-UHFFFAOYSA-N 0 0 236.271 2.323 20 5 BEBDRN CO[C@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000609075188 342859988 /nfs/dbraw/zinc/85/99/88/342859988.db2.gz SPACKTNJTHFRFG-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(NCC2CCC2)c1 ZINC000282192135 398316812 /nfs/dbraw/zinc/31/68/12/398316812.db2.gz KRWQKAKBNVBUJT-UHFFFAOYSA-N 0 0 221.260 2.389 20 5 BEBDRN CC[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000447070975 201706996 /nfs/dbraw/zinc/70/69/96/201706996.db2.gz VRFYOPVOQIOFKV-VIFPVBQESA-N 0 0 221.260 2.226 20 5 BEBDRN CC[C@@H](O)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000233904884 342897486 /nfs/dbraw/zinc/89/74/86/342897486.db2.gz NUAGVSXQAVIRAA-SSDOTTSWSA-N 0 0 246.213 2.056 20 5 BEBDRN CC[C@@H](C)CN(C)c1cccnc1[N+](=O)[O-] ZINC000609512700 342881075 /nfs/dbraw/zinc/88/10/75/342881075.db2.gz APACZKZXOIVMLO-SECBINFHSA-N 0 0 223.276 2.472 20 5 BEBDRN CN(Cc1cc[nH]n1)c1ccc([N+](=O)[O-])s1 ZINC000609564013 342883988 /nfs/dbraw/zinc/88/39/88/342883988.db2.gz NHDGCBFQBWTLCM-UHFFFAOYSA-N 0 0 238.272 2.016 20 5 BEBDRN C[C@@H]1C[C@@H](C)CN(c2ccncc2[N+](=O)[O-])C1 ZINC000604560337 398321839 /nfs/dbraw/zinc/32/18/39/398321839.db2.gz XLQALYDKFXCGCY-NXEZZACHSA-N 0 0 235.287 2.472 20 5 BEBDRN C[C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000604560326 398322011 /nfs/dbraw/zinc/32/20/11/398322011.db2.gz QJFVCABHUICBLV-VIFPVBQESA-N 0 0 221.260 2.226 20 5 BEBDRN CCN(CCC1CC1)c1ncc([N+](=O)[O-])cn1 ZINC000354603379 398323960 /nfs/dbraw/zinc/32/39/60/398323960.db2.gz YMTCYSFGWDYKPK-UHFFFAOYSA-N 0 0 236.275 2.011 20 5 BEBDRN CCOC(=O)c1c(C)ccc([N+](=O)[O-])c1C ZINC000309174165 342903080 /nfs/dbraw/zinc/90/30/80/342903080.db2.gz SVWIHBNYDVDVRW-UHFFFAOYSA-N 0 0 223.228 2.388 20 5 BEBDRN Cc1noc(/C=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000356963000 398328272 /nfs/dbraw/zinc/32/82/72/398328272.db2.gz OBKCMAMSKJLWFT-DAXSKMNVSA-N 0 0 231.211 2.457 20 5 BEBDRN CC[C@](C)(CNc1cccnc1[N+](=O)[O-])OC ZINC000322575717 344011609 /nfs/dbraw/zinc/01/16/09/344011609.db2.gz BSELLNOPVUPESF-LLVKDONJSA-N 0 0 239.275 2.217 20 5 BEBDRN Cc1ccc(NC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000043148668 342935775 /nfs/dbraw/zinc/93/57/75/342935775.db2.gz ANRUPUASRJRIPK-UHFFFAOYSA-N 0 0 235.243 2.187 20 5 BEBDRN C[C@@H]1C[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000136091559 398343318 /nfs/dbraw/zinc/34/33/18/398343318.db2.gz GEMPSVGDSVJGRD-SFYZADRCSA-N 0 0 207.233 2.058 20 5 BEBDRN Cc1ccc(C)c(Cn2cnc([N+](=O)[O-])c2)c1 ZINC000247947384 178477923 /nfs/dbraw/zinc/47/79/23/178477923.db2.gz WWWBUBYDKJJWPT-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CC(=O)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000602803256 349742830 /nfs/dbraw/zinc/74/28/30/349742830.db2.gz AUJIZOSORCWKIY-JTQLQIEISA-N 0 0 236.271 2.143 20 5 BEBDRN Cc1noc([C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000576858256 365705952 /nfs/dbraw/zinc/70/59/52/365705952.db2.gz AJSSFQYCCYVVEJ-ZETCQYMHSA-N 0 0 233.227 2.438 20 5 BEBDRN CC(C)[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000060249683 343293687 /nfs/dbraw/zinc/29/36/87/343293687.db2.gz ZBLWSUXDGAAUIA-ZETCQYMHSA-N 0 0 242.300 2.431 20 5 BEBDRN CC(C)CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000135011610 343420983 /nfs/dbraw/zinc/42/09/83/343420983.db2.gz OECJLUMSRJRGSJ-UHFFFAOYSA-N 0 0 240.234 2.120 20 5 BEBDRN C[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccon1 ZINC000349199461 136331235 /nfs/dbraw/zinc/33/12/35/136331235.db2.gz MFWLTEXGAQULSN-VIFPVBQESA-N 0 0 247.254 2.434 20 5 BEBDRN CC(C)C[C@@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310508834 343519659 /nfs/dbraw/zinc/51/96/59/343519659.db2.gz LEFFHQRCWWPCEO-MRVPVSSYSA-N 0 0 238.291 2.419 20 5 BEBDRN Cc1ccc(CCn2cnc([N+](=O)[O-])c2)cc1 ZINC000126834322 178540387 /nfs/dbraw/zinc/54/03/87/178540387.db2.gz UKNKUKIWJUXSEQ-UHFFFAOYSA-N 0 0 231.255 2.342 20 5 BEBDRN CC(C)CCN(C)c1ccc([N+](=O)[O-])nc1 ZINC000076872352 343564431 /nfs/dbraw/zinc/56/44/31/343564431.db2.gz IPPGKHDQNXXLSO-UHFFFAOYSA-N 0 0 223.276 2.472 20 5 BEBDRN O=C(NCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000049379752 343596751 /nfs/dbraw/zinc/59/67/51/343596751.db2.gz USCGVJPKTBTNCL-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@@H]1C ZINC000049378138 343596827 /nfs/dbraw/zinc/59/68/27/343596827.db2.gz OLXBYDMXQQOKJE-UWVGGRQHSA-N 0 0 248.282 2.289 20 5 BEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000083726648 343660933 /nfs/dbraw/zinc/66/09/33/343660933.db2.gz AHYWJOIHFQMWGW-MRVPVSSYSA-N 0 0 224.260 2.166 20 5 BEBDRN CC1(C)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000334219415 343838518 /nfs/dbraw/zinc/83/85/18/343838518.db2.gz UNAKGDIACFTCSX-JTQLQIEISA-N 0 0 234.255 2.123 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1SCCCO ZINC000149395054 347007689 /nfs/dbraw/zinc/00/76/89/347007689.db2.gz OOCNLZZTDUETJN-UHFFFAOYSA-N 0 0 248.691 2.118 20 5 BEBDRN C[C@H]1CCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000078254456 343934510 /nfs/dbraw/zinc/93/45/10/343934510.db2.gz IPCQWVJETAPFSM-VIFPVBQESA-N 0 0 221.260 2.369 20 5 BEBDRN C[C@H]1CN(c2ccncc2[N+](=O)[O-])C[C@@H]1C ZINC000610587478 343973749 /nfs/dbraw/zinc/97/37/49/343973749.db2.gz YSGKRJFRRNFVHH-IUCAKERBSA-N 0 0 221.260 2.082 20 5 BEBDRN CC[C@@H](O)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000127268537 344100982 /nfs/dbraw/zinc/10/09/82/344100982.db2.gz NYKRTUVAUXBDOR-MRVPVSSYSA-N 0 0 242.250 2.307 20 5 BEBDRN CC1(C)CC(n2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000601079286 344137192 /nfs/dbraw/zinc/13/71/92/344137192.db2.gz YZIOHNNKLULTIJ-UHFFFAOYSA-N 0 0 222.244 2.118 20 5 BEBDRN O=[N+]([O-])c1cc(CN2CC(C(F)F)C2)cs1 ZINC000610892674 344159258 /nfs/dbraw/zinc/15/92/58/344159258.db2.gz RNPRFCSWKLUTHB-UHFFFAOYSA-N 0 0 248.254 2.353 20 5 BEBDRN C[C@H]1COCCCN1c1ccccc1[N+](=O)[O-] ZINC000610946618 344193813 /nfs/dbraw/zinc/19/38/13/344193813.db2.gz QTFCDKZCTSHYDP-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000408220221 344254681 /nfs/dbraw/zinc/25/46/81/344254681.db2.gz UIUYJLQVLWSGPA-MRVPVSSYSA-N 0 0 236.275 2.010 20 5 BEBDRN C[C@H]1C[C@H](C)N(c2ncccc2[N+](=O)[O-])C1 ZINC000408220791 344255381 /nfs/dbraw/zinc/25/53/81/344255381.db2.gz ZOSIUNJTNSAHAU-IUCAKERBSA-N 0 0 221.260 2.225 20 5 BEBDRN Cc1cncc(CNc2cccnc2[N+](=O)[O-])c1 ZINC000611166048 344268877 /nfs/dbraw/zinc/26/88/77/344268877.db2.gz RQEUQMOPTFWSGZ-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1Cc1ncc(C2CC2)o1 ZINC000611166747 344268994 /nfs/dbraw/zinc/26/89/94/344268994.db2.gz FZGBPOIPTPNIGE-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN Cc1cc(N[C@@H]2C=C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000092665132 344300511 /nfs/dbraw/zinc/30/05/11/344300511.db2.gz ZGYFPSLUSBVYKC-CMPLNLGQSA-N 0 0 248.282 2.252 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2cnc3n2CCCC3)cn1 ZINC000600846140 344382794 /nfs/dbraw/zinc/38/27/94/344382794.db2.gz VPRWGLFBWVIFKW-UHFFFAOYSA-N 0 0 244.254 2.190 20 5 BEBDRN C[C@H]1CCCN1c1ncc(F)cc1[N+](=O)[O-] ZINC000601125353 344402358 /nfs/dbraw/zinc/40/23/58/344402358.db2.gz PONAXZWVGWZNCT-ZETCQYMHSA-N 0 0 225.223 2.118 20 5 BEBDRN Cc1cc(N(C)Cc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000603020493 344412514 /nfs/dbraw/zinc/41/25/14/344412514.db2.gz ZHQAFNMXFQPVSV-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1S[C@@H](C)CCO ZINC000085142836 344503639 /nfs/dbraw/zinc/50/36/39/344503639.db2.gz JPDJVLVDQYSTHF-QMMMGPOBSA-N 0 0 242.300 2.161 20 5 BEBDRN C[C@@H](CCO)Sc1ccc([N+](=O)[O-])cc1 ZINC000085143468 344503715 /nfs/dbraw/zinc/50/37/15/344503715.db2.gz KBVAPPWGAUZHIM-QMMMGPOBSA-N 0 0 227.285 2.458 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]1C ZINC000603266032 344472858 /nfs/dbraw/zinc/47/28/58/344472858.db2.gz JMRUHUINIHTHTN-VIFPVBQESA-N 0 0 234.255 2.138 20 5 BEBDRN Cc1cccc(OCc2cn(C)nc2[N+](=O)[O-])c1 ZINC000603420229 344512927 /nfs/dbraw/zinc/51/29/27/344512927.db2.gz IVNFVAIGDPGRIN-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN CC[N@H+](Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000338906422 344588140 /nfs/dbraw/zinc/58/81/40/344588140.db2.gz UORSBHCVQGATKX-UHFFFAOYSA-N 0 0 236.271 2.285 20 5 BEBDRN Cc1nn(CCF)c2ccc([N+](=O)[O-])cc12 ZINC000220933394 344644131 /nfs/dbraw/zinc/64/41/31/344644131.db2.gz UZJWRJDPTMHYKA-UHFFFAOYSA-N 0 0 223.207 2.222 20 5 BEBDRN COc1cc(N2CC=CCC2)ccc1[N+](=O)[O-] ZINC000611509983 344746871 /nfs/dbraw/zinc/74/68/71/344746871.db2.gz SWXLLXYQLKLWGE-UHFFFAOYSA-N 0 0 234.255 2.370 20 5 BEBDRN O=[N+]([O-])c1ccccc1CN1CC=CCC1 ZINC000611517564 344749319 /nfs/dbraw/zinc/74/93/19/344749319.db2.gz QUZXCARLLJXSIJ-UHFFFAOYSA-N 0 0 218.256 2.357 20 5 BEBDRN CO[C@@H](CNc1ccc([N+](=O)[O-])cn1)C(C)C ZINC000075062528 344764056 /nfs/dbraw/zinc/76/40/56/344764056.db2.gz BWUXRHRSVLXILT-JTQLQIEISA-N 0 0 239.275 2.073 20 5 BEBDRN CO[C@H](CNc1ccc([N+](=O)[O-])nc1)C(C)C ZINC000075062659 344764212 /nfs/dbraw/zinc/76/42/12/344764212.db2.gz VJYIEDODZIKNLN-SNVBAGLBSA-N 0 0 239.275 2.073 20 5 BEBDRN CN(c1ncnc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000611700531 344801321 /nfs/dbraw/zinc/80/13/21/344801321.db2.gz AIQRYNQKKRHVOO-UHFFFAOYSA-N 0 0 244.254 2.137 20 5 BEBDRN Cc1cc(N2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000076427647 344805492 /nfs/dbraw/zinc/80/54/92/344805492.db2.gz LONVRHSYAJSNFL-UHFFFAOYSA-N 0 0 249.314 2.045 20 5 BEBDRN C[C@H]1CCN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611709347 344806096 /nfs/dbraw/zinc/80/60/96/344806096.db2.gz PLDNNNHFLCIQED-QMMMGPOBSA-N 0 0 244.254 2.137 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC[C@H]1CCOC1 ZINC000077910389 344831565 /nfs/dbraw/zinc/83/15/65/344831565.db2.gz UAKHTTPOSGEXJG-JTQLQIEISA-N 0 0 237.255 2.319 20 5 BEBDRN CC1(C)CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408472612 344832490 /nfs/dbraw/zinc/83/24/90/344832490.db2.gz VYDMIJLDDLQCHB-UHFFFAOYSA-N 0 0 239.250 2.365 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCCCCO2)c(F)c1 ZINC000408472740 344832510 /nfs/dbraw/zinc/83/25/10/344832510.db2.gz WSYZUNMEQKAGLQ-UHFFFAOYSA-N 0 0 241.222 2.051 20 5 BEBDRN CCCn1cc(Nc2ncccc2[N+](=O)[O-])cn1 ZINC000078472741 344872423 /nfs/dbraw/zinc/87/24/23/344872423.db2.gz RKXAZXUTYBIZGW-UHFFFAOYSA-N 0 0 247.258 2.340 20 5 BEBDRN Cc1ccc(NOCC(C)(C)O)c([N+](=O)[O-])c1 ZINC000278715824 178768343 /nfs/dbraw/zinc/76/83/43/178768343.db2.gz OIFPMYGHWVIGDF-UHFFFAOYSA-N 0 0 240.259 2.018 20 5 BEBDRN C[C@@H]1OCC[C@@]1(C)Nc1ncc([N+](=O)[O-])s1 ZINC000235474886 344922781 /nfs/dbraw/zinc/92/27/81/344922781.db2.gz SITJEPSOCFNINQ-IMTBSYHQSA-N 0 0 243.288 2.031 20 5 BEBDRN O=[N+]([O-])c1cnc(N2C3CCCC2CCC3)nc1 ZINC000612785860 344923616 /nfs/dbraw/zinc/92/36/16/344923616.db2.gz RLZBEAHHGJWZQW-UHFFFAOYSA-N 0 0 248.286 2.296 20 5 BEBDRN CN(CC1(O)CCC1)c1sccc1[N+](=O)[O-] ZINC000612662707 344917473 /nfs/dbraw/zinc/91/74/73/344917473.db2.gz ZEWNEUVVLYDMEE-UHFFFAOYSA-N 0 0 242.300 2.008 20 5 BEBDRN CCCOc1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000613109698 344947962 /nfs/dbraw/zinc/94/79/62/344947962.db2.gz OEXMSKNXPMEMGL-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN Cc1ccc(OCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000339321432 178810601 /nfs/dbraw/zinc/81/06/01/178810601.db2.gz SVVCLFDLUSMMAH-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN Cc1ccnc(N[C@@H]2CC23CC3)c1[N+](=O)[O-] ZINC000425274061 192087011 /nfs/dbraw/zinc/08/70/11/192087011.db2.gz QGNOFYCFWFTZPY-MRVPVSSYSA-N 0 0 219.244 2.263 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CC23CC3)s1 ZINC000425273533 192087030 /nfs/dbraw/zinc/08/70/30/192087030.db2.gz PBEYQXAASGEZKB-RXMQYKEDSA-N 0 0 211.246 2.016 20 5 BEBDRN Cc1ncoc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000083083226 345508320 /nfs/dbraw/zinc/50/83/20/345508320.db2.gz XHFRWQJORBGLPJ-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN CCCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000070251674 345553012 /nfs/dbraw/zinc/55/30/12/345553012.db2.gz SDVNQXURYTWSHV-UHFFFAOYSA-N 0 0 236.271 2.353 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC(CC(F)F)C2)cn1 ZINC000425280721 192088903 /nfs/dbraw/zinc/08/89/03/192088903.db2.gz IHBUAUBMZWPFDM-UHFFFAOYSA-N 0 0 243.213 2.081 20 5 BEBDRN CN(Cc1cnccn1)c1ccc([N+](=O)[O-])cc1 ZINC000091484217 345594925 /nfs/dbraw/zinc/59/49/25/345594925.db2.gz SFOLKHYRCIWPAQ-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN C[C@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092471177 345622168 /nfs/dbraw/zinc/62/21/68/345622168.db2.gz HQCDJOFEPRHXHT-VIFPVBQESA-N 0 0 236.271 2.142 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1Oc1cccnc1 ZINC000092583466 345639995 /nfs/dbraw/zinc/63/99/95/345639995.db2.gz XXRXTVJDVYFXRD-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN CCOc1cc(N2CCC2)ccc1[N+](=O)[O-] ZINC000092584752 345640908 /nfs/dbraw/zinc/64/09/08/345640908.db2.gz TVFXGTFZNKXPBY-UHFFFAOYSA-N 0 0 222.244 2.204 20 5 BEBDRN CCCCN(C)c1c([N+](=O)[O-])c(CC)nn1C ZINC000092826470 345644582 /nfs/dbraw/zinc/64/45/82/345644582.db2.gz YRYCSZBDOUSIOZ-UHFFFAOYSA-N 0 0 240.307 2.127 20 5 BEBDRN CC(F)(F)CNCc1ccc([N+](=O)[O-])cc1 ZINC000199342730 345727413 /nfs/dbraw/zinc/72/74/13/345727413.db2.gz ILHTUQQZQCLLBE-UHFFFAOYSA-N 0 0 230.214 2.340 20 5 BEBDRN Cc1cc(N2CC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000207401854 345734445 /nfs/dbraw/zinc/73/44/45/345734445.db2.gz UCDHFXDESJSXDE-VIFPVBQESA-N 0 0 224.235 2.451 20 5 BEBDRN C[C@@H](Nc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000085705436 347088174 /nfs/dbraw/zinc/08/81/74/347088174.db2.gz OZGPCLMEIRCRIX-SSDOTTSWSA-N 0 0 226.280 2.175 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)C2)c1 ZINC000336592103 178926955 /nfs/dbraw/zinc/92/69/55/178926955.db2.gz ACTWGEWKMMYTRP-SNVBAGLBSA-N 0 0 248.282 2.385 20 5 BEBDRN C[C@@]1(O)C[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000418981202 192091209 /nfs/dbraw/zinc/09/12/09/192091209.db2.gz AYLILGSHGIVTAG-DGFRNANFSA-N 0 0 240.234 2.059 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC3(C2)CCOC3)c1 ZINC000294226581 178929040 /nfs/dbraw/zinc/92/90/40/178929040.db2.gz VKFVIWVOKPBNMT-UHFFFAOYSA-N 0 0 248.282 2.130 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCCOC(C)C)n1 ZINC000168652586 178929315 /nfs/dbraw/zinc/92/93/15/178929315.db2.gz KOPNUYGDXPYUMD-UHFFFAOYSA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCOC2)c1 ZINC000094659461 178929448 /nfs/dbraw/zinc/92/94/48/178929448.db2.gz MDYMJOPEGZGDJQ-JTQLQIEISA-N 0 0 236.271 2.352 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCCC[C@H](C)O)c1 ZINC000336719696 178929848 /nfs/dbraw/zinc/92/98/48/178929848.db2.gz RSEFYLXMDSCENG-JTQLQIEISA-N 0 0 239.271 2.443 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(S[C@@H](C)[C@@H](C)O)n1 ZINC000178242663 178930565 /nfs/dbraw/zinc/93/05/65/178930565.db2.gz BXLINAKVHOIIFX-SFYZADRCSA-N 0 0 242.300 2.160 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@@H]2CC23CC3)c(F)c1 ZINC000418972508 192093026 /nfs/dbraw/zinc/09/30/26/192093026.db2.gz CFFVWDPFZWRSLX-ZETCQYMHSA-N 0 0 237.234 2.341 20 5 BEBDRN C[C@H](CNc1cccnc1[N+](=O)[O-])C1CC1 ZINC000136190899 345956884 /nfs/dbraw/zinc/95/68/84/345956884.db2.gz LZLBWKCVYYOLOH-MRVPVSSYSA-N 0 0 221.260 2.448 20 5 BEBDRN C[C@@H](CNc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000136192923 345957510 /nfs/dbraw/zinc/95/75/10/345957510.db2.gz RSZZVDKMFGMENM-QMMMGPOBSA-N 0 0 221.260 2.448 20 5 BEBDRN COc1ccc(CN2CC3(CC3)C2)cc1[N+](=O)[O-] ZINC000449371055 201889486 /nfs/dbraw/zinc/88/94/86/201889486.db2.gz PUXDXTUJSOGDCG-UHFFFAOYSA-N 0 0 248.282 2.199 20 5 BEBDRN CN(CCc1ccccc1[N+](=O)[O-])CC(F)F ZINC000586773204 346094140 /nfs/dbraw/zinc/09/41/40/346094140.db2.gz IYUWGCZGOFXSAE-UHFFFAOYSA-N 0 0 244.241 2.334 20 5 BEBDRN C[C@@H]1C[C@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401097084 346175509 /nfs/dbraw/zinc/17/55/09/346175509.db2.gz LPMAXBBULRHEKQ-RQJHMYQMSA-N 0 0 225.223 2.197 20 5 BEBDRN C[C@H](C[C@H](C)O)Nc1ccc([N+](=O)[O-])cc1F ZINC000136367044 346200928 /nfs/dbraw/zinc/20/09/28/346200928.db2.gz LCRDHQMWRDZOFT-SFYZADRCSA-N 0 0 242.250 2.305 20 5 BEBDRN C[C@H]1CC[C@@H]1Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401116026 346212019 /nfs/dbraw/zinc/21/20/19/346212019.db2.gz XYXAWIPQGCOFJL-XPUUQOCRSA-N 0 0 225.223 2.339 20 5 BEBDRN C[C@H]1CC[C@H]1Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401115475 346212102 /nfs/dbraw/zinc/21/21/02/346212102.db2.gz XYXAWIPQGCOFJL-POYBYMJQSA-N 0 0 225.223 2.339 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1NC1CCC1 ZINC000401107426 346196102 /nfs/dbraw/zinc/19/61/02/346196102.db2.gz RUHMYWUVAAMBCY-UHFFFAOYSA-N 0 0 211.196 2.093 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(SCCCO)c(F)c1 ZINC000236488036 346244752 /nfs/dbraw/zinc/24/47/52/346244752.db2.gz WRFXWKZZQXRJKX-UHFFFAOYSA-N 0 0 249.238 2.348 20 5 BEBDRN Cc1cccc(C(=O)N2C[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000294011059 179013728 /nfs/dbraw/zinc/01/37/28/179013728.db2.gz IQTHSXSSXFLQQW-VHSXEESVSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1cccc(C(=O)NCC(C)C)c1[N+](=O)[O-] ZINC000006524529 179015138 /nfs/dbraw/zinc/01/51/38/179015138.db2.gz PBTRGMRXLYLHTM-UHFFFAOYSA-N 0 0 236.271 2.289 20 5 BEBDRN Cc1cccc(C(=O)N[C@@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000171056760 179022636 /nfs/dbraw/zinc/02/26/36/179022636.db2.gz MPQGTUNVEIEUAE-PSASIEDQSA-N 0 0 234.255 2.041 20 5 BEBDRN Cc1cccc(C)c1Cn1cc([N+](=O)[O-])cn1 ZINC000265625940 179038703 /nfs/dbraw/zinc/03/87/03/179038703.db2.gz ZEYYSVVKTDTTHS-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])s1)[C@@H]1CCCOC1 ZINC000588065457 346630252 /nfs/dbraw/zinc/63/02/52/346630252.db2.gz IJISDSNBIKYWMO-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN Cc1ccnc(N2CCC[C@H]3C[C@H]32)c1[N+](=O)[O-] ZINC000588065815 346630910 /nfs/dbraw/zinc/63/09/10/346630910.db2.gz CNEFAFQNZIRNRC-VHSXEESVSA-N 0 0 233.271 2.287 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC(C2CC2)C1 ZINC000589695431 346727737 /nfs/dbraw/zinc/72/77/37/346727737.db2.gz IWIHRAHHASPFRD-UHFFFAOYSA-N 0 0 218.256 2.441 20 5 BEBDRN CN(CCCCCO)c1ccc([N+](=O)[O-])s1 ZINC000589597874 346718391 /nfs/dbraw/zinc/71/83/91/346718391.db2.gz DHROUUWRZLAAPL-UHFFFAOYSA-N 0 0 244.316 2.255 20 5 BEBDRN Cc1cccc(NCC2(C)COC2)c1[N+](=O)[O-] ZINC000275400493 179143473 /nfs/dbraw/zinc/14/34/73/179143473.db2.gz DWUSLXIMMIEGKO-UHFFFAOYSA-N 0 0 236.271 2.352 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CC(C2CC2)C1 ZINC000589724616 346733188 /nfs/dbraw/zinc/73/31/88/346733188.db2.gz MKUBVJZIJHFBDO-UHFFFAOYSA-N 0 0 246.266 2.077 20 5 BEBDRN Cc1cccc(N[C@H]2CCCOC2)c1[N+](=O)[O-] ZINC000218851657 179157979 /nfs/dbraw/zinc/15/79/79/179157979.db2.gz YIVACBKASUFBJP-JTQLQIEISA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cccc(N[C@@H]2CCCOC2)c1[N+](=O)[O-] ZINC000218851583 179155009 /nfs/dbraw/zinc/15/50/09/179155009.db2.gz YIVACBKASUFBJP-SNVBAGLBSA-N 0 0 236.271 2.494 20 5 BEBDRN CC(F)(F)CNCc1ccc([N+](=O)[O-])cc1F ZINC000590194705 346789503 /nfs/dbraw/zinc/78/95/03/346789503.db2.gz INXBMVHKGWIDSZ-UHFFFAOYSA-N 0 0 248.204 2.479 20 5 BEBDRN Cc1ccc(F)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000188180462 346791365 /nfs/dbraw/zinc/79/13/65/346791365.db2.gz FMEIDPAHYOUKRQ-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN Cc1cc(CNc2sccc2[N+](=O)[O-])[nH]n1 ZINC000309842877 347184867 /nfs/dbraw/zinc/18/48/67/347184867.db2.gz FEBXPICDWBLXIS-UHFFFAOYSA-N 0 0 238.272 2.300 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCC1CC1 ZINC000194383166 179206997 /nfs/dbraw/zinc/20/69/97/179206997.db2.gz HKJANBXZWLAGJC-UHFFFAOYSA-N 0 0 234.255 2.043 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCC(C)(C)O ZINC000096474704 179207025 /nfs/dbraw/zinc/20/70/25/179207025.db2.gz LCGMVPOVWYJUEV-UHFFFAOYSA-N 0 0 224.260 2.086 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCCCF)cc1CO ZINC000349231674 136742790 /nfs/dbraw/zinc/74/27/90/136742790.db2.gz HKDKTJKECQWPKP-UHFFFAOYSA-N 0 0 243.234 2.216 20 5 BEBDRN C[C@H](CCCO)CNc1sccc1[N+](=O)[O-] ZINC000590709348 347498907 /nfs/dbraw/zinc/49/89/07/347498907.db2.gz ZNCLNRWFOZKSKG-MRVPVSSYSA-N 0 0 244.316 2.477 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C(F)(F)F)cn1 ZINC000590701082 347489630 /nfs/dbraw/zinc/48/96/30/347489630.db2.gz CCTLSDPGCSJMLP-RNFRBKRXSA-N 0 0 247.176 2.353 20 5 BEBDRN C[C@]1(F)CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000590704783 347492052 /nfs/dbraw/zinc/49/20/52/347492052.db2.gz QCXPESONUNIASC-NSHDSACASA-N 0 0 239.250 2.318 20 5 BEBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])s1)[C@H](C)O ZINC000590721708 347493524 /nfs/dbraw/zinc/49/35/24/347493524.db2.gz MOHDMNWCVWNMEH-NKWVEPMBSA-N 0 0 230.289 2.228 20 5 BEBDRN O=[N+]([O-])c1sccc1N1CC[C@@H](F)C1 ZINC000590714673 347499563 /nfs/dbraw/zinc/49/95/63/347499563.db2.gz BZWBPLNGVRCKAX-ZCFIWIBFSA-N 0 0 216.237 2.205 20 5 BEBDRN Cc1nocc1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000590597226 347479745 /nfs/dbraw/zinc/47/97/45/347479745.db2.gz AJJUJNIYXBOACA-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCC[C@H]1F ZINC000591195457 347629596 /nfs/dbraw/zinc/62/95/96/347629596.db2.gz HKUHLEWXEGGKDN-HTQZYQBOSA-N 0 0 242.254 2.021 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(OCC(F)F)c1 ZINC000592360946 347774070 /nfs/dbraw/zinc/77/40/70/347774070.db2.gz AULNSHHFDTYYDP-UHFFFAOYSA-N 0 0 233.170 2.247 20 5 BEBDRN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]1C ZINC000592826901 347819136 /nfs/dbraw/zinc/81/91/36/347819136.db2.gz DTNNENQZKBCWKM-APPZFPTMSA-N 0 0 249.270 2.231 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2CC3(CCC3)C2)nc1 ZINC000593516274 347903388 /nfs/dbraw/zinc/90/33/88/347903388.db2.gz LYHWCGQLIVOKMI-UHFFFAOYSA-N 0 0 234.259 2.129 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@H](CO)CCF ZINC000593509791 347901587 /nfs/dbraw/zinc/90/15/87/347901587.db2.gz NCVFMFDSRLCSQP-VIFPVBQESA-N 0 0 242.250 2.036 20 5 BEBDRN CC[C@@H](CC(F)F)Cn1cc([N+](=O)[O-])cn1 ZINC000594891244 348125188 /nfs/dbraw/zinc/12/51/88/348125188.db2.gz RQNRBLISSNQJIT-ZETCQYMHSA-N 0 0 233.218 2.473 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn(CCC2CCC2)c1=O ZINC000594892626 348126502 /nfs/dbraw/zinc/12/65/02/348126502.db2.gz BVMXWCLHNALASL-UHFFFAOYSA-N 0 0 236.271 2.255 20 5 BEBDRN CC(C)(C)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000594640163 348096982 /nfs/dbraw/zinc/09/69/82/348096982.db2.gz IUJAJJBFMJTVDI-UHFFFAOYSA-N 0 0 246.270 2.473 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CCC1CCC1 ZINC000594896950 348130242 /nfs/dbraw/zinc/13/02/42/348130242.db2.gz CXWGWLHXKVGWGR-UHFFFAOYSA-N 0 0 236.271 2.255 20 5 BEBDRN Cc1noc(CN2CCC(C)(C)C2)c1[N+](=O)[O-] ZINC000595330521 348228117 /nfs/dbraw/zinc/22/81/17/348228117.db2.gz KLLSCKZWNHZEGU-UHFFFAOYSA-N 0 0 239.275 2.123 20 5 BEBDRN CC[C@@H](Nc1ccc(N)c([N+](=O)[O-])n1)C1CC1 ZINC000323728275 348421490 /nfs/dbraw/zinc/42/14/90/348421490.db2.gz NYYIZUXKSQVLRO-SECBINFHSA-N 0 0 236.275 2.173 20 5 BEBDRN Cc1ccnc(N(C)CC2CC2)c1[N+](=O)[O-] ZINC000301299979 179426379 /nfs/dbraw/zinc/42/63/79/179426379.db2.gz QPTLEKUAYJWYDX-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN CC(=O)[C@@H](C)SCc1onc(C)c1[N+](=O)[O-] ZINC000596025006 348424556 /nfs/dbraw/zinc/42/45/56/348424556.db2.gz VWPNCUDWDYXTRP-SSDOTTSWSA-N 0 0 244.272 2.102 20 5 BEBDRN C[C@H]1CN(c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000596246765 348486496 /nfs/dbraw/zinc/48/64/96/348486496.db2.gz GDULHVVJRMQRJY-IUCAKERBSA-N 0 0 206.245 2.439 20 5 BEBDRN Cc1cc(N[C@H](C)[C@@H](C)CO)c([N+](=O)[O-])s1 ZINC000596136991 348448537 /nfs/dbraw/zinc/44/85/37/348448537.db2.gz ZKNDJQZWBBPGQB-POYBYMJQSA-N 0 0 244.316 2.394 20 5 BEBDRN CO[C@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596151070 348452676 /nfs/dbraw/zinc/45/26/76/348452676.db2.gz MDWXDOMVGNGJGI-QMMMGPOBSA-N 0 0 242.300 2.190 20 5 BEBDRN Cc1cc(N2CCCCN2)c([N+](=O)[O-])s1 ZINC000596232622 348463050 /nfs/dbraw/zinc/46/30/50/348463050.db2.gz QYAVYORDJQYJRF-UHFFFAOYSA-N 0 0 227.289 2.070 20 5 BEBDRN Cc1cnc(N2CC[C@@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000596250150 348472993 /nfs/dbraw/zinc/47/29/93/348472993.db2.gz RPWQXXWTLPADOQ-SSDOTTSWSA-N 0 0 243.213 2.142 20 5 BEBDRN CC/C=C\CNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596253396 348474995 /nfs/dbraw/zinc/47/49/95/348474995.db2.gz SEKBAHHNUXCQBV-ARJAWSKDSA-N 0 0 249.270 2.072 20 5 BEBDRN Cc1ccnc(NC[C@@H]2C[C@H]2C)c1[N+](=O)[O-] ZINC000123850529 179447832 /nfs/dbraw/zinc/44/78/32/179447832.db2.gz YVTFPSIWKLLRRT-BDAKNGLRSA-N 0 0 221.260 2.366 20 5 BEBDRN O=[N+]([O-])c1sccc1NCCOCCF ZINC000596568828 348580747 /nfs/dbraw/zinc/58/07/47/348580747.db2.gz CNWUGOSNQIXUSX-UHFFFAOYSA-N 0 0 234.252 2.054 20 5 BEBDRN CO[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000596539727 348582983 /nfs/dbraw/zinc/58/29/83/348582983.db2.gz LVTHAFBZJWUEMS-MNOVXSKESA-N 0 0 240.234 2.323 20 5 BEBDRN CO[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000596540668 348583122 /nfs/dbraw/zinc/58/31/22/348583122.db2.gz UFRXJBKQHARYKT-MUWHJKNJSA-N 0 0 228.273 2.246 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2noc(CCCF)n2)o1 ZINC000596601007 348590097 /nfs/dbraw/zinc/59/00/97/348590097.db2.gz FCBBLZLBUKKEOW-UHFFFAOYSA-N 0 0 241.178 2.140 20 5 BEBDRN Cc1cc(NCCOCCF)c([N+](=O)[O-])s1 ZINC000596570794 348591323 /nfs/dbraw/zinc/59/13/23/348591323.db2.gz OBPZASYARPBOBE-UHFFFAOYSA-N 0 0 248.279 2.363 20 5 BEBDRN Cc1nnc(-c2ccc(C)c([N+](=O)[O-])c2)n1C ZINC000596640078 348599637 /nfs/dbraw/zinc/59/96/37/348599637.db2.gz ZHYWEHUTYOJIDH-UHFFFAOYSA-N 0 0 232.243 2.007 20 5 BEBDRN Cc1oncc1-c1cc([N+](=O)[O-])ccc1CCO ZINC000596647975 348604245 /nfs/dbraw/zinc/60/42/45/348604245.db2.gz ZTAQMSWHYBWHGB-UHFFFAOYSA-N 0 0 248.238 2.093 20 5 BEBDRN CC(C)(F)CCNc1ncc([N+](=O)[O-])s1 ZINC000596468913 348562958 /nfs/dbraw/zinc/56/29/58/348562958.db2.gz PPVNUPUTNNWILP-UHFFFAOYSA-N 0 0 233.268 2.023 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@H]2COC[C@@H]2C1 ZINC000596529336 348566327 /nfs/dbraw/zinc/56/63/27/348566327.db2.gz QYTUDWCHIZPUCZ-QWRGUYRKSA-N 0 0 248.282 2.068 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000596512177 348573600 /nfs/dbraw/zinc/57/36/00/348573600.db2.gz RJGYFELJCSNRCT-VXGBXAGGSA-N 0 0 248.282 2.310 20 5 BEBDRN Cc1cnc(N2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000596513075 348574633 /nfs/dbraw/zinc/57/46/33/348574633.db2.gz YSPHRQJTKSXMKV-NXEZZACHSA-N 0 0 233.271 2.144 20 5 BEBDRN Cc1cnc(N2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000266248445 179621728 /nfs/dbraw/zinc/62/17/28/179621728.db2.gz ZQLAPHAAQGTBDE-QMMMGPOBSA-N 0 0 221.260 2.144 20 5 BEBDRN Cc1cnc(COc2ccc([N+](=O)[O-])cc2)nc1 ZINC000361087883 179615224 /nfs/dbraw/zinc/61/52/24/179615224.db2.gz NQKXOPWVTBICJV-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CC(CC(F)F)C1 ZINC000425283065 192372364 /nfs/dbraw/zinc/37/23/64/192372364.db2.gz LRFQBVKPSREHKK-UHFFFAOYSA-N 0 0 243.213 2.081 20 5 BEBDRN Cc1cncc(NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000302205845 179680213 /nfs/dbraw/zinc/68/02/13/179680213.db2.gz DHLQEVFVOIAFSQ-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cncc(NCc2ccccc2[N+](=O)[O-])n1 ZINC000302240607 179682454 /nfs/dbraw/zinc/68/24/54/179682454.db2.gz XNAUNGNYDZOZGP-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC[C@H]2CC2(F)F)cn1 ZINC000598634636 349005202 /nfs/dbraw/zinc/00/52/02/349005202.db2.gz AFCDAIJHGWISNK-ZETCQYMHSA-N 0 0 243.213 2.447 20 5 BEBDRN Cc1cc(NCC2CC=CC2)ncc1[N+](=O)[O-] ZINC000599127937 349102684 /nfs/dbraw/zinc/10/26/84/349102684.db2.gz QYKKILNHXUMBBE-UHFFFAOYSA-N 0 0 233.271 2.098 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1NCC1COC1 ZINC000599176634 349103990 /nfs/dbraw/zinc/10/39/90/349103990.db2.gz WAPWCUBRSAHCHT-UHFFFAOYSA-N 0 0 242.662 2.307 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1CC2(C1)CCCO2 ZINC000599144694 349104801 /nfs/dbraw/zinc/10/48/01/349104801.db2.gz NEMZORDBIURJPF-UHFFFAOYSA-N 0 0 240.284 2.026 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C12CC(C1)C2 ZINC000598954985 349066287 /nfs/dbraw/zinc/06/62/87/349066287.db2.gz YVSDFNJNSAJGPX-UHFFFAOYSA-N 0 0 232.239 2.333 20 5 BEBDRN CO[C@H]1C[C@H](Nc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000599190068 349114565 /nfs/dbraw/zinc/11/45/65/349114565.db2.gz QAMBCJKGAOXEDH-MGCOHNPYSA-N 0 0 236.271 2.493 20 5 BEBDRN CO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000599189498 349114664 /nfs/dbraw/zinc/11/46/64/349114664.db2.gz FXYVPDVWVHZXPS-XYPYZODXSA-N 0 0 236.271 2.493 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCCC3(CC3)CC2)nc1 ZINC000599193421 349115658 /nfs/dbraw/zinc/11/56/58/349115658.db2.gz YJFHWYVXVWDUEK-UHFFFAOYSA-N 0 0 248.286 2.155 20 5 BEBDRN CO[C@@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000308926294 349130638 /nfs/dbraw/zinc/13/06/38/349130638.db2.gz IGXSQUUGLONHSG-BQBZGAKWSA-N 0 0 230.289 2.492 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC[C@H]2C[C@@H](O)C2)c1 ZINC000421828157 192386386 /nfs/dbraw/zinc/38/63/86/192386386.db2.gz BJCLPUROIKXLCV-AOOOYVTPSA-N 0 0 237.255 2.053 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCCCn1ccnc1 ZINC000020298788 349327700 /nfs/dbraw/zinc/32/77/00/349327700.db2.gz YZWMISWSZWUJLG-UHFFFAOYSA-N 0 0 246.270 2.294 20 5 BEBDRN CCOC[C@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000309031394 349313510 /nfs/dbraw/zinc/31/35/10/349313510.db2.gz DZTBXPSAQRAKPP-ZETCQYMHSA-N 0 0 230.289 2.493 20 5 BEBDRN Cc1cccc(CNc2cccnc2[N+](=O)[O-])n1 ZINC000159343599 350041427 /nfs/dbraw/zinc/04/14/27/350041427.db2.gz MOPSTPBBGPCJBU-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN C[C@@H]1C[C@H](Nc2ccsc2[N+](=O)[O-])CO1 ZINC000402279207 350107710 /nfs/dbraw/zinc/10/77/10/350107710.db2.gz FSQQPGRFZHJUFL-RQJHMYQMSA-N 0 0 228.273 2.246 20 5 BEBDRN Cc1nc(N2CCC3(CCC3)C2)ncc1[N+](=O)[O-] ZINC000297664554 180000351 /nfs/dbraw/zinc/00/03/51/180000351.db2.gz ZJQPEBYBINDVGP-UHFFFAOYSA-N 0 0 248.286 2.074 20 5 BEBDRN Cc1nc(NC(=O)C[C@@H]2C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000362012917 180007379 /nfs/dbraw/zinc/00/73/79/180007379.db2.gz MHNFKHDQHYIBRJ-CBAPKCEASA-N 0 0 249.270 2.283 20 5 BEBDRN Cc1nc(NCc2cccnc2)ccc1[N+](=O)[O-] ZINC000161492347 180020420 /nfs/dbraw/zinc/02/04/20/180020420.db2.gz UUBYEOVWXPZQOT-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1nc(N[C@@H]2C[C@H]3CC[C@@H]2O3)ccc1[N+](=O)[O-] ZINC000161572654 180024250 /nfs/dbraw/zinc/02/42/50/180024250.db2.gz APKDKBFZHBZZFQ-KKZNHRDASA-N 0 0 249.270 2.030 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(N)c1Br ZINC000090376619 191023447 /nfs/dbraw/zinc/02/34/47/191023447.db2.gz KOFZWAGTGPUOCM-UHFFFAOYSA-N 0 0 231.049 2.248 20 5 BEBDRN O=[N+]([O-])c1sccc1NC[C@H](O)C1CCC1 ZINC000315648647 350203101 /nfs/dbraw/zinc/20/31/01/350203101.db2.gz BBDYQBSEOGXKGC-VIFPVBQESA-N 0 0 242.300 2.229 20 5 BEBDRN Cc1nccc(Oc2ccccc2[N+](=O)[O-])n1 ZINC000360926298 180207151 /nfs/dbraw/zinc/20/71/51/180207151.db2.gz TYGQKHPIOZZFNM-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN CC(C)(CCO)CNc1ccc([N+](=O)[O-])s1 ZINC000309330664 350319052 /nfs/dbraw/zinc/31/90/52/350319052.db2.gz HQXCAEFSRWTFCL-UHFFFAOYSA-N 0 0 244.316 2.477 20 5 BEBDRN Cc1nn(C)c(NCCC(C)(F)F)c1[N+](=O)[O-] ZINC000294249317 180357935 /nfs/dbraw/zinc/35/79/35/180357935.db2.gz PVFQAIHFWJYKAB-UHFFFAOYSA-N 0 0 248.233 2.094 20 5 BEBDRN Cc1nn(C)c(NCC2CCCC2)c1[N+](=O)[O-] ZINC000036749342 180358746 /nfs/dbraw/zinc/35/87/46/180358746.db2.gz DVFJKWUVPDKJCK-UHFFFAOYSA-N 0 0 238.291 2.239 20 5 BEBDRN Cc1nn(C[Si](C)(C)C)c(C)c1[N+](=O)[O-] ZINC000171632132 180391518 /nfs/dbraw/zinc/39/15/18/180391518.db2.gz IWAHLUFGNMEMMF-UHFFFAOYSA-N 0 0 227.340 2.286 20 5 BEBDRN Cc1nn(CCC(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000071810303 180387424 /nfs/dbraw/zinc/38/74/24/180387424.db2.gz SWFRFCHVOBACDS-UHFFFAOYSA-N 0 0 237.181 2.361 20 5 BEBDRN Cc1nn(CCc2cccnc2)c(C)c1[N+](=O)[O-] ZINC000114095435 180388881 /nfs/dbraw/zinc/38/88/81/180388881.db2.gz ABCXCHYGJTVVAT-UHFFFAOYSA-N 0 0 246.270 2.046 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCC1(CO)CCC1 ZINC000309476613 350563980 /nfs/dbraw/zinc/56/39/80/350563980.db2.gz CERXLZMYUWRCLC-UHFFFAOYSA-N 0 0 242.300 2.231 20 5 BEBDRN CCC(=O)[C@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000120427199 350601223 /nfs/dbraw/zinc/60/12/23/350601223.db2.gz KXYBFXVBERBOQI-ZETCQYMHSA-N 0 0 240.284 2.450 20 5 BEBDRN O=[N+]([O-])c1cccc(NCC2CCOCC2)c1 ZINC000051924388 350652266 /nfs/dbraw/zinc/65/22/66/350652266.db2.gz OWXBIOSRNMGRRY-UHFFFAOYSA-N 0 0 236.271 2.433 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCC[C@H]1O ZINC000302667347 191120254 /nfs/dbraw/zinc/12/02/54/191120254.db2.gz MTZJKXDXSRQIKC-PSASIEDQSA-N 0 0 240.234 2.059 20 5 BEBDRN Cc1cc(OC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000073190764 350933491 /nfs/dbraw/zinc/93/34/91/350933491.db2.gz QPFWXOLWIRGCJA-NSHDSACASA-N 0 0 237.255 2.461 20 5 BEBDRN C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])s2)CS1 ZINC000397868368 350978958 /nfs/dbraw/zinc/97/89/58/350978958.db2.gz ILIICRPLRQVJKT-RITPCOANSA-N 0 0 245.329 2.357 20 5 BEBDRN Cc1cnc(N[C@H]2C[C@@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000343826294 350998529 /nfs/dbraw/zinc/99/85/29/350998529.db2.gz BUJXYQNKJPGTOA-BQBZGAKWSA-N 0 0 243.213 2.364 20 5 BEBDRN CC(C)[C@@H](CO)CNc1ccc([N+](=O)[O-])cc1 ZINC000343865397 351000557 /nfs/dbraw/zinc/00/05/57/351000557.db2.gz QPOCOYCZBOFPTE-SNVBAGLBSA-N 0 0 238.287 2.271 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H]1C[C@@H]1C(F)F ZINC000343847092 351000674 /nfs/dbraw/zinc/00/06/74/351000674.db2.gz IRKRUAIEBLMGQE-JGVFFNPUSA-N 0 0 243.213 2.364 20 5 BEBDRN O=[N+]([O-])c1cccc(NCCC2(O)CCC2)c1 ZINC000398204055 351014049 /nfs/dbraw/zinc/01/40/49/351014049.db2.gz BCQXGKVPAGKVPU-UHFFFAOYSA-N 0 0 236.271 2.312 20 5 BEBDRN O=[N+]([O-])c1ccc(Sc2ncco2)cn1 ZINC001639858484 1172140332 /nfs/dbraw/zinc/14/03/32/1172140332.db2.gz HNIANAHBVNBXOG-UHFFFAOYSA-N 0 0 223.213 2.129 20 5 BEBDRN CC(C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000017127716 363025406 /nfs/dbraw/zinc/02/54/06/363025406.db2.gz VBTOXEWJCWJJRR-UHFFFAOYSA-N 0 0 228.273 2.042 20 5 BEBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000386687947 363027865 /nfs/dbraw/zinc/02/78/65/363027865.db2.gz JUOODMOZLJLUPU-GZMMTYOYSA-N 0 0 224.260 2.166 20 5 BEBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1F)[C@@H](C)O ZINC000386739321 363036669 /nfs/dbraw/zinc/03/66/69/363036669.db2.gz CZUJTWWUNFVZSA-GMSGAONNSA-N 0 0 242.250 2.305 20 5 BEBDRN CC(C)(CO)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000126358154 187532923 /nfs/dbraw/zinc/53/29/23/187532923.db2.gz CEIRLQXLDRLYIF-UHFFFAOYSA-N 0 0 242.250 2.164 20 5 BEBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000032190708 351961999 /nfs/dbraw/zinc/96/19/99/351961999.db2.gz OWQGSQOMTFYNHF-UHFFFAOYSA-N 0 0 236.271 2.465 20 5 BEBDRN Cc1ccccc1Oc1c([N+](=O)[O-])ncn1C ZINC000008308594 352646367 /nfs/dbraw/zinc/64/63/67/352646367.db2.gz ISQRJYLNMGDWBI-UHFFFAOYSA-N 0 0 233.227 2.429 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NCCC1=CCCC1 ZINC000229175798 180772156 /nfs/dbraw/zinc/77/21/56/180772156.db2.gz GFUWNFYFNHFLJK-UHFFFAOYSA-N 0 0 236.275 2.241 20 5 BEBDRN Cc1c(CC(=O)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000161326497 187814665 /nfs/dbraw/zinc/81/46/65/187814665.db2.gz BRMCPZRCZUDUKZ-UHFFFAOYSA-N 0 0 248.282 2.067 20 5 BEBDRN O=[N+]([O-])c1ncn(C[C@@H]2CCCC(F)(F)C2)n1 ZINC000337889818 187837305 /nfs/dbraw/zinc/83/73/05/187837305.db2.gz GQDYSCHIYOGMQY-SSDOTTSWSA-N 0 0 246.217 2.012 20 5 BEBDRN CC(C)CNc1ncnc(Cl)c1[N+](=O)[O-] ZINC000012654315 353013257 /nfs/dbraw/zinc/01/32/57/353013257.db2.gz MCLAQIKNMPZGSU-UHFFFAOYSA-N 0 0 230.655 2.106 20 5 BEBDRN O=[N+]([O-])c1ccc(SCC(F)F)nc1 ZINC000160118699 353139534 /nfs/dbraw/zinc/13/95/34/353139534.db2.gz XTLACWQRPRYDRM-UHFFFAOYSA-N 0 0 220.200 2.347 20 5 BEBDRN Cc1nccc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000356034909 188065518 /nfs/dbraw/zinc/06/55/18/188065518.db2.gz DVZCHZPGYHUJGM-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN Cc1ccc(OCc2nccn2C)c([N+](=O)[O-])c1 ZINC000123834875 188084263 /nfs/dbraw/zinc/08/42/63/188084263.db2.gz SIGJVGQSCHFGSU-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1cnc(S[C@@H](C)[C@H](C)O)c([N+](=O)[O-])c1 ZINC000078671116 188136648 /nfs/dbraw/zinc/13/66/48/188136648.db2.gz SWEVBRNDPOCDBL-YUMQZZPRSA-N 0 0 242.300 2.160 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1NCC(F)F ZINC000098000846 188148980 /nfs/dbraw/zinc/14/89/80/188148980.db2.gz RWTVOIRTLVRBGM-UHFFFAOYSA-N 0 0 220.150 2.411 20 5 BEBDRN Cc1cnc(N(C)CC2CC2)c([N+](=O)[O-])c1 ZINC000266246756 188195222 /nfs/dbraw/zinc/19/52/22/188195222.db2.gz YXTVUIUMSJTZBP-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN O=[N+]([O-])c1c(Cl)cccc1OCCCO ZINC000163122912 188183672 /nfs/dbraw/zinc/18/36/72/188183672.db2.gz JWMYSSYCLGEGFP-UHFFFAOYSA-N 0 0 231.635 2.009 20 5 BEBDRN CC(C)(NC(=O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000294136751 188213172 /nfs/dbraw/zinc/21/31/72/188213172.db2.gz PAJGRENEDJILEP-UHFFFAOYSA-N 0 0 248.282 2.356 20 5 BEBDRN CC(C)=CCOc1cccnc1[N+](=O)[O-] ZINC000298670244 188214655 /nfs/dbraw/zinc/21/46/55/188214655.db2.gz GLDQCBRPDLAPTK-UHFFFAOYSA-N 0 0 208.217 2.335 20 5 BEBDRN Cc1c[nH]c(=NOCC(C)C)c([N+](=O)[O-])c1 ZINC000276208142 188201792 /nfs/dbraw/zinc/20/17/92/188201792.db2.gz JRVPKIVDVBUOHT-UHFFFAOYSA-N 0 0 225.248 2.298 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@H]2CCCS2)s1 ZINC000189688874 353312388 /nfs/dbraw/zinc/31/23/88/353312388.db2.gz OOIUYTCATNFMAQ-ZCFIWIBFSA-N 0 0 245.329 2.359 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@@H]2CCCS2)s1 ZINC000189688856 353312129 /nfs/dbraw/zinc/31/21/29/353312129.db2.gz OOIUYTCATNFMAQ-LURJTMIESA-N 0 0 245.329 2.359 20 5 BEBDRN O=[N+]([O-])c1cccnc1SC[C@H]1CCOC1 ZINC000194658114 353680700 /nfs/dbraw/zinc/68/07/00/353680700.db2.gz PPLFBZKUFHPTCG-QMMMGPOBSA-N 0 0 240.284 2.118 20 5 BEBDRN C/C=C\CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000600492279 363244451 /nfs/dbraw/zinc/24/44/51/363244451.db2.gz QHKZKYKRWQNWJF-UMBAGQNISA-N 0 0 248.282 2.391 20 5 BEBDRN Cc1cnc(CNc2cccc([N+](=O)[O-])c2)nc1 ZINC000345403144 353713419 /nfs/dbraw/zinc/71/34/19/353713419.db2.gz DGEGOYGABSJBNO-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN O=C(NCCCF)Nc1cccc([N+](=O)[O-])c1 ZINC000178398033 366121152 /nfs/dbraw/zinc/12/11/52/366121152.db2.gz LHWPCFOEYUDGCQ-UHFFFAOYSA-N 0 0 241.222 2.076 20 5 BEBDRN CC(C)CN(C)c1ccc([N+](=O)[O-])nc1 ZINC000344422845 354253702 /nfs/dbraw/zinc/25/37/02/354253702.db2.gz CKZJITABTSRXOL-UHFFFAOYSA-N 0 0 209.249 2.082 20 5 BEBDRN O=[N+]([O-])c1ncn(CC2CCC(F)(F)CC2)n1 ZINC000412991727 191331418 /nfs/dbraw/zinc/33/14/18/191331418.db2.gz KKUFKIACQMLFED-UHFFFAOYSA-N 0 0 246.217 2.012 20 5 BEBDRN CCN(CC1CC1)c1ncc([N+](=O)[O-])cc1F ZINC000413133047 191358209 /nfs/dbraw/zinc/35/82/09/191358209.db2.gz HBANONPXEJIFKR-UHFFFAOYSA-N 0 0 239.250 2.365 20 5 BEBDRN CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413027383 191348421 /nfs/dbraw/zinc/34/84/21/191348421.db2.gz YOYULXXEKYNGRV-UHFFFAOYSA-N 0 0 221.138 2.050 20 5 BEBDRN Cc1nc(N[C@@H]2CCC[C@@H]3C[C@@H]32)ncc1[N+](=O)[O-] ZINC000413455699 191385637 /nfs/dbraw/zinc/38/56/37/191385637.db2.gz JSXRIPUMYYMQGE-KXUCPTDWSA-N 0 0 248.286 2.294 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1CCCC[C@H]1F ZINC000413539190 191394303 /nfs/dbraw/zinc/39/43/03/191394303.db2.gz YZHHMUHCWOAVJX-RKDXNWHRSA-N 0 0 239.250 2.104 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2C2CC2)c(F)c1 ZINC000413264914 191367757 /nfs/dbraw/zinc/36/77/57/191367757.db2.gz ISTIAJMDCIRCNP-WCBMZHEXSA-N 0 0 237.234 2.339 20 5 BEBDRN CCC1CN(c2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000413370606 191377579 /nfs/dbraw/zinc/37/75/79/191377579.db2.gz VFVQUGNJSSHUFJ-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN Cc1cc(C)n(-c2cccc([N+](=O)[O-])c2)n1 ZINC000035122346 355835643 /nfs/dbraw/zinc/83/56/43/355835643.db2.gz PNGPSRCHKILVRW-UHFFFAOYSA-N 0 0 217.228 2.397 20 5 BEBDRN NC(=O)c1cccc([N+](=O)[O-])c1NC1CCCC1 ZINC000420581750 192246882 /nfs/dbraw/zinc/24/68/82/192246882.db2.gz IFFVXCBEZZRKBQ-UHFFFAOYSA-N 0 0 249.270 2.048 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[C@@H]1C ZINC000336165360 134113132 /nfs/dbraw/zinc/11/31/32/134113132.db2.gz PGEYSFXGMZKGFY-ZJUUUORDSA-N 0 0 248.282 2.384 20 5 BEBDRN CC[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000387443571 366256782 /nfs/dbraw/zinc/25/67/82/366256782.db2.gz PULKVQBRNMZGKJ-VXNVDRBHSA-N 0 0 242.250 2.305 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCc2ccccn2)cn1 ZINC000054614315 363519084 /nfs/dbraw/zinc/51/90/84/363519084.db2.gz VRVYMLSSUWJITI-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN O=[N+]([O-])c1ccc2ncnc(N3CCCC3)c2c1 ZINC000015932520 356616900 /nfs/dbraw/zinc/61/69/00/356616900.db2.gz KAKCXXUUZYNQCN-UHFFFAOYSA-N 0 0 244.254 2.138 20 5 BEBDRN C[C@H]1OCC[C@H]1Sc1ccc([N+](=O)[O-])nc1 ZINC000450402156 202155149 /nfs/dbraw/zinc/15/51/49/202155149.db2.gz IFWRDEBEGCNVPB-VXNVDRBHSA-N 0 0 240.284 2.259 20 5 BEBDRN Cc1nc(N2CC(C)=C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450505328 202186558 /nfs/dbraw/zinc/18/65/58/202186558.db2.gz YFHXLSJSCFMRDO-QMMMGPOBSA-N 0 0 248.286 2.096 20 5 BEBDRN O=C(OCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000073024001 357200039 /nfs/dbraw/zinc/20/00/39/357200039.db2.gz XMXFNWXVLHFIRB-UHFFFAOYSA-N 0 0 249.144 2.314 20 5 BEBDRN O=[N+]([O-])c1ccc2[nH]c(N3CC=CCC3)nc2c1 ZINC000618585775 357212176 /nfs/dbraw/zinc/21/21/76/357212176.db2.gz DPYTXDPGDWIVID-UHFFFAOYSA-N 0 0 244.254 2.237 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCc2ccccc2)nc1 ZINC000040454424 357221795 /nfs/dbraw/zinc/22/17/95/357221795.db2.gz RAEQJWGZSJEIJD-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000618398098 357185970 /nfs/dbraw/zinc/18/59/70/357185970.db2.gz QUVALNYHSLQTII-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN O=[N+]([O-])c1cnc(NCc2nccs2)s1 ZINC000189684098 357657856 /nfs/dbraw/zinc/65/78/56/357657856.db2.gz ODWVSEQEJOADFR-UHFFFAOYSA-N 0 0 242.285 2.120 20 5 BEBDRN O=[N+]([O-])c1cccc(SCCCO)c1 ZINC000085162556 134224252 /nfs/dbraw/zinc/22/42/52/134224252.db2.gz WAIWJCWFCRTWDE-UHFFFAOYSA-N 0 0 213.258 2.069 20 5 BEBDRN CO[C@H]1C[C@@H](COc2ccsc2[N+](=O)[O-])C1 ZINC001641139387 1172228018 /nfs/dbraw/zinc/22/80/18/1172228018.db2.gz GJZUZESZKIPNGS-OCAPTIKFSA-N 0 0 243.284 2.460 20 5 BEBDRN Cc1ccnc(N2CC(C)(C)C2)c1[N+](=O)[O-] ZINC000618984014 357997615 /nfs/dbraw/zinc/99/76/15/357997615.db2.gz PENPSJOHNCYVDS-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN Cc1cc(N2CC(C)(C)C2)ncc1[N+](=O)[O-] ZINC000618984024 357997621 /nfs/dbraw/zinc/99/76/21/357997621.db2.gz QWQXKNXIJDKBBA-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN CC1(C)CN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000619147631 358003590 /nfs/dbraw/zinc/00/35/90/358003590.db2.gz DFGBLIWHHNUUCS-UHFFFAOYSA-N 0 0 240.284 2.138 20 5 BEBDRN O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000055797869 363600147 /nfs/dbraw/zinc/60/01/47/363600147.db2.gz NIQGMAUDSLITEC-UHFFFAOYSA-N 0 0 246.222 2.118 20 5 BEBDRN Cc1nc(N2CC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000450640552 202222066 /nfs/dbraw/zinc/22/20/66/202222066.db2.gz DGYKFSWUTDNHSY-LLVKDONJSA-N 0 0 233.271 2.287 20 5 BEBDRN CC[C@@H]1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000104767484 358416731 /nfs/dbraw/zinc/41/67/31/358416731.db2.gz CJIVXCJWRMCIMP-NSHDSACASA-N 0 0 247.254 2.344 20 5 BEBDRN CC1(F)CN(c2ccccc2[N+](=O)[O-])C1 ZINC000619500323 358575260 /nfs/dbraw/zinc/57/52/60/358575260.db2.gz MBVCVGNEVZSOFE-UHFFFAOYSA-N 0 0 210.208 2.143 20 5 BEBDRN CCN(CC1CCC1)c1ncc([N+](=O)[O-])cn1 ZINC000619504156 358602208 /nfs/dbraw/zinc/60/22/08/358602208.db2.gz FXCFUAPRFNWYNO-UHFFFAOYSA-N 0 0 236.275 2.011 20 5 BEBDRN Cc1cc(N2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000048554429 358640835 /nfs/dbraw/zinc/64/08/35/358640835.db2.gz SCSZXZWJOQTGEK-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN CC(C)C1CN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000611078790 358587762 /nfs/dbraw/zinc/58/77/62/358587762.db2.gz SVACCCSUZMLSOT-UHFFFAOYSA-N 0 0 221.260 2.082 20 5 BEBDRN CCc1nn(C)cc1Nc1ccc([N+](=O)[O-])nc1 ZINC000231087395 358706386 /nfs/dbraw/zinc/70/63/86/358706386.db2.gz KZHNVSLCZNQYMC-UHFFFAOYSA-N 0 0 247.258 2.029 20 5 BEBDRN O=C(NCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000049002794 358667227 /nfs/dbraw/zinc/66/72/27/358667227.db2.gz BTEWRXIAAOVSDM-UHFFFAOYSA-N 0 0 246.222 2.118 20 5 BEBDRN O=[N+]([O-])c1ccc(OCc2ccon2)cc1 ZINC000076421671 359280604 /nfs/dbraw/zinc/28/06/04/359280604.db2.gz BNEUCMXPNSUUNH-UHFFFAOYSA-N 0 0 220.184 2.162 20 5 BEBDRN CC1(CNc2cccnc2[N+](=O)[O-])CC1 ZINC000224431962 359681117 /nfs/dbraw/zinc/68/11/17/359681117.db2.gz OSHVXYUYCWENGO-UHFFFAOYSA-N 0 0 207.233 2.202 20 5 BEBDRN CC(C)[C@H]1CCN1c1ncccc1[N+](=O)[O-] ZINC000450808916 202272753 /nfs/dbraw/zinc/27/27/53/202272753.db2.gz ILNQAFBSRXGPTM-SECBINFHSA-N 0 0 221.260 2.225 20 5 BEBDRN CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000054256636 359736711 /nfs/dbraw/zinc/73/67/11/359736711.db2.gz MNCHGGVDVVHWLI-UHFFFAOYSA-N 0 0 236.271 2.252 20 5 BEBDRN CCOC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000169204970 359775262 /nfs/dbraw/zinc/77/52/62/359775262.db2.gz XTIYTNIZPQPWAT-UHFFFAOYSA-N 0 0 223.228 2.009 20 5 BEBDRN C[C@@H](O)CCCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000450889980 202300493 /nfs/dbraw/zinc/30/04/93/202300493.db2.gz SXIDQLCPTNNBBQ-MRVPVSSYSA-N 0 0 243.234 2.274 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1C[C@H]1C1CC1 ZINC000450928980 202312101 /nfs/dbraw/zinc/31/21/01/202312101.db2.gz SYWOTLDDWPWICS-JQWIXIFHSA-N 0 0 247.298 2.178 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[C@H]3C2)cn1 ZINC000578494863 366578860 /nfs/dbraw/zinc/57/88/60/366578860.db2.gz RCFWIOMVTDRGFQ-UWVGGRQHSA-N 0 0 233.271 2.226 20 5 BEBDRN Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccccc1 ZINC000138079790 359858390 /nfs/dbraw/zinc/85/83/90/359858390.db2.gz STZKXNJTJAWSAZ-UHFFFAOYSA-N 0 0 245.238 2.186 20 5 BEBDRN Cc1cnc(S[C@@H](C)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000078671113 219831835 /nfs/dbraw/zinc/83/18/35/219831835.db2.gz SWEVBRNDPOCDBL-SFYZADRCSA-N 0 0 242.300 2.160 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCc2ccco2)nc1 ZINC000037976801 360627368 /nfs/dbraw/zinc/62/73/68/360627368.db2.gz YYAOIOOKTVZBFS-UHFFFAOYSA-N 0 0 233.227 2.237 20 5 BEBDRN NC(=O)c1cc2ccccc2c2cccnc12 ZINC000079953510 370706998 /nfs/dbraw/zinc/70/69/98/370706998.db2.gz DVKGXSXTYBQUJP-UHFFFAOYSA-N 0 0 222.247 2.487 20 5 BEBDRN Cc1cc(-n2ccnc2)c([N+](=O)[O-])s1 ZINC001641990725 1172315839 /nfs/dbraw/zinc/31/58/39/1172315839.db2.gz PGWKEFKTMBCTJF-UHFFFAOYSA-N 0 0 209.230 2.150 20 5 BEBDRN CCN(CC)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669417 364458743 /nfs/dbraw/zinc/45/87/43/364458743.db2.gz JBCJMTBBDVMSRW-UHFFFAOYSA-N 0 0 240.234 2.216 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCC(C)(C)O ZINC000037696670 364525274 /nfs/dbraw/zinc/52/52/74/364525274.db2.gz CJNMBLIDZNMNPT-UHFFFAOYSA-N 0 0 225.244 2.053 20 5 BEBDRN CC[C@H](O)COc1cccc(C)c1[N+](=O)[O-] ZINC000037694757 364525843 /nfs/dbraw/zinc/52/58/43/364525843.db2.gz DJJZXMBIGPSJIL-VIFPVBQESA-N 0 0 225.244 2.053 20 5 BEBDRN Cc1cc(F)ccc1Cn1cnc([N+](=O)[O-])c1 ZINC000181977957 366857147 /nfs/dbraw/zinc/85/71/47/366857147.db2.gz UILJWUOWMFCPFH-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1S[C@@H]1CCOC1 ZINC000579544077 366857445 /nfs/dbraw/zinc/85/74/45/366857445.db2.gz APTLZYDCWIZTIF-SECBINFHSA-N 0 0 240.284 2.179 20 5 BEBDRN C[C@@H]1CSC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000309113848 541386569 /nfs/dbraw/zinc/38/65/69/541386569.db2.gz KQNXRRWAACSYKO-RITPCOANSA-N 0 0 245.329 2.215 20 5 BEBDRN Cc1cc(OCCC2(O)CC2)ccc1[N+](=O)[O-] ZINC000442913404 193003962 /nfs/dbraw/zinc/00/39/62/193003962.db2.gz ICPKYGJFKORNHG-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN CC1CCC(Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000185523976 367134652 /nfs/dbraw/zinc/13/46/52/367134652.db2.gz SOJXSAFKJLYDTC-UHFFFAOYSA-N 0 0 224.264 2.013 20 5 BEBDRN COC[C@@H](C)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000194241199 367266914 /nfs/dbraw/zinc/26/69/14/367266914.db2.gz LKNSHAQLTLWPGA-MRVPVSSYSA-N 0 0 244.316 2.123 20 5 BEBDRN COC[C@H](C)N(C)Cc1csc([N+](=O)[O-])c1 ZINC000194241182 367267099 /nfs/dbraw/zinc/26/70/99/367267099.db2.gz LKNSHAQLTLWPGA-QMMMGPOBSA-N 0 0 244.316 2.123 20 5 BEBDRN Cc1cc(NCc2ccncn2)ccc1[N+](=O)[O-] ZINC000054789844 367367852 /nfs/dbraw/zinc/36/78/52/367367852.db2.gz WLQHZVOWDMOYQL-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000018207650 367961677 /nfs/dbraw/zinc/96/16/77/367961677.db2.gz ZUNGVASQJCELIF-ZCFIWIBFSA-N 0 0 240.284 2.185 20 5 BEBDRN CC[C@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000057071273 368480484 /nfs/dbraw/zinc/48/04/84/368480484.db2.gz OJNUUNNYRHRTAW-YUMQZZPRSA-N 0 0 240.259 2.352 20 5 BEBDRN CC[C@@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000057073920 368481394 /nfs/dbraw/zinc/48/13/94/368481394.db2.gz YEWIODLEVCOWRW-SFYZADRCSA-N 0 0 239.275 2.087 20 5 BEBDRN CCOCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000060706446 368551266 /nfs/dbraw/zinc/55/12/66/368551266.db2.gz GHOMNQLVHDYVFD-UHFFFAOYSA-N 0 0 225.244 2.319 20 5 BEBDRN CCCN(C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000063602774 368590045 /nfs/dbraw/zinc/59/00/45/368590045.db2.gz GBSPZCGSQYASEU-UHFFFAOYSA-N 0 0 236.271 2.385 20 5 BEBDRN O=[N+]([O-])c1cccc(OCc2ccno2)c1 ZINC000067769339 368698372 /nfs/dbraw/zinc/69/83/72/368698372.db2.gz LGIBBJLUPFXCOG-UHFFFAOYSA-N 0 0 220.184 2.162 20 5 BEBDRN CC(C)[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000069675047 368757635 /nfs/dbraw/zinc/75/76/35/368757635.db2.gz MUHNRGYEKVTOSJ-SECBINFHSA-N 0 0 236.271 2.369 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1Nc1cn[nH]c1 ZINC000153570395 369029559 /nfs/dbraw/zinc/02/95/59/369029559.db2.gz RVKKBACQXMRRKG-UHFFFAOYSA-N 0 0 239.622 2.110 20 5 BEBDRN O=[N+]([O-])c1sccc1NC[C@H]1CCCO1 ZINC000063256026 370144648 /nfs/dbraw/zinc/14/46/48/370144648.db2.gz YSTRQIMPLGVDQM-SSDOTTSWSA-N 0 0 228.273 2.247 20 5 BEBDRN COCCCCNc1ccsc1[N+](=O)[O-] ZINC000063262440 370145381 /nfs/dbraw/zinc/14/53/81/370145381.db2.gz UXMYECIZDDNPRR-UHFFFAOYSA-N 0 0 230.289 2.495 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCCC1(O)CCC1 ZINC000309571169 370230529 /nfs/dbraw/zinc/23/05/29/370230529.db2.gz MXIVYWZYYZAUBZ-UHFFFAOYSA-N 0 0 242.300 2.373 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148809 370544709 /nfs/dbraw/zinc/54/47/09/370544709.db2.gz XZUHYYZRUVGCBR-WPRPVWTQSA-N 0 0 246.266 2.140 20 5 BEBDRN C[C@@H]1C[C@H](C)N1c1ncc([N+](=O)[O-])s1 ZINC000619698138 370583556 /nfs/dbraw/zinc/58/35/56/370583556.db2.gz IGNNQKAGIMCCGG-OLQVQODUSA-N 0 0 213.262 2.038 20 5 BEBDRN CC(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])s1 ZINC000078661273 370586297 /nfs/dbraw/zinc/58/62/97/370586297.db2.gz LUICUIZCFMTEIC-MRVPVSSYSA-N 0 0 244.316 2.475 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NCC(C)(F)F ZINC000378732011 371016665 /nfs/dbraw/zinc/01/66/65/371016665.db2.gz LILVDNGKOSRWCM-UHFFFAOYSA-N 0 0 231.202 2.365 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]2O)c(Cl)c1 ZINC000378752010 371019415 /nfs/dbraw/zinc/01/94/15/371019415.db2.gz VLNYRXBKKSHDPN-NXEZZACHSA-N 0 0 242.662 2.183 20 5 BEBDRN Cc1cccc(C(=O)NC2CC=CC2)c1[N+](=O)[O-] ZINC000154329077 371101524 /nfs/dbraw/zinc/10/15/24/371101524.db2.gz YVRBKOCKKRWPBK-UHFFFAOYSA-N 0 0 246.266 2.352 20 5 BEBDRN CCCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC000019651533 371180803 /nfs/dbraw/zinc/18/08/03/371180803.db2.gz BCTACEPFZLIWOT-UHFFFAOYSA-N 0 0 209.249 2.226 20 5 BEBDRN C[C@H](CO)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000155272822 371216840 /nfs/dbraw/zinc/21/68/40/371216840.db2.gz NEDRRRLRKCYLSN-SSDOTTSWSA-N 0 0 245.662 2.255 20 5 BEBDRN O=[N+]([O-])c1ccccc1CNCc1cccnc1 ZINC000020141266 371235716 /nfs/dbraw/zinc/23/57/16/371235716.db2.gz XAILGAVFWPVABA-UHFFFAOYSA-N 0 0 243.266 2.280 20 5 BEBDRN Cc1ccc(CN2CC3(CC3)C2)cc1[N+](=O)[O-] ZINC000334742889 371519396 /nfs/dbraw/zinc/51/93/96/371519396.db2.gz NQLHBNSUOFAVCS-UHFFFAOYSA-N 0 0 232.283 2.499 20 5 BEBDRN O=[N+]([O-])c1ncccc1NC1CC=CC1 ZINC000131104816 371558438 /nfs/dbraw/zinc/55/84/38/371558438.db2.gz VCXPJGQGDZCEPT-UHFFFAOYSA-N 0 0 205.217 2.120 20 5 BEBDRN Cn1c(-c2nc(C3(C)CC3)no2)ccc1[N+](=O)[O-] ZINC000351181392 371612124 /nfs/dbraw/zinc/61/21/24/371612124.db2.gz ZPTIGQVZEHTTQB-UHFFFAOYSA-N 0 0 248.242 2.035 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC=CC1 ZINC000162393513 371671379 /nfs/dbraw/zinc/67/13/79/371671379.db2.gz NVJIWZGIODRZRP-UHFFFAOYSA-N 0 0 247.254 2.435 20 5 BEBDRN C/C=C\CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000600489449 371673280 /nfs/dbraw/zinc/67/32/80/371673280.db2.gz GPNOGNYUZGRTBI-IHWYPQMZSA-N 0 0 248.282 2.220 20 5 BEBDRN CCC(C)(C)C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000351656060 371652022 /nfs/dbraw/zinc/65/20/22/371652022.db2.gz QKVJCUMSZPBZFS-UHFFFAOYSA-N 0 0 239.275 2.105 20 5 BEBDRN C[C@H]1C[C@@H]1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000600530191 371681616 /nfs/dbraw/zinc/68/16/16/371681616.db2.gz OIHOSLJRMGXVDI-NKWVEPMBSA-N 0 0 242.662 2.066 20 5 BEBDRN CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000600891329 371709774 /nfs/dbraw/zinc/70/97/74/371709774.db2.gz ZDQDNDWOPSHGCM-UHFFFAOYSA-N 0 0 248.282 2.153 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCC[C@H](O)C(F)F ZINC000601223911 371739316 /nfs/dbraw/zinc/73/93/16/371739316.db2.gz SHLUQDFDZOCASP-VIFPVBQESA-N 0 0 246.213 2.023 20 5 BEBDRN CN(CCF)c1ccc(F)cc1[N+](=O)[O-] ZINC000601170271 371734159 /nfs/dbraw/zinc/73/41/59/371734159.db2.gz NOPBWPMNWRSUSO-UHFFFAOYSA-N 0 0 216.187 2.140 20 5 BEBDRN CC(C)(F)CNc1ncccc1[N+](=O)[O-] ZINC000601206048 371736935 /nfs/dbraw/zinc/73/69/35/371736935.db2.gz NBJFCPNNYSECMP-UHFFFAOYSA-N 0 0 213.212 2.150 20 5 BEBDRN C[C@H]1C[C@@H]1COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000600534309 371681997 /nfs/dbraw/zinc/68/19/97/371681997.db2.gz VDZDCDKMMPRTAJ-WCBMZHEXSA-N 0 0 237.255 2.122 20 5 BEBDRN Cc1cnc(OC[C@@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000600538290 371683043 /nfs/dbraw/zinc/68/30/43/371683043.db2.gz UPQCSUSYAZSRRG-IUCAKERBSA-N 0 0 222.244 2.333 20 5 BEBDRN O=[N+]([O-])c1cnc(N2OC3CCC2CC3)s1 ZINC000601272796 371744665 /nfs/dbraw/zinc/74/46/65/371744665.db2.gz LRWGNYQGPKTQHO-UHFFFAOYSA-N 0 0 241.272 2.114 20 5 BEBDRN CCCSCCn1c(C)ncc1[N+](=O)[O-] ZINC000601916524 371775948 /nfs/dbraw/zinc/77/59/48/371775948.db2.gz IAYCLCYKPNOJRU-UHFFFAOYSA-N 0 0 229.305 2.243 20 5 BEBDRN CC1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602637577 371826427 /nfs/dbraw/zinc/82/64/27/371826427.db2.gz FYBAYJNKXPVWCT-UHFFFAOYSA-N 0 0 247.254 2.188 20 5 BEBDRN CCc1ccc(C(=O)N2CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000603265425 371878210 /nfs/dbraw/zinc/87/82/10/371878210.db2.gz GNRIZBNBQZWXRY-VIFPVBQESA-N 0 0 248.282 2.392 20 5 BEBDRN Cc1nn(CC(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000603322562 371884774 /nfs/dbraw/zinc/88/47/74/371884774.db2.gz VIBYDNKMWURLLY-UHFFFAOYSA-N 0 0 234.259 2.304 20 5 BEBDRN CC(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602800861 371842672 /nfs/dbraw/zinc/84/26/72/371842672.db2.gz XRSDGTMLMGPOIB-UHFFFAOYSA-N 0 0 248.282 2.148 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1C2CCC1CC2 ZINC000603845627 371934747 /nfs/dbraw/zinc/93/47/47/371934747.db2.gz BOMHTRMXYMUXAV-UHFFFAOYSA-N 0 0 219.244 2.121 20 5 BEBDRN C[C@H]1C[C@H](C)CN(c2cccnc2[N+](=O)[O-])C1 ZINC000603836966 371933021 /nfs/dbraw/zinc/93/30/21/371933021.db2.gz FYYRIJBCJTYBGV-UWVGGRQHSA-N 0 0 235.287 2.472 20 5 BEBDRN C[C@@H]1CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000604403179 371974177 /nfs/dbraw/zinc/97/41/77/371974177.db2.gz SHYFUTWJMGFRGC-SSDOTTSWSA-N 0 0 210.208 2.333 20 5 BEBDRN C[C@@H](NCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000228512254 372039175 /nfs/dbraw/zinc/03/91/75/372039175.db2.gz KAJCYSREEUVRJA-SSDOTTSWSA-N 0 0 230.214 2.338 20 5 BEBDRN CCOCCOc1cccc([N+](=O)[O-])c1 ZINC000058854451 372103101 /nfs/dbraw/zinc/10/31/01/372103101.db2.gz WXJRNYVYROSFOH-UHFFFAOYSA-N 0 0 211.217 2.010 20 5 BEBDRN Cc1nccn1Cc1c(F)cccc1[N+](=O)[O-] ZINC000171615526 372710863 /nfs/dbraw/zinc/71/08/63/372710863.db2.gz MPSHESRKUUGVCM-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN O=C(NC1CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000135059335 182099878 /nfs/dbraw/zinc/09/98/78/182099878.db2.gz HUNDZBCGMMSTCI-UHFFFAOYSA-N 0 0 240.646 2.140 20 5 BEBDRN O=C(NC1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000298637214 182111431 /nfs/dbraw/zinc/11/14/31/182111431.db2.gz OEJRANUPSIYMLR-UHFFFAOYSA-N 0 0 240.284 2.329 20 5 BEBDRN CN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCCC1 ZINC000041908390 374213731 /nfs/dbraw/zinc/21/37/31/374213731.db2.gz QBICXKCNNBPPPI-UHFFFAOYSA-N 0 0 238.243 2.202 20 5 BEBDRN O=C(N[C@H]1CC=CCC1)c1ccccc1[N+](=O)[O-] ZINC000172495565 182326950 /nfs/dbraw/zinc/32/69/50/182326950.db2.gz FMLZZXOJJIZBOD-JTQLQIEISA-N 0 0 246.266 2.433 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(F)F ZINC000294219993 182371634 /nfs/dbraw/zinc/37/16/34/182371634.db2.gz KHLHQYSJSAZQDH-QMMMGPOBSA-N 0 0 242.181 2.189 20 5 BEBDRN CCCCNc1c([N+](=O)[O-])c(CC)nn1C ZINC000085020724 168877903 /nfs/dbraw/zinc/87/79/03/168877903.db2.gz PNKGITHOXVRVMY-UHFFFAOYSA-N 0 0 226.280 2.103 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1NCCCCO ZINC000236505229 182932692 /nfs/dbraw/zinc/93/26/92/182932692.db2.gz CDLIPSPGPUPCDL-UHFFFAOYSA-N 0 0 244.678 2.433 20 5 BEBDRN O=[N+]([O-])c1ccccc1CSCCCO ZINC000085163108 182949074 /nfs/dbraw/zinc/94/90/74/182949074.db2.gz GDCKJBLJYWXQGF-UHFFFAOYSA-N 0 0 227.285 2.210 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@H]1C[C@H]1C1CC1 ZINC000309519183 182953562 /nfs/dbraw/zinc/95/35/62/182953562.db2.gz STXOECNRHMSFHA-IUCAKERBSA-N 0 0 219.244 2.200 20 5 BEBDRN O=[N+]([O-])c1cnccc1S[C@H]1CCCOC1 ZINC000361058368 182960631 /nfs/dbraw/zinc/96/06/31/182960631.db2.gz PDRGLHOWKNVWBL-QMMMGPOBSA-N 0 0 240.284 2.261 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC2CC2)c(Cl)c1 ZINC000227648751 182957377 /nfs/dbraw/zinc/95/73/77/182957377.db2.gz MUJNHLIRUZIXLD-UHFFFAOYSA-N 0 0 227.651 2.465 20 5 BEBDRN CCCC[C@H](C)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000290852491 168989971 /nfs/dbraw/zinc/98/99/71/168989971.db2.gz PWICUDHJJVNAMJ-VIFPVBQESA-N 0 0 238.291 2.400 20 5 BEBDRN CCCCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000265486335 169036807 /nfs/dbraw/zinc/03/68/07/169036807.db2.gz GTXOWTYKCGXZFH-UHFFFAOYSA-N 0 0 230.651 2.210 20 5 BEBDRN CCCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000049481008 169056479 /nfs/dbraw/zinc/05/64/79/169056479.db2.gz PAATVPTULCZXDV-UHFFFAOYSA-N 0 0 237.259 2.469 20 5 BEBDRN CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000299463528 169062519 /nfs/dbraw/zinc/06/25/19/169062519.db2.gz YKAAMHPCYIOQDS-UHFFFAOYSA-N 0 0 222.244 2.077 20 5 BEBDRN CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000299464446 169062594 /nfs/dbraw/zinc/06/25/94/169062594.db2.gz ZJALNOJIFSZJKD-UHFFFAOYSA-N 0 0 236.271 2.385 20 5 BEBDRN CCCN(c1ncc([N+](=O)[O-])s1)C1CC1 ZINC000190338964 169183705 /nfs/dbraw/zinc/18/37/05/169183705.db2.gz JAHIMEOJJRUVKD-UHFFFAOYSA-N 0 0 227.289 2.430 20 5 BEBDRN CCCNC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000007518053 169254575 /nfs/dbraw/zinc/25/45/75/169254575.db2.gz NRJXBIWGFFFCQF-UHFFFAOYSA-N 0 0 239.300 2.291 20 5 BEBDRN CCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000121839415 169250339 /nfs/dbraw/zinc/25/03/39/169250339.db2.gz HMUNQDARIFAJFP-UHFFFAOYSA-N 0 0 222.244 2.043 20 5 BEBDRN CCCNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000173252580 169251524 /nfs/dbraw/zinc/25/15/24/169251524.db2.gz YGCIYRQGDHOQLS-UHFFFAOYSA-N 0 0 236.271 2.297 20 5 BEBDRN CCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000006138700 169252609 /nfs/dbraw/zinc/25/26/09/169252609.db2.gz LCEHKGHWZQRYJB-UHFFFAOYSA-N 0 0 222.244 2.043 20 5 BEBDRN CC1(CNc2ncccc2[N+](=O)[O-])CC1 ZINC000224426645 134347170 /nfs/dbraw/zinc/34/71/70/134347170.db2.gz AXRHVTQKDAMDJI-UHFFFAOYSA-N 0 0 207.233 2.202 20 5 BEBDRN C[C@H](CCO)CNc1c(F)cccc1[N+](=O)[O-] ZINC000288213987 383827085 /nfs/dbraw/zinc/82/70/85/383827085.db2.gz DHHIYIHAJAOMIS-MRVPVSSYSA-N 0 0 242.250 2.164 20 5 BEBDRN CC1(C)C[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000048553653 383853832 /nfs/dbraw/zinc/85/38/32/383853832.db2.gz ZZDUTBYVBSYGQU-MRVPVSSYSA-N 0 0 207.233 2.200 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@H](CC3CC3)C2)nc1 ZINC000338813649 383830628 /nfs/dbraw/zinc/83/06/28/383830628.db2.gz VZIGFGCXKCLUCB-SNVBAGLBSA-N 0 0 248.286 2.011 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H]2F)nc1 ZINC000338825712 383832941 /nfs/dbraw/zinc/83/29/41/383832941.db2.gz XSLAVQJEGQIROQ-BDAKNGLRSA-N 0 0 225.223 2.292 20 5 BEBDRN C[C@H](CO)CSc1c(F)cccc1[N+](=O)[O-] ZINC000288469394 383894423 /nfs/dbraw/zinc/89/44/23/383894423.db2.gz QJKDMGXUMNYCFX-SSDOTTSWSA-N 0 0 245.275 2.454 20 5 BEBDRN CC[C@@H](C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000288495604 383898683 /nfs/dbraw/zinc/89/86/83/383898683.db2.gz FWGMWOZROLQEPL-SSDOTTSWSA-N 0 0 226.280 2.330 20 5 BEBDRN Nc1ccc(OC2CCCC2)cc1[N+](=O)[O-] ZINC000288665967 383944791 /nfs/dbraw/zinc/94/47/91/383944791.db2.gz RTOUKLLTYWHHJW-UHFFFAOYSA-N 0 0 222.244 2.498 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1OCC1(O)CCC1 ZINC000339321121 383959631 /nfs/dbraw/zinc/95/96/31/383959631.db2.gz RLCYULFYJPUXAE-UHFFFAOYSA-N 0 0 241.218 2.028 20 5 BEBDRN CC1(C)SC[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000309373092 383974035 /nfs/dbraw/zinc/97/40/35/383974035.db2.gz CHNGVZBWUIUQFH-SECBINFHSA-N 0 0 239.300 2.296 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[C@H]3C2)nc1 ZINC000268107285 384006663 /nfs/dbraw/zinc/00/66/63/384006663.db2.gz BQANJVJGWIFZFW-UWVGGRQHSA-N 0 0 233.271 2.226 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC12CC2 ZINC000334995603 384008497 /nfs/dbraw/zinc/00/84/97/384008497.db2.gz QLYJEBKMUHLFME-SNVBAGLBSA-N 0 0 232.239 2.333 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC12CC2 ZINC000335055261 384014461 /nfs/dbraw/zinc/01/44/61/384014461.db2.gz GMUKXJDJOUATAG-SNVBAGLBSA-N 0 0 247.254 2.269 20 5 BEBDRN CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000000346061 384081065 /nfs/dbraw/zinc/08/10/65/384081065.db2.gz LVADKDJSNQETBO-UHFFFAOYSA-N 0 0 208.217 2.170 20 5 BEBDRN CN(Cc1cccnc1)c1ccncc1[N+](=O)[O-] ZINC000340152054 384110926 /nfs/dbraw/zinc/11/09/26/384110926.db2.gz KGBIMUJTLHUBSG-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN CN(C[C@@H]1CCCO1)c1ccsc1[N+](=O)[O-] ZINC000610515315 384175418 /nfs/dbraw/zinc/17/54/18/384175418.db2.gz RJQWBTHJTLKINT-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN O=[N+]([O-])c1cc(CN2CC[C@H](F)C2)cs1 ZINC000336222697 384163038 /nfs/dbraw/zinc/16/30/38/384163038.db2.gz CKCWVGHPYKFCKF-QMMMGPOBSA-N 0 0 230.264 2.200 20 5 BEBDRN C[C@H]1OCC[C@H]1Sc1ccncc1[N+](=O)[O-] ZINC000361076314 384184908 /nfs/dbraw/zinc/18/49/08/384184908.db2.gz XNLLUERZADPWAT-VXNVDRBHSA-N 0 0 240.284 2.259 20 5 BEBDRN C[C@H](Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000135251006 384196344 /nfs/dbraw/zinc/19/63/44/384196344.db2.gz XHPIMJPQOVKMCR-UWVGGRQHSA-N 0 0 236.271 2.432 20 5 BEBDRN CCO[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000579191605 384196753 /nfs/dbraw/zinc/19/67/53/384196753.db2.gz BRUFMWNIYNNEIZ-WDEREUQCSA-N 0 0 240.234 2.323 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1N1CCC1 ZINC000286065764 384239183 /nfs/dbraw/zinc/23/91/83/384239183.db2.gz IVOMLLNVCFSFDX-UHFFFAOYSA-N 0 0 212.636 2.458 20 5 BEBDRN CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000285846273 384220848 /nfs/dbraw/zinc/22/08/48/384220848.db2.gz CPOVLOLJFMVUPR-UHFFFAOYSA-N 0 0 242.225 2.467 20 5 BEBDRN Cn1cc(Nc2c(F)cccc2[N+](=O)[O-])cn1 ZINC000336723283 384257053 /nfs/dbraw/zinc/25/70/53/384257053.db2.gz YRYXXPYDNXMCQY-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN CN(CCCCCO)c1ccccc1[N+](=O)[O-] ZINC000227109087 384267546 /nfs/dbraw/zinc/26/75/46/384267546.db2.gz BMRIKCZOJNYCPB-UHFFFAOYSA-N 0 0 238.287 2.194 20 5 BEBDRN C[C@H](Nc1ncc([N+](=O)[O-])s1)c1ccon1 ZINC000336783121 384276773 /nfs/dbraw/zinc/27/67/73/384276773.db2.gz ZLRZKOLPBZMYCS-YFKPBYRVSA-N 0 0 240.244 2.212 20 5 BEBDRN CC[C@H](O)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000229993970 384343025 /nfs/dbraw/zinc/34/30/25/384343025.db2.gz RCXMGJONKAYFQR-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN COCC[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000045022815 384370143 /nfs/dbraw/zinc/37/01/43/384370143.db2.gz XFVQPYHQQUBYAS-VIFPVBQESA-N 0 0 224.260 2.432 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(OCC2CC2)n1 ZINC000359592547 384403502 /nfs/dbraw/zinc/40/35/02/384403502.db2.gz YQBCOKWEYMUIPA-UHFFFAOYSA-N 0 0 222.244 2.395 20 5 BEBDRN COC[C@@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359093945 384378027 /nfs/dbraw/zinc/37/80/27/384378027.db2.gz KOUZYMLRCPSDDQ-SECBINFHSA-N 0 0 239.275 2.053 20 5 BEBDRN Cc1nnc(Oc2ccccc2[N+](=O)[O-])nc1C ZINC000359194438 384378340 /nfs/dbraw/zinc/37/83/40/384378340.db2.gz MADVKHDZCSCCQB-UHFFFAOYSA-N 0 0 246.226 2.189 20 5 BEBDRN CC[C@](C)(CO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000135832302 384382795 /nfs/dbraw/zinc/38/27/95/384382795.db2.gz RWWYKPXKIUUDNV-LLVKDONJSA-N 0 0 242.250 2.307 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2ncccc2O)cc1 ZINC000359903492 384455461 /nfs/dbraw/zinc/45/54/61/384455461.db2.gz RGKFRQAVALXQQC-UHFFFAOYSA-N 0 0 245.238 2.308 20 5 BEBDRN CC(=O)c1cc([N+](=O)[O-])ccc1NCCF ZINC000287522986 384437952 /nfs/dbraw/zinc/43/79/52/384437952.db2.gz ATNHHXWDYWULJU-UHFFFAOYSA-N 0 0 226.207 2.179 20 5 BEBDRN CSCCNc1ccccc1[N+](=O)[O-] ZINC000070183897 384464834 /nfs/dbraw/zinc/46/48/34/384464834.db2.gz VBLNRADTRXSCKI-UHFFFAOYSA-N 0 0 212.274 2.370 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CCOC2)c(Cl)c1 ZINC000070966107 384484052 /nfs/dbraw/zinc/48/40/52/384484052.db2.gz LGNHMYSPVZLRLE-ZETCQYMHSA-N 0 0 242.662 2.449 20 5 BEBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC1CC1 ZINC000048792725 384507970 /nfs/dbraw/zinc/50/79/70/384507970.db2.gz NUWSYKFTXNVZGX-YVMONPNESA-N 0 0 246.266 2.134 20 5 BEBDRN Cc1cnc(CNc2cc(C)c([N+](=O)[O-])cn2)o1 ZINC000226804987 384524551 /nfs/dbraw/zinc/52/45/51/384524551.db2.gz KQJKVSNPGXJRNQ-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1OCCF ZINC000340710244 384557859 /nfs/dbraw/zinc/55/78/59/384557859.db2.gz YJGYLHIYIPDDPJ-UHFFFAOYSA-N 0 0 203.144 2.082 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(OCCSC)c1 ZINC000564727495 384566097 /nfs/dbraw/zinc/56/60/97/384566097.db2.gz FLIWCUDWOSNTCE-UHFFFAOYSA-N 0 0 243.284 2.345 20 5 BEBDRN CC[C@H](COc1cccc([N+](=O)[O-])c1)OC ZINC000416880913 384628576 /nfs/dbraw/zinc/62/85/76/384628576.db2.gz FNSYBVOYQPYCTH-SNVBAGLBSA-N 0 0 225.244 2.399 20 5 BEBDRN CCC[C@H](CNc1ccc([N+](=O)[O-])nc1)OC ZINC000356425608 384638236 /nfs/dbraw/zinc/63/82/36/384638236.db2.gz YWKAZCMMDSVDKP-SNVBAGLBSA-N 0 0 239.275 2.217 20 5 BEBDRN CCN(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000101735400 384687018 /nfs/dbraw/zinc/68/70/18/384687018.db2.gz FCFYIQSWPKQHMV-UHFFFAOYSA-N 0 0 237.259 2.387 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@H]1CC12CCCC2 ZINC000340860758 384721258 /nfs/dbraw/zinc/72/12/58/384721258.db2.gz CGLITPXPCGBEAU-NSHDSACASA-N 0 0 233.271 2.156 20 5 BEBDRN COC[C@@H](C)CNc1ccccc1[N+](=O)[O-] ZINC000044477499 384742564 /nfs/dbraw/zinc/74/25/64/384742564.db2.gz OKUSKFVZLPXTCY-VIFPVBQESA-N 0 0 224.260 2.289 20 5 BEBDRN Cc1sc(C(=O)NC2CCC2)cc1[N+](=O)[O-] ZINC000264367771 384760157 /nfs/dbraw/zinc/76/01/57/384760157.db2.gz CCCKAXGLMGWTTG-UHFFFAOYSA-N 0 0 240.284 2.247 20 5 BEBDRN COc1cccc(N2CC[C@H](F)C2)c1[N+](=O)[O-] ZINC000450604780 384837574 /nfs/dbraw/zinc/83/75/74/384837574.db2.gz MKHRYRQPWCXNKH-QMMMGPOBSA-N 0 0 240.234 2.152 20 5 BEBDRN Cc1ccc(NC[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000104162652 384808207 /nfs/dbraw/zinc/80/82/07/384808207.db2.gz MPEAQOPCCAKHIJ-GFCCVEGCSA-N 0 0 236.271 2.086 20 5 BEBDRN CC[C@H](O)CNc1cccc(C)c1[N+](=O)[O-] ZINC000234036755 384877326 /nfs/dbraw/zinc/87/73/26/384877326.db2.gz ZJVILKQBHNMANQ-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN CC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cn1 ZINC000177046383 384851984 /nfs/dbraw/zinc/85/19/84/384851984.db2.gz HQAYHLXKVMGXIA-SSDOTTSWSA-N 0 0 226.257 2.059 20 5 BEBDRN CCCCC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000175667363 384852363 /nfs/dbraw/zinc/85/23/63/384852363.db2.gz BYGFWRSEAJRMIA-UHFFFAOYSA-N 0 0 237.259 2.427 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC(C)(C)O)c1 ZINC000084726663 384865849 /nfs/dbraw/zinc/86/58/49/384865849.db2.gz UZMOSHAXTCCQJH-UHFFFAOYSA-N 0 0 224.260 2.086 20 5 BEBDRN CN(CCC1CC1)c1ncccc1[N+](=O)[O-] ZINC000120266608 384866145 /nfs/dbraw/zinc/86/61/45/384866145.db2.gz SAROCMVTIRJNSC-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN CCOc1ccccc1Cn1nccc1[N+](=O)[O-] ZINC000119737910 384907873 /nfs/dbraw/zinc/90/78/73/384907873.db2.gz XRLFRDFWFBETDC-UHFFFAOYSA-N 0 0 247.254 2.238 20 5 BEBDRN Cc1cc(COc2ncc(C)cc2[N+](=O)[O-])on1 ZINC000178283554 384932468 /nfs/dbraw/zinc/93/24/68/384932468.db2.gz XPMIMBPPYVIWCF-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CC(C)C(C)(C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000551621579 385022431 /nfs/dbraw/zinc/02/24/31/385022431.db2.gz AVSPSYKNZRPARI-UHFFFAOYSA-N 0 0 240.259 2.352 20 5 BEBDRN C[C@H](CO)CSc1ccc(F)cc1[N+](=O)[O-] ZINC000085016422 385015538 /nfs/dbraw/zinc/01/55/38/385015538.db2.gz YXNDQZKBSFGGPN-SSDOTTSWSA-N 0 0 245.275 2.454 20 5 BEBDRN CCc1cccc(Cn2nccc2[N+](=O)[O-])c1 ZINC000188968222 385052077 /nfs/dbraw/zinc/05/20/77/385052077.db2.gz HCKOFUPEWJOHQS-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN CCc1cccc(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000188929966 385040968 /nfs/dbraw/zinc/04/09/68/385040968.db2.gz JAOGWWWAWUCRPO-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN CC[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])OC ZINC000289742082 385138086 /nfs/dbraw/zinc/13/80/86/385138086.db2.gz HOMUKQNNBWHUDU-NSHDSACASA-N 0 0 238.287 2.109 20 5 BEBDRN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000428086963 385186811 /nfs/dbraw/zinc/18/68/11/385186811.db2.gz XFVVAVCYOJUCMS-GDNZZTSVSA-N 0 0 246.266 2.123 20 5 BEBDRN CSCCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000085426905 385176147 /nfs/dbraw/zinc/17/61/47/385176147.db2.gz HTGJQLCOJUIRQD-UHFFFAOYSA-N 0 0 241.316 2.463 20 5 BEBDRN COCc1noc(-c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000109595805 385180632 /nfs/dbraw/zinc/18/06/32/385180632.db2.gz MKXSVENTHGMYEC-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(=O)n1C1CCCC1 ZINC000096553235 385304465 /nfs/dbraw/zinc/30/44/65/385304465.db2.gz WXQQFURFBXFIKR-UHFFFAOYSA-N 0 0 222.244 2.180 20 5 BEBDRN CN(c1ncc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000153574890 385265170 /nfs/dbraw/zinc/26/51/70/385265170.db2.gz QXNPZRNFYDAHHQ-UHFFFAOYSA-N 0 0 227.651 2.242 20 5 BEBDRN CC[C@H](COC)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000444 385598961 /nfs/dbraw/zinc/59/89/61/385598961.db2.gz RFLQMQZMWUYJBV-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN O=C(/C=C/c1ccccc1[N+](=O)[O-])NC1CCC1 ZINC000264500659 385581298 /nfs/dbraw/zinc/58/12/98/385581298.db2.gz IFJYFKDJLBJTMM-CMDGGOBGSA-N 0 0 246.266 2.277 20 5 BEBDRN Cc1cc(N[C@@H]2CO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000401948148 385587615 /nfs/dbraw/zinc/58/76/15/385587615.db2.gz SJCIDQZJDJRDLO-KOLCDFICSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC[C@H]2CCCO2)c1 ZINC000073170331 385622645 /nfs/dbraw/zinc/62/26/45/385622645.db2.gz ZABUVKSLFTXQLT-SNVBAGLBSA-N 0 0 237.255 2.461 20 5 BEBDRN CC[C@H](CO)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000034583842 385638548 /nfs/dbraw/zinc/63/85/48/385638548.db2.gz BLNWVYSSSFEHAP-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN CCN(C[C@@H](C)OC)c1ccc([N+](=O)[O-])cc1 ZINC000292287990 385638558 /nfs/dbraw/zinc/63/85/58/385638558.db2.gz KEKWOGFQQTTYEK-SNVBAGLBSA-N 0 0 238.287 2.456 20 5 BEBDRN CC[C@@H]1C[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000452766445 385659141 /nfs/dbraw/zinc/65/91/41/385659141.db2.gz ONWNSGOVXCWGKQ-ZJUUUORDSA-N 0 0 248.282 2.371 20 5 BEBDRN Cc1ccc(NC(=O)C(C)(F)F)cc1[N+](=O)[O-] ZINC000292741724 385717931 /nfs/dbraw/zinc/71/79/31/385717931.db2.gz QSUCRWMQGRJQFY-UHFFFAOYSA-N 0 0 244.197 2.497 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC(C3CCC3)C2)nc1 ZINC000343251336 385700251 /nfs/dbraw/zinc/70/02/51/385700251.db2.gz OQPDOKOCOXHOIG-UHFFFAOYSA-N 0 0 233.271 2.226 20 5 BEBDRN C[C@H](CO)CCCNc1ccccc1[N+](=O)[O-] ZINC000230148503 385712225 /nfs/dbraw/zinc/71/22/25/385712225.db2.gz LSAVSPXTQCJESB-JTQLQIEISA-N 0 0 238.287 2.415 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCCSC2)nc1 ZINC000129214668 385740472 /nfs/dbraw/zinc/74/04/72/385740472.db2.gz BXLIZCIQZQMLQP-MRVPVSSYSA-N 0 0 239.300 2.297 20 5 BEBDRN Cc1ncc(CNc2ncc(C)cc2[N+](=O)[O-])o1 ZINC000397841535 385723763 /nfs/dbraw/zinc/72/37/63/385723763.db2.gz CAFALRBYMOCYCR-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN C[C@@H](O)CCCNc1cccc(F)c1[N+](=O)[O-] ZINC000227998124 385798510 /nfs/dbraw/zinc/79/85/10/385798510.db2.gz HYBBFWAVPWHYTF-MRVPVSSYSA-N 0 0 242.250 2.307 20 5 BEBDRN O=[N+]([O-])c1cccc(OCCC2(O)CCC2)c1 ZINC000396796995 385840968 /nfs/dbraw/zinc/84/09/68/385840968.db2.gz SFMQCQDAWZUIET-UHFFFAOYSA-N 0 0 237.255 2.279 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)N(CC(F)F)CC2 ZINC000182748976 385892789 /nfs/dbraw/zinc/89/27/89/385892789.db2.gz BWTXEPFRKKTWRP-UHFFFAOYSA-N 0 0 228.198 2.222 20 5 BEBDRN CSCCN1CCc2ccc([N+](=O)[O-])cc21 ZINC000182753038 385893928 /nfs/dbraw/zinc/89/39/28/385893928.db2.gz WNFSELLOZNKERL-UHFFFAOYSA-N 0 0 238.312 2.320 20 5 BEBDRN O=[N+]([O-])c1cnc2ccccc2c1N1CCC1 ZINC000291708756 385924333 /nfs/dbraw/zinc/92/43/33/385924333.db2.gz VHSAFSVZOTWFTA-UHFFFAOYSA-N 0 0 229.239 2.353 20 5 BEBDRN CC(C)[C@@]1(C)C[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000397182931 385928382 /nfs/dbraw/zinc/92/83/82/385928382.db2.gz JZMRSLQILUFIPX-GZMMTYOYSA-N 0 0 238.291 2.175 20 5 BEBDRN Cc1cccc(NC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000218829544 386026429 /nfs/dbraw/zinc/02/64/29/386026429.db2.gz ZWDHWTJQUQUUJS-UHFFFAOYSA-N 0 0 249.314 2.409 20 5 BEBDRN Cc1ccc(CN2CC(C)C2)cc1[N+](=O)[O-] ZINC000334478580 386167229 /nfs/dbraw/zinc/16/72/29/386167229.db2.gz QTPDMTIQONHEDL-UHFFFAOYSA-N 0 0 220.272 2.355 20 5 BEBDRN Cc1ccc(C(=O)N2C[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000293970898 386203037 /nfs/dbraw/zinc/20/30/37/386203037.db2.gz GPCRGTPBMIWGRV-VHSXEESVSA-N 0 0 248.282 2.384 20 5 BEBDRN O=C(CCC1CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000265192491 386286510 /nfs/dbraw/zinc/28/65/10/386286510.db2.gz MCMPTEFXGPGIBH-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN Cc1nonc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000265005215 386295214 /nfs/dbraw/zinc/29/52/14/386295214.db2.gz NINGAQFDGZDHRO-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN O=[N+]([O-])c1cnc(NCc2ccsc2)nc1 ZINC000063153152 386307902 /nfs/dbraw/zinc/30/79/02/386307902.db2.gz DFHWDOKACJASAI-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1C[C@H](C)C(F)(F)F ZINC000439042799 386309977 /nfs/dbraw/zinc/30/99/77/386309977.db2.gz VCNPGVUMZYFHQS-YFKPBYRVSA-N 0 0 237.181 2.298 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[C@@H]2C)c1 ZINC000294037226 386321487 /nfs/dbraw/zinc/32/14/87/386321487.db2.gz JZAOZNDZTWTUHG-ZJUUUORDSA-N 0 0 248.282 2.384 20 5 BEBDRN CC[C@H](CO)N(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000294153278 386437040 /nfs/dbraw/zinc/43/70/40/386437040.db2.gz QGUJJUCLKBMOPS-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1cnc(NCc2ccccc2[N+](=O)[O-])nc1 ZINC000063048896 386582626 /nfs/dbraw/zinc/58/26/26/386582626.db2.gz CKTATUFMNPGLLY-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CO[C@H](C)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000185646416 386592163 /nfs/dbraw/zinc/59/21/63/386592163.db2.gz ISRMFUDIOQOIAX-MRVPVSSYSA-N 0 0 243.234 2.456 20 5 BEBDRN Cc1csc(CNc2ccncc2[N+](=O)[O-])c1 ZINC000344638055 386542344 /nfs/dbraw/zinc/54/23/44/386542344.db2.gz XJJVNOVIPIIQJR-UHFFFAOYSA-N 0 0 249.295 2.394 20 5 BEBDRN CC1(C)CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000524814061 259692373 /nfs/dbraw/zinc/69/23/73/259692373.db2.gz SXNDCQLLJSVQOM-UHFFFAOYSA-N 0 0 234.255 2.219 20 5 BEBDRN C[C@H](F)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000356677315 386716063 /nfs/dbraw/zinc/71/60/63/386716063.db2.gz PNSOTJFWAFGUMD-QMMMGPOBSA-N 0 0 240.234 2.073 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCCOCC2)c1 ZINC000408446914 386816744 /nfs/dbraw/zinc/81/67/44/386816744.db2.gz SJAURLKAVHHWPW-UHFFFAOYSA-N 0 0 236.271 2.130 20 5 BEBDRN COC(C)(C)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000125356991 386801025 /nfs/dbraw/zinc/80/10/25/386801025.db2.gz LRZWFOFENZGPDK-UHFFFAOYSA-N 0 0 239.275 2.135 20 5 BEBDRN CC/C=C/CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000294898197 386809425 /nfs/dbraw/zinc/80/94/25/386809425.db2.gz DOYRZFFWGIKGPI-ONEGZZNKSA-N 0 0 249.270 2.072 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CCCC2)c(F)c1 ZINC000267082782 386811784 /nfs/dbraw/zinc/81/17/84/386811784.db2.gz YLSABVILXCQPNF-UHFFFAOYSA-N 0 0 224.235 2.330 20 5 BEBDRN CC[C@@H](C)CN(CC)c1c([N+](=O)[O-])ncn1C ZINC000267094388 386812916 /nfs/dbraw/zinc/81/29/16/386812916.db2.gz NJOACWRWAXFVAR-SECBINFHSA-N 0 0 240.307 2.201 20 5 BEBDRN C/C=C(/C)C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000151863672 386899868 /nfs/dbraw/zinc/89/98/68/386899868.db2.gz ZMJKDTUOAYGLLR-DAXSKMNVSA-N 0 0 235.243 2.203 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1OCCCF ZINC000185042630 386934881 /nfs/dbraw/zinc/93/48/81/386934881.db2.gz MQLMSAGPVXISNW-UHFFFAOYSA-N 0 0 217.171 2.472 20 5 BEBDRN Cc1ccnc(N[C@H](C)c2ccon2)c1[N+](=O)[O-] ZINC000341914170 386990562 /nfs/dbraw/zinc/99/05/62/386990562.db2.gz CUAGGMASIZBTPG-MRVPVSSYSA-N 0 0 248.242 2.459 20 5 BEBDRN C/C=C(\C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000267556061 386952154 /nfs/dbraw/zinc/95/21/54/386952154.db2.gz FHIZEARRPCHDMX-XCVCLJGOSA-N 0 0 248.282 2.220 20 5 BEBDRN COC(C)(C)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000074767496 387033577 /nfs/dbraw/zinc/03/35/77/387033577.db2.gz ZNEBNQLOLIQRIM-UHFFFAOYSA-N 0 0 239.275 2.135 20 5 BEBDRN CC[C@@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000121811055 387056016 /nfs/dbraw/zinc/05/60/16/387056016.db2.gz DRKHDORWNYTALT-SECBINFHSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@H](CC(C)(C)O)Nc1ncc([N+](=O)[O-])s1 ZINC000294987643 387014118 /nfs/dbraw/zinc/01/41/18/387014118.db2.gz MSRZUDRBQCKTJP-ZCFIWIBFSA-N 0 0 245.304 2.013 20 5 BEBDRN Cc1cc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)no1 ZINC000185178814 387015355 /nfs/dbraw/zinc/01/53/55/387015355.db2.gz CHBDXDHDFVFNGX-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN COC[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000126228236 387026877 /nfs/dbraw/zinc/02/68/77/387026877.db2.gz OAMAPTUOLCFKTR-GFCCVEGCSA-N 0 0 236.271 2.432 20 5 BEBDRN CO[C@@H](C)CNc1ccccc1[N+](=O)[O-] ZINC000224327134 387125003 /nfs/dbraw/zinc/12/50/03/387125003.db2.gz AHWPUXOZMIJSKJ-QMMMGPOBSA-N 0 0 210.233 2.042 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cn[nH]c2)cc1 ZINC000301103064 387159356 /nfs/dbraw/zinc/15/93/56/387159356.db2.gz UVAOXTNFGUMTEC-UHFFFAOYSA-N 0 0 204.189 2.062 20 5 BEBDRN O=[N+]([O-])c1cccc(NCC[C@H]2CCOC2)c1 ZINC000230102888 387251973 /nfs/dbraw/zinc/25/19/73/387251973.db2.gz KXVZCDWWCQBRHV-JTQLQIEISA-N 0 0 236.271 2.433 20 5 BEBDRN CO[C@H](C)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000224331187 387293960 /nfs/dbraw/zinc/29/39/60/387293960.db2.gz LYXRMSMDMYYSSF-SECBINFHSA-N 0 0 224.260 2.350 20 5 BEBDRN CN(CCC1CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000154159649 387298009 /nfs/dbraw/zinc/29/80/09/387298009.db2.gz YNGUDKYFVPLENK-UHFFFAOYSA-N 0 0 248.282 2.467 20 5 BEBDRN O=[N+]([O-])c1cccnc1SC1CCOCC1 ZINC000270055463 387301872 /nfs/dbraw/zinc/30/18/72/387301872.db2.gz DEKWOMOTRMJDQX-UHFFFAOYSA-N 0 0 240.284 2.261 20 5 BEBDRN CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000168997099 387377273 /nfs/dbraw/zinc/37/72/73/387377273.db2.gz MMRVTLLERJHGDF-UHFFFAOYSA-N 0 0 241.222 2.218 20 5 BEBDRN CC[C@H](F)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000440578013 387343478 /nfs/dbraw/zinc/34/34/78/387343478.db2.gz MBCJZQLXAFYUPZ-QMMMGPOBSA-N 0 0 215.228 2.156 20 5 BEBDRN CCCCN(C)c1cc(N)ccc1[N+](=O)[O-] ZINC000192761440 387431033 /nfs/dbraw/zinc/43/10/33/387431033.db2.gz CQAFESNPOXOLER-UHFFFAOYSA-N 0 0 223.276 2.413 20 5 BEBDRN Cc1cnc(COc2cccc([N+](=O)[O-])c2)nc1 ZINC000361086920 387399102 /nfs/dbraw/zinc/39/91/02/387399102.db2.gz KBXMFSLXZAKWFV-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN CC[C@@](C)(CNc1ccc([N+](=O)[O-])nc1)OC ZINC000322646665 259712967 /nfs/dbraw/zinc/71/29/67/259712967.db2.gz VTHHHFGMRSYUGE-NSHDSACASA-N 0 0 239.275 2.217 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000192799478 387507999 /nfs/dbraw/zinc/50/79/99/387507999.db2.gz PGOWPUABCMHKSH-AOOOYVTPSA-N 0 0 247.298 2.413 20 5 BEBDRN CC/C=C/CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000295964117 387520338 /nfs/dbraw/zinc/52/03/38/387520338.db2.gz NMOOJWGGYLXFNA-ZZXKWVIFSA-N 0 0 248.282 2.220 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(SC[C@@H](C)CO)n1 ZINC000088036478 387525473 /nfs/dbraw/zinc/52/54/73/387525473.db2.gz BPCNAPBIDBGVPB-ZETCQYMHSA-N 0 0 242.300 2.019 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC2CCC2)n1 ZINC000088036152 387526785 /nfs/dbraw/zinc/52/67/85/387526785.db2.gz YKVIVNLYSFZCJM-UHFFFAOYSA-N 0 0 207.233 2.263 20 5 BEBDRN CC1(C)C[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000269738174 387473109 /nfs/dbraw/zinc/47/31/09/387473109.db2.gz ZABIHFFXGLUAOG-JTQLQIEISA-N 0 0 248.282 2.257 20 5 BEBDRN CCOc1cc(N2CC(C)C2)ccc1[N+](=O)[O-] ZINC000548003877 387587447 /nfs/dbraw/zinc/58/74/47/387587447.db2.gz HYMKGWQBHVQQGD-UHFFFAOYSA-N 0 0 236.271 2.450 20 5 BEBDRN O=[N+]([O-])c1sccc1NC1CSC1 ZINC000575544291 387593022 /nfs/dbraw/zinc/59/30/22/387593022.db2.gz HTEZIWQYFXBNPU-UHFFFAOYSA-N 0 0 216.287 2.184 20 5 BEBDRN COCC[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000455 387688654 /nfs/dbraw/zinc/68/86/54/387688654.db2.gz GJHGHKMSWGSWKO-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1cnc(N[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000231145090 388014474 /nfs/dbraw/zinc/01/44/74/388014474.db2.gz GDHBPBNWHCOPOW-QMMMGPOBSA-N 0 0 239.300 2.216 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CC[C@H](F)C2)nc1 ZINC000336660020 388087976 /nfs/dbraw/zinc/08/79/76/388087976.db2.gz BADYFNTWZKVNPZ-YUMQZZPRSA-N 0 0 225.223 2.292 20 5 BEBDRN C[C@H](CNc1c([N+](=O)[O-])ncn1C)CC(F)F ZINC000591965980 388144528 /nfs/dbraw/zinc/14/45/28/388144528.db2.gz VTNOWAYPIZEPRX-LURJTMIESA-N 0 0 248.233 2.032 20 5 BEBDRN C[C@H](CNc1ccncc1[N+](=O)[O-])CC(F)F ZINC000591965977 388144590 /nfs/dbraw/zinc/14/45/90/388144590.db2.gz VSKPPXAHKDDYFM-ZETCQYMHSA-N 0 0 245.229 2.115 20 5 BEBDRN CCN(CCSC)c1cccnc1[N+](=O)[O-] ZINC000591999850 388145214 /nfs/dbraw/zinc/14/52/14/388145214.db2.gz ICKWXKCDUFMBFZ-UHFFFAOYSA-N 0 0 241.316 2.179 20 5 BEBDRN C[C@H](O)CCSc1cccc([N+](=O)[O-])c1 ZINC000313465039 256548588 /nfs/dbraw/zinc/54/85/88/256548588.db2.gz XHAUVZBQRUJVKQ-QMMMGPOBSA-N 0 0 227.285 2.458 20 5 BEBDRN O=[N+]([O-])c1cc(CSc2c[nH]nn2)cs1 ZINC000490418677 388345442 /nfs/dbraw/zinc/34/54/42/388345442.db2.gz NYONMHGIDRHODM-UHFFFAOYSA-N 0 0 242.285 2.067 20 5 BEBDRN CC[C@@H](F)CSCc1c([N+](=O)[O-])ncn1C ZINC000442558701 388354274 /nfs/dbraw/zinc/35/42/74/388354274.db2.gz SDVILMLCFKKNOM-SSDOTTSWSA-N 0 0 247.295 2.310 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CCCSC2)s1 ZINC000226776998 388354829 /nfs/dbraw/zinc/35/48/29/388354829.db2.gz FHROSHVAPMYUFV-LURJTMIESA-N 0 0 245.329 2.359 20 5 BEBDRN CC(C)(CCn1cnc([N+](=O)[O-])n1)C1CC1 ZINC000594454055 388355952 /nfs/dbraw/zinc/35/59/52/388355952.db2.gz RZQNJGIGUBROII-UHFFFAOYSA-N 0 0 224.264 2.013 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1Cc1cc(C2CC2)no1 ZINC000594887123 388370270 /nfs/dbraw/zinc/37/02/70/388370270.db2.gz HBLSSQSTKBRPBM-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN Cc1ccc(OCc2ccn(C)n2)c([N+](=O)[O-])c1 ZINC000271089997 388372682 /nfs/dbraw/zinc/37/26/82/388372682.db2.gz TZGBCKYCYFWYSZ-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[C@H]2C)n1 ZINC000133019523 388374700 /nfs/dbraw/zinc/37/47/00/388374700.db2.gz XZECUPLTSRDGIG-APPZFPTMSA-N 0 0 221.260 2.366 20 5 BEBDRN CSC1(CNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000227991723 388376099 /nfs/dbraw/zinc/37/60/99/388376099.db2.gz HUDPTNXHAOECJZ-UHFFFAOYSA-N 0 0 239.300 2.297 20 5 BEBDRN Cc1nnc(Oc2cccc([N+](=O)[O-])c2)nc1C ZINC000356215209 388389002 /nfs/dbraw/zinc/38/90/02/388389002.db2.gz LSKGAZOHAPAICQ-UHFFFAOYSA-N 0 0 246.226 2.189 20 5 BEBDRN Cc1c(NCc2cncn2C)cccc1[N+](=O)[O-] ZINC000090165920 388393266 /nfs/dbraw/zinc/39/32/66/388393266.db2.gz FURATUWSUTXIQK-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1ccc(NCc2cncn2C)c([N+](=O)[O-])c1 ZINC000090165897 388394216 /nfs/dbraw/zinc/39/42/16/388394216.db2.gz OGXSBAGWFFYVIN-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCCCCCO)s1 ZINC000194947288 388458030 /nfs/dbraw/zinc/45/80/30/388458030.db2.gz NETLPRZRLFVDIQ-UHFFFAOYSA-N 0 0 245.304 2.016 20 5 BEBDRN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)no1 ZINC000008737107 388407566 /nfs/dbraw/zinc/40/75/66/388407566.db2.gz XYUMJSBCRUVETQ-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN Cc1cc(N2CC(F)C2)c([N+](=O)[O-])s1 ZINC000596190928 388407953 /nfs/dbraw/zinc/40/79/53/388407953.db2.gz BMOXWUNUIIYKQV-UHFFFAOYSA-N 0 0 216.237 2.123 20 5 BEBDRN CN(Cc1ccon1)Cc1ccccc1[N+](=O)[O-] ZINC000172653896 388410180 /nfs/dbraw/zinc/41/01/80/388410180.db2.gz BSXUUTHODHMKGH-UHFFFAOYSA-N 0 0 247.254 2.215 20 5 BEBDRN COC[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000054614537 388427778 /nfs/dbraw/zinc/42/77/78/388427778.db2.gz MTBZQSSCTQMMDH-SSDOTTSWSA-N 0 0 228.223 2.181 20 5 BEBDRN CC(C)[C@H](C)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000298471028 388588137 /nfs/dbraw/zinc/58/81/37/388588137.db2.gz PPQQSFUWAINFFP-VIFPVBQESA-N 0 0 223.276 2.471 20 5 BEBDRN CCO[C@H]1C[C@@H]1Nc1c(F)cccc1[N+](=O)[O-] ZINC000553231198 388588909 /nfs/dbraw/zinc/58/89/09/388588909.db2.gz XPDDSFRGXUPSHX-WPRPVWTQSA-N 0 0 240.234 2.323 20 5 BEBDRN C[C@@H](NCc1c[nH]cn1)c1cccc([N+](=O)[O-])c1 ZINC000054765051 388584872 /nfs/dbraw/zinc/58/48/72/388584872.db2.gz NMWFLACWFOKWGT-SECBINFHSA-N 0 0 246.270 2.169 20 5 BEBDRN CC[C@H](C)CNc1c([N+](=O)[O-])c(C)nn1C ZINC000054474314 388685967 /nfs/dbraw/zinc/68/59/67/388685967.db2.gz CITQOUIWYDGYPE-ZETCQYMHSA-N 0 0 226.280 2.095 20 5 BEBDRN CC[C@@H](COC)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000161558245 388671310 /nfs/dbraw/zinc/67/13/10/388671310.db2.gz BNNRKPZYAQJEKP-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN CC1(C)C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000298923479 388676410 /nfs/dbraw/zinc/67/64/10/388676410.db2.gz CENHSKNOHZAMOO-LLVKDONJSA-N 0 0 248.282 2.052 20 5 BEBDRN CC1(C)CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000525336539 388680737 /nfs/dbraw/zinc/68/07/37/388680737.db2.gz ZVHUQERHKWJYCR-UHFFFAOYSA-N 0 0 240.284 2.281 20 5 BEBDRN CC[C@@H](C)CN(CC)c1ncc([N+](=O)[O-])cn1 ZINC000273619165 388619673 /nfs/dbraw/zinc/61/96/73/388619673.db2.gz ODWNGZXTQOJJNQ-SECBINFHSA-N 0 0 238.291 2.257 20 5 BEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000091484518 388630446 /nfs/dbraw/zinc/63/04/46/388630446.db2.gz AWORKJKYAIEWGZ-ZJUUUORDSA-N 0 0 236.271 2.432 20 5 BEBDRN Cc1cc(C(=O)N(C)C(C)C)ccc1[N+](=O)[O-] ZINC000078728617 388684618 /nfs/dbraw/zinc/68/46/18/388684618.db2.gz APOOVVMNLFFTIS-UHFFFAOYSA-N 0 0 236.271 2.384 20 5 BEBDRN CC(C)(F)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000092825580 388736535 /nfs/dbraw/zinc/73/65/35/388736535.db2.gz BVNSRUPDTSUTRH-UHFFFAOYSA-N 0 0 244.197 2.421 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C)O ZINC000276500278 388740536 /nfs/dbraw/zinc/74/05/36/388740536.db2.gz RJKHRMBASMUMFV-SSDOTTSWSA-N 0 0 244.678 2.349 20 5 BEBDRN CC[C@@H]1C[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000448727221 388743910 /nfs/dbraw/zinc/74/39/10/388743910.db2.gz WWQVSBWXVCEDLR-MWLCHTKSSA-N 0 0 248.282 2.257 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CC(F)(F)C2)nc1 ZINC000277236874 388745345 /nfs/dbraw/zinc/74/53/45/388745345.db2.gz UDEJJWDZNQMLGL-UHFFFAOYSA-N 0 0 229.186 2.199 20 5 BEBDRN CSC[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000124738901 388754959 /nfs/dbraw/zinc/75/49/59/388754959.db2.gz YDBFLYFTHPYJCQ-SSDOTTSWSA-N 0 0 227.289 2.153 20 5 BEBDRN CC(C)[C@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301854640 388687153 /nfs/dbraw/zinc/68/71/53/388687153.db2.gz YMJGWRJPZOVAGM-QMMMGPOBSA-N 0 0 249.274 2.094 20 5 BEBDRN CC[C@H](C)CNc1ccc([N+](=O)[O-])cn1 ZINC000054473977 388688995 /nfs/dbraw/zinc/68/89/95/388688995.db2.gz ORJFQEMDLFWPMH-QMMMGPOBSA-N 0 0 209.249 2.448 20 5 BEBDRN Cc1c(OC(=O)C2CC2)cccc1[N+](=O)[O-] ZINC000079863970 388699069 /nfs/dbraw/zinc/69/90/69/388699069.db2.gz SCFOWWGMUSTHPT-UHFFFAOYSA-N 0 0 221.212 2.219 20 5 BEBDRN Cc1nc(N[C@@H]2CC23CC3)ccc1[N+](=O)[O-] ZINC000425270457 388702364 /nfs/dbraw/zinc/70/23/64/388702364.db2.gz GKDNSLQKVZNQNG-SECBINFHSA-N 0 0 219.244 2.263 20 5 BEBDRN O=[N+]([O-])c1ccsc1NC[C@H]1CCCO1 ZINC000301927030 388710717 /nfs/dbraw/zinc/71/07/17/388710717.db2.gz HULTZLKGBLXQCH-SSDOTTSWSA-N 0 0 228.273 2.247 20 5 BEBDRN CCC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1C ZINC000080638487 388712330 /nfs/dbraw/zinc/71/23/30/388712330.db2.gz OSGJLBCFTSECEY-LLVKDONJSA-N 0 0 238.287 2.476 20 5 BEBDRN CC1(CC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000428221674 388720089 /nfs/dbraw/zinc/72/00/89/388720089.db2.gz LELOQMKIEJCKDE-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1C[C@H]2CCCC[C@H]21 ZINC000377350301 388724790 /nfs/dbraw/zinc/72/47/90/388724790.db2.gz KSMSSTBCMZGFKP-NXEZZACHSA-N 0 0 233.271 2.369 20 5 BEBDRN O=[N+]([O-])c1ccc(-n2ccnc2)c2ncccc12 ZINC000070163252 388728372 /nfs/dbraw/zinc/72/83/72/388728372.db2.gz VHXUNFJGBCXQGV-UHFFFAOYSA-N 0 0 240.222 2.329 20 5 BEBDRN CCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000070193855 388729122 /nfs/dbraw/zinc/72/91/22/388729122.db2.gz UKEGORZMYJFHPG-UHFFFAOYSA-N 0 0 222.244 2.043 20 5 BEBDRN CC(C)[C@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000125659829 388802001 /nfs/dbraw/zinc/80/20/01/388802001.db2.gz DQSRNFCAFAIIRX-LLVKDONJSA-N 0 0 224.260 2.024 20 5 BEBDRN CCC1(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000331978899 388781448 /nfs/dbraw/zinc/78/14/48/388781448.db2.gz OKVWZXXJLVRJQJ-UHFFFAOYSA-N 0 0 234.255 2.267 20 5 BEBDRN C[C@H](NC(=O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000280267200 388782465 /nfs/dbraw/zinc/78/24/65/388782465.db2.gz OHZFSTPEJDTQKU-LURJTMIESA-N 0 0 244.197 2.037 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c2[nH]c(C=O)cc21 ZINC000095830376 388788363 /nfs/dbraw/zinc/78/83/63/388788363.db2.gz OHIAUGCJMJFWAX-UHFFFAOYSA-N 0 0 204.185 2.197 20 5 BEBDRN CC(C)C[C@@H](C)Cn1cccc([N+](=O)[O-])c1=O ZINC000280951179 388789004 /nfs/dbraw/zinc/78/90/04/388789004.db2.gz JENPRCYMMJLQPV-SNVBAGLBSA-N 0 0 238.287 2.439 20 5 BEBDRN CC(C)C[C@H](C)Cn1cc([N+](=O)[O-])ccc1=O ZINC000281084778 388789496 /nfs/dbraw/zinc/78/94/96/388789496.db2.gz WTRREHYLAHRHJP-JTQLQIEISA-N 0 0 238.287 2.439 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C)C1 ZINC000299713695 388844547 /nfs/dbraw/zinc/84/45/47/388844547.db2.gz JLNLTTVEROPRSO-VIFPVBQESA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1ccnc(NC2CC=CC2)c1[N+](=O)[O-] ZINC000131099265 388836949 /nfs/dbraw/zinc/83/69/49/388836949.db2.gz BTTHWWCJTJQQGT-UHFFFAOYSA-N 0 0 219.244 2.429 20 5 BEBDRN C[C@@H](CO)[C@H](C)Nc1sccc1[N+](=O)[O-] ZINC000302045524 388837330 /nfs/dbraw/zinc/83/73/30/388837330.db2.gz XZAVIXDNOZDQNN-BQBZGAKWSA-N 0 0 230.289 2.085 20 5 BEBDRN O=[N+]([O-])c1cnc(N(CC2CC2)CC2CC2)nc1 ZINC000302171984 388838658 /nfs/dbraw/zinc/83/86/58/388838658.db2.gz VASNRKJWDLTWPY-UHFFFAOYSA-N 0 0 248.286 2.011 20 5 BEBDRN O=[N+]([O-])c1cccc2c1CC[N@H+](CCCF)C2 ZINC000153218163 388951578 /nfs/dbraw/zinc/95/15/78/388951578.db2.gz UCZQQUFQPMXCOG-UHFFFAOYSA-N 0 0 238.262 2.313 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(=O)n1[C@@H]1C=CCCC1 ZINC000298259560 177636449 /nfs/dbraw/zinc/63/64/49/177636449.db2.gz ODRZXVLELXMTGC-SNVBAGLBSA-N 0 0 234.255 2.346 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2[C@H](C)C[C@H]2C)n1 ZINC000530484741 322815542 /nfs/dbraw/zinc/81/55/42/322815542.db2.gz VGVRSBUQFULTBE-RKDXNWHRSA-N 0 0 221.260 2.285 20 5 BEBDRN CC(C)CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000048807259 166768119 /nfs/dbraw/zinc/76/81/19/166768119.db2.gz YTBFBNLPRSVATQ-UHFFFAOYSA-N 0 0 236.271 2.257 20 5 BEBDRN C[C@@H]1OCCN(c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000268788092 132193066 /nfs/dbraw/zinc/19/30/66/132193066.db2.gz FMDLUIKDNRXGHK-UWVGGRQHSA-N 0 0 236.271 2.208 20 5 BEBDRN C[C@H]1OCCN(c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000268788095 132193088 /nfs/dbraw/zinc/19/30/88/132193088.db2.gz FMDLUIKDNRXGHK-VHSXEESVSA-N 0 0 236.271 2.208 20 5 BEBDRN C[C@@H]1[C@H](C)OCCN1c1ccc([N+](=O)[O-])cc1 ZINC000268822574 132193576 /nfs/dbraw/zinc/19/35/76/132193576.db2.gz PQFRUUULBNVGEI-ZJUUUORDSA-N 0 0 236.271 2.208 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCOC[C@@H]2C2CC2)cc1 ZINC000273445646 132201892 /nfs/dbraw/zinc/20/18/92/132201892.db2.gz DXTWQFIIVDFRDV-CYBMUJFWSA-N 0 0 248.282 2.210 20 5 BEBDRN C[C@H]1CN(c2ccccc2[N+](=O)[O-])CCC1=O ZINC000275352938 132204658 /nfs/dbraw/zinc/20/46/58/132204658.db2.gz JYSNAYQTMHPOIE-VIFPVBQESA-N 0 0 234.255 2.010 20 5 BEBDRN CC1=CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000282124296 132211861 /nfs/dbraw/zinc/21/18/61/132211861.db2.gz BSBCDSSMBKGPFT-UHFFFAOYSA-N 0 0 233.271 2.333 20 5 BEBDRN CC1(C)CN(c2ccccc2[N+](=O)[O-])CCO1 ZINC000301070787 132250909 /nfs/dbraw/zinc/25/09/09/132250909.db2.gz GVWPRCUFVOFPDP-UHFFFAOYSA-N 0 0 236.271 2.210 20 5 BEBDRN CC1=C[C@@H](C)CN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000362376309 132281217 /nfs/dbraw/zinc/28/12/17/132281217.db2.gz QJJSHKYRDVTDLF-SECBINFHSA-N 0 0 233.271 2.392 20 5 BEBDRN CC1=C[C@@H](C)CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000362379005 132281450 /nfs/dbraw/zinc/28/14/50/132281450.db2.gz OQIORGRUAWYIPP-SECBINFHSA-N 0 0 233.271 2.392 20 5 BEBDRN CCC(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000162242228 132444727 /nfs/dbraw/zinc/44/47/27/132444727.db2.gz XXGZKTSTXKMPEU-UHFFFAOYSA-N 0 0 234.255 2.284 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]3CCC[C@@H]32)nc1 ZINC000408362621 133476890 /nfs/dbraw/zinc/47/68/90/133476890.db2.gz PRWHTEVGCFKUKT-ONGXEEELSA-N 0 0 233.271 2.369 20 5 BEBDRN O=C(Nc1ccccc1F)c1ccc([N+](=O)[O-])[nH]1 ZINC000335935327 134012135 /nfs/dbraw/zinc/01/21/35/134012135.db2.gz UMRJXQFOASUZLI-UHFFFAOYSA-N 0 0 249.201 2.314 20 5 BEBDRN C[C@@H]1C[C@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000336067042 134070739 /nfs/dbraw/zinc/07/07/39/134070739.db2.gz XWHQESZTSJFQIN-KNVOCYPGSA-N 0 0 240.284 2.279 20 5 BEBDRN C[C@@H]1C[C@@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000336067043 134070827 /nfs/dbraw/zinc/07/08/27/134070827.db2.gz XWHQESZTSJFQIN-RNFRBKRXSA-N 0 0 240.284 2.279 20 5 BEBDRN CC1(C)C[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000352300707 134139561 /nfs/dbraw/zinc/13/95/61/134139561.db2.gz FKCZJRHJMKGHQQ-SECBINFHSA-N 0 0 248.282 2.371 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1SC[C@@H](C)CO ZINC000085137825 134223826 /nfs/dbraw/zinc/22/38/26/134223826.db2.gz ALNOCOOSYRDBLL-ZETCQYMHSA-N 0 0 242.300 2.019 20 5 BEBDRN CC(C)C(C)(C)CNc1c([N+](=O)[O-])ncn1C ZINC000218911184 134270156 /nfs/dbraw/zinc/27/01/56/134270156.db2.gz SRXHQGDJBQZIAR-UHFFFAOYSA-N 0 0 240.307 2.422 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NCCCCCO ZINC000226501734 134363926 /nfs/dbraw/zinc/36/39/26/134363926.db2.gz ZOHIMJMJFUWTOV-UHFFFAOYSA-N 0 0 238.287 2.478 20 5 BEBDRN Cc1nn(C)c(NC[C@@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000226531124 134364400 /nfs/dbraw/zinc/36/44/00/134364400.db2.gz MPYVPZRHJKCBIS-QMMMGPOBSA-N 0 0 238.291 2.095 20 5 BEBDRN C[C@H]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000230696348 134531533 /nfs/dbraw/zinc/53/15/33/134531533.db2.gz NMDZBNAVSBSSKD-IUCAKERBSA-N 0 0 236.275 2.233 20 5 BEBDRN Cc1c(OCC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000134044515 134699540 /nfs/dbraw/zinc/69/95/40/134699540.db2.gz YDXOFUJVXOAXOY-MRVPVSSYSA-N 0 0 225.244 2.053 20 5 BEBDRN CCOC(C)(C)CNc1ccncc1[N+](=O)[O-] ZINC000159526260 134777625 /nfs/dbraw/zinc/77/76/25/134777625.db2.gz AHOREIJPQOXZLC-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN CCCc1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000194777611 134829382 /nfs/dbraw/zinc/82/93/82/134829382.db2.gz GTSSKOZLAYOYBT-UHFFFAOYSA-N 0 0 246.270 2.187 20 5 BEBDRN O=[N+]([O-])c1cn(CCc2ccccc2)cn1 ZINC000075527643 134961666 /nfs/dbraw/zinc/96/16/66/134961666.db2.gz UUKRIWLGBVSFSN-UHFFFAOYSA-N 0 0 217.228 2.034 20 5 BEBDRN COC[C@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000087150673 135108022 /nfs/dbraw/zinc/10/80/22/135108022.db2.gz KDXTVUOXKRHLLU-VIFPVBQESA-N 0 0 224.260 2.350 20 5 BEBDRN CC(C)(NC(=O)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000079631490 135342547 /nfs/dbraw/zinc/34/25/47/135342547.db2.gz MYGKIWJDWNVYKH-UHFFFAOYSA-N 0 0 248.282 2.356 20 5 BEBDRN O=[N+]([O-])c1ccnn1Cc1cccc(Cl)c1 ZINC000334382638 135381283 /nfs/dbraw/zinc/38/12/83/135381283.db2.gz KMKYDRRDCRKDFF-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN C[C@@H](O)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000164916606 135452518 /nfs/dbraw/zinc/45/25/18/135452518.db2.gz LGWVDDKDKGNLSZ-RKDXNWHRSA-N 0 0 224.260 2.166 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1CC1 ZINC000194785615 135649573 /nfs/dbraw/zinc/64/95/73/135649573.db2.gz GPJSLZQBFYIMRU-UHFFFAOYSA-N 0 0 234.255 2.043 20 5 BEBDRN Cc1nc(N[C@H]2C[C@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000343820138 135700873 /nfs/dbraw/zinc/70/08/73/135700873.db2.gz WXKDWRULFDKCAH-RQJHMYQMSA-N 0 0 243.213 2.364 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC12CC2 ZINC000335057745 135875376 /nfs/dbraw/zinc/87/53/76/135875376.db2.gz PQWPUVMFMNQHMK-SNVBAGLBSA-N 0 0 247.254 2.269 20 5 BEBDRN Cc1ccccc1NCc1c([N+](=O)[O-])ncn1C ZINC000347756619 136011505 /nfs/dbraw/zinc/01/15/05/136011505.db2.gz SFUMEMPTSVIREB-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN O=[N+]([O-])c1ccnn1Cc1ccc(Cl)cc1 ZINC000335330773 136053610 /nfs/dbraw/zinc/05/36/10/136053610.db2.gz MUTGISKFXITEJX-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN Cc1ccc(C(=O)N[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000075530097 398101632 /nfs/dbraw/zinc/10/16/32/398101632.db2.gz ISPXVZQIKVTQEH-PSASIEDQSA-N 0 0 234.255 2.041 20 5 BEBDRN CCC1CN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000335076449 398097613 /nfs/dbraw/zinc/09/76/13/398097613.db2.gz MPIFGKFPCCWVGI-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN CC(C)CNc1nc2sccn2c1[N+](=O)[O-] ZINC000008308902 167019079 /nfs/dbraw/zinc/01/90/79/167019079.db2.gz JWZPRAADFRJEJK-UHFFFAOYSA-N 0 0 240.288 2.372 20 5 BEBDRN O=C1CC(Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000085505131 1172889539 /nfs/dbraw/zinc/88/95/39/1172889539.db2.gz UXOQCQQAWAASPR-UHFFFAOYSA-N 0 0 241.630 2.359 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC/C=C/Cl)n1 ZINC001651494807 1172956036 /nfs/dbraw/zinc/95/60/36/1172956036.db2.gz AYIBRQMSZCMHDB-GORDUTHDSA-N 0 0 227.651 2.463 20 5 BEBDRN CNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000167051904 410569126 /nfs/dbraw/zinc/56/91/26/410569126.db2.gz PLBXSHDJRIRRCN-UHFFFAOYSA-N 0 0 246.064 2.102 20 5 BEBDRN CC(C)(C)OC(=O)Oc1cccnc1[N+](=O)[O-] ZINC000108641369 166671242 /nfs/dbraw/zinc/67/12/42/166671242.db2.gz GINXTGGYOWWMIW-UHFFFAOYSA-N 0 0 240.215 2.304 20 5 BEBDRN CC(C)C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000058626514 411186084 /nfs/dbraw/zinc/18/60/84/411186084.db2.gz KRPUFTLORBLWBG-UHFFFAOYSA-N 0 0 244.197 2.468 20 5 BEBDRN CC/C=C/CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000295944251 167854847 /nfs/dbraw/zinc/85/48/47/167854847.db2.gz LCPAQGVUCOHBNG-ONEGZZNKSA-N 0 0 240.284 2.352 20 5 BEBDRN CCN(CC1CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000112181961 169810215 /nfs/dbraw/zinc/81/02/15/169810215.db2.gz BQBBMOTWTPVGAN-UHFFFAOYSA-N 0 0 248.282 2.467 20 5 BEBDRN CC1(C)C[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000119320213 167983225 /nfs/dbraw/zinc/98/32/25/167983225.db2.gz UIBXFERBZNBJDS-LLVKDONJSA-N 0 0 248.282 2.257 20 5 BEBDRN CC1(C)[C@H](Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000129276869 168002612 /nfs/dbraw/zinc/00/26/12/168002612.db2.gz FMMQVQPAFRPCTD-MNOVXSKESA-N 0 0 236.271 2.166 20 5 BEBDRN CC1(C)[C@@H]2CN(c3cc(N)ccc3[N+](=O)[O-])C[C@@H]21 ZINC000193456329 168013749 /nfs/dbraw/zinc/01/37/49/168013749.db2.gz PIFSYACXVORARQ-AOOOYVTPSA-N 0 0 247.298 2.269 20 5 BEBDRN CC1(CNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000357245420 168037701 /nfs/dbraw/zinc/03/77/01/168037701.db2.gz FDDDSICJRCTOFY-UHFFFAOYSA-N 0 0 234.255 2.125 20 5 BEBDRN CC1=C(C)CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000336484238 168082678 /nfs/dbraw/zinc/08/26/78/168082678.db2.gz KGZUKJZYBXJOEB-UHFFFAOYSA-N 0 0 249.270 2.105 20 5 BEBDRN CCC(=O)COc1c(F)cccc1[N+](=O)[O-] ZINC000163028442 168209450 /nfs/dbraw/zinc/20/94/50/168209450.db2.gz QCVFEDFFFAOZIU-UHFFFAOYSA-N 0 0 227.191 2.092 20 5 BEBDRN CCC(=O)COc1ccc([N+](=O)[O-])cc1C ZINC000131435084 168210181 /nfs/dbraw/zinc/21/01/81/168210181.db2.gz JLDGIGFJBOZSRC-UHFFFAOYSA-N 0 0 223.228 2.261 20 5 BEBDRN CCC(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288413739 168211001 /nfs/dbraw/zinc/21/10/01/168211001.db2.gz QVJHVIUERKEKJB-UHFFFAOYSA-N 0 0 236.271 2.006 20 5 BEBDRN CCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000192201900 168280278 /nfs/dbraw/zinc/28/02/78/168280278.db2.gz BVLHQUUACFXACD-UHFFFAOYSA-N 0 0 240.259 2.354 20 5 BEBDRN CCC(C)(C)CNc1c([N+](=O)[O-])ncn1C ZINC000233007308 168282367 /nfs/dbraw/zinc/28/23/67/168282367.db2.gz RTNCWJDVZSDLBR-UHFFFAOYSA-N 0 0 226.280 2.176 20 5 BEBDRN C[C@H](Nc1ncc([N+](=O)[O-])s1)C(F)F ZINC000306782191 411460454 /nfs/dbraw/zinc/46/04/54/411460454.db2.gz CCLRBDHNYVPSQB-VKHMYHEASA-N 0 0 223.204 2.117 20 5 BEBDRN CCN(c1ccc([N+](=O)[O-])c(C)c1)[C@H](C)CO ZINC000291650559 169943365 /nfs/dbraw/zinc/94/33/65/169943365.db2.gz BVQSLQDTVWOEFH-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN CN(CC1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000298663091 411535966 /nfs/dbraw/zinc/53/59/66/411535966.db2.gz CZMMXRXZSVUHCF-UHFFFAOYSA-N 0 0 248.282 2.006 20 5 BEBDRN CCNc1cc(C(=O)OC)cc([N+](=O)[O-])c1C ZINC000276931685 170171228 /nfs/dbraw/zinc/17/12/28/170171228.db2.gz MLQSUUFCJNYKNM-UHFFFAOYSA-N 0 0 238.243 2.122 20 5 BEBDRN CCOCCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193366683 170383375 /nfs/dbraw/zinc/38/33/75/170383375.db2.gz KAEVLOMURCBMIS-UHFFFAOYSA-N 0 0 239.275 2.016 20 5 BEBDRN CCOCCCNc1sccc1[N+](=O)[O-] ZINC000301999959 170384051 /nfs/dbraw/zinc/38/40/51/170384051.db2.gz RJMXAESWKSAZFK-UHFFFAOYSA-N 0 0 230.289 2.495 20 5 BEBDRN CCOc1ccc([N+](=O)[O-])c(-c2nc(C)no2)c1 ZINC000283001675 170566094 /nfs/dbraw/zinc/56/60/94/170566094.db2.gz NIWHQDDVNNQXMW-UHFFFAOYSA-N 0 0 249.226 2.352 20 5 BEBDRN CC[C@@H](C)CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330502478 170695932 /nfs/dbraw/zinc/69/59/32/170695932.db2.gz WZHQQLQILNUFAD-MRVPVSSYSA-N 0 0 239.275 2.041 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(NCCC2CC=CC2)n1 ZINC001652212508 1173043522 /nfs/dbraw/zinc/04/35/22/1173043522.db2.gz QWMXAAGWWXEZPM-UHFFFAOYSA-N 0 0 236.275 2.097 20 5 BEBDRN CC[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192483721 171015455 /nfs/dbraw/zinc/01/54/55/171015455.db2.gz BGTIUACTFUGQRO-SSDOTTSWSA-N 0 0 227.289 2.288 20 5 BEBDRN CC[C@@H]1CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000294161410 171017768 /nfs/dbraw/zinc/01/77/68/171017768.db2.gz VQKUXGIXOYWGML-LLVKDONJSA-N 0 0 248.282 2.148 20 5 BEBDRN CC[C@@H]1CCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000293889618 171023038 /nfs/dbraw/zinc/02/30/38/171023038.db2.gz DYTRMMIDGWHPCL-MRVPVSSYSA-N 0 0 240.284 2.281 20 5 BEBDRN CC[C@H](C)CSc1c([N+](=O)[O-])ncn1C ZINC000268158293 171293559 /nfs/dbraw/zinc/29/35/59/171293559.db2.gz XRYKAJXDDQHASW-ZETCQYMHSA-N 0 0 229.305 2.467 20 5 BEBDRN CC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000248264153 171305235 /nfs/dbraw/zinc/30/52/35/171305235.db2.gz XECHRJYYKHMEBU-ZETCQYMHSA-N 0 0 226.232 2.058 20 5 BEBDRN CC[C@H](C)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000301619945 171309515 /nfs/dbraw/zinc/30/95/15/171309515.db2.gz MDFURAURWCXCFS-QMMMGPOBSA-N 0 0 209.249 2.225 20 5 BEBDRN CC[C@H](C)Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000288495605 171349472 /nfs/dbraw/zinc/34/94/72/171349472.db2.gz FWGMWOZROLQEPL-ZETCQYMHSA-N 0 0 226.280 2.330 20 5 BEBDRN CC[C@H](C)[C@@H](C)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000042557139 171367923 /nfs/dbraw/zinc/36/79/23/171367923.db2.gz MRXFCQSQWAYTTM-JGVFFNPUSA-N 0 0 240.307 2.483 20 5 BEBDRN CC[C@H](O)CCNc1ccccc1[N+](=O)[O-] ZINC000122110964 171562255 /nfs/dbraw/zinc/56/22/55/171562255.db2.gz KHLJKVBODDVMQP-VIFPVBQESA-N 0 0 224.260 2.168 20 5 BEBDRN CC[C@H]1CCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000292213839 171639425 /nfs/dbraw/zinc/63/94/25/171639425.db2.gz HPTRNOQLMUDZEW-VIFPVBQESA-N 0 0 221.260 2.287 20 5 BEBDRN CCc1ccccc1Cn1cnc([N+](=O)[O-])c1 ZINC000188176386 171883417 /nfs/dbraw/zinc/88/34/17/171883417.db2.gz AZETXELRXBYYHS-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN CCc1ccccc1Cn1nccc1[N+](=O)[O-] ZINC000188191866 171883538 /nfs/dbraw/zinc/88/35/38/171883538.db2.gz SAULUAPHFMDZHM-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN CCc1nn(C)c(NC(CC)CC)c1[N+](=O)[O-] ZINC000091561040 172038790 /nfs/dbraw/zinc/03/87/90/172038790.db2.gz UWGOUTNHHJGCLG-UHFFFAOYSA-N 0 0 240.307 2.491 20 5 BEBDRN CCc1nn(C)c(NCCCCF)c1[N+](=O)[O-] ZINC000336709260 172039066 /nfs/dbraw/zinc/03/90/66/172039066.db2.gz MMLNWKYZZXRNJH-UHFFFAOYSA-N 0 0 244.270 2.052 20 5 BEBDRN CCc1nn(C)c(N[C@@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000091560861 172039728 /nfs/dbraw/zinc/03/97/28/172039728.db2.gz PATUCWMFCXHSRR-MRVPVSSYSA-N 0 0 238.291 2.101 20 5 BEBDRN CCc1nnc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000111861620 172055248 /nfs/dbraw/zinc/05/52/48/172055248.db2.gz JJBRBKPUMIBTEV-UHFFFAOYSA-N 0 0 249.226 2.119 20 5 BEBDRN CCn1ccnc1CNc1ccccc1[N+](=O)[O-] ZINC000051922472 172225423 /nfs/dbraw/zinc/22/54/23/172225423.db2.gz HCCJLJFMPHKVPW-UHFFFAOYSA-N 0 0 246.270 2.423 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NC1CCC1 ZINC000085022350 172248448 /nfs/dbraw/zinc/24/84/48/172248448.db2.gz RUJRWEHEIJHTBI-UHFFFAOYSA-N 0 0 224.264 2.084 20 5 BEBDRN CN(C(=O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000158327066 172299642 /nfs/dbraw/zinc/29/96/42/172299642.db2.gz KNFQZYXDEDNJEJ-UHFFFAOYSA-N 0 0 234.255 2.358 20 5 BEBDRN CN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCC1 ZINC000172698940 172341587 /nfs/dbraw/zinc/34/15/87/172341587.db2.gz ULXFZRHFQXJFLB-UHFFFAOYSA-N 0 0 240.284 2.281 20 5 BEBDRN CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000172703215 172342322 /nfs/dbraw/zinc/34/23/22/172342322.db2.gz KPCTUIQQUIUGOC-UHFFFAOYSA-N 0 0 234.255 2.219 20 5 BEBDRN CN(C(=O)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000172703213 172342975 /nfs/dbraw/zinc/34/29/75/172342975.db2.gz TWLIJNJAABQORQ-UHFFFAOYSA-N 0 0 234.255 2.219 20 5 BEBDRN CN(C(=O)c1csc([N+](=O)[O-])c1)C1CCC1 ZINC000172701064 172347996 /nfs/dbraw/zinc/34/79/96/172347996.db2.gz LOCGJYLIXBFLTO-UHFFFAOYSA-N 0 0 240.284 2.281 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CC1(C)C ZINC000302826784 172947469 /nfs/dbraw/zinc/94/74/69/172947469.db2.gz AVBROUPCDBDEFL-SECBINFHSA-N 0 0 221.260 2.225 20 5 BEBDRN COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000078739729 173695490 /nfs/dbraw/zinc/69/54/90/173695490.db2.gz INUPLTYGEFAIEL-LURJTMIESA-N 0 0 227.191 2.010 20 5 BEBDRN COC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000354897747 173842929 /nfs/dbraw/zinc/84/29/29/173842929.db2.gz MFHHBIIUMXQTCG-UHFFFAOYSA-N 0 0 229.619 2.343 20 5 BEBDRN COCCCCCOc1cccnc1[N+](=O)[O-] ZINC000116610507 174185908 /nfs/dbraw/zinc/18/59/08/174185908.db2.gz BSRCVKDSMPEPKE-UHFFFAOYSA-N 0 0 240.259 2.185 20 5 BEBDRN COCCOc1cc(C)c([N+](=O)[O-])cc1F ZINC000185660586 174367614 /nfs/dbraw/zinc/36/76/14/174367614.db2.gz KDMXGGCRUYDSFW-UHFFFAOYSA-N 0 0 229.207 2.068 20 5 BEBDRN COC[C@H](C)N(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000268146217 174538081 /nfs/dbraw/zinc/53/80/81/174538081.db2.gz QNHMEARXZQQPDW-JTQLQIEISA-N 0 0 238.287 2.374 20 5 BEBDRN COC[C@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000301558878 174603477 /nfs/dbraw/zinc/60/34/77/174603477.db2.gz TWLKSXSWXJUIGL-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN CO[C@@H](C)COc1ccccc1[N+](=O)[O-] ZINC000060023292 174708342 /nfs/dbraw/zinc/70/83/42/174708342.db2.gz WTAYGCUNMXMIEI-QMMMGPOBSA-N 0 0 211.217 2.009 20 5 BEBDRN CO[C@H](C)CNc1ccc([N+](=O)[O-])cc1 ZINC000224321942 174836924 /nfs/dbraw/zinc/83/69/24/174836924.db2.gz KDHVLGAFNDLSFC-MRVPVSSYSA-N 0 0 210.233 2.042 20 5 BEBDRN CO[C@H](C)[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000229376664 174845211 /nfs/dbraw/zinc/84/52/11/174845211.db2.gz CIWSEOFOWMESKK-RKDXNWHRSA-N 0 0 224.260 2.430 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1OC[C@H](C)OC ZINC000180979542 175019071 /nfs/dbraw/zinc/01/90/71/175019071.db2.gz MDEQGKCYJMDPBU-QMMMGPOBSA-N 0 0 241.243 2.017 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1OCSC ZINC000292670174 175201147 /nfs/dbraw/zinc/20/11/47/175201147.db2.gz LOEHGHPWZJVHEC-UHFFFAOYSA-N 0 0 229.257 2.303 20 5 BEBDRN COc1cccc(N(C)CC2CC2)c1[N+](=O)[O-] ZINC000185207212 175275193 /nfs/dbraw/zinc/27/51/93/175275193.db2.gz KHIPQKLOCZSHKM-UHFFFAOYSA-N 0 0 236.271 2.450 20 5 BEBDRN C[C@@H](CC(C)(C)O)Nc1ncc([N+](=O)[O-])s1 ZINC000294987640 175650125 /nfs/dbraw/zinc/65/01/25/175650125.db2.gz MSRZUDRBQCKTJP-LURJTMIESA-N 0 0 245.304 2.013 20 5 BEBDRN C[C@@H](CO)CSc1ccc([N+](=O)[O-])cc1 ZINC000080855791 175745446 /nfs/dbraw/zinc/74/54/46/175745446.db2.gz VVLMJSGQOSBOHN-QMMMGPOBSA-N 0 0 227.285 2.315 20 5 BEBDRN C[C@@H](Cn1cccn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000042253602 175781554 /nfs/dbraw/zinc/78/15/54/175781554.db2.gz IDEUMCXGADTRGS-JTQLQIEISA-N 0 0 246.270 2.292 20 5 BEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000035135040 175931130 /nfs/dbraw/zinc/93/11/30/175931130.db2.gz HGPAXEKMWCBICJ-SSDOTTSWSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@@H]1CCCC[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000035121776 176081549 /nfs/dbraw/zinc/08/15/49/176081549.db2.gz AZRICYPGGSGXOC-BDAKNGLRSA-N 0 0 238.291 2.319 20 5 BEBDRN C[C@@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278556446 176111081 /nfs/dbraw/zinc/11/10/81/176111081.db2.gz WESGEKPZCDFLOD-MRVPVSSYSA-N 0 0 246.270 2.460 20 5 BEBDRN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000299713697 176163475 /nfs/dbraw/zinc/16/34/75/176163475.db2.gz JLQXFNMQQGBGPV-SSDOTTSWSA-N 0 0 240.284 2.138 20 5 BEBDRN C[C@@H]1CCN(c2ccc(N)cc2[N+](=O)[O-])[C@@H]1C ZINC000288236395 176181319 /nfs/dbraw/zinc/18/13/19/176181319.db2.gz FMSUACPWTGVYNB-RKDXNWHRSA-N 0 0 235.287 2.412 20 5 BEBDRN C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000294091392 176253228 /nfs/dbraw/zinc/25/32/28/176253228.db2.gz BSURXTCATUTRQJ-RKDXNWHRSA-N 0 0 249.270 2.467 20 5 BEBDRN C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1C ZINC000288556785 176318733 /nfs/dbraw/zinc/31/87/33/176318733.db2.gz VYTIQAQAYODLAI-DTORHVGOSA-N 0 0 235.287 2.269 20 5 BEBDRN C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CCCO1 ZINC000171047832 176319714 /nfs/dbraw/zinc/31/97/14/176319714.db2.gz OAUXRBUDAWBPMR-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN C[C@@H]1COCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000277822175 176342304 /nfs/dbraw/zinc/34/23/04/176342304.db2.gz YVIHFFZMRJECRS-ZJUUUORDSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@@H]1C[C@@H](C)N1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000336453652 176364081 /nfs/dbraw/zinc/36/40/81/176364081.db2.gz RLFUGHUCQSTYKH-NXEZZACHSA-N 0 0 248.282 2.147 20 5 BEBDRN C[C@@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000277037742 176397584 /nfs/dbraw/zinc/39/75/84/176397584.db2.gz FPJLSBJLPVYZSO-RNFRBKRXSA-N 0 0 239.250 2.384 20 5 BEBDRN C[C@@H]1C[C@@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000226776091 176398763 /nfs/dbraw/zinc/39/87/63/176398763.db2.gz JYXADHGOPQYTKO-PHDIDXHHSA-N 0 0 213.262 2.119 20 5 BEBDRN C[C@@H]1OCC[C@@H]1Sc1ccc([N+](=O)[O-])cn1 ZINC000269978811 176475248 /nfs/dbraw/zinc/47/52/48/176475248.db2.gz ZSRGTRHATMTALG-CBAPKCEASA-N 0 0 240.284 2.259 20 5 BEBDRN C[C@H](CCO)CNc1ccc([N+](=O)[O-])cc1F ZINC000097443354 176633124 /nfs/dbraw/zinc/63/31/24/176633124.db2.gz HKCSRMFCYDYPSE-MRVPVSSYSA-N 0 0 242.250 2.164 20 5 BEBDRN C[C@H](CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000077987680 176637667 /nfs/dbraw/zinc/63/76/67/176637667.db2.gz QRTKDQKZMHGALL-SSDOTTSWSA-N 0 0 244.678 2.431 20 5 BEBDRN C[C@H](CO)[C@H](C)Nc1sccc1[N+](=O)[O-] ZINC000302045529 176714323 /nfs/dbraw/zinc/71/43/23/176714323.db2.gz XZAVIXDNOZDQNN-RQJHMYQMSA-N 0 0 230.289 2.085 20 5 BEBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000091484515 176933859 /nfs/dbraw/zinc/93/38/59/176933859.db2.gz AWORKJKYAIEWGZ-VHSXEESVSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@@H](O)[C@H](C)Sc1ccccc1[N+](=O)[O-] ZINC000085486035 177029007 /nfs/dbraw/zinc/02/90/07/177029007.db2.gz IPWXBOGBRAVPKK-SFYZADRCSA-N 0 0 227.285 2.456 20 5 BEBDRN C[C@H]1CCCC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000040454450 177089230 /nfs/dbraw/zinc/08/92/30/177089230.db2.gz FUTNEMMLECPIDJ-WCBMZHEXSA-N 0 0 236.275 2.375 20 5 BEBDRN C[C@H]1CC[C@H](C)N1c1ncccc1[N+](=O)[O-] ZINC000301609211 177199903 /nfs/dbraw/zinc/19/99/03/177199903.db2.gz AWAKBFUPQAVEHV-IUCAKERBSA-N 0 0 221.260 2.367 20 5 BEBDRN C[C@H]1CC[C@H](C)N1c1ccc([N+](=O)[O-])cn1 ZINC000301609417 177199976 /nfs/dbraw/zinc/19/99/76/177199976.db2.gz BDAGSAUBOJZKMG-IUCAKERBSA-N 0 0 221.260 2.367 20 5 BEBDRN C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000294408685 177218367 /nfs/dbraw/zinc/21/83/67/177218367.db2.gz YXDRIQVBUVFONR-UWVGGRQHSA-N 0 0 248.282 2.004 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000294091383 177221485 /nfs/dbraw/zinc/22/14/85/177221485.db2.gz BSURXTCATUTRQJ-DTWKUNHWSA-N 0 0 249.270 2.467 20 5 BEBDRN C[C@H]1C[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000277037735 177382220 /nfs/dbraw/zinc/38/22/20/177382220.db2.gz FPJLSBJLPVYZSO-BQBZGAKWSA-N 0 0 239.250 2.384 20 5 BEBDRN Cc1nn(CC[C@@H](C)F)c(C)c1[N+](=O)[O-] ZINC000505473596 226355594 /nfs/dbraw/zinc/35/55/94/226355594.db2.gz JGVMNXBDWBNOGZ-ZCFIWIBFSA-N 0 0 215.228 2.156 20 5 BEBDRN Cc1ccccc1Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000174098787 229375858 /nfs/dbraw/zinc/37/58/58/229375858.db2.gz VFLGOCBSEYPKKN-UHFFFAOYSA-N 0 0 244.250 2.113 20 5 BEBDRN CCC[C@@H](C(=O)OC[C@H](C)[N+](=O)[O-])C(C)C ZINC000813106596 586592877 /nfs/dbraw/zinc/59/28/77/586592877.db2.gz FQRVGLBAXGUNGE-VHSXEESVSA-N 0 0 231.292 2.267 20 5 BEBDRN CCC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cn1 ZINC000160350313 323065000 /nfs/dbraw/zinc/06/50/00/323065000.db2.gz LYCKQLIQHOMEOV-SSDOTTSWSA-N 0 0 240.284 2.450 20 5 BEBDRN Cc1c(C[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000047914423 323072037 /nfs/dbraw/zinc/07/20/37/323072037.db2.gz UFIYCEWMRRRAIZ-UHFFFAOYSA-N 0 0 220.272 2.497 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(OCCCF)c1 ZINC000570841744 323072383 /nfs/dbraw/zinc/07/23/83/323072383.db2.gz JTOBAABCXZZAKS-UHFFFAOYSA-N 0 0 229.207 2.342 20 5 BEBDRN CN(C(=O)c1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000158491396 323073242 /nfs/dbraw/zinc/07/32/42/323073242.db2.gz DVXUQSBHTNPCIR-UHFFFAOYSA-N 0 0 246.222 2.464 20 5 BEBDRN Cc1nn(Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000181813300 323082205 /nfs/dbraw/zinc/08/22/05/323082205.db2.gz XLQVEEWVRSZIJO-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN CC[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531628330 323110619 /nfs/dbraw/zinc/11/06/19/323110619.db2.gz ZWHIVWYLQNJULV-SECBINFHSA-N 0 0 249.270 2.004 20 5 BEBDRN C[C@@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531633175 323110658 /nfs/dbraw/zinc/11/06/58/323110658.db2.gz FIWZCRUHRFODDR-DTORHVGOSA-N 0 0 249.270 2.003 20 5 BEBDRN CC1(C)CCCN1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531634525 323110820 /nfs/dbraw/zinc/11/08/20/323110820.db2.gz HWZWDTFNQMOBBL-UHFFFAOYSA-N 0 0 249.270 2.004 20 5 BEBDRN O=[N+]([O-])c1ccccc1OC[C@@H]1CCCOC1 ZINC000531876353 323118663 /nfs/dbraw/zinc/11/86/63/323118663.db2.gz IPUXXURREIPZJE-SNVBAGLBSA-N 0 0 237.255 2.400 20 5 BEBDRN Cc1nc(N2[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000530379581 323383706 /nfs/dbraw/zinc/38/37/06/323383706.db2.gz JGZJHBHVGRHXHK-YUMQZZPRSA-N 0 0 221.260 2.285 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1CNc1cnn(C)c1 ZINC000544612395 325152623 /nfs/dbraw/zinc/15/26/23/325152623.db2.gz ZFQQIUGQIHYCAQ-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)C ZINC000131533434 325161717 /nfs/dbraw/zinc/16/17/17/325161717.db2.gz MEOWYJJXNPVORW-UHFFFAOYSA-N 0 0 237.259 2.433 20 5 BEBDRN C[C@H]1C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])n2C)n1 ZINC000545065525 325175248 /nfs/dbraw/zinc/17/52/48/325175248.db2.gz PBLNMKLFQANYFE-BQBZGAKWSA-N 0 0 248.242 2.107 20 5 BEBDRN CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000136064864 325439272 /nfs/dbraw/zinc/43/92/72/325439272.db2.gz ADMIYZJNIUZEDB-UHFFFAOYSA-N 0 0 223.232 2.045 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1Oc1cccnn1 ZINC000553046845 325675244 /nfs/dbraw/zinc/67/52/44/325675244.db2.gz CTPUQGAFYNTQPL-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN O=[N+]([O-])c1cc2c(nc1N1CCCO1)CCCC2 ZINC000565418426 325908298 /nfs/dbraw/zinc/90/82/98/325908298.db2.gz MJQQINOBVLJFSY-UHFFFAOYSA-N 0 0 249.270 2.010 20 5 BEBDRN C[C@@]1(F)CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000568592411 326366676 /nfs/dbraw/zinc/36/66/76/326366676.db2.gz JJKTXKMMODNNQE-LLVKDONJSA-N 0 0 239.250 2.318 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@@H](F)C2)nc1 ZINC000568861063 326379648 /nfs/dbraw/zinc/37/96/48/326379648.db2.gz VUOZSRGOIMVAFB-HTQZYQBOSA-N 0 0 240.238 2.077 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N1CCCOCC1 ZINC000547957496 487537110 /nfs/dbraw/zinc/53/71/10/487537110.db2.gz VVFBSBMTOOFBCB-UHFFFAOYSA-N 0 0 236.271 2.130 20 5 BEBDRN CC[C@@H](C)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000301619943 488025831 /nfs/dbraw/zinc/02/58/31/488025831.db2.gz MDFURAURWCXCFS-MRVPVSSYSA-N 0 0 209.249 2.225 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2cscn2)cn1 ZINC000082626422 488183922 /nfs/dbraw/zinc/18/39/22/488183922.db2.gz IMGKAQYESBRLIV-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN C[C@@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1F ZINC000335493406 490304778 /nfs/dbraw/zinc/30/47/78/490304778.db2.gz CGJCSZLWICKIEE-MWLCHTKSSA-N 0 0 238.218 2.281 20 5 BEBDRN CC(C)(C)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812814553 582567695 /nfs/dbraw/zinc/56/76/95/582567695.db2.gz JXIDDZHPLKZCKA-UHFFFAOYSA-N 0 0 241.291 2.355 20 5 BEBDRN CCCCS[C@H](C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813106237 582581423 /nfs/dbraw/zinc/58/14/23/582581423.db2.gz BEYPOTIPZOGRID-DTWKUNHWSA-N 0 0 249.332 2.117 20 5 BEBDRN C[C@@H](COC(=O)/C=C/C1CCCCC1)[N+](=O)[O-] ZINC000813107912 582584989 /nfs/dbraw/zinc/58/49/89/582584989.db2.gz YVBFYXMJMHSOCH-JARNTUPDSA-N 0 0 241.287 2.331 20 5 BEBDRN Cc1ccn(CCC(C)(F)F)c(=O)c1[N+](=O)[O-] ZINC000450870963 534341899 /nfs/dbraw/zinc/34/18/99/534341899.db2.gz MSFNPDLHQPTACU-UHFFFAOYSA-N 0 0 246.213 2.110 20 5 BEBDRN Cc1cnc(OCC[C@@H](C)F)c([N+](=O)[O-])c1 ZINC000505576664 534598990 /nfs/dbraw/zinc/59/89/90/534598990.db2.gz KOCQFCFQTRKGST-MRVPVSSYSA-N 0 0 228.223 2.425 20 5 BEBDRN CC[C@@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000054473937 535526721 /nfs/dbraw/zinc/52/67/21/535526721.db2.gz RKPWPFLDGZCZSH-MRVPVSSYSA-N 0 0 209.249 2.448 20 5 BEBDRN CC[C@H](CCO)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218858860 536099278 /nfs/dbraw/zinc/09/92/78/536099278.db2.gz CUJLQEBIXXUIFC-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN O=[N+]([O-])c1cccc(OCCOC(F)F)c1 ZINC000853012946 588715400 /nfs/dbraw/zinc/71/54/00/588715400.db2.gz OJUGDPHFZUJCCT-UHFFFAOYSA-N 0 0 233.170 2.213 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1ccsc1Cl ZINC000853126824 588722117 /nfs/dbraw/zinc/72/21/17/588722117.db2.gz NFYHZSLHUKJTHE-RXMQYKEDSA-N 0 0 249.675 2.224 20 5 BEBDRN CC1=NO[C@@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000853660331 588753454 /nfs/dbraw/zinc/75/34/54/588753454.db2.gz BOWDNBZUUBBDOA-SNVBAGLBSA-N 0 0 249.270 2.480 20 5 BEBDRN CC1=NO[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000853660997 588753690 /nfs/dbraw/zinc/75/36/90/588753690.db2.gz NDWJLWXUZNEVPF-SSDOTTSWSA-N 0 0 241.272 2.233 20 5 BEBDRN C[C@]12COC[C@@H]1CN(c1ccc([N+](=O)[O-])cc1)C2 ZINC000853857223 588766217 /nfs/dbraw/zinc/76/62/17/588766217.db2.gz XBVSDVNGQUXCBJ-GWCFXTLKSA-N 0 0 248.282 2.068 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2CC[C@H]3C[C@H]3C2)c1 ZINC000853902585 588768071 /nfs/dbraw/zinc/76/80/71/588768071.db2.gz SYKJSJAPSVWOFX-IUCAKERBSA-N 0 0 233.271 2.023 20 5 BEBDRN CCC/C=C\C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854497033 588789655 /nfs/dbraw/zinc/78/96/55/588789655.db2.gz XGYXZCZZMGHXNV-PLNGDYQASA-N 0 0 249.270 2.472 20 5 BEBDRN Cc1cc(C(=O)OC(C)C)c(N)c([N+](=O)[O-])c1 ZINC000112467081 588799090 /nfs/dbraw/zinc/79/90/90/588799090.db2.gz KEQMEGAOENRIKP-UHFFFAOYSA-N 0 0 238.243 2.051 20 5 BEBDRN Cc1cc(C(=O)N[C@H]2C=CCC2)ccc1[N+](=O)[O-] ZINC000855418607 588832185 /nfs/dbraw/zinc/83/21/85/588832185.db2.gz AQQAUXWXPDULDQ-NSHDSACASA-N 0 0 246.266 2.352 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@@H]2C[C@@H]21 ZINC000804687536 582525803 /nfs/dbraw/zinc/52/58/03/582525803.db2.gz BKBPJCJCMXNVAW-KCJUWKMLSA-N 0 0 204.229 2.193 20 5 BEBDRN Cc1cccc(C(=O)N[C@H]2C=CCC2)c1[N+](=O)[O-] ZINC000855422429 588832955 /nfs/dbraw/zinc/83/29/55/588832955.db2.gz XGIZTMRDQVWJKE-JTQLQIEISA-N 0 0 246.266 2.352 20 5 BEBDRN Cc1cc(C(=O)N[C@H]2C=CCC2)cc([N+](=O)[O-])c1 ZINC000855425927 588833606 /nfs/dbraw/zinc/83/36/06/588833606.db2.gz PIXSSHQMRROVHD-NSHDSACASA-N 0 0 246.266 2.352 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C=CCC1 ZINC000855431548 588835418 /nfs/dbraw/zinc/83/54/18/588835418.db2.gz CGABKVBEMSCRNX-SNVBAGLBSA-N 0 0 246.266 2.352 20 5 BEBDRN C[C@@H](COC(=O)C[C@@H]1CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813106243 582581770 /nfs/dbraw/zinc/58/17/70/582581770.db2.gz BFJDZXRXUGUSMG-KXUCPTDWSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](COC(=O)CCC1CCCC1)[N+](=O)[O-] ZINC000813112500 582589416 /nfs/dbraw/zinc/58/94/16/582589416.db2.gz QTCXJOXJGFUHIK-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN CCCCNc1ncc([N+](=O)[O-])cc1OC ZINC000891407297 582678976 /nfs/dbraw/zinc/67/89/76/582678976.db2.gz PGTINAROHFPRAF-UHFFFAOYSA-N 0 0 225.248 2.210 20 5 BEBDRN C[C@H]1CCC[C@@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000891761487 582717213 /nfs/dbraw/zinc/71/72/13/582717213.db2.gz CRGVZUGKSIGZKU-DTWKUNHWSA-N 0 0 238.291 2.319 20 5 BEBDRN CC(C)(CCC(=O)NCC1=CCCC1)[N+](=O)[O-] ZINC000856096778 588860329 /nfs/dbraw/zinc/86/03/29/588860329.db2.gz OFUJUBXPRGHLFJ-UHFFFAOYSA-N 0 0 240.303 2.048 20 5 BEBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)OCCC1CC1 ZINC000744287270 582894026 /nfs/dbraw/zinc/89/40/26/582894026.db2.gz VKHHXPJCOQIQDH-UHFFFAOYSA-N 0 0 249.266 2.481 20 5 BEBDRN CC(C)(CCC(=O)N[C@]1(C)CC1(C)C)[N+](=O)[O-] ZINC000856138458 588862473 /nfs/dbraw/zinc/86/24/73/588862473.db2.gz YUVBFRMVODKLMF-GFCCVEGCSA-N 0 0 242.319 2.127 20 5 BEBDRN Cc1ccc(OC(=O)CCF)cc1[N+](=O)[O-] ZINC000892878668 583001271 /nfs/dbraw/zinc/00/12/71/583001271.db2.gz BIHOIOVHMMRBEH-UHFFFAOYSA-N 0 0 227.191 2.168 20 5 BEBDRN O=C(NC[C@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000416065879 583062272 /nfs/dbraw/zinc/06/22/72/583062272.db2.gz SOUIENCXZBVTRF-SNVBAGLBSA-N 0 0 246.266 2.125 20 5 BEBDRN C[C@H]1CCC[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000893674505 583195339 /nfs/dbraw/zinc/19/53/39/583195339.db2.gz BBPKMCYOLJVNQY-IUCAKERBSA-N 0 0 238.291 2.176 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NCCC1(F)CCC1 ZINC000893858710 583233857 /nfs/dbraw/zinc/23/38/57/583233857.db2.gz JXIOYUIGTUZCNL-UHFFFAOYSA-N 0 0 242.254 2.023 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000814037422 583335336 /nfs/dbraw/zinc/33/53/36/583335336.db2.gz ACLBINOKEGSBMZ-OUAUKWLOSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC(C)(C)C1 ZINC000814038003 583335338 /nfs/dbraw/zinc/33/53/38/583335338.db2.gz KMFIFAQQTJFIDN-IUCAKERBSA-N 0 0 229.276 2.021 20 5 BEBDRN O=[N+]([O-])CCN1CCC[C@H]1c1cccc(F)c1 ZINC000791051383 583383744 /nfs/dbraw/zinc/38/37/44/583383744.db2.gz CGCCPGJWCKCFSU-LBPRGKRZSA-N 0 0 238.262 2.239 20 5 BEBDRN Cc1ccc(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1C ZINC000840673039 583420846 /nfs/dbraw/zinc/42/08/46/583420846.db2.gz HKKINCZWMYYCLD-VXGBXAGGSA-N 0 0 249.266 2.012 20 5 BEBDRN CC1CCC(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000840673705 583425914 /nfs/dbraw/zinc/42/59/14/583425914.db2.gz ZDUDWZDYFQNDLH-JPPWEJMLSA-N 0 0 241.287 2.021 20 5 BEBDRN Cc1c(CNCC(F)F)cccc1[N+](=O)[O-] ZINC000147618426 583663183 /nfs/dbraw/zinc/66/31/83/583663183.db2.gz VVUQTVHWWDFXFU-UHFFFAOYSA-N 0 0 230.214 2.258 20 5 BEBDRN O=[N+]([O-])c1cc(CN2CC[C@@H]2C(F)F)cs1 ZINC000895435007 583672733 /nfs/dbraw/zinc/67/27/33/583672733.db2.gz FPJHRRFRHZMDLC-SSDOTTSWSA-N 0 0 248.254 2.496 20 5 BEBDRN CCSCCOC(=O)c1ccc([N+](=O)[O-])o1 ZINC000727629378 583708901 /nfs/dbraw/zinc/70/89/01/583708901.db2.gz CAWYEYNAYKFNLP-UHFFFAOYSA-N 0 0 245.256 2.098 20 5 BEBDRN CCC[C@H](O)CCNc1ncc([N+](=O)[O-])s1 ZINC000896185982 583780753 /nfs/dbraw/zinc/78/07/53/583780753.db2.gz KGVJYYHNHZCOCJ-ZETCQYMHSA-N 0 0 245.304 2.014 20 5 BEBDRN Cc1ccc(SC2COC2)c([N+](=O)[O-])c1 ZINC000896959573 583863390 /nfs/dbraw/zinc/86/33/90/583863390.db2.gz CACQWWODFXKMAA-UHFFFAOYSA-N 0 0 225.269 2.394 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(SC2COC2)c(F)c1 ZINC000896958018 583864604 /nfs/dbraw/zinc/86/46/04/583864604.db2.gz FXBHWISEZKWUGJ-UHFFFAOYSA-N 0 0 247.222 2.364 20 5 BEBDRN O=[N+]([O-])c1ccc(SC2COC2)c(F)c1 ZINC000896958168 583864691 /nfs/dbraw/zinc/86/46/91/583864691.db2.gz HHHOSYKSMQCLPE-UHFFFAOYSA-N 0 0 229.232 2.225 20 5 BEBDRN CO[C@@H]1CC[C@H]1N(C)c1sccc1[N+](=O)[O-] ZINC000897147749 583886056 /nfs/dbraw/zinc/88/60/56/583886056.db2.gz QJGURFURFYUYSO-VXNVDRBHSA-N 0 0 242.300 2.270 20 5 BEBDRN Nc1ccc(N[C@@H]2C[C@@H]3CCC[C@H]23)nc1[N+](=O)[O-] ZINC000897177072 583889948 /nfs/dbraw/zinc/88/99/48/583889948.db2.gz JFHBMTPHQQVLCC-OYNCUSHFSA-N 0 0 248.286 2.173 20 5 BEBDRN C[C@H]1C[C@@H]1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000729093926 583956805 /nfs/dbraw/zinc/95/68/05/583956805.db2.gz XYIXSKZQJSDGJJ-NKWVEPMBSA-N 0 0 241.268 2.469 20 5 BEBDRN Cn1cc([N+](=O)[O-])cc1C(=O)OCC(C)(C)C ZINC000729097005 583956875 /nfs/dbraw/zinc/95/68/75/583956875.db2.gz FCWAZBYIDGZTPB-UHFFFAOYSA-N 0 0 240.259 2.136 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2COC[C@H]2C2CC2)cc1 ZINC000897442124 583984976 /nfs/dbraw/zinc/98/49/76/583984976.db2.gz RHGYGOVOIUEHCN-QWHCGFSZSA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])CCOc1c(F)cccc1Cl ZINC000899227431 584182554 /nfs/dbraw/zinc/18/25/54/584182554.db2.gz LIJUTIGUABYFAN-UHFFFAOYSA-N 0 0 219.599 2.135 20 5 BEBDRN Cc1cc(Cl)ccc1OCC[N+](=O)[O-] ZINC000899231217 584183089 /nfs/dbraw/zinc/18/30/89/584183089.db2.gz OHGCPNKGYRABLZ-UHFFFAOYSA-N 0 0 215.636 2.304 20 5 BEBDRN O=[N+]([O-])c1ccccc1-c1cc(CCCO)on1 ZINC000901394528 584438099 /nfs/dbraw/zinc/43/80/99/584438099.db2.gz IVMGGHRFPWSUPU-UHFFFAOYSA-N 0 0 248.238 2.175 20 5 BEBDRN CCOc1ccc(SCC[N+](=O)[O-])cc1 ZINC000901438715 584445684 /nfs/dbraw/zinc/44/56/84/584445684.db2.gz DXFZSPZNIVKOHM-UHFFFAOYSA-N 0 0 227.285 2.454 20 5 BEBDRN COCc1ccc(SCC[N+](=O)[O-])cc1 ZINC000901504717 584455507 /nfs/dbraw/zinc/45/55/07/584455507.db2.gz HXAQWLUAOKMXNE-UHFFFAOYSA-N 0 0 227.285 2.202 20 5 BEBDRN CO[C@@H](C)Sc1ccc([N+](=O)[O-])cn1 ZINC000901520453 584457941 /nfs/dbraw/zinc/45/79/41/584457941.db2.gz RJMOPPUFOSCFDF-ZCFIWIBFSA-N 0 0 214.246 2.074 20 5 BEBDRN CCCCSCc1cn(C)nc1[N+](=O)[O-] ZINC000902299051 584553101 /nfs/dbraw/zinc/55/31/01/584553101.db2.gz VPXZMHXCGMTAGI-UHFFFAOYSA-N 0 0 229.305 2.362 20 5 BEBDRN Cc1cn(C[C@H]2C[C@H]3C=C[C@@H]2C3)nc1[N+](=O)[O-] ZINC000902374145 584567082 /nfs/dbraw/zinc/56/70/82/584567082.db2.gz XYZIHYBFYXYORF-HBNTYKKESA-N 0 0 233.271 2.312 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]2C[C@@H]21 ZINC000761091900 584909617 /nfs/dbraw/zinc/90/96/17/584909617.db2.gz MGPATNVZNNFVJV-PELKAZGASA-N 0 0 236.246 2.328 20 5 BEBDRN Cc1cccc(C(=O)OCCCF)c1[N+](=O)[O-] ZINC000741448953 584925194 /nfs/dbraw/zinc/92/51/94/584925194.db2.gz QVNVMGNTGZEODM-UHFFFAOYSA-N 0 0 241.218 2.420 20 5 BEBDRN C/C=C/COC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000731519374 584926768 /nfs/dbraw/zinc/92/67/68/584926768.db2.gz PBOCNGWBORGXJO-NSCUHMNNSA-N 0 0 239.202 2.467 20 5 BEBDRN CCN(c1nc2ccccn2c1[N+](=O)[O-])C(C)C ZINC000733188176 584945173 /nfs/dbraw/zinc/94/51/73/584945173.db2.gz KDRFATRCKKTQMQ-UHFFFAOYSA-N 0 0 248.286 2.477 20 5 BEBDRN O=C(OCC(F)F)c1ccc([N+](=O)[O-])c(F)c1 ZINC000733484400 584949680 /nfs/dbraw/zinc/94/96/80/584949680.db2.gz LGMLJRPOKDVWOS-UHFFFAOYSA-N 0 0 249.144 2.156 20 5 BEBDRN O=c1ccnc(C=Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000742220216 585030089 /nfs/dbraw/zinc/03/00/89/585030089.db2.gz LODRNNWJSLKPPT-SNAWJCMRSA-N 0 0 243.222 2.261 20 5 BEBDRN O=c1ccnc(C=Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000742220215 585030112 /nfs/dbraw/zinc/03/01/12/585030112.db2.gz LODRNNWJSLKPPT-PLNGDYQASA-N 0 0 243.222 2.261 20 5 BEBDRN C[C@@H]1CCCCCN1Cn1nccc1[N+](=O)[O-] ZINC000738227131 585041855 /nfs/dbraw/zinc/04/18/55/585041855.db2.gz RVRAXOIGDHLEGV-SNVBAGLBSA-N 0 0 238.291 2.013 20 5 BEBDRN CN(c1nc2ccccn2c1[N+](=O)[O-])C1CCC1 ZINC000742254767 585124364 /nfs/dbraw/zinc/12/43/64/585124364.db2.gz WKPWBHDEFKXHPQ-UHFFFAOYSA-N 0 0 246.270 2.231 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1CN1C[C@@H]2C[C@@H]2C1 ZINC000886348523 585133812 /nfs/dbraw/zinc/13/38/12/585133812.db2.gz NXUHTMWFVANHCT-AOOOYVTPSA-N 0 0 236.246 2.186 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2cccc(F)n2)cn1 ZINC000747845242 585185005 /nfs/dbraw/zinc/18/50/05/585185005.db2.gz FJSOAQWNHMOAGM-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN COC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756991018 585326209 /nfs/dbraw/zinc/32/62/09/585326209.db2.gz ZZDILCTWCCECNO-UHFFFAOYSA-N 0 0 244.634 2.104 20 5 BEBDRN Cn1cc([N+](=O)[O-])cc1C(=O)OC1(C)CCC1 ZINC000757922524 585347065 /nfs/dbraw/zinc/34/70/65/585347065.db2.gz QXECBRAKGMCQHK-UHFFFAOYSA-N 0 0 238.243 2.033 20 5 BEBDRN CCOCOc1ccc(C)c([N+](=O)[O-])c1 ZINC000758411343 585355766 /nfs/dbraw/zinc/35/57/66/585355766.db2.gz TZJRVXZXZCDUHA-UHFFFAOYSA-N 0 0 211.217 2.276 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)C1CC1 ZINC000760020614 585384533 /nfs/dbraw/zinc/38/45/33/585384533.db2.gz NPZYZOYRNDHKLY-UHFFFAOYSA-N 0 0 221.212 2.219 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2C[C@@H]21 ZINC000761090289 585407885 /nfs/dbraw/zinc/40/78/85/585407885.db2.gz HWSVWTKNNWZFNW-SKDRFNHKSA-N 0 0 248.282 2.198 20 5 BEBDRN O=C(O[C@@H]1C=CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000761983965 585423652 /nfs/dbraw/zinc/42/36/52/585423652.db2.gz TWXXPYCMUFYCGM-SNVBAGLBSA-N 0 0 248.238 2.255 20 5 BEBDRN CCCCCC[C@H](O)Cn1cnc([N+](=O)[O-])c1 ZINC000762423549 585432059 /nfs/dbraw/zinc/43/20/59/585432059.db2.gz INGSOWSQLZPQNV-JTQLQIEISA-N 0 0 241.291 2.123 20 5 BEBDRN Cc1nonc1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000771223038 585591523 /nfs/dbraw/zinc/59/15/23/585591523.db2.gz BQNNEBWITGKDEG-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])CCSCc1ccc([N+](=O)[O-])cc1 ZINC000775189463 585673325 /nfs/dbraw/zinc/67/33/25/585673325.db2.gz AZGCEEFJGGXFAC-UHFFFAOYSA-N 0 0 242.256 2.105 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCc1cccs1 ZINC000776840415 585706008 /nfs/dbraw/zinc/70/60/08/585706008.db2.gz DOKLBGFWVWTNTE-UHFFFAOYSA-N 0 0 237.284 2.404 20 5 BEBDRN O=[N+]([O-])c1ccnn1Cc1ccc(CF)cc1 ZINC000777534409 585714235 /nfs/dbraw/zinc/71/42/35/585714235.db2.gz FIUQMEANDVLAHF-UHFFFAOYSA-N 0 0 235.218 2.309 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]2CCO)s1 ZINC000777823030 585720624 /nfs/dbraw/zinc/72/06/24/585720624.db2.gz UCGXVYLSXWSVPJ-MRVPVSSYSA-N 0 0 242.300 2.008 20 5 BEBDRN CC[C@@H](C)OC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000778144370 585726075 /nfs/dbraw/zinc/72/60/75/585726075.db2.gz ZSSNWFPXIOORGT-SSDOTTSWSA-N 0 0 238.243 2.132 20 5 BEBDRN O=C(Oc1cccc([N+](=O)[O-])c1)C1=CCC1 ZINC000779712427 585759429 /nfs/dbraw/zinc/75/94/29/585759429.db2.gz GAAHVPVZSNWMEI-UHFFFAOYSA-N 0 0 219.196 2.220 20 5 BEBDRN CC[C@@H](C)OC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000780071450 585772174 /nfs/dbraw/zinc/77/21/74/585772174.db2.gz HRIFGWIPLKGIAI-SSDOTTSWSA-N 0 0 239.227 2.256 20 5 BEBDRN O=C(O[C@@H]1C=CCC1)c1ccccc1[N+](=O)[O-] ZINC000780552399 585780540 /nfs/dbraw/zinc/78/05/40/585780540.db2.gz VXRWLAGNFCJYGD-SECBINFHSA-N 0 0 233.223 2.470 20 5 BEBDRN CCON(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000780699598 585783289 /nfs/dbraw/zinc/78/32/89/585783289.db2.gz IHJFHQYAQIIFCO-UHFFFAOYSA-N 0 0 239.231 2.010 20 5 BEBDRN CCON(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000780701596 585783528 /nfs/dbraw/zinc/78/35/28/585783528.db2.gz WCWMZPPLDYMOFM-UHFFFAOYSA-N 0 0 239.231 2.010 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)OC1CC1 ZINC000783195108 585830007 /nfs/dbraw/zinc/83/00/07/585830007.db2.gz QXPPSAWQMSBPKH-UHFFFAOYSA-N 0 0 221.212 2.222 20 5 BEBDRN C/C(=C/C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785138978 585871242 /nfs/dbraw/zinc/87/12/42/585871242.db2.gz NGFIOGSGAGFNNE-HJWRWDBZSA-N 0 0 234.255 2.086 20 5 BEBDRN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000786516216 585893741 /nfs/dbraw/zinc/89/37/41/585893741.db2.gz VIPAURBSYVYWEL-LURJTMIESA-N 0 0 245.181 2.405 20 5 BEBDRN CN(Cc1ccco1)c1ccc(N)cc1[N+](=O)[O-] ZINC000786575265 585895076 /nfs/dbraw/zinc/89/50/76/585895076.db2.gz SWVYWIMNGDZSGI-UHFFFAOYSA-N 0 0 247.254 2.406 20 5 BEBDRN COCSc1ccc([N+](=O)[O-])cc1F ZINC000788504629 585925778 /nfs/dbraw/zinc/92/57/78/585925778.db2.gz RATDFYACBFJMFF-UHFFFAOYSA-N 0 0 217.221 2.430 20 5 BEBDRN CC(=O)CS/C=C\c1ccc([N+](=O)[O-])o1 ZINC000789922169 585953188 /nfs/dbraw/zinc/95/31/88/585953188.db2.gz PBFBARUCNCAPCK-PLNGDYQASA-N 0 0 227.241 2.481 20 5 BEBDRN C/C=C(/C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000791019450 585972149 /nfs/dbraw/zinc/97/21/49/585972149.db2.gz YZTAIAWNXVUEEM-WTKPLQERSA-N 0 0 248.282 2.486 20 5 BEBDRN CC[C@@H](NCC[N+](=O)[O-])c1cc(F)ccc1F ZINC000791053862 585973005 /nfs/dbraw/zinc/97/30/05/585973005.db2.gz IKOIUCNMDNYAHH-LLVKDONJSA-N 0 0 244.241 2.282 20 5 BEBDRN CCC(=O)Oc1cccc(C)c1[N+](=O)[O-] ZINC000796649460 586109351 /nfs/dbraw/zinc/10/93/51/586109351.db2.gz HWWKDELYXQWYAK-UHFFFAOYSA-N 0 0 209.201 2.219 20 5 BEBDRN C[C@H](COC(=O)CC1CC(C)(C)C1)[N+](=O)[O-] ZINC000797281113 586124878 /nfs/dbraw/zinc/12/48/78/586124878.db2.gz QJIHSUAYZSZJPG-MRVPVSSYSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1C ZINC000800855936 586233297 /nfs/dbraw/zinc/23/32/97/586233297.db2.gz JTSFQZJWVZVRQU-RKDXNWHRSA-N 0 0 235.287 2.269 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC=CO2)c1 ZINC000800868950 586235468 /nfs/dbraw/zinc/23/54/68/586235468.db2.gz RXJZLHWZOMKZIX-JTQLQIEISA-N 0 0 249.270 2.282 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC=CCC2)cc1F ZINC000801537660 586261232 /nfs/dbraw/zinc/26/12/32/586261232.db2.gz WUTZCSGGQIOPLA-UHFFFAOYSA-N 0 0 236.246 2.496 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)OCC(F)F ZINC000103652984 586269249 /nfs/dbraw/zinc/26/92/49/586269249.db2.gz GSTNZSPJTCWFEV-UHFFFAOYSA-N 0 0 245.181 2.325 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H](F)C2)c1 ZINC000811841675 586567711 /nfs/dbraw/zinc/56/77/11/586567711.db2.gz PBDDQHVXIRUTOV-MRVPVSSYSA-N 0 0 239.250 2.115 20 5 BEBDRN CCN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000812484756 586578053 /nfs/dbraw/zinc/57/80/53/586578053.db2.gz NXNUEOFRRDBNIJ-GFCCVEGCSA-N 0 0 236.271 2.210 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC(C3CC3)C2)cc1 ZINC000812481145 586578239 /nfs/dbraw/zinc/57/82/39/586578239.db2.gz KLZLPIRFQRAOKG-UHFFFAOYSA-N 0 0 218.256 2.441 20 5 BEBDRN CCC(CC)[C@@H](C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813102619 586591854 /nfs/dbraw/zinc/59/18/54/586591854.db2.gz TVWBEMGCTRMGRD-RKDXNWHRSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@H](COC(=O)c1coc2ccccc12)[N+](=O)[O-] ZINC000813106996 586592734 /nfs/dbraw/zinc/59/27/34/586592734.db2.gz JUVSWCMJAFGMKV-MRVPVSSYSA-N 0 0 249.222 2.255 20 5 BEBDRN CCCC1(C(=O)OC[C@H](C)[N+](=O)[O-])CCC1 ZINC000813107100 586592899 /nfs/dbraw/zinc/59/28/99/586592899.db2.gz JRNARXPZDQYWKI-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN CCC[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])C(C)C ZINC000813106595 586592938 /nfs/dbraw/zinc/59/29/38/586592938.db2.gz FQRVGLBAXGUNGE-UWVGGRQHSA-N 0 0 231.292 2.267 20 5 BEBDRN Cc1oc(C)c(C(=O)OC[C@H](C)[N+](=O)[O-])c1C ZINC000813107182 586592978 /nfs/dbraw/zinc/59/29/78/586592978.db2.gz LOLFCUFCMSYACK-LURJTMIESA-N 0 0 241.243 2.027 20 5 BEBDRN CCc1ccccc1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813110489 586593598 /nfs/dbraw/zinc/59/35/98/586593598.db2.gz BRZGTABKDDIYMQ-SECBINFHSA-N 0 0 237.255 2.071 20 5 BEBDRN CC(C)c1ccoc1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813111764 586593660 /nfs/dbraw/zinc/59/36/60/586593660.db2.gz XBIMQFAYAGLTFV-MRVPVSSYSA-N 0 0 241.243 2.225 20 5 BEBDRN CCCCCCC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813110968 586593779 /nfs/dbraw/zinc/59/37/79/586593779.db2.gz NFVIHAVQSFQAMT-SECBINFHSA-N 0 0 217.265 2.165 20 5 BEBDRN C/C(=C\C(=O)OC[C@@H](C)[N+](=O)[O-])c1ccccc1 ZINC000813112741 586593839 /nfs/dbraw/zinc/59/38/39/586593839.db2.gz KGQQQVISPOITBL-RJCSOLBVSA-N 0 0 249.266 2.298 20 5 BEBDRN C[C@@H](COC(=O)c1sccc1Cl)[N+](=O)[O-] ZINC000813113431 586593879 /nfs/dbraw/zinc/59/38/79/586593879.db2.gz PUNDKADRURQIKJ-YFKPBYRVSA-N 0 0 249.675 2.224 20 5 BEBDRN Cc1cc(C(=O)OC[C@@H](C)[N+](=O)[O-])c(C)s1 ZINC000813113419 586594043 /nfs/dbraw/zinc/59/40/43/586594043.db2.gz PPZIVHWRAUINCF-ZCFIWIBFSA-N 0 0 243.284 2.187 20 5 BEBDRN C[C@H](COC(=O)[C@@H]1CCCC1(C)C)[N+](=O)[O-] ZINC000813113813 586594158 /nfs/dbraw/zinc/59/41/58/586594158.db2.gz JKSMTCFRYIAMHC-BDAKNGLRSA-N 0 0 229.276 2.021 20 5 BEBDRN CCCCSCCC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814037941 586611735 /nfs/dbraw/zinc/61/17/35/586611735.db2.gz JLOFOJXYVXYGTL-SECBINFHSA-N 0 0 249.332 2.118 20 5 BEBDRN CCc1ccc(C(=O)O[C@@H](C)C[N+](=O)[O-])s1 ZINC000814037828 586612115 /nfs/dbraw/zinc/61/21/15/586612115.db2.gz HHWOUAPGMZNBBU-ZETCQYMHSA-N 0 0 243.284 2.133 20 5 BEBDRN Cc1oc(C)c(C(=O)O[C@@H](C)C[N+](=O)[O-])c1C ZINC000814039272 586612343 /nfs/dbraw/zinc/61/23/43/586612343.db2.gz ZAVNFVLAQKISMU-LURJTMIESA-N 0 0 241.243 2.027 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1csc(Cl)c1 ZINC000814039400 586612386 /nfs/dbraw/zinc/61/23/86/586612386.db2.gz OXDXKNFCZKBEFM-RXMQYKEDSA-N 0 0 249.675 2.224 20 5 BEBDRN CCCC(C)(C)CC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814040349 586612414 /nfs/dbraw/zinc/61/24/14/586612414.db2.gz GBFGMXICXZYYJZ-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN CCCC1(C(=O)O[C@@H](C)C[N+](=O)[O-])CCC1 ZINC000814040253 586612446 /nfs/dbraw/zinc/61/24/46/586612446.db2.gz DLZAYZXNDOGRKK-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1ccc(Cl)s1 ZINC000814041979 586612507 /nfs/dbraw/zinc/61/25/07/586612507.db2.gz WTYBCCKEQHLCJX-RXMQYKEDSA-N 0 0 249.675 2.224 20 5 BEBDRN C[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])C1CCCC1 ZINC000814041267 586612612 /nfs/dbraw/zinc/61/26/12/586612612.db2.gz RWRHFWWKAILNAO-DTWKUNHWSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C1CCCCCC1 ZINC000814044377 586612753 /nfs/dbraw/zinc/61/27/53/586612753.db2.gz FEQDSUNMULCNFX-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN CCC(CC)[C@@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814045268 586612771 /nfs/dbraw/zinc/61/27/71/586612771.db2.gz ODGGNEYHZMZDAI-DTWKUNHWSA-N 0 0 231.292 2.267 20 5 BEBDRN C/C(=C\C(=O)O[C@H](C)C[N+](=O)[O-])C(C)(C)C ZINC000814045224 586612793 /nfs/dbraw/zinc/61/27/93/586612793.db2.gz ZFMUPJUWOGZCON-BNICOGTQSA-N 0 0 229.276 2.187 20 5 BEBDRN CCCC(CCC)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814043690 586612870 /nfs/dbraw/zinc/61/28/70/586612870.db2.gz HIMBXPBAMXAUEP-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN Cc1ccc(C(=O)O[C@H](C)C[N+](=O)[O-])cc1C ZINC000814047370 586613059 /nfs/dbraw/zinc/61/30/59/586613059.db2.gz UHASMSVEPDCABS-SNVBAGLBSA-N 0 0 237.255 2.125 20 5 BEBDRN CSCOc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000814758201 586632370 /nfs/dbraw/zinc/63/23/70/586632370.db2.gz LJQWXMDNPKPEON-UHFFFAOYSA-N 0 0 228.273 2.306 20 5 BEBDRN C[C@@H](COC(=O)[C@H]1CC2CCC1CC2)[N+](=O)[O-] ZINC000816090878 586707604 /nfs/dbraw/zinc/70/76/04/586707604.db2.gz BBGIVHFCHGNODZ-PMUOWJKOSA-N 0 0 241.287 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C(C)(C)C(C)(C)C ZINC000816097323 586707827 /nfs/dbraw/zinc/70/78/27/586707827.db2.gz ZMFHGQPBBHYBOK-MRVPVSSYSA-N 0 0 231.292 2.267 20 5 BEBDRN O=[N+]([O-])c1c(N[C@H]2CC23CC3)nc2ccccn21 ZINC000819941588 587003859 /nfs/dbraw/zinc/00/38/59/587003859.db2.gz PKSOWSRPFJNCLH-QMMMGPOBSA-N 0 0 244.254 2.207 20 5 BEBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N[C@H]1CC12CC2 ZINC000819940807 587004044 /nfs/dbraw/zinc/00/40/44/587004044.db2.gz BVTCRWPBXOANMG-VIFPVBQESA-N 0 0 249.226 2.467 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC[C@@H]1C ZINC000821201288 587101157 /nfs/dbraw/zinc/10/11/57/587101157.db2.gz BSUBIUVDODDALC-AEJSXWLSSA-N 0 0 229.276 2.021 20 5 BEBDRN CCC[C@@H](C)N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822500452 587172090 /nfs/dbraw/zinc/17/20/90/587172090.db2.gz SLLXTIXISKNQMR-SNVBAGLBSA-N 0 0 244.335 2.469 20 5 BEBDRN C[C@@H]1C[C@@H](C)N(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000826016387 587348345 /nfs/dbraw/zinc/34/83/45/587348345.db2.gz JCYLVGFZVUXIJK-NXEZZACHSA-N 0 0 242.319 2.079 20 5 BEBDRN C[C@@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1C ZINC000826643277 587357423 /nfs/dbraw/zinc/35/74/23/587357423.db2.gz KQIGIXPRNNHGGP-NXEZZACHSA-N 0 0 242.319 2.079 20 5 BEBDRN CC(C)C[C@@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827229825 587373270 /nfs/dbraw/zinc/37/32/70/587373270.db2.gz AGLCTWAVGSALSS-SNVBAGLBSA-N 0 0 244.335 2.373 20 5 BEBDRN CCCn1cc(Nc2ccc([N+](=O)[O-])nc2)cn1 ZINC000827690444 587396438 /nfs/dbraw/zinc/39/64/38/587396438.db2.gz MQGANPDUGAMZOI-UHFFFAOYSA-N 0 0 247.258 2.340 20 5 BEBDRN CC[C@H](C)CONc1ccc([N+](=O)[O-])nc1 ZINC000828241546 587427396 /nfs/dbraw/zinc/42/73/96/587427396.db2.gz NZHLARXDCFVUHF-QMMMGPOBSA-N 0 0 225.248 2.379 20 5 BEBDRN Cc1nn(CCCCCCCO)cc1[N+](=O)[O-] ZINC000829602614 587505544 /nfs/dbraw/zinc/50/55/44/587505544.db2.gz ZZMLEFZVWLCXAO-UHFFFAOYSA-N 0 0 241.291 2.043 20 5 BEBDRN C[C@H]1CC[C@@H](n2nc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829833952 587521312 /nfs/dbraw/zinc/52/13/12/587521312.db2.gz OBYROPHOANPEDF-NKWVEPMBSA-N 0 0 240.219 2.061 20 5 BEBDRN CC(C)C[C@H](C)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829833350 587521333 /nfs/dbraw/zinc/52/13/33/587521333.db2.gz CAQWMCDGKWPGAE-ZETCQYMHSA-N 0 0 242.235 2.307 20 5 BEBDRN C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000833030201 587697752 /nfs/dbraw/zinc/69/77/52/587697752.db2.gz VKXKHOIQBUKWEW-HOTUBEGUSA-N 0 0 248.282 2.428 20 5 BEBDRN CCCOC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000101705031 587766620 /nfs/dbraw/zinc/76/66/20/587766620.db2.gz WVEKECNWBJTJMZ-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN C[C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000835102976 587783761 /nfs/dbraw/zinc/78/37/61/587783761.db2.gz ISAQDXZNWLBVMQ-QMMMGPOBSA-N 0 0 229.276 2.164 20 5 BEBDRN CC[C@H](CC(C)C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000835453867 587802769 /nfs/dbraw/zinc/80/27/69/587802769.db2.gz HNOWCUKBRIEUOI-VHSXEESVSA-N 0 0 231.292 2.267 20 5 BEBDRN CC[C@@H]1CCC[C@H]1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000835453837 587802856 /nfs/dbraw/zinc/80/28/56/587802856.db2.gz HEWDZBUMJFEREX-OPRDCNLKSA-N 0 0 229.276 2.021 20 5 BEBDRN CC(C)CCCC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000835454968 587802961 /nfs/dbraw/zinc/80/29/61/587802961.db2.gz LOMFYFNFXUNXBT-SECBINFHSA-N 0 0 217.265 2.021 20 5 BEBDRN CC(C)(CCC(=O)O[C@@H]1C=CCCC1)[N+](=O)[O-] ZINC000837923890 587903328 /nfs/dbraw/zinc/90/33/28/587903328.db2.gz OFALDHPQKVUAMC-SNVBAGLBSA-N 0 0 241.287 2.474 20 5 BEBDRN CC[C@@H]1CCCC[C@@H]1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841000392 587934067 /nfs/dbraw/zinc/93/40/67/587934067.db2.gz AHGOMIWUOKOKRS-DBIOUOCHSA-N 0 0 241.287 2.164 20 5 BEBDRN COCCCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC000842051062 587993345 /nfs/dbraw/zinc/99/33/45/587993345.db2.gz PPAJTBSUROOKTH-UHFFFAOYSA-N 0 0 238.287 2.458 20 5 BEBDRN C[C@H](c1noc([C@@H]2CC2[N+](=O)[O-])n1)C(C)(C)C ZINC000842494860 588030949 /nfs/dbraw/zinc/03/09/49/588030949.db2.gz GCOLGSPJVCICLS-BWZBUEFSSA-N 0 0 239.275 2.352 20 5 BEBDRN O=c1c(F)cc([N+](=O)[O-])cn1CC1=CCCC1 ZINC000842636260 588047670 /nfs/dbraw/zinc/04/76/70/588047670.db2.gz GYXMRGNQFQOEJU-UHFFFAOYSA-N 0 0 238.218 2.006 20 5 BEBDRN Cc1c(OC(=O)C2(F)CC2)cccc1[N+](=O)[O-] ZINC000842690436 588053131 /nfs/dbraw/zinc/05/31/31/588053131.db2.gz UEZXWKMXILEYPJ-UHFFFAOYSA-N 0 0 239.202 2.311 20 5 BEBDRN C[C@H](COC(=O)[C@@H]1C[C@H]1CC(C)(C)C)[N+](=O)[O-] ZINC000842802358 588064852 /nfs/dbraw/zinc/06/48/52/588064852.db2.gz WOFBETOZQQFIGC-KXUCPTDWSA-N 0 0 243.303 2.267 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC000842807684 588065648 /nfs/dbraw/zinc/06/56/48/588065648.db2.gz YNBDYCCRHCAMHT-LPEHRKFASA-N 0 0 243.303 2.267 20 5 BEBDRN Cn1cc([N+](=O)[O-])cc1C(=O)OC1CCCC1 ZINC000844256978 588177113 /nfs/dbraw/zinc/17/71/13/588177113.db2.gz GORMGSDSJMJZJN-UHFFFAOYSA-N 0 0 238.243 2.033 20 5 BEBDRN CCCC(C)(C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000845578470 588232232 /nfs/dbraw/zinc/23/22/32/588232232.db2.gz YSFKFTRVUYLZRW-QMMMGPOBSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@H]1CCCC[C@@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000849807877 588502124 /nfs/dbraw/zinc/50/21/24/588502124.db2.gz VYSMASTWXXDRSI-LNFKQOIKSA-N 0 0 241.287 2.021 20 5 BEBDRN CCCC[C@@](C)(F)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000851035949 588585603 /nfs/dbraw/zinc/58/56/03/588585603.db2.gz ACPPUAZBWHKFEB-WCBMZHEXSA-N 0 0 235.255 2.113 20 5 BEBDRN C[C@H](COC(=O)[C@@H]1CCCC2(CC2)C1)[N+](=O)[O-] ZINC000851036544 588585638 /nfs/dbraw/zinc/58/56/38/588585638.db2.gz KGFGTRFKAWODLD-NXEZZACHSA-N 0 0 241.287 2.165 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(C2CC2)cc1 ZINC000851044226 588586517 /nfs/dbraw/zinc/58/65/17/588586517.db2.gz CBLAVJDBKRAKNL-VIFPVBQESA-N 0 0 249.266 2.386 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC2(CC2)C1 ZINC000851045571 588586594 /nfs/dbraw/zinc/58/65/94/588586594.db2.gz LIPKHWJOLZSCGP-UWVGGRQHSA-N 0 0 241.287 2.165 20 5 BEBDRN Cc1ccc(C(=O)OCC(C)(C)[N+](=O)[O-])cc1 ZINC000851124342 588592230 /nfs/dbraw/zinc/59/22/30/588592230.db2.gz SGDIDCKOUUDBMQ-UHFFFAOYSA-N 0 0 237.255 2.207 20 5 BEBDRN CCCCCC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851123036 588592245 /nfs/dbraw/zinc/59/22/45/588592245.db2.gz NTFBZNSRIBURDY-UHFFFAOYSA-N 0 0 217.265 2.165 20 5 BEBDRN CC(C)(C)SCC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851124513 588592283 /nfs/dbraw/zinc/59/22/83/588592283.db2.gz YUHMTQOVIJPMKQ-UHFFFAOYSA-N 0 0 249.332 2.117 20 5 BEBDRN C[C@@H]1CC/C(=C/C(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851125443 588592391 /nfs/dbraw/zinc/59/23/91/588592391.db2.gz DICQYFLFTRDQGM-SBMLRHLQSA-N 0 0 241.287 2.331 20 5 BEBDRN CCCCSCC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851124630 588592406 /nfs/dbraw/zinc/59/24/06/588592406.db2.gz FZPYMDAUYRSOKQ-UHFFFAOYSA-N 0 0 249.332 2.118 20 5 BEBDRN Cc1cc(C)c(C(=O)OCC(C)(C)[N+](=O)[O-])o1 ZINC000851126048 588592759 /nfs/dbraw/zinc/59/27/59/588592759.db2.gz LCMDHAKXEGEWIZ-UHFFFAOYSA-N 0 0 241.243 2.109 20 5 BEBDRN CCC(C)(CC)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128185 588592963 /nfs/dbraw/zinc/59/29/63/588592963.db2.gz LHXSOUCRQGDEFN-UHFFFAOYSA-N 0 0 231.292 2.411 20 5 BEBDRN CC(C)(COC(=O)[C@@]1(C)CC=CCC1)[N+](=O)[O-] ZINC000851128856 588593163 /nfs/dbraw/zinc/59/31/63/588593163.db2.gz GQQWOJBJKPZSFE-LBPRGKRZSA-N 0 0 241.287 2.331 20 5 BEBDRN C[C@@H]1CC=C(C(=O)OCC(C)(C)[N+](=O)[O-])CC1 ZINC000851129834 588593171 /nfs/dbraw/zinc/59/31/71/588593171.db2.gz SVHCIQMVCNDOFQ-SECBINFHSA-N 0 0 241.287 2.331 20 5 BEBDRN Cc1csc(C(=O)OCC(C)(C)[N+](=O)[O-])c1 ZINC000851130269 588593421 /nfs/dbraw/zinc/59/34/21/588593421.db2.gz YSRZRIXSULMALZ-UHFFFAOYSA-N 0 0 243.284 2.269 20 5 BEBDRN CC(C)(COC(=O)c1ccc(F)s1)[N+](=O)[O-] ZINC000851129885 588593498 /nfs/dbraw/zinc/59/34/98/588593498.db2.gz LTFVVIVWEDJSTB-UHFFFAOYSA-N 0 0 247.247 2.099 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]2C[C@@H]21 ZINC000851877578 588638521 /nfs/dbraw/zinc/63/85/21/588638521.db2.gz LQCKFWCWAQNVJA-KCJUWKMLSA-N 0 0 236.246 2.328 20 5 BEBDRN Cc1ccc(C(=O)OCCC[N+](=O)[O-])cc1C ZINC000860911363 589131319 /nfs/dbraw/zinc/13/13/19/589131319.db2.gz KYXVUCONZBLECW-UHFFFAOYSA-N 0 0 237.255 2.127 20 5 BEBDRN CC(C)(C)CCC(=O)OCCC[N+](=O)[O-] ZINC000860915233 589131474 /nfs/dbraw/zinc/13/14/74/589131474.db2.gz OXMICDNPOKIFME-UHFFFAOYSA-N 0 0 217.265 2.023 20 5 BEBDRN C[C@H](C(=O)OCCC[N+](=O)[O-])C1CCCC1 ZINC000860917321 589132015 /nfs/dbraw/zinc/13/20/15/589132015.db2.gz JRWHDTCPNXSBAO-VIFPVBQESA-N 0 0 229.276 2.023 20 5 BEBDRN CCC[C@@H]1CCC[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860919443 589132149 /nfs/dbraw/zinc/13/21/49/589132149.db2.gz YTGGYQXLXUICFT-GHMZBOCLSA-N 0 0 243.303 2.413 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])[C@@H]1C[C@@H]1C1CCCC1 ZINC000860919799 589132190 /nfs/dbraw/zinc/13/21/90/589132190.db2.gz WAVFYEMDMVSXOQ-GHMZBOCLSA-N 0 0 241.287 2.023 20 5 BEBDRN CC(C)(C)C(C)(C)C(=O)OCCC[N+](=O)[O-] ZINC000860919316 589132289 /nfs/dbraw/zinc/13/22/89/589132289.db2.gz WRQPJVJXMHQUAF-UHFFFAOYSA-N 0 0 231.292 2.269 20 5 BEBDRN CC(C)c1occc1C(=O)OCCC[N+](=O)[O-] ZINC000860920974 589132567 /nfs/dbraw/zinc/13/25/67/589132567.db2.gz LHNGKJOBHJDPQB-UHFFFAOYSA-N 0 0 241.243 2.227 20 5 BEBDRN CCCC(C)(C)CC(=O)OCCC[N+](=O)[O-] ZINC000860921624 589132575 /nfs/dbraw/zinc/13/25/75/589132575.db2.gz YKSCIKWSWMAMEI-UHFFFAOYSA-N 0 0 231.292 2.413 20 5 BEBDRN CC[C@H]1CC[C@H](C(=O)OCCC[N+](=O)[O-])CC1 ZINC000860921423 589132673 /nfs/dbraw/zinc/13/26/73/589132673.db2.gz REBQDYLYXCPXEB-XYPYZODXSA-N 0 0 243.303 2.413 20 5 BEBDRN CCCOCOc1ccc([N+](=O)[O-])cc1F ZINC000863290933 589276727 /nfs/dbraw/zinc/27/67/27/589276727.db2.gz GMUQMAYNZZNQES-UHFFFAOYSA-N 0 0 229.207 2.497 20 5 BEBDRN C[C@@H]1CCC[C@@H](Cn2ncc([N+](=O)[O-])n2)C1 ZINC000863374831 589284955 /nfs/dbraw/zinc/28/49/55/589284955.db2.gz YHNRMMNXQXVKNN-RKDXNWHRSA-N 0 0 224.264 2.013 20 5 BEBDRN CC(C)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000120226007 589393741 /nfs/dbraw/zinc/39/37/41/589393741.db2.gz BDFITKTUIYNGRP-UHFFFAOYSA-N 0 0 223.228 2.294 20 5 BEBDRN C[C@H](Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000865352235 589424143 /nfs/dbraw/zinc/42/41/43/589424143.db2.gz ZCPWCUHDSCEQNG-MRVPVSSYSA-N 0 0 211.265 2.474 20 5 BEBDRN C[C@@H](Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)(C)C ZINC000865357515 589424746 /nfs/dbraw/zinc/42/47/46/589424746.db2.gz JCZNAUMFBSNVAO-VIFPVBQESA-N 0 0 238.287 2.439 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn(CCCC2CC2)c1=O ZINC000865360326 589425627 /nfs/dbraw/zinc/42/56/27/589425627.db2.gz FHUZJFUGTCQMFM-UHFFFAOYSA-N 0 0 236.271 2.255 20 5 BEBDRN C=C=CCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000865824030 589463385 /nfs/dbraw/zinc/46/33/85/589463385.db2.gz JOCVSCKVANOOGD-UHFFFAOYSA-N 0 0 219.244 2.360 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC=C(Cl)C2)s1 ZINC000865905799 589467885 /nfs/dbraw/zinc/46/78/85/589467885.db2.gz WYZGNLRQNJUZEI-UHFFFAOYSA-N 0 0 245.691 2.384 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1CCC=C(Cl)C1 ZINC000865905708 589467896 /nfs/dbraw/zinc/46/78/96/589467896.db2.gz SZLGBZQPJCHTMA-UHFFFAOYSA-N 0 0 239.662 2.323 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC=C(Cl)C2)cn1 ZINC000865905292 589467982 /nfs/dbraw/zinc/46/79/82/589467982.db2.gz FFEVFJITWKYBBN-UHFFFAOYSA-N 0 0 239.662 2.323 20 5 BEBDRN C[C@@H](COC(=O)c1cscc1Cl)[N+](=O)[O-] ZINC000870376729 589661056 /nfs/dbraw/zinc/66/10/56/589661056.db2.gz LLUNJXFYFWTCFP-YFKPBYRVSA-N 0 0 249.675 2.224 20 5 BEBDRN CC(C)(COC(=O)[C@]12C[C@H]1CCCC2)[N+](=O)[O-] ZINC000870467796 589666782 /nfs/dbraw/zinc/66/67/82/589666782.db2.gz LOGICGIAMUUGCZ-BXKDBHETSA-N 0 0 241.287 2.165 20 5 BEBDRN CO[C@H]1C[C@@H](COc2ccc([N+](=O)[O-])cc2)C1 ZINC000871630940 589779340 /nfs/dbraw/zinc/77/93/40/589779340.db2.gz ZEZRWXJKWAMORM-WVSHTKLVSA-N 0 0 237.255 2.399 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CCCC1CC1 ZINC000871742819 589802462 /nfs/dbraw/zinc/80/24/62/589802462.db2.gz QSIZJNBIYUBDMC-UHFFFAOYSA-N 0 0 236.271 2.255 20 5 BEBDRN Cc1cn(CCCC2CC2)nc1[N+](=O)[O-] ZINC000871749962 589805272 /nfs/dbraw/zinc/80/52/72/589805272.db2.gz VODZZRKQMNIAQR-UHFFFAOYSA-N 0 0 209.249 2.290 20 5 BEBDRN CCCCCC[C@H](O)Cn1ccnc1[N+](=O)[O-] ZINC000871987071 589853371 /nfs/dbraw/zinc/85/33/71/589853371.db2.gz NJXDSEPVWRGHIB-JTQLQIEISA-N 0 0 241.291 2.123 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)OCCF ZINC000873438771 590044843 /nfs/dbraw/zinc/04/48/43/590044843.db2.gz YCWCCFRIGVVFHL-UHFFFAOYSA-N 0 0 241.218 2.338 20 5 BEBDRN Nc1ccc([N+](=O)[O-])cc1-c1nc(C2CC2)no1 ZINC000020557765 590121385 /nfs/dbraw/zinc/12/13/85/590121385.db2.gz MXCIMMHEQBEHQG-UHFFFAOYSA-N 0 0 246.226 2.104 20 5 BEBDRN Cc1ccc(/C=C/N2CCCC2=O)cc1[N+](=O)[O-] ZINC000876501946 590203156 /nfs/dbraw/zinc/20/31/56/590203156.db2.gz SDRKQSQFPZGIFO-SOFGYWHQSA-N 0 0 246.266 2.496 20 5 BEBDRN Cc1ccc(OCCOC2CC2)c([N+](=O)[O-])c1 ZINC000877888162 590439596 /nfs/dbraw/zinc/43/95/96/590439596.db2.gz KYLLCAYSHVWLGV-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cc(OCCOC2CC2)ccc1[N+](=O)[O-] ZINC000877888288 590439804 /nfs/dbraw/zinc/43/98/04/590439804.db2.gz PUXRSYLQKOYSCA-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cc(NC2CSC2)c([N+](=O)[O-])s1 ZINC000882625722 591402920 /nfs/dbraw/zinc/40/29/20/591402920.db2.gz MRFBHNJACSDCFA-UHFFFAOYSA-N 0 0 230.314 2.492 20 5 BEBDRN C[C@@H](O)CSc1c(F)cccc1[N+](=O)[O-] ZINC000882737467 591424475 /nfs/dbraw/zinc/42/44/75/591424475.db2.gz MDQCCODBOGBQLM-ZCFIWIBFSA-N 0 0 231.248 2.207 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC(F)CC1 ZINC000882807168 591446028 /nfs/dbraw/zinc/44/60/28/591446028.db2.gz KCBLVFZDMQUSRM-UHFFFAOYSA-N 0 0 239.250 2.237 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000132560725 591719297 /nfs/dbraw/zinc/71/92/97/591719297.db2.gz HPHAQCGIFYQWJF-LDWIPMOCSA-N 0 0 239.202 2.295 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3C[C@@H]3C2)s1 ZINC000884587171 591988178 /nfs/dbraw/zinc/98/81/78/591988178.db2.gz BYQUQKYUKQPJNJ-KNVOCYPGSA-N 0 0 210.258 2.112 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N(C)CCCF ZINC000884857139 592025202 /nfs/dbraw/zinc/02/52/02/592025202.db2.gz QMEQNHMSLFEBBC-UHFFFAOYSA-N 0 0 227.239 2.094 20 5 BEBDRN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ncco1 ZINC000886275858 592195862 /nfs/dbraw/zinc/19/58/62/592195862.db2.gz OSGBQVVSNGJJRR-SECBINFHSA-N 0 0 247.254 2.434 20 5 BEBDRN CCCOC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000104774848 634578050 /nfs/dbraw/zinc/57/80/50/634578050.db2.gz WZYXXSCEAUAYGP-UHFFFAOYSA-N 0 0 238.243 2.203 20 5 BEBDRN C/C=C\COC(=O)c1ccccc1[N+](=O)[O-] ZINC000255397827 631487681 /nfs/dbraw/zinc/48/76/81/631487681.db2.gz JRXXRISONDEOGX-IHWYPQMZSA-N 0 0 221.212 2.328 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)[C@@H]1C ZINC000610588427 631502733 /nfs/dbraw/zinc/50/27/33/631502733.db2.gz ZUVMECRCYORPQO-RKDXNWHRSA-N 0 0 221.260 2.225 20 5 BEBDRN CCc1ccc([N+](=O)[O-])cc1NCCOC ZINC000309211219 631969008 /nfs/dbraw/zinc/96/90/08/631969008.db2.gz HDFWJCXXSSUVLL-UHFFFAOYSA-N 0 0 224.260 2.216 20 5 BEBDRN C[C@@H]1C[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000309241579 631981421 /nfs/dbraw/zinc/98/14/21/631981421.db2.gz AWFJCGOIVXBEOK-SFYZADRCSA-N 0 0 221.260 2.245 20 5 BEBDRN C[C@@H]1CCN1c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804374550 635691459 /nfs/dbraw/zinc/69/14/59/635691459.db2.gz AAKRZIPPYRYVHC-SSDOTTSWSA-N 0 0 237.215 2.102 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000066275716 632866959 /nfs/dbraw/zinc/86/69/59/632866959.db2.gz KIKMIBDRFKZCOV-KWQFWETISA-N 0 0 235.239 2.294 20 5 BEBDRN CC1(CNc2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000309269111 632867792 /nfs/dbraw/zinc/86/77/92/632867792.db2.gz KLUQJAVISVVNMO-UHFFFAOYSA-N 0 0 221.260 2.389 20 5 BEBDRN CN(CCCF)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000895283628 636129543 /nfs/dbraw/zinc/12/95/43/636129543.db2.gz ZAHBNQHHXZKVAF-UHFFFAOYSA-N 0 0 246.263 2.088 20 5 BEBDRN CC(C)OC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000094190698 636257992 /nfs/dbraw/zinc/25/79/92/636257992.db2.gz RHTRQTADKQSKHD-UHFFFAOYSA-N 0 0 245.181 2.438 20 5 BEBDRN CCC(=O)OCc1c(F)cccc1[N+](=O)[O-] ZINC000728990183 636445519 /nfs/dbraw/zinc/44/55/19/636445519.db2.gz DBSZYPKMAWPSRP-UHFFFAOYSA-N 0 0 227.191 2.187 20 5 BEBDRN C[C@H]1C[C@@H]1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000729088395 636600931 /nfs/dbraw/zinc/60/09/31/636600931.db2.gz RIGMRAGOLBVAPH-NKWVEPMBSA-N 0 0 225.200 2.001 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2CCC2)c2nonc21 ZINC000035055827 636604434 /nfs/dbraw/zinc/60/44/34/636604434.db2.gz ZBKPMCKSGDANGI-UHFFFAOYSA-N 0 0 248.242 2.343 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NC/C=C/Cl ZINC000897503394 636728441 /nfs/dbraw/zinc/72/84/41/636728441.db2.gz NIZPBLRFZWLFNB-SNAWJCMRSA-N 0 0 244.682 2.284 20 5 BEBDRN CCc1nn(C)c(NC/C=C\Cl)c1[N+](=O)[O-] ZINC000897504805 636729162 /nfs/dbraw/zinc/72/91/62/636729162.db2.gz FGSFZDPIYWMNQT-PLNGDYQASA-N 0 0 244.682 2.055 20 5 BEBDRN CCCOC(=O)c1cccc([N+](=O)[O-])c1C ZINC000035101645 636740509 /nfs/dbraw/zinc/74/05/09/636740509.db2.gz COCWONWLUTYIGZ-UHFFFAOYSA-N 0 0 223.228 2.470 20 5 BEBDRN O=[N+]([O-])CCNCc1ccc(C2CC2)cc1F ZINC000905262084 637715509 /nfs/dbraw/zinc/71/55/09/637715509.db2.gz JBTHJGDGQDYJHX-UHFFFAOYSA-N 0 0 238.262 2.069 20 5 BEBDRN Cc1cc(N2CCCC2)ccc1NCC[N+](=O)[O-] ZINC000905298311 637726632 /nfs/dbraw/zinc/72/66/32/637726632.db2.gz AISNXKHMYKWULO-UHFFFAOYSA-N 0 0 249.314 2.284 20 5 BEBDRN CSc1cccc(NCC[N+](=O)[O-])c1 ZINC000905294383 637726821 /nfs/dbraw/zinc/72/68/21/637726821.db2.gz GDEMAGAUHABCHU-UHFFFAOYSA-N 0 0 212.274 2.097 20 5 BEBDRN CC(C)Oc1ccccc1NCC[N+](=O)[O-] ZINC000905297295 637728543 /nfs/dbraw/zinc/72/85/43/637728543.db2.gz ADIILZBBYBFNDM-UHFFFAOYSA-N 0 0 224.260 2.162 20 5 BEBDRN O=[N+]([O-])CCNc1ccc(N2CCCCC2)cc1 ZINC000905301170 637762889 /nfs/dbraw/zinc/76/28/89/637762889.db2.gz RXWDLIITARPCJM-UHFFFAOYSA-N 0 0 249.314 2.366 20 5 BEBDRN Cc1cc(OC(C)C)ccc1NCC[N+](=O)[O-] ZINC000905307464 637765867 /nfs/dbraw/zinc/76/58/67/637765867.db2.gz FWURYCIMTXMLSU-UHFFFAOYSA-N 0 0 238.287 2.471 20 5 BEBDRN CCCOc1ccc(NCC[N+](=O)[O-])cc1 ZINC000905330350 637781251 /nfs/dbraw/zinc/78/12/51/637781251.db2.gz REXYWHFEDKTDQZ-UHFFFAOYSA-N 0 0 224.260 2.164 20 5 BEBDRN Cc1nc(C)c(-c2cc([N+](=O)[O-])ccc2CO)o1 ZINC000906173071 638086690 /nfs/dbraw/zinc/08/66/90/638086690.db2.gz XPWYCCJCAFRALY-UHFFFAOYSA-N 0 0 248.238 2.359 20 5 BEBDRN CSc1ccccc1CN(C)CC[N+](=O)[O-] ZINC000930274536 639677472 /nfs/dbraw/zinc/67/74/72/639677472.db2.gz UILUJVFYOLCNTD-UHFFFAOYSA-N 0 0 240.328 2.117 20 5 BEBDRN CCON(CC[N+](=O)[O-])CC1CCCCC1 ZINC000930676803 639857939 /nfs/dbraw/zinc/85/79/39/639857939.db2.gz RPLNYCBIZMLNBW-UHFFFAOYSA-N 0 0 230.308 2.097 20 5 BEBDRN O=[N+]([O-])CCNC1(c2ccccc2F)CCC1 ZINC000930819626 639921765 /nfs/dbraw/zinc/92/17/65/639921765.db2.gz YNYINYIUBYQNHS-UHFFFAOYSA-N 0 0 238.262 2.071 20 5 BEBDRN CCC1(CC)CCC[N@H+](CC[N+](=O)[O-])C1 ZINC000931014067 640019296 /nfs/dbraw/zinc/01/92/96/640019296.db2.gz BNEZDJMYGRWJNQ-UHFFFAOYSA-N 0 0 214.309 2.165 20 5 BEBDRN O=[N+]([O-])CCN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000931705158 640327266 /nfs/dbraw/zinc/32/72/66/640327266.db2.gz CVRSGFHHFOUULH-GWCFXTLKSA-N 0 0 232.283 2.197 20 5 BEBDRN CC1(C(=O)OCCc2ccccc2[N+](=O)[O-])CC1 ZINC000151261311 640351433 /nfs/dbraw/zinc/35/14/33/640351433.db2.gz BZCLOBHOLXYUTR-UHFFFAOYSA-N 0 0 249.266 2.481 20 5 BEBDRN O=C(OCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000060825964 640890968 /nfs/dbraw/zinc/89/09/68/640890968.db2.gz YVWMLKZYZRLPLR-UHFFFAOYSA-N 0 0 235.239 2.091 20 5 BEBDRN O=C(OCC(F)F)c1csc([N+](=O)[O-])c1 ZINC000171486590 640980752 /nfs/dbraw/zinc/98/07/52/640980752.db2.gz LJGRMASEGRGVAE-UHFFFAOYSA-N 0 0 237.183 2.078 20 5 BEBDRN CN(Cc1cc(F)ccc1[N+](=O)[O-])CC(F)F ZINC000171675149 641000758 /nfs/dbraw/zinc/00/07/58/641000758.db2.gz XHKKYIOXSMRZAX-UHFFFAOYSA-N 0 0 248.204 2.431 20 5 BEBDRN O=[N+]([O-])c1cnn(CCOC2CCCCC2)c1 ZINC000915671173 641851714 /nfs/dbraw/zinc/85/17/14/641851714.db2.gz LSIUCPIJYXBWEU-UHFFFAOYSA-N 0 0 239.275 2.141 20 5 BEBDRN COc1cccc(Cn2cnc([N+](=O)[O-])c2)c1C ZINC000916558428 641947705 /nfs/dbraw/zinc/94/77/05/641947705.db2.gz KVXVZPBFTPXORG-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN CCCCN(Cn1nccc1[N+](=O)[O-])C1CC1 ZINC000917427884 642062491 /nfs/dbraw/zinc/06/24/91/642062491.db2.gz BFUCPJIMEOFPRW-UHFFFAOYSA-N 0 0 238.291 2.013 20 5 BEBDRN Cc1nn(CCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000917733860 642116992 /nfs/dbraw/zinc/11/69/92/642116992.db2.gz VZYIZDXZQYIEDP-UHFFFAOYSA-N 0 0 249.245 2.482 20 5 BEBDRN O=[N+]([O-])c1nccn1CCCc1ccsc1 ZINC000918377793 642191149 /nfs/dbraw/zinc/19/11/49/642191149.db2.gz LCWGOXDAWRZMFP-UHFFFAOYSA-N 0 0 237.284 2.486 20 5 BEBDRN Cc1ccc(Cn2ccnc2[N+](=O)[O-])cc1C ZINC000918378649 642191192 /nfs/dbraw/zinc/19/11/92/642191192.db2.gz PZWLMBZOZYJCFW-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CC(C)(C)SCn1ccnc1[N+](=O)[O-] ZINC000918396327 642193689 /nfs/dbraw/zinc/19/36/89/642193689.db2.gz HWOQFOOYNLJJLV-UHFFFAOYSA-N 0 0 215.278 2.281 20 5 BEBDRN CCC(=O)OCc1csc([N+](=O)[O-])c1 ZINC000918858957 642280101 /nfs/dbraw/zinc/28/01/01/642280101.db2.gz OKCLOGRLDWUVGR-UHFFFAOYSA-N 0 0 215.230 2.110 20 5 BEBDRN CCCCCOC(=O)c1cc([N+](=O)[O-])cn1C ZINC000919024581 642291765 /nfs/dbraw/zinc/29/17/65/642291765.db2.gz AZPQLMJGVHOPEX-UHFFFAOYSA-N 0 0 240.259 2.280 20 5 BEBDRN CCC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000921365947 642600909 /nfs/dbraw/zinc/60/09/09/642600909.db2.gz YKVBMSNQNCRTNQ-MRVPVSSYSA-N 0 0 222.244 2.182 20 5 BEBDRN CC[C@H](C)CN(CC)Cn1nccc1[N+](=O)[O-] ZINC000174944601 642639961 /nfs/dbraw/zinc/63/99/61/642639961.db2.gz SAIUFEFFTYWIFA-JTQLQIEISA-N 0 0 240.307 2.117 20 5 BEBDRN CCCn1c(C)nc([N+](=O)[O-])c1Br ZINC000064332458 642646738 /nfs/dbraw/zinc/64/67/38/642646738.db2.gz YNVRAJWLTFPHKM-UHFFFAOYSA-N 0 0 248.080 2.272 20 5 BEBDRN O=Cc1c[nH]nc1C=Cc1cccc([N+](=O)[O-])c1 ZINC000098125504 642673392 /nfs/dbraw/zinc/67/33/92/642673392.db2.gz GNBLEIQETPFHQI-SNAWJCMRSA-N 0 0 243.222 2.301 20 5 BEBDRN CCCC(=O)Oc1ccc(OC)cc1[N+](=O)[O-] ZINC000072503440 643260404 /nfs/dbraw/zinc/26/04/04/643260404.db2.gz TYXRSNKECMYKRL-UHFFFAOYSA-N 0 0 239.227 2.309 20 5 BEBDRN O=[N+]([O-])c1nccn1CCCOc1ccccc1 ZINC000197385257 643674758 /nfs/dbraw/zinc/67/47/58/643674758.db2.gz HBVYWWVKKKMHIN-UHFFFAOYSA-N 0 0 247.254 2.260 20 5 BEBDRN CC(C)(CCC(=O)OC[C@@]1(C)C[C@H]1F)[N+](=O)[O-] ZINC000822149613 644149176 /nfs/dbraw/zinc/14/91/76/644149176.db2.gz FEYFIHGJVAPWLP-LDYMZIIASA-N 0 0 247.266 2.113 20 5 BEBDRN C/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000082255077 644357500 /nfs/dbraw/zinc/35/75/00/644357500.db2.gz JDLCXYZJLGLGDG-DUXPYHPUSA-N 0 0 206.201 2.109 20 5 BEBDRN C[C@@H](O)COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000083676509 644407459 /nfs/dbraw/zinc/40/74/59/644407459.db2.gz PHLRKPHMLAYSAN-ZCFIWIBFSA-N 0 0 231.635 2.008 20 5 BEBDRN C/C=C/COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000248173981 644668079 /nfs/dbraw/zinc/66/80/79/644668079.db2.gz UPWKHBLLWOHKNA-NSCUHMNNSA-N 0 0 221.212 2.328 20 5 BEBDRN Cc1ccc(N(C)[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000845752686 645385903 /nfs/dbraw/zinc/38/59/03/645385903.db2.gz PFSLAFZGWPVEOR-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1cccc(C2CC2)c1 ZINC000847715350 645433332 /nfs/dbraw/zinc/43/33/32/645433332.db2.gz GNNUTPVYNKFQTP-SECBINFHSA-N 0 0 249.266 2.386 20 5 BEBDRN C[C@@H](NC(=O)C(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000928247508 645718339 /nfs/dbraw/zinc/71/83/39/645718339.db2.gz WHMFZSCQQRGVAG-ZCFIWIBFSA-N 0 0 244.197 2.037 20 5 BEBDRN CCNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000929164546 645983135 /nfs/dbraw/zinc/98/31/35/645983135.db2.gz MJGGUEGRHBHGOG-UHFFFAOYSA-N 0 0 240.284 2.066 20 5 BEBDRN CCN(C)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000930029683 646402003 /nfs/dbraw/zinc/40/20/03/646402003.db2.gz XMVCIVCDMLDOJA-NEPJUHHUSA-N 0 0 248.282 2.177 20 5 BEBDRN C[C@H]1COCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000754080534 712406097 /nfs/dbraw/zinc/40/60/97/712406097.db2.gz ANKBUMUULNHTIQ-MRVPVSSYSA-N 0 0 242.300 2.129 20 5 BEBDRN O=[N+]([O-])c1cc(Cn2cccn2)ccc1Cl ZINC000037403839 712603669 /nfs/dbraw/zinc/60/36/69/712603669.db2.gz AYRSFJSVELERGU-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC12CC(O)C2 ZINC000724990127 711641458 /nfs/dbraw/zinc/64/14/58/711641458.db2.gz JEEZLDBVMVFJMM-YXMLORGKSA-N 0 0 248.282 2.229 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)C(C)C ZINC000125137351 711718139 /nfs/dbraw/zinc/71/81/39/711718139.db2.gz IBGIQJJMMKSNMQ-UHFFFAOYSA-N 0 0 223.228 2.465 20 5 BEBDRN C[C@H](O)C[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000228134069 711833739 /nfs/dbraw/zinc/83/37/39/711833739.db2.gz HEAXFHKKWWGFNK-YUMQZZPRSA-N 0 0 242.250 2.305 20 5 BEBDRN C/C=C\COC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731530250 711867687 /nfs/dbraw/zinc/86/76/87/711867687.db2.gz UJJWKOZYCOWEDH-IHWYPQMZSA-N 0 0 239.202 2.467 20 5 BEBDRN C[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000132281437 711979600 /nfs/dbraw/zinc/97/96/00/711979600.db2.gz HAOMAHDGPKYGAZ-RQJHMYQMSA-N 0 0 248.242 2.199 20 5 BEBDRN CC(=O)c1ccc(N2CC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000707030743 712163964 /nfs/dbraw/zinc/16/39/64/712163964.db2.gz OCRFNMIPTPAUAN-PWSUYJOCSA-N 0 0 246.266 2.396 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2COC3(CCC3)C2)nc1 ZINC000711133704 712286089 /nfs/dbraw/zinc/28/60/89/712286089.db2.gz JUNKTYIQKYEWET-SECBINFHSA-N 0 0 249.270 2.113 20 5 BEBDRN C[C@H](c1cc(F)ccc1F)N(C)CC[N+](=O)[O-] ZINC000791054340 712422376 /nfs/dbraw/zinc/42/23/76/712422376.db2.gz SZGLENKZDKCROO-MRVPVSSYSA-N 0 0 244.241 2.234 20 5 BEBDRN CCN(CC)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037285931 712567179 /nfs/dbraw/zinc/56/71/79/712567179.db2.gz ZQUDRUCZOUBAPS-UHFFFAOYSA-N 0 0 240.234 2.216 20 5 BEBDRN CCCOC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000379985891 712644229 /nfs/dbraw/zinc/64/42/29/712644229.db2.gz QWJRKUKKRUFMDY-UHFFFAOYSA-N 0 0 238.243 2.231 20 5 BEBDRN CO[C@@H](C)CNc1nccc(Cl)c1[N+](=O)[O-] ZINC001158805320 963926771 /nfs/dbraw/zinc/92/67/71/963926771.db2.gz KWOHATHUWZSMLQ-LURJTMIESA-N 0 0 245.666 2.090 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N ZINC001161700452 964700370 /nfs/dbraw/zinc/70/03/70/964700370.db2.gz BXGPNORVNAFECY-UHFFFAOYSA-N 0 0 210.233 2.273 20 5 BEBDRN O=[N+]([O-])c1sccc1OCc1nncs1 ZINC001166202938 966254243 /nfs/dbraw/zinc/25/42/43/966254243.db2.gz ZJGOCZRLZSDBER-UHFFFAOYSA-N 0 0 243.269 2.087 20 5 BEBDRN Cc1nc(N2CC[C@@H]3CCC[C@H]32)ncc1[N+](=O)[O-] ZINC001772506069 1165773525 /nfs/dbraw/zinc/77/35/25/1165773525.db2.gz MNQNKGHVZRYZQH-VHSXEESVSA-N 0 0 248.286 2.072 20 5 BEBDRN CCC[C@H](C)Nc1ccc([N+](=O)[O-])c(N)n1 ZINC000086830312 1165857863 /nfs/dbraw/zinc/85/78/63/1165857863.db2.gz QIUQWEKJZZGQPQ-ZETCQYMHSA-N 0 0 224.264 2.173 20 5 BEBDRN Cc1cnc(NC2(C)CC2)c([N+](=O)[O-])c1 ZINC000228885170 1166229580 /nfs/dbraw/zinc/22/95/80/1166229580.db2.gz LTPBWJVIYGOZNO-UHFFFAOYSA-N 0 0 207.233 2.263 20 5 BEBDRN C[C@@H](Oc1ccc([N+](=O)[O-])nc1)C(F)(F)F ZINC001226710161 975042929 /nfs/dbraw/zinc/04/29/29/975042929.db2.gz NKXYZDPGQUXZOB-RXMQYKEDSA-N 0 0 236.149 2.319 20 5 BEBDRN CC[C@H](COc1nccc(C)c1[N+](=O)[O-])OC ZINC001226117616 1167074483 /nfs/dbraw/zinc/07/44/83/1167074483.db2.gz CQYXMOUJVFNYHL-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN COc1cc(OC2CC=CC2)ncc1[N+](=O)[O-] ZINC001226581532 1167153482 /nfs/dbraw/zinc/15/34/82/1167153482.db2.gz SWTPZEYZYHXRIM-UHFFFAOYSA-N 0 0 236.227 2.096 20 5 BEBDRN CC(C)[C@@H](O)CCNc1ccsc1[N+](=O)[O-] ZINC000309373241 1167298356 /nfs/dbraw/zinc/29/83/56/1167298356.db2.gz QWQKZTQIFJZYBH-VIFPVBQESA-N 0 0 244.316 2.475 20 5 BEBDRN CO[C@H](C)COc1cc([N+](=O)[O-])c(C)cc1O ZINC001229749707 976979317 /nfs/dbraw/zinc/97/93/17/976979317.db2.gz HALATKILUWEQBJ-MRVPVSSYSA-N 0 0 241.243 2.023 20 5 BEBDRN COc1ccc(OC(C)C)c([N+](=O)[O-])c1 ZINC000034116575 1167561708 /nfs/dbraw/zinc/56/17/08/1167561708.db2.gz KTKMQHLMVIAMGZ-UHFFFAOYSA-N 0 0 211.217 2.391 20 5 BEBDRN O=[N+]([O-])c1ccccc1Nc1ncccn1 ZINC000034372112 1167570327 /nfs/dbraw/zinc/57/03/27/1167570327.db2.gz WQLMVPGRYHCSSY-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN CC[C@H](C)CCC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001177810928 978448319 /nfs/dbraw/zinc/44/83/19/978448319.db2.gz YFTZCTHGOPQRIC-ZETCQYMHSA-N 0 0 240.263 2.083 20 5 BEBDRN CC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(F)c1F ZINC001233764469 978694152 /nfs/dbraw/zinc/69/41/52/978694152.db2.gz GBIDNFYMZLTCNM-ZCFIWIBFSA-N 0 0 245.181 2.229 20 5 BEBDRN CC1(C)CC[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000336651069 1168445592 /nfs/dbraw/zinc/44/55/92/1168445592.db2.gz HUYWNHVIWXGNND-SNVBAGLBSA-N 0 0 221.260 2.012 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001344401522 980386011 /nfs/dbraw/zinc/38/60/11/980386011.db2.gz CFNVEWMUARPYEG-IVZWLZJFSA-N 0 0 243.303 2.267 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001345695677 980672500 /nfs/dbraw/zinc/67/25/00/980672500.db2.gz VSGNBTQUZGZWDQ-ZRUFSTJUSA-N 0 0 241.287 2.021 20 5 BEBDRN CCCC(C)(C)C(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001346197412 980781345 /nfs/dbraw/zinc/78/13/45/980781345.db2.gz KWHSXAVIVQHYLG-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN Cc1noc(C[NH2+][C@H](C)C2(C)CC2)c1[N+](=O)[O-] ZINC001198407181 982704018 /nfs/dbraw/zinc/70/40/18/982704018.db2.gz RWUBUKGCDMIOCF-MRVPVSSYSA-N 0 0 239.275 2.169 20 5 BEBDRN CC(C)Cc1nnc(-c2ccncc2[N+](=O)[O-])o1 ZINC001256481059 970850148 /nfs/dbraw/zinc/85/01/48/970850148.db2.gz JCBVHFQNNAUEKN-UHFFFAOYSA-N 0 0 248.242 2.238 20 5 BEBDRN CC(C)Cc1nnc(-c2cncc([N+](=O)[O-])c2)o1 ZINC001256490581 970853375 /nfs/dbraw/zinc/85/33/75/970853375.db2.gz HRYKGLHTNZNYOU-UHFFFAOYSA-N 0 0 248.242 2.238 20 5 BEBDRN C[C@H]1C[C@H]1c1nnc(-c2ncccc2[N+](=O)[O-])o1 ZINC001256716945 970932539 /nfs/dbraw/zinc/93/25/39/970932539.db2.gz FMZFIXRWQYYTKF-NKWVEPMBSA-N 0 0 246.226 2.163 20 5 BEBDRN C[C@@H]1C[C@H]1c1nnc(-c2ncccc2[N+](=O)[O-])o1 ZINC001256716946 970933206 /nfs/dbraw/zinc/93/32/06/970933206.db2.gz FMZFIXRWQYYTKF-RNFRBKRXSA-N 0 0 246.226 2.163 20 5 BEBDRN C[C@@H]1C[C@H]1c1nnc(-c2cncc([N+](=O)[O-])c2)o1 ZINC001256727468 970947721 /nfs/dbraw/zinc/94/77/21/970947721.db2.gz NTLCDJPLLJVBGB-HZGVNTEJSA-N 0 0 246.226 2.163 20 5 BEBDRN Cn1nccc1Nc1cc(F)cc([N+](=O)[O-])c1 ZINC001216481105 971092465 /nfs/dbraw/zinc/09/24/65/971092465.db2.gz QXOGSDZTAOCIFR-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN Nc1cccn1-c1cc(F)cc([N+](=O)[O-])c1 ZINC001216482368 971098993 /nfs/dbraw/zinc/09/89/93/971098993.db2.gz JEEIRSLGPJWCOG-UHFFFAOYSA-N 0 0 221.191 2.107 20 5 BEBDRN CC[C@@H](CC(F)F)Cn1ncc([N+](=O)[O-])c1N ZINC001330059266 974089104 /nfs/dbraw/zinc/08/91/04/974089104.db2.gz KKOZULKIFDWLMJ-LURJTMIESA-N 0 0 248.233 2.055 20 5 BEBDRN C[C@@H](OC1CC(O)C1)c1ccc([N+](=O)[O-])cc1 ZINC001217849568 971441575 /nfs/dbraw/zinc/44/15/75/971441575.db2.gz LQHOWOKKARLZJX-HUUUCTMMSA-N 0 0 237.255 2.196 20 5 BEBDRN Nc1c(-c2nnc(C3CC3)o2)cccc1[N+](=O)[O-] ZINC001257673055 971475998 /nfs/dbraw/zinc/47/59/98/971475998.db2.gz KNVVMJVVWGQKCR-UHFFFAOYSA-N 0 0 246.226 2.104 20 5 BEBDRN Cc1[nH]c(=O)cc(O[C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC001228688079 1169639195 /nfs/dbraw/zinc/63/91/95/1169639195.db2.gz DIQQFRLIKCNREA-MRVPVSSYSA-N 0 0 236.227 2.101 20 5 BEBDRN CCCC=Nc1nccc(OC)c1[N+](=O)[O-] ZINC001170763794 971748351 /nfs/dbraw/zinc/74/83/51/971748351.db2.gz KVKMDMDZLWGVCY-GQCTYLIASA-N 0 0 223.232 2.334 20 5 BEBDRN O=[N+]([O-])c1cccc(O[C@H]2C[C@@H](O)C2)c1Cl ZINC001218413365 971786676 /nfs/dbraw/zinc/78/66/76/971786676.db2.gz JTKFCABDCSLIJM-KNVOCYPGSA-N 0 0 243.646 2.150 20 5 BEBDRN CC[C@H](C)[C@@H](C)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229451100 1169663845 /nfs/dbraw/zinc/66/38/45/1169663845.db2.gz BZDHETANPOFAJZ-DTWKUNHWSA-N 0 0 240.259 2.042 20 5 BEBDRN O=[N+]([O-])c1ccc(NCOc2ccccc2)nc1 ZINC001170803316 971849288 /nfs/dbraw/zinc/84/92/88/971849288.db2.gz PYNIQECQTQYMEF-UHFFFAOYSA-N 0 0 245.238 2.438 20 5 BEBDRN CCCC=Nc1ncc([N+](=O)[O-])cc1F ZINC001159668702 972013276 /nfs/dbraw/zinc/01/32/76/972013276.db2.gz YASHZFBMLVNDSO-ONEGZZNKSA-N 0 0 211.196 2.465 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC[C@H](O)C2CC2)c1 ZINC000402427208 958223253 /nfs/dbraw/zinc/22/32/53/958223253.db2.gz KPIJWHBRGGMQJI-NSHDSACASA-N 0 0 237.255 2.053 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C1=CC[C@H](C)CC1 ZINC001349805031 958831440 /nfs/dbraw/zinc/83/14/40/958831440.db2.gz DXPZZZMOHUXSHU-GXSJLCMTSA-N 0 0 241.287 2.331 20 5 BEBDRN Cc1conc1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000708354338 959360644 /nfs/dbraw/zinc/36/06/44/959360644.db2.gz TZTBRCLROZQKFG-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cnccn2)cc1 ZINC000309112314 959659389 /nfs/dbraw/zinc/65/93/89/959659389.db2.gz ALJDWYVXIWIPIC-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN CC[C@H](C)O[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001204619518 959889885 /nfs/dbraw/zinc/88/98/85/959889885.db2.gz AVXOLELLVKQAIX-ONGXEEELSA-N 0 0 224.260 2.215 20 5 BEBDRN CC[C@@H](C)O[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001204622322 959912519 /nfs/dbraw/zinc/91/25/19/959912519.db2.gz LJXPLBUNFQIXHG-RKDXNWHRSA-N 0 0 241.291 2.303 20 5 BEBDRN O=c1[nH]ccc(NC[C@]23C[C@H]2CCC3)c1[N+](=O)[O-] ZINC000695458415 960259304 /nfs/dbraw/zinc/25/93/04/960259304.db2.gz OWMHQMDZOWFQJY-PELKAZGASA-N 0 0 249.270 2.298 20 5 BEBDRN O=[N+]([O-])C[C@@H](OCc1ccccc1)C1CC1 ZINC001204638415 960425219 /nfs/dbraw/zinc/42/52/19/960425219.db2.gz LTEMXOQQJFUYMX-GFCCVEGCSA-N 0 0 221.256 2.259 20 5 BEBDRN CO[C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001222698978 960772568 /nfs/dbraw/zinc/77/25/68/960772568.db2.gz BIZHPMXYBNRQIE-ZCFIWIBFSA-N 0 0 225.200 2.031 20 5 BEBDRN Cc1cccc(OC2CC3(COC3)C2)c1[N+](=O)[O-] ZINC001225630854 962452927 /nfs/dbraw/zinc/45/29/27/962452927.db2.gz AUUKJLHNKRLPNS-UHFFFAOYSA-N 0 0 249.266 2.461 20 5 BEBDRN O=c1cc[nH]c(O[C@H]2C[C@H]3C=C[C@@H]2C3)c1[N+](=O)[O-] ZINC001225666724 962586451 /nfs/dbraw/zinc/58/64/51/962586451.db2.gz LLSYKOWCAWXXQS-XKSSXDPKSA-N 0 0 248.238 2.039 20 5 BEBDRN Cc1oncc1CNc1ncc([N+](=O)[O-])cc1C ZINC001154880896 962880652 /nfs/dbraw/zinc/88/06/52/962880652.db2.gz PAMRYJVXZFFXOH-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC(C)=C(C)CC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001155043235 962950107 /nfs/dbraw/zinc/95/01/07/962950107.db2.gz LFPMMEQXWYAXDN-UHFFFAOYSA-N 0 0 238.247 2.003 20 5 BEBDRN COc1nc(C)c(NCC(C)C)cc1[N+](=O)[O-] ZINC001161648367 963020969 /nfs/dbraw/zinc/02/09/69/963020969.db2.gz FRXAIWGRDNDJJW-UHFFFAOYSA-N 0 0 239.275 2.375 20 5 BEBDRN C[C@@H]1CCCN(c2cccc([N+](=O)[O-])n2)C1 ZINC001155201279 963022092 /nfs/dbraw/zinc/02/20/92/963022092.db2.gz WTQPTHHHSAMSSV-SECBINFHSA-N 0 0 221.260 2.226 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1ccc2cnoc2c1)C1CC1 ZINC001226449252 963193384 /nfs/dbraw/zinc/19/33/84/963193384.db2.gz OQXKTPLZRPZIGC-LBPRGKRZSA-N 0 0 248.238 2.262 20 5 BEBDRN CC[C@H](C)Nc1cc([N+](=O)[O-])cnc1OC ZINC001167999504 963211443 /nfs/dbraw/zinc/21/14/43/963211443.db2.gz LVHJTYSNRRNLNB-ZETCQYMHSA-N 0 0 225.248 2.209 20 5 BEBDRN CC[C@H](C)Nc1cc([N+](=O)[O-])c(OC)cn1 ZINC001168001026 963223556 /nfs/dbraw/zinc/22/35/56/963223556.db2.gz YEPVTEYGCYZKLO-ZETCQYMHSA-N 0 0 225.248 2.209 20 5 BEBDRN COCCO[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001204979256 963289377 /nfs/dbraw/zinc/28/93/77/963289377.db2.gz WACLWCLSFBOMDZ-SECBINFHSA-N 0 0 225.244 2.319 20 5 BEBDRN CC(=O)CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001156780863 963462279 /nfs/dbraw/zinc/46/22/79/963462279.db2.gz KJCNNZXJBYNDIN-UHFFFAOYSA-N 0 0 245.238 2.144 20 5 BEBDRN Cc1cc(NC#N)nc2ccc([N+](=O)[O-])cc12 ZINC001157819931 963737550 /nfs/dbraw/zinc/73/75/50/963737550.db2.gz JOMWQNVWVGPYGH-UHFFFAOYSA-N 0 0 228.211 2.344 20 5 BEBDRN Nc1cc([N+](=O)[O-])cnc1NC(C1CC1)C1CC1 ZINC001157921294 963766691 /nfs/dbraw/zinc/76/66/91/963766691.db2.gz DEFWTGASYIWCMT-UHFFFAOYSA-N 0 0 248.286 2.173 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(NCCC2CCC2)n1 ZINC001158052302 963800061 /nfs/dbraw/zinc/80/00/61/963800061.db2.gz YIYOWLRBKQYRIZ-UHFFFAOYSA-N 0 0 236.275 2.295 20 5 BEBDRN CCCNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001168136666 963833644 /nfs/dbraw/zinc/83/36/44/963833644.db2.gz HAXYXOWZSSNBCO-UHFFFAOYSA-N 0 0 220.232 2.293 20 5 BEBDRN Cc1ccc(Nc2c[nH]ccc2=O)c([N+](=O)[O-])c1 ZINC001214169261 964113506 /nfs/dbraw/zinc/11/35/06/964113506.db2.gz DGTLQFLCSFWBES-UHFFFAOYSA-N 0 0 245.238 2.335 20 5 BEBDRN CCCC=Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001159668060 964140559 /nfs/dbraw/zinc/14/05/59/964140559.db2.gz LGTZMQUIHOJXKK-ONEGZZNKSA-N 0 0 243.650 2.217 20 5 BEBDRN Cc1ccccc1CNc1nccnc1[N+](=O)[O-] ZINC001161616746 964648510 /nfs/dbraw/zinc/64/85/10/964648510.db2.gz LUQIXTMYSDXEOC-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CNc1cc([N+](=O)[O-])cnc1NCC(C)(C)C ZINC001161634944 964654359 /nfs/dbraw/zinc/65/43/59/964654359.db2.gz SEDYDPWIHPKLBZ-UHFFFAOYSA-N 0 0 238.291 2.490 20 5 BEBDRN CCC[C@H](C)Nc1ncc([N+](=O)[O-])cc1N ZINC001161719266 964710043 /nfs/dbraw/zinc/71/00/43/964710043.db2.gz GJCYTBMCIBALRW-ZETCQYMHSA-N 0 0 224.264 2.173 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(N[C@@H]2CC=CCC2)n1 ZINC001161751407 964735767 /nfs/dbraw/zinc/73/57/67/964735767.db2.gz DKLSUOZSOHHOBA-SECBINFHSA-N 0 0 234.259 2.214 20 5 BEBDRN CC(C)CO[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001204923536 965024418 /nfs/dbraw/zinc/02/44/18/965024418.db2.gz PGBGLBRMHPMVQX-LLVKDONJSA-N 0 0 224.260 2.072 20 5 BEBDRN CCc1nn(C)c(N[C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC000698293749 965187956 /nfs/dbraw/zinc/18/79/56/965187956.db2.gz OCXQNIHSUHDMCE-MRVPVSSYSA-N 0 0 236.275 2.021 20 5 BEBDRN C[C@H](Nc1cc([N+](=O)[O-])ccn1)c1ccno1 ZINC001163207021 965298102 /nfs/dbraw/zinc/29/81/02/965298102.db2.gz CYEUYVJTSHQMJW-ZETCQYMHSA-N 0 0 234.215 2.151 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)c1ccno1 ZINC001163207775 965302996 /nfs/dbraw/zinc/30/29/96/965302996.db2.gz SIDKCJQKRDCIOO-QMMMGPOBSA-N 0 0 248.242 2.459 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(OC[C@@H]2CCO2)cc1F ZINC001233597216 965535346 /nfs/dbraw/zinc/53/53/46/965535346.db2.gz KDUZAMFCKWIAIW-LURJTMIESA-N 0 0 245.181 2.041 20 5 BEBDRN CC(C)CCO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001205085105 965615888 /nfs/dbraw/zinc/61/58/88/965615888.db2.gz HXZAOGVOUBYZNN-JTQLQIEISA-N 0 0 201.266 2.104 20 5 BEBDRN CC(C)CCO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001205084776 965618316 /nfs/dbraw/zinc/61/83/16/965618316.db2.gz CIALCBPQKCFTJQ-LBPRGKRZSA-N 0 0 238.287 2.462 20 5 BEBDRN CCCCO[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001205139140 966011084 /nfs/dbraw/zinc/01/10/84/966011084.db2.gz KRCHEYXOHJIDMG-VIFPVBQESA-N 0 0 241.291 2.305 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cccc(F)n2)cn1 ZINC001203561538 966689560 /nfs/dbraw/zinc/68/95/60/966689560.db2.gz YDECJDITGPFZBX-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ncc(F)s2)cn1 ZINC001203560231 966690374 /nfs/dbraw/zinc/69/03/74/966690374.db2.gz JFWRJZBVINCVSY-UHFFFAOYSA-N 0 0 240.219 2.329 20 5 BEBDRN Cc1cccc(Nc2ccc([N+](=O)[O-])nc2)n1 ZINC001203559994 966691560 /nfs/dbraw/zinc/69/15/60/966691560.db2.gz FGMPXLDDCVZQPR-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ncnc(C)c1Nc1ccc([N+](=O)[O-])nc1 ZINC001203568995 966696736 /nfs/dbraw/zinc/69/67/36/966696736.db2.gz MTJPWESLIIPHLQ-UHFFFAOYSA-N 0 0 245.242 2.140 20 5 BEBDRN Cc1cnc(Nc2ccc([N+](=O)[O-])nc2)c(C)n1 ZINC001203567100 966697733 /nfs/dbraw/zinc/69/77/33/966697733.db2.gz XEQYHURGFWCJDV-UHFFFAOYSA-N 0 0 245.242 2.140 20 5 BEBDRN Cc1cnc(Nc2cccc([N+](=O)[O-])c2)cn1 ZINC001204406985 966991563 /nfs/dbraw/zinc/99/15/63/966991563.db2.gz JRKUFMSAZUXUJE-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN O=c1ccc(Nc2cccc([N+](=O)[O-])c2)c[nH]1 ZINC001204407161 966994006 /nfs/dbraw/zinc/99/40/06/966994006.db2.gz KSNYMEKBQCHKAQ-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2cccc(CO)n2)c1 ZINC001204439838 966997864 /nfs/dbraw/zinc/99/78/64/966997864.db2.gz MDNNVTOAMIBKAT-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN N#CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC001168631143 967142527 /nfs/dbraw/zinc/14/25/27/967142527.db2.gz LAMQRVPHSJGJEN-UHFFFAOYSA-N 0 0 214.184 2.036 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1NC#N ZINC001168631585 967147594 /nfs/dbraw/zinc/14/75/94/967147594.db2.gz YINNFBWWRJDPAD-UHFFFAOYSA-N 0 0 205.217 2.413 20 5 BEBDRN CCCCNc1cc([N+](=O)[O-])c2nccn2c1 ZINC001162204098 967735307 /nfs/dbraw/zinc/73/53/07/967735307.db2.gz KKYOXRNXIHWMCF-UHFFFAOYSA-N 0 0 234.259 2.455 20 5 BEBDRN COc1ccnc(NCC(C)(F)F)c1[N+](=O)[O-] ZINC001162227887 967770484 /nfs/dbraw/zinc/77/04/84/967770484.db2.gz GSRMFNMEOWHQQR-UHFFFAOYSA-N 0 0 247.201 2.066 20 5 BEBDRN CN(C)c1ncc([N+](=O)[O-])c2ccccc21 ZINC001163569668 968061869 /nfs/dbraw/zinc/06/18/69/968061869.db2.gz WQURDQFRTIFAHU-UHFFFAOYSA-N 0 0 217.228 2.209 20 5 BEBDRN Cc1nc(Nc2ccccc2[N+](=O)[O-])cc(=O)[nH]1 ZINC001206144361 968087491 /nfs/dbraw/zinc/08/74/91/968087491.db2.gz ISLMSBYZVZQAKC-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN COc1ncc([N+](=O)[O-])cc1NC1(C)CCC1 ZINC001164033074 968160879 /nfs/dbraw/zinc/16/08/79/968160879.db2.gz VQJBNKYISBMOAI-UHFFFAOYSA-N 0 0 237.259 2.353 20 5 BEBDRN CC1CC(N(C)c2cc([N+](=O)[O-])ccn2)C1 ZINC001164193913 968187551 /nfs/dbraw/zinc/18/75/51/968187551.db2.gz ONGHYKHTXWXBRR-UHFFFAOYSA-N 0 0 221.260 2.225 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2C=CCC2)c2nonc21 ZINC000698314454 968197828 /nfs/dbraw/zinc/19/78/28/968197828.db2.gz VSIBEEYUCVQQDS-ZETCQYMHSA-N 0 0 246.226 2.262 20 5 BEBDRN CCCc1nnc(-c2cc(C)c([N+](=O)[O-])cn2)o1 ZINC001253995200 969442874 /nfs/dbraw/zinc/44/28/74/969442874.db2.gz ZJRDGVGKANFZIX-UHFFFAOYSA-N 0 0 248.242 2.301 20 5 BEBDRN Cc1cc(-c2nnc(C3CC3)o2)ncc1[N+](=O)[O-] ZINC001254097577 969492262 /nfs/dbraw/zinc/49/22/62/969492262.db2.gz RFSWRCYCVKZXKS-UHFFFAOYSA-N 0 0 246.226 2.226 20 5 BEBDRN Cc1cc(Nc2ccc(N)c([N+](=O)[O-])c2)no1 ZINC001209933489 969695136 /nfs/dbraw/zinc/69/51/36/969695136.db2.gz OOPBPRREPVCWPM-UHFFFAOYSA-N 0 0 234.215 2.217 20 5 BEBDRN Nc1ccc(Nc2cncs2)cc1[N+](=O)[O-] ZINC001209935474 969695719 /nfs/dbraw/zinc/69/57/19/969695719.db2.gz XOYCVJLUHQZYDO-UHFFFAOYSA-N 0 0 236.256 2.377 20 5 BEBDRN Cc1ccnnc1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209934431 969695991 /nfs/dbraw/zinc/69/59/91/969695991.db2.gz HNUURCCZTYEMGS-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN COc1ncc(Nc2ccoc2)cc1[N+](=O)[O-] ZINC001210136776 969809369 /nfs/dbraw/zinc/80/93/69/969809369.db2.gz OSZUMZWIPOTTDQ-UHFFFAOYSA-N 0 0 235.199 2.335 20 5 BEBDRN CO[C@@H](C)CNc1c(Cl)nccc1[N+](=O)[O-] ZINC001169773132 969847026 /nfs/dbraw/zinc/84/70/26/969847026.db2.gz MMEMEUJHNGEEKT-LURJTMIESA-N 0 0 245.666 2.090 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2cnccn2)c1F ZINC001210378575 969880766 /nfs/dbraw/zinc/88/07/66/969880766.db2.gz KFQIPDFMBCDSLM-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2cccnc2)ccc1O ZINC001210392649 969881381 /nfs/dbraw/zinc/88/13/81/969881381.db2.gz JWSCLNYOACKUJG-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN Cc1nccnc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210393094 969881657 /nfs/dbraw/zinc/88/16/57/969881657.db2.gz NRGPGUGEDRUYRF-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN O=c1ccc(Nc2ccc(O)c([N+](=O)[O-])c2)c[nH]1 ZINC001210393366 969882247 /nfs/dbraw/zinc/88/22/47/969882247.db2.gz QZPWHOSEGFDMCC-UHFFFAOYSA-N 0 0 247.210 2.145 20 5 BEBDRN Cc1nocc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210393487 969882564 /nfs/dbraw/zinc/88/25/64/969882564.db2.gz BTAYSSMIMTZUDQ-UHFFFAOYSA-N 0 0 235.199 2.340 20 5 BEBDRN CCn1cc(Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC001210393658 969882644 /nfs/dbraw/zinc/88/26/44/969882644.db2.gz XKDDWCGVGGIZJU-UHFFFAOYSA-N 0 0 248.242 2.260 20 5 BEBDRN N=CNc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001157077408 970075621 /nfs/dbraw/zinc/07/56/21/970075621.db2.gz CEDRLZXWHJCTHU-UHFFFAOYSA-N 0 0 235.030 2.316 20 5 BEBDRN Cn1nccc1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001210948741 970083326 /nfs/dbraw/zinc/08/33/26/970083326.db2.gz AKUYZACNAKGDBX-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2ccncn2)ccc1F ZINC001211189507 970167545 /nfs/dbraw/zinc/16/75/45/970167545.db2.gz VIHOBWFNQZCQPP-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2ncccn2)ccc1F ZINC001211187998 970169826 /nfs/dbraw/zinc/16/98/26/970169826.db2.gz DDJZIGKYKHHOOO-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2ccno2)ccc1F ZINC001211189922 970170603 /nfs/dbraw/zinc/17/06/03/970170603.db2.gz BMQVRNIZALAJMF-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1ccncn1 ZINC001211284842 970218908 /nfs/dbraw/zinc/21/89/08/970218908.db2.gz PHRQBSMONSLBIF-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ccnc(NC[C@H]2C[C@H](F)C2)c1[N+](=O)[O-] ZINC001157453161 970313886 /nfs/dbraw/zinc/31/38/86/970313886.db2.gz WZYBIGSIEBGRTN-KYZUINATSA-N 0 0 239.250 2.458 20 5 BEBDRN Cc1cc(OC[C@H](O)C(C)C)ccc1[N+](=O)[O-] ZINC000302280379 970424523 /nfs/dbraw/zinc/42/45/23/970424523.db2.gz BLJQOKFSXOIZDB-LBPRGKRZSA-N 0 0 239.271 2.299 20 5 BEBDRN Cc1ccc(Nc2cnc[nH]c2=O)c([N+](=O)[O-])c1 ZINC001214169439 970447435 /nfs/dbraw/zinc/44/74/35/970447435.db2.gz MVZLLYIDJFFVMX-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CC[C@H]2C[C@H]2C1 ZINC001327707004 972705358 /nfs/dbraw/zinc/70/53/58/972705358.db2.gz CCPJBZQOWWCFPE-UWVGGRQHSA-N 0 0 233.271 2.144 20 5 BEBDRN C[C@@H](OC1CC(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC001223428155 973065895 /nfs/dbraw/zinc/06/58/95/973065895.db2.gz DSCALSYUCOUSTG-MRVPVSSYSA-N 0 0 235.239 2.404 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1CO[C@@H]1CCOC1 ZINC001223535116 973134996 /nfs/dbraw/zinc/13/49/96/973134996.db2.gz DKYZPNZWPSOCDS-SNVBAGLBSA-N 0 0 237.255 2.209 20 5 BEBDRN C[C@H](O[C@@H](C[N+](=O)[O-])C1CC1)c1nccs1 ZINC001224008182 973399130 /nfs/dbraw/zinc/39/91/30/973399130.db2.gz UCQZGOFYKZRGSE-CBAPKCEASA-N 0 0 242.300 2.276 20 5 BEBDRN CC[C@H](C)CO[C@H](C[N+](=O)[O-])C1CC1 ZINC001224664465 973837901 /nfs/dbraw/zinc/83/79/01/973837901.db2.gz PJHANJLKJJDNCP-WCBMZHEXSA-N 0 0 201.266 2.104 20 5 BEBDRN CC(C)=CCCO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001224716197 973883968 /nfs/dbraw/zinc/88/39/68/973883968.db2.gz HGEUIOIKPCGBCI-NSHDSACASA-N 0 0 213.277 2.415 20 5 BEBDRN C[C@H](OCC1COC1)c1ccccc1[N+](=O)[O-] ZINC001224745442 973906354 /nfs/dbraw/zinc/90/63/54/973906354.db2.gz BBHXDUIIBNLEBG-VIFPVBQESA-N 0 0 237.255 2.319 20 5 BEBDRN COc1nccc(Nc2ccccc2[N+](=O)[O-])n1 ZINC001206140370 974092056 /nfs/dbraw/zinc/09/20/56/974092056.db2.gz RKMGGYFAGUOPDZ-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN Cn1cnc(Nc2ccccc2[N+](=O)[O-])c1 ZINC001206140466 974095605 /nfs/dbraw/zinc/09/56/05/974095605.db2.gz VCMOXESFVMKTTM-UHFFFAOYSA-N 0 0 218.216 2.072 20 5 BEBDRN COc1cccc(O[C@H](C[N+](=O)[O-])C2CC2)c1 ZINC001225235807 974284563 /nfs/dbraw/zinc/28/45/63/974284563.db2.gz JFARUIIFIJGFRD-GFCCVEGCSA-N 0 0 237.255 2.129 20 5 BEBDRN COc1cccc(O[C@@H](C[N+](=O)[O-])C2CC2)c1 ZINC001225235809 974285457 /nfs/dbraw/zinc/28/54/57/974285457.db2.gz JFARUIIFIJGFRD-LBPRGKRZSA-N 0 0 237.255 2.129 20 5 BEBDRN Cc1nc(NC[C@H]2C=CCC2)ncc1[N+](=O)[O-] ZINC001330829492 974490226 /nfs/dbraw/zinc/49/02/26/974490226.db2.gz BPJNYSNLUZMMGJ-VIFPVBQESA-N 0 0 234.259 2.071 20 5 BEBDRN CCCOC[C@@H](C)Oc1ncccc1[N+](=O)[O-] ZINC001225592365 974578299 /nfs/dbraw/zinc/57/82/99/974578299.db2.gz FZRUWXXDBXCHIF-SECBINFHSA-N 0 0 240.259 2.184 20 5 BEBDRN O=[N+]([O-])c1cccnc1OC[C@H]1CCC=CO1 ZINC001225593746 974578354 /nfs/dbraw/zinc/57/83/54/974578354.db2.gz XNNUIHYRDQPJIM-SECBINFHSA-N 0 0 236.227 2.061 20 5 BEBDRN C[C@H](Oc1ncccc1[N+](=O)[O-])C1CC1 ZINC001225590437 974581346 /nfs/dbraw/zinc/58/13/46/974581346.db2.gz OPIFGMFRWVLGRN-ZETCQYMHSA-N 0 0 208.217 2.167 20 5 BEBDRN O=[N+]([O-])c1cccnc1O[C@@H]1C=CCC1 ZINC001225598598 974583067 /nfs/dbraw/zinc/58/30/67/974583067.db2.gz WQKILEWOQMCSAV-MRVPVSSYSA-N 0 0 206.201 2.087 20 5 BEBDRN O=[N+]([O-])c1ncccc1O[C@@H]1C=CCC1 ZINC001225629044 974604047 /nfs/dbraw/zinc/60/40/47/974604047.db2.gz CUDKVMURBFTPRE-MRVPVSSYSA-N 0 0 206.201 2.087 20 5 BEBDRN O=[N+]([O-])c1ncccc1OC1CCSCC1 ZINC001225628752 974604940 /nfs/dbraw/zinc/60/49/40/974604940.db2.gz UEPQRXHBACAWMS-UHFFFAOYSA-N 0 0 240.284 2.264 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1N1C[C@@H]3C[C@@H]3C1)CCN2 ZINC001331150947 974622702 /nfs/dbraw/zinc/62/27/02/974622702.db2.gz VZXZDXFRJKHKJP-DTORHVGOSA-N 0 0 245.282 2.019 20 5 BEBDRN CCOC[C@H](C)Oc1cc(C)c([N+](=O)[O-])cn1 ZINC001225661255 974631564 /nfs/dbraw/zinc/63/15/64/974631564.db2.gz JKGCAEQTKWQRIU-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN CC(C)[C@@H](C)Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225664127 974632316 /nfs/dbraw/zinc/63/23/16/974632316.db2.gz JYGGEEGFSCFKOR-SSDOTTSWSA-N 0 0 226.232 2.119 20 5 BEBDRN COC[C@H](C)Oc1cc(F)c(F)cc1[N+](=O)[O-] ZINC001225776405 974678753 /nfs/dbraw/zinc/67/87/53/974678753.db2.gz KKJNCDSNEDMVNH-LURJTMIESA-N 0 0 247.197 2.287 20 5 BEBDRN O=[N+]([O-])c1cccc(OC[C@H]2CCO2)c1Cl ZINC001225786407 974682282 /nfs/dbraw/zinc/68/22/82/974682282.db2.gz RZUCGSIWTODTQJ-SSDOTTSWSA-N 0 0 243.646 2.416 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1OC1CCOCC1 ZINC001225904637 974725785 /nfs/dbraw/zinc/72/57/85/974725785.db2.gz LCDYEHUSSNGMON-UHFFFAOYSA-N 0 0 241.218 2.292 20 5 BEBDRN CO[C@H](C)CCOc1c(O)cccc1[N+](=O)[O-] ZINC001226334203 974862652 /nfs/dbraw/zinc/86/26/52/974862652.db2.gz SLKGPGOPLYBFTO-MRVPVSSYSA-N 0 0 241.243 2.104 20 5 BEBDRN C[C@H](Oc1c(O)cccc1[N+](=O)[O-])C1CC1 ZINC001226335784 974863719 /nfs/dbraw/zinc/86/37/19/974863719.db2.gz MCFLUEVYMFLXEH-ZETCQYMHSA-N 0 0 223.228 2.478 20 5 BEBDRN Cc1nc(N[C@@]23C[C@@H]2CCCC3)ncc1[N+](=O)[O-] ZINC001331962328 974892460 /nfs/dbraw/zinc/89/24/60/974892460.db2.gz VQQMBBGRAFZUEZ-CABZTGNLSA-N 0 0 248.286 2.438 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC001332094391 974950194 /nfs/dbraw/zinc/95/01/94/974950194.db2.gz RKCBXKXJXKJITR-MFKMUULPSA-N 0 0 248.282 2.210 20 5 BEBDRN COc1cc(O[C@H](C)C2CC2)ncc1[N+](=O)[O-] ZINC001226576457 974962753 /nfs/dbraw/zinc/96/27/53/974962753.db2.gz QKCVFIGIZDKTRW-SSDOTTSWSA-N 0 0 238.243 2.176 20 5 BEBDRN C[C@H]1CCC[C@H](Oc2ncc([N+](=O)[O-])cn2)C1 ZINC001226734006 975052253 /nfs/dbraw/zinc/05/22/53/975052253.db2.gz VOLCYPXVHSPTHX-WPRPVWTQSA-N 0 0 237.259 2.342 20 5 BEBDRN C[C@H]1CC[C@H](Oc2ncc([N+](=O)[O-])cn2)CC1 ZINC001226733888 975052645 /nfs/dbraw/zinc/05/26/45/975052645.db2.gz UBCBMYMQLMCKHR-CZMCAQCFSA-N 0 0 237.259 2.342 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2CCOC2)c(Cl)c1 ZINC001226761690 975061686 /nfs/dbraw/zinc/06/16/86/975061686.db2.gz DCSWBUBDRAEUSK-MRVPVSSYSA-N 0 0 243.646 2.416 20 5 BEBDRN CCO[C@H](C)COc1cccc([N+](=O)[O-])c1 ZINC001226763217 975064396 /nfs/dbraw/zinc/06/43/96/975064396.db2.gz MBNOCXXXKQAWOW-SECBINFHSA-N 0 0 225.244 2.399 20 5 BEBDRN C/C=C\C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001332394616 975089395 /nfs/dbraw/zinc/08/93/95/975089395.db2.gz YUSVKGGXJZKQBY-IHWYPQMZSA-N 0 0 232.239 2.013 20 5 BEBDRN COC[C@H](C)Oc1cc(Cl)c([N+](=O)[O-])cn1 ZINC001226916332 975151934 /nfs/dbraw/zinc/15/19/34/975151934.db2.gz BMEWKYJLDNWNKC-LURJTMIESA-N 0 0 246.650 2.057 20 5 BEBDRN Cc1ccc(OC2CCOCC2)cc1[N+](=O)[O-] ZINC001226950856 975181295 /nfs/dbraw/zinc/18/12/95/975181295.db2.gz PGQDMOZIEKUREU-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC[C@H]1CCCO1 ZINC001226969325 975194777 /nfs/dbraw/zinc/19/47/77/975194777.db2.gz NARDANLHTVBVBU-SNVBAGLBSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1O[C@@H]1CCOC1 ZINC001226968526 975195531 /nfs/dbraw/zinc/19/55/31/975195531.db2.gz GSRYGRBOJSPWGS-SECBINFHSA-N 0 0 223.228 2.071 20 5 BEBDRN CC[C@@H](C)Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227105678 975278754 /nfs/dbraw/zinc/27/87/54/975278754.db2.gz BTTCIOBBVGGKIF-ZCFIWIBFSA-N 0 0 241.203 2.075 20 5 BEBDRN Cc1ccc(OC2CCC2)c([N+](=O)[O-])n1 ZINC001227219595 975315696 /nfs/dbraw/zinc/31/56/96/975315696.db2.gz MREFAAOWTGIOCO-UHFFFAOYSA-N 0 0 208.217 2.230 20 5 BEBDRN Cc1ccnc(C)c1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001227263382 975339668 /nfs/dbraw/zinc/33/96/68/975339668.db2.gz GAWQJNTUQCYKES-NSHDSACASA-N 0 0 236.271 2.133 20 5 BEBDRN CC(=O)c1ccc(O[C@H](C[N+](=O)[O-])C2CC2)cc1 ZINC001227465217 975442116 /nfs/dbraw/zinc/44/21/16/975442116.db2.gz UJYLYUXFCHURRT-CYBMUJFWSA-N 0 0 249.266 2.323 20 5 BEBDRN CC[C@@H](COC)Oc1ccccc1[N+](=O)[O-] ZINC001227478793 975461007 /nfs/dbraw/zinc/46/10/07/975461007.db2.gz CCUAQFFMUKWYQI-VIFPVBQESA-N 0 0 225.244 2.399 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2CC3(COC3)C2)cc1 ZINC001227521077 975501353 /nfs/dbraw/zinc/50/13/53/975501353.db2.gz NHBQTVKPQROMGT-UHFFFAOYSA-N 0 0 235.239 2.153 20 5 BEBDRN CO[C@H](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001227522954 975504592 /nfs/dbraw/zinc/50/45/92/975504592.db2.gz BKTCCVFVLNOILG-SECBINFHSA-N 0 0 225.244 2.399 20 5 BEBDRN C[C@@H](Oc1ncc([N+](=O)[O-])c2nc[nH]c21)C1CC1 ZINC001227692975 975617045 /nfs/dbraw/zinc/61/70/45/975617045.db2.gz HVRZYEKRGXFJGI-ZCFIWIBFSA-N 0 0 248.242 2.043 20 5 BEBDRN CC[C@@H](C)Oc1ncc([N+](=O)[O-])c2nc[nH]c21 ZINC001227691940 975617715 /nfs/dbraw/zinc/61/77/15/975617715.db2.gz RWEQJCCRMVINEJ-ZCFIWIBFSA-N 0 0 236.231 2.043 20 5 BEBDRN CC(C)[C@H](C)Oc1cncc([N+](=O)[O-])c1 ZINC001227987232 975834753 /nfs/dbraw/zinc/83/47/53/975834753.db2.gz GXSGJXHLCUTSAD-QMMMGPOBSA-N 0 0 210.233 2.413 20 5 BEBDRN CC(C)[C@@H](C)Oc1cncc([N+](=O)[O-])c1 ZINC001227987231 975835286 /nfs/dbraw/zinc/83/52/86/975835286.db2.gz GXSGJXHLCUTSAD-MRVPVSSYSA-N 0 0 210.233 2.413 20 5 BEBDRN O=[N+]([O-])c1cncc(OC2CC=CC2)c1 ZINC001227987080 975835658 /nfs/dbraw/zinc/83/56/58/975835658.db2.gz DNUWNUASXANXMT-UHFFFAOYSA-N 0 0 206.201 2.087 20 5 BEBDRN CC1CCC(Oc2ncncc2[N+](=O)[O-])CC1 ZINC001228655316 976411741 /nfs/dbraw/zinc/41/17/41/976411741.db2.gz QVAIRYNMZJHUCN-UHFFFAOYSA-N 0 0 237.259 2.342 20 5 BEBDRN O=[N+]([O-])c1cncnc1OC1CCCCCC1 ZINC001228655758 976412549 /nfs/dbraw/zinc/41/25/49/976412549.db2.gz VSEXGJRQZZMNNB-UHFFFAOYSA-N 0 0 237.259 2.486 20 5 BEBDRN COC[C@H](C)Oc1cc(C)cc([N+](=O)[O-])c1 ZINC001228833074 976507061 /nfs/dbraw/zinc/50/70/61/976507061.db2.gz HJRABDGLUJFEDQ-VIFPVBQESA-N 0 0 225.244 2.317 20 5 BEBDRN Cc1cc(O[C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC001228832927 976509076 /nfs/dbraw/zinc/50/90/76/976509076.db2.gz GDMRIZITTALLEM-NSHDSACASA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OC1CCOCC1 ZINC001228915507 976575404 /nfs/dbraw/zinc/57/54/04/976575404.db2.gz GVJLZJVGWGJPHT-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(=O)[nH]1 ZINC001174475240 976790332 /nfs/dbraw/zinc/79/03/32/976790332.db2.gz FXWRJKVJAMFPLZ-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1cc(Nc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC001174475525 976791463 /nfs/dbraw/zinc/79/14/63/976791463.db2.gz HXVXQPKYIHQALK-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccno2)cc1 ZINC001174475611 976793987 /nfs/dbraw/zinc/79/39/87/976793987.db2.gz MZLRAAANLFDMSU-UHFFFAOYSA-N 0 0 205.173 2.326 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccc(CO)nc2)cc1 ZINC001174477316 976797541 /nfs/dbraw/zinc/79/75/41/976797541.db2.gz JUEBYDATKGWPHL-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN Nc1cc(F)cnc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174476658 976797780 /nfs/dbraw/zinc/79/77/80/976797780.db2.gz AWERBTRLMAPVMM-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN CC(C)Oc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001229398782 976857410 /nfs/dbraw/zinc/85/74/10/976857410.db2.gz ALOCHOJGRVFJOM-UHFFFAOYSA-N 0 0 233.227 2.325 20 5 BEBDRN CO[C@@H](C)CCOc1cc([N+](=O)[O-])ccc1O ZINC001229395740 976859272 /nfs/dbraw/zinc/85/92/72/976859272.db2.gz KSBFQUBWLNJHLZ-QMMMGPOBSA-N 0 0 241.243 2.104 20 5 BEBDRN Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CCOC1 ZINC001229881621 977014676 /nfs/dbraw/zinc/01/46/76/977014676.db2.gz DSGPQJZNJMANGF-SNVBAGLBSA-N 0 0 237.255 2.379 20 5 BEBDRN Cc1cc(OC[C@H]2CCO2)cc([N+](=O)[O-])c1C ZINC001230471620 977216527 /nfs/dbraw/zinc/21/65/27/977216527.db2.gz MDKNZJOKWSPMAU-SNVBAGLBSA-N 0 0 237.255 2.379 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@H]1CC12CCC2 ZINC001335872517 977340786 /nfs/dbraw/zinc/34/07/86/977340786.db2.gz MRMZRXFUTCEORF-JTQLQIEISA-N 0 0 233.271 2.075 20 5 BEBDRN C[C@H](Oc1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC001231183450 977536499 /nfs/dbraw/zinc/53/64/99/977536499.db2.gz URDISOGBGNHMAE-VIFPVBQESA-N 0 0 247.254 2.468 20 5 BEBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1C[C@H]1F ZINC001336528430 977753798 /nfs/dbraw/zinc/75/37/98/977753798.db2.gz XJZPZRVEZHXLMZ-POYBYMJQSA-N 0 0 242.181 2.030 20 5 BEBDRN CC1=C(C)CN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001336623810 977818036 /nfs/dbraw/zinc/81/80/36/977818036.db2.gz YREHPPLTMYFKNS-UHFFFAOYSA-N 0 0 248.286 2.119 20 5 BEBDRN COc1ccc(Nc2cnoc2)cc1[N+](=O)[O-] ZINC001176360579 978047387 /nfs/dbraw/zinc/04/73/87/978047387.db2.gz RZEFBQJOXVBOGL-UHFFFAOYSA-N 0 0 235.199 2.335 20 5 BEBDRN COc1ccc(Nc2ccn(C)n2)cc1[N+](=O)[O-] ZINC001176360062 978048107 /nfs/dbraw/zinc/04/81/07/978048107.db2.gz QZQRMMLMIBWWEW-UHFFFAOYSA-N 0 0 248.242 2.081 20 5 BEBDRN COc1ccc(Nc2cccnn2)cc1[N+](=O)[O-] ZINC001176360080 978050078 /nfs/dbraw/zinc/05/00/78/978050078.db2.gz RYZJUQCNTKJQJO-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN C[C@@H](NCC[N+](=O)[O-])c1cc2ccccc2o1 ZINC001337776653 978493570 /nfs/dbraw/zinc/49/35/70/978493570.db2.gz BNDHLEPSZCHQJE-SECBINFHSA-N 0 0 234.255 2.360 20 5 BEBDRN C[C@H]1CCC[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001337850665 978527145 /nfs/dbraw/zinc/52/71/45/978527145.db2.gz CJGIRGRXCNDTQE-IONNQARKSA-N 0 0 236.275 2.173 20 5 BEBDRN Nc1cc(N[C@H]2CCCC23CC3)ncc1[N+](=O)[O-] ZINC001337934924 978568866 /nfs/dbraw/zinc/56/88/66/978568866.db2.gz DUCPUPZEJTZMNB-JTQLQIEISA-N 0 0 248.286 2.317 20 5 BEBDRN CSCCCNc1cc([N+](=O)[O-])ccn1 ZINC000069012704 978688639 /nfs/dbraw/zinc/68/86/39/978688639.db2.gz CBFRFDDIVKZVGH-UHFFFAOYSA-N 0 0 227.289 2.155 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@H]2CCO2)c(F)c1F ZINC001233765730 978693237 /nfs/dbraw/zinc/69/32/37/978693237.db2.gz YCNZJTWRRULSEJ-ZCFIWIBFSA-N 0 0 245.181 2.041 20 5 BEBDRN CC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(F)c1F ZINC001233764468 978693400 /nfs/dbraw/zinc/69/34/00/978693400.db2.gz GBIDNFYMZLTCNM-LURJTMIESA-N 0 0 245.181 2.229 20 5 BEBDRN C[C@H](Oc1ccnc([N+](=O)[O-])c1)C1CC1 ZINC001233854105 978712498 /nfs/dbraw/zinc/71/24/98/978712498.db2.gz BPCGOKFBVXNLIJ-ZETCQYMHSA-N 0 0 208.217 2.167 20 5 BEBDRN CCCOC[C@H](C)Oc1ccnc([N+](=O)[O-])c1 ZINC001233858104 978715735 /nfs/dbraw/zinc/71/57/35/978715735.db2.gz SNMWNQZUGHKEGY-VIFPVBQESA-N 0 0 240.259 2.184 20 5 BEBDRN Cc1cc(NC(=O)[C@H]2C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001339248479 978825730 /nfs/dbraw/zinc/82/57/30/978825730.db2.gz JWDBTLGNUWLYCW-KWQFWETISA-N 0 0 234.255 2.498 20 5 BEBDRN Cc1nccc([N+](=O)[O-])c1OCCOC(C)C ZINC001234900879 978927121 /nfs/dbraw/zinc/92/71/21/978927121.db2.gz MGWGDUBQVSKJLC-UHFFFAOYSA-N 0 0 240.259 2.102 20 5 BEBDRN CC(C)c1nnc(-c2ccc([N+](=O)[O-])cn2)o1 ZINC001341329158 979333832 /nfs/dbraw/zinc/33/38/32/979333832.db2.gz KCEUMQGCZBXKSS-UHFFFAOYSA-N 0 0 234.215 2.163 20 5 BEBDRN C[C@H]1CC[C@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC001341883375 979586261 /nfs/dbraw/zinc/58/62/61/979586261.db2.gz TUKFYIWIKLZFMZ-DTWKUNHWSA-N 0 0 246.270 2.453 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccc(F)nc2)cn1 ZINC001203561606 979778256 /nfs/dbraw/zinc/77/82/56/979778256.db2.gz YPGJBUFWHXNQIT-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN Nc1ccc(F)c(Nc2ccc([N+](=O)[O-])nc2)c1 ZINC001203575930 979876035 /nfs/dbraw/zinc/87/60/35/979876035.db2.gz LGLFSABIYLLRGB-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN Cc1cc(COC(=O)CCF)ccc1[N+](=O)[O-] ZINC001342730799 979880619 /nfs/dbraw/zinc/88/06/19/979880619.db2.gz UNSCBEOIKSLKHF-UHFFFAOYSA-N 0 0 241.218 2.306 20 5 BEBDRN CCC[C@H](CC)C(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001344403866 980390445 /nfs/dbraw/zinc/39/04/45/980390445.db2.gz PRNRZAVIUPCRPW-VHSXEESVSA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)C1CCC1 ZINC001344401130 980387108 /nfs/dbraw/zinc/38/71/08/980387108.db2.gz BNWUGDWIXQGPHZ-WPRPVWTQSA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)/C=C/C1CCCC1 ZINC001344401138 980388000 /nfs/dbraw/zinc/38/80/00/980388000.db2.gz BRSZTZNLMABPCQ-WSKFYRRCSA-N 0 0 241.287 2.331 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(N[C@@H]2CCC[C@H](F)C2)n1 ZINC001186821750 980447265 /nfs/dbraw/zinc/44/72/65/980447265.db2.gz MLVRCZHMVGELNC-JGVFFNPUSA-N 0 0 242.254 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@]1(C)CCC[C@H]1C ZINC001346198188 980781652 /nfs/dbraw/zinc/78/16/52/980781652.db2.gz SRCNLHCKCPRYSR-CKYFFXLPSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NC(C)(C)CCO ZINC000157223225 980855974 /nfs/dbraw/zinc/85/59/74/980855974.db2.gz XVOCCHGYDRTRFP-UHFFFAOYSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cc(NC(=O)C(C)(F)F)cc([N+](=O)[O-])c1 ZINC001347660893 981140227 /nfs/dbraw/zinc/14/02/27/981140227.db2.gz PLUHBLNSTVBVGQ-UHFFFAOYSA-N 0 0 244.197 2.497 20 5 BEBDRN C=C/C=C\CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC001583687722 981832080 /nfs/dbraw/zinc/83/20/80/981832080.db2.gz LLBTYCCFSIUXLI-ARJAWSKDSA-N 0 0 246.266 2.457 20 5 BEBDRN CC(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC001584621830 981880386 /nfs/dbraw/zinc/88/03/86/981880386.db2.gz LJXNYJSUDDPXKY-UHFFFAOYSA-N 0 0 231.211 2.101 20 5 BEBDRN O=C(NC/C=C/Cl)c1csc([N+](=O)[O-])c1 ZINC001585947873 981958962 /nfs/dbraw/zinc/95/89/62/981958962.db2.gz QLGUCRZQCODFBC-OWOJBTEDSA-N 0 0 246.675 2.139 20 5 BEBDRN Cc1cnc(Nc2cc(O)cc([N+](=O)[O-])c2)o1 ZINC001199802472 983020515 /nfs/dbraw/zinc/02/05/15/983020515.db2.gz QVNBPBXUTNXXEW-UHFFFAOYSA-N 0 0 235.199 2.340 20 5 BEBDRN Cc1cc(Nc2cc(O)cc([N+](=O)[O-])c2)n(C)n1 ZINC001199801243 983021087 /nfs/dbraw/zinc/02/10/87/983021087.db2.gz CFEQJDZMIXJTBO-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN O=c1ccc(Nc2cc(O)cc([N+](=O)[O-])c2)c[nH]1 ZINC001199802827 983021482 /nfs/dbraw/zinc/02/14/82/983021482.db2.gz ZNJGBHBYTZVZBD-UHFFFAOYSA-N 0 0 247.210 2.145 20 5 BEBDRN Cc1cncc(Nc2cc(O)cc([N+](=O)[O-])c2)n1 ZINC001199801707 983022425 /nfs/dbraw/zinc/02/24/25/983022425.db2.gz HKRWSUYDUXEGDH-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN C/C=C\C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001353883886 983047844 /nfs/dbraw/zinc/04/78/44/983047844.db2.gz NYUCBNMKSXJSIA-IHWYPQMZSA-N 0 0 246.266 2.056 20 5 BEBDRN C/C=C/C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001353883887 983050153 /nfs/dbraw/zinc/05/01/53/983050153.db2.gz NYUCBNMKSXJSIA-NSCUHMNNSA-N 0 0 246.266 2.056 20 5 BEBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1C[C@@H]1F ZINC001354121487 983164447 /nfs/dbraw/zinc/16/44/47/983164447.db2.gz YNINEVAWKQKVOE-SVRRBLITSA-N 0 0 242.181 2.030 20 5 BEBDRN Cc1nocc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001437295449 984353974 /nfs/dbraw/zinc/35/39/74/984353974.db2.gz VNQRSJJLXHDWOR-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN CCC(=O)COc1ccsc1[N+](=O)[O-] ZINC001459090838 985385883 /nfs/dbraw/zinc/38/58/83/985385883.db2.gz VWDJXQCMDCOKAQ-UHFFFAOYSA-N 0 0 215.230 2.014 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2COC[C@H]2C)c1 ZINC000688044439 985518597 /nfs/dbraw/zinc/51/85/97/985518597.db2.gz ADNAGIOEEPLTHY-MWLCHTKSSA-N 0 0 236.271 2.350 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2COC3(CCC3)C2)cn1 ZINC000688314007 985607541 /nfs/dbraw/zinc/60/75/41/985607541.db2.gz HVVWRCMXZINFEB-JTQLQIEISA-N 0 0 249.270 2.113 20 5 BEBDRN C[C@@H]1C[C@@H]1c1nnc(-c2ccc([N+](=O)[O-])o2)o1 ZINC001256616840 987248974 /nfs/dbraw/zinc/24/89/74/987248974.db2.gz JPMKBXRCCSWUFH-RITPCOANSA-N 0 0 235.199 2.361 20 5 BEBDRN C[C@H]1C[C@H]1c1nnc(-c2ccnc([N+](=O)[O-])c2)o1 ZINC001256719047 987279737 /nfs/dbraw/zinc/27/97/37/987279737.db2.gz SRKLTGNFFLVNOT-POYBYMJQSA-N 0 0 246.226 2.163 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CCC[C@H]1C ZINC001117258661 987813386 /nfs/dbraw/zinc/81/33/86/987813386.db2.gz ODFDBNNJUKFPSK-SECBINFHSA-N 0 0 221.260 2.287 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@H]1CCC[C@H](F)C1 ZINC001118124754 988023006 /nfs/dbraw/zinc/02/30/06/988023006.db2.gz JCIHWUNIQQAHBP-IUCAKERBSA-N 0 0 239.250 2.104 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC=CCC1 ZINC001322485181 988295825 /nfs/dbraw/zinc/29/58/25/988295825.db2.gz DKNDNSCABJVNML-LLVKDONJSA-N 0 0 247.298 2.488 20 5 BEBDRN CON(C(=O)c1csc([N+](=O)[O-])c1)C(C)C ZINC001118678338 988486796 /nfs/dbraw/zinc/48/67/96/988486796.db2.gz ZKRVGNNWOZGKSA-UHFFFAOYSA-N 0 0 244.272 2.068 20 5 BEBDRN Cc1c(C(=O)NC2(C)CC2)cccc1[N+](=O)[O-] ZINC001323490917 988537621 /nfs/dbraw/zinc/53/76/21/988537621.db2.gz HLIOLSXYQQUBJW-UHFFFAOYSA-N 0 0 234.255 2.186 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NCC1(C)CCC1 ZINC001324326913 988800080 /nfs/dbraw/zinc/80/00/80/988800080.db2.gz GSZBIOPROHVXMT-UHFFFAOYSA-N 0 0 235.287 2.322 20 5 BEBDRN CC(C)=CCCNc1c(C)cncc1[N+](=O)[O-] ZINC001324354590 988812619 /nfs/dbraw/zinc/81/26/19/988812619.db2.gz JINZMDADFUBWTE-UHFFFAOYSA-N 0 0 235.287 2.488 20 5 BEBDRN CC(C)(CCC(=O)N[C@@H]1C=CCCC1)[N+](=O)[O-] ZINC001324414192 988831653 /nfs/dbraw/zinc/83/16/53/988831653.db2.gz UTKDTNAEOFEVLC-SNVBAGLBSA-N 0 0 240.303 2.047 20 5 BEBDRN Cc1ccc(NC(=O)C2CCC2)c(N)c1[N+](=O)[O-] ZINC001514677384 988924034 /nfs/dbraw/zinc/92/40/34/988924034.db2.gz UAVRFJJZYIZXIW-UHFFFAOYSA-N 0 0 249.270 2.224 20 5 BEBDRN C[C@@H](O)C(C)(C)CNc1ccsc1[N+](=O)[O-] ZINC001516126169 989140282 /nfs/dbraw/zinc/14/02/82/989140282.db2.gz JZGSPOHTQUZVIU-SSDOTTSWSA-N 0 0 244.316 2.475 20 5 BEBDRN Cc1cc(N2CC(F)(F)C2)c([N+](=O)[O-])s1 ZINC001516802131 989174194 /nfs/dbraw/zinc/17/41/94/989174194.db2.gz CKHMZCDMCIQBHS-UHFFFAOYSA-N 0 0 234.227 2.420 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001517191492 989207312 /nfs/dbraw/zinc/20/73/12/989207312.db2.gz CNNHQQFEXUTVDE-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CCCC(C)C ZINC001517178838 989209735 /nfs/dbraw/zinc/20/97/35/989209735.db2.gz JCYQQQXNRGJHCY-SNVBAGLBSA-N 0 0 231.292 2.411 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1cnoc1 ZINC001249544144 989298604 /nfs/dbraw/zinc/29/86/04/989298604.db2.gz GCGRFWWHEPYXEJ-UHFFFAOYSA-N 0 0 220.188 2.030 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1cnsc1 ZINC001249544952 989303750 /nfs/dbraw/zinc/30/37/50/989303750.db2.gz NXOLDWIDBZLPDU-UHFFFAOYSA-N 0 0 236.256 2.498 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC1(C)C ZINC001520099582 989507969 /nfs/dbraw/zinc/50/79/69/989507969.db2.gz RUIHVYWPQZGBOF-VHSXEESVSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N(C)CC(C)C ZINC001326375527 989526431 /nfs/dbraw/zinc/52/64/31/989526431.db2.gz BXCJJRLKEWYHHF-UHFFFAOYSA-N 0 0 223.276 2.390 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCCC(F)F)nc1 ZINC001119974108 989527807 /nfs/dbraw/zinc/52/78/07/989527807.db2.gz OIKDVVMKPPEQSR-UHFFFAOYSA-N 0 0 231.202 2.447 20 5 BEBDRN Cc1nc(N[C@@H]2C[C@H]3CCC[C@H]32)ncc1[N+](=O)[O-] ZINC001119984560 989541642 /nfs/dbraw/zinc/54/16/42/989541642.db2.gz WHCCIMCQKLXZAL-OPRDCNLKSA-N 0 0 248.286 2.294 20 5 BEBDRN Cc1nnc([C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC001326998423 989799007 /nfs/dbraw/zinc/79/90/07/989799007.db2.gz ANNJRGNWBWDRCR-ZETCQYMHSA-N 0 0 233.227 2.438 20 5 BEBDRN Cc1cc(NC(=O)C2=COCC2)cc([N+](=O)[O-])c1 ZINC001522827743 989880004 /nfs/dbraw/zinc/88/00/04/989880004.db2.gz WCKIXIHUGAQWNR-UHFFFAOYSA-N 0 0 248.238 2.146 20 5 BEBDRN Cc1cc(NC(=O)[C@H]2C[C@H]2F)ccc1[N+](=O)[O-] ZINC001121088877 990009566 /nfs/dbraw/zinc/00/95/66/990009566.db2.gz TVNNWVZRFJIDOS-DTWKUNHWSA-N 0 0 238.218 2.200 20 5 BEBDRN CCCC[C@@H](C)C(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001526648317 990163316 /nfs/dbraw/zinc/16/33/16/990163316.db2.gz FFPOTQVREVMFAX-NXEZZACHSA-N 0 0 231.292 2.411 20 5 BEBDRN CCCC[C@H](C)C(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001526648319 990164790 /nfs/dbraw/zinc/16/47/90/990164790.db2.gz FFPOTQVREVMFAX-VHSXEESVSA-N 0 0 231.292 2.411 20 5 BEBDRN CC(=O)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001531542052 990393565 /nfs/dbraw/zinc/39/35/65/990393565.db2.gz QRYIRNSURPSMNF-UHFFFAOYSA-N 0 0 231.211 2.101 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C)CC(C)C ZINC001123355553 990547019 /nfs/dbraw/zinc/54/70/19/990547019.db2.gz RYJNSUPXBCAVEJ-ZJUUUORDSA-N 0 0 231.292 2.267 20 5 BEBDRN CCC/C(C)=C\C(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001123355766 990558605 /nfs/dbraw/zinc/55/86/05/990558605.db2.gz VNPXFBOWCDSOEJ-UJICNMFASA-N 0 0 229.276 2.331 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[C@H]1CC ZINC001123355255 990559738 /nfs/dbraw/zinc/55/97/38/990559738.db2.gz NWOBOEGOSZGDQK-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1conc1C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC001124599375 990795000 /nfs/dbraw/zinc/79/50/00/990795000.db2.gz WAWXQMRBHXIHBA-UHFFFAOYSA-N 0 0 248.194 2.110 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1NC/C=C\Cl ZINC001559297038 991065890 /nfs/dbraw/zinc/06/58/90/991065890.db2.gz OULHSBVYGHIEEF-UPHRSURJSA-N 0 0 248.069 2.230 20 5 BEBDRN Cc1ccccc1Cn1ccnc1[N+](=O)[O-] ZINC001559453533 991109351 /nfs/dbraw/zinc/10/93/51/991109351.db2.gz JDRPUJCOWVFYAA-UHFFFAOYSA-N 0 0 217.228 2.148 20 5 BEBDRN Cc1nc([C@H](C)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC001320601412 992270545 /nfs/dbraw/zinc/27/05/45/992270545.db2.gz AUJMAYPFCLGHDR-ZETCQYMHSA-N 0 0 248.242 2.459 20 5 BEBDRN CCc1nnc(-c2cccc([N+](=O)[O-])c2OC)o1 ZINC001261571993 992392508 /nfs/dbraw/zinc/39/25/08/992392508.db2.gz VMVUNYHDMZZWBS-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CCC(F)CC1 ZINC001262030886 992617844 /nfs/dbraw/zinc/61/78/44/992617844.db2.gz ZEFZUCTWWAMCRU-UHFFFAOYSA-N 0 0 239.250 2.237 20 5 BEBDRN C/C=C\C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001262199997 992792663 /nfs/dbraw/zinc/79/26/63/992792663.db2.gz HSPFMYXVKGYNJX-TYRPZCRBSA-N 0 0 234.255 2.348 20 5 BEBDRN O=c1[nH]ccc(NCCCC(F)F)c1[N+](=O)[O-] ZINC001262373319 992867463 /nfs/dbraw/zinc/86/74/63/992867463.db2.gz TVGBXEKEBXZSRU-UHFFFAOYSA-N 0 0 247.201 2.153 20 5 BEBDRN C[C@@H]1CC=CC[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001262708915 993049848 /nfs/dbraw/zinc/04/98/48/993049848.db2.gz SNMIMXIVNGDHPU-PSASIEDQSA-N 0 0 248.286 2.339 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1NCCC(F)F ZINC001262725922 993055644 /nfs/dbraw/zinc/05/56/44/993055644.db2.gz PPUIXQUDMPKKNP-UHFFFAOYSA-N 0 0 235.165 2.196 20 5 BEBDRN O=C(OC1CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001263470672 993327900 /nfs/dbraw/zinc/32/79/00/993327900.db2.gz IVBCGDJTDDJELW-RYUDHWBXSA-N 0 0 247.250 2.404 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001263623773 993429332 /nfs/dbraw/zinc/42/93/32/993429332.db2.gz ZFIRUOIEAONJEY-DBIOUOCHSA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)/C=C\c1ccccc1 ZINC001263623607 993429896 /nfs/dbraw/zinc/42/98/96/993429896.db2.gz VNNNPQDETKPXBT-JLVNDZCYSA-N 0 0 249.266 2.298 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C(C)(C)C(C)C ZINC001263623335 993430292 /nfs/dbraw/zinc/43/02/92/993430292.db2.gz OARVNCIYEJXKJF-VIFPVBQESA-N 0 0 231.292 2.267 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccoc1Cl ZINC001263622928 993430638 /nfs/dbraw/zinc/43/06/38/993430638.db2.gz DEGSNNNWLVTBPF-ZCFIWIBFSA-N 0 0 247.634 2.145 20 5 BEBDRN CCC(CC)CC(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001303573475 995162781 /nfs/dbraw/zinc/16/27/81/995162781.db2.gz OTNTWMCUNSCYOH-UHFFFAOYSA-N 0 0 240.263 2.083 20 5 BEBDRN O=[N+]([O-])c1cnc(SCc2ccccn2)nc1 ZINC001612656836 1170461990 /nfs/dbraw/zinc/46/19/90/1170461990.db2.gz PYWNLYDHNDUGBQ-UHFFFAOYSA-N 0 0 248.267 2.072 20 5 BEBDRN CC(=O)[C@H](C)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000037974461 1170996654 /nfs/dbraw/zinc/99/66/54/1170996654.db2.gz RLSRQEXLXXLAEU-ZETCQYMHSA-N 0 0 227.191 2.090 20 5 BEBDRN CCC[C@@H](CC)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001634603630 1171666951 /nfs/dbraw/zinc/66/69/51/1171666951.db2.gz BRQXHNZXDUQHME-SSDOTTSWSA-N 0 0 240.263 2.083 20 5 BEBDRN CC[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610677890 343975753 /nfs/dbraw/zinc/97/57/53/343975753.db2.gz ACYYWQVMHCDRJM-SECBINFHSA-N 0 0 221.260 2.226 20 5 BEBDRN CC[C@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610677893 343975808 /nfs/dbraw/zinc/97/58/08/343975808.db2.gz ACYYWQVMHCDRJM-VIFPVBQESA-N 0 0 221.260 2.226 20 5 BEBDRN CCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000307519523 398174881 /nfs/dbraw/zinc/17/48/81/398174881.db2.gz NFEOIABKTDZFKG-UHFFFAOYSA-N 0 0 202.597 2.042 20 5 BEBDRN Cc1cc(COc2ccccc2[N+](=O)[O-])on1 ZINC000302815031 178050884 /nfs/dbraw/zinc/05/08/84/178050884.db2.gz YNZSGUYINVPMTF-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN Cc1noc(-c2ccc(F)cc2[N+](=O)[O-])n1 ZINC000161900563 349513472 /nfs/dbraw/zinc/51/34/72/349513472.db2.gz XMLDAQDOZUBNQY-UHFFFAOYSA-N 0 0 223.163 2.092 20 5 BEBDRN Cc1cc(N(C)CCCCO)ccc1[N+](=O)[O-] ZINC000276234649 178098711 /nfs/dbraw/zinc/09/87/11/178098711.db2.gz OGQKKXYVUOKVCW-UHFFFAOYSA-N 0 0 238.287 2.112 20 5 BEBDRN Cc1cc(NC(=O)N[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000153785252 178142057 /nfs/dbraw/zinc/14/20/57/178142057.db2.gz XWEMHXBMNSJPQY-GMSGAONNSA-N 0 0 249.270 2.433 20 5 BEBDRN Cc1cc(NC2CC=CC2)ncc1[N+](=O)[O-] ZINC000131111910 178154836 /nfs/dbraw/zinc/15/48/36/178154836.db2.gz BEDLJBYPAYZRQH-UHFFFAOYSA-N 0 0 219.244 2.429 20 5 BEBDRN Cc1cc(NCC2(C)COC2)ccc1[N+](=O)[O-] ZINC000226485770 178156733 /nfs/dbraw/zinc/15/67/33/178156733.db2.gz VPSSXTWSVVTKDO-UHFFFAOYSA-N 0 0 236.271 2.352 20 5 BEBDRN Cc1cc(NCC(C)(C)O)c(F)cc1[N+](=O)[O-] ZINC000292576323 178157143 /nfs/dbraw/zinc/15/71/43/178157143.db2.gz KQGXOSJXWNYJOA-UHFFFAOYSA-N 0 0 242.250 2.225 20 5 BEBDRN Cc1cc(NCCCCF)ncc1[N+](=O)[O-] ZINC000309241092 178159277 /nfs/dbraw/zinc/15/92/77/178159277.db2.gz KTKGCVJZPVKYPY-UHFFFAOYSA-N 0 0 227.239 2.460 20 5 BEBDRN C[C@@H]1[C@H](C)CN(c2ccc([N+](=O)[O-])cn2)[C@H]1C ZINC000576331614 365567909 /nfs/dbraw/zinc/56/79/09/365567909.db2.gz MHGXQEDJTSGTFW-BBBLOLIVSA-N 0 0 235.287 2.471 20 5 BEBDRN Cc1cc(NC[C@H]2C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000128758391 178170650 /nfs/dbraw/zinc/17/06/50/178170650.db2.gz NTLKDSATCGZMAA-IONNQARKSA-N 0 0 221.260 2.366 20 5 BEBDRN Cc1cc(NCc2cncn2C)ccc1[N+](=O)[O-] ZINC000090167158 178174563 /nfs/dbraw/zinc/17/45/63/178174563.db2.gz CENJCOREYRTMDZ-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cc(N[C@@]2(C)CCOC2)ccc1[N+](=O)[O-] ZINC000092688783 178184291 /nfs/dbraw/zinc/18/42/91/178184291.db2.gz ZFXAXADIAFKQIU-LBPRGKRZSA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cc(N[C@H](C)c2cn[nH]c2)ncc1[N+](=O)[O-] ZINC000229871221 178187071 /nfs/dbraw/zinc/18/70/71/178187071.db2.gz AKBIBBZXXIEFQQ-MRVPVSSYSA-N 0 0 247.258 2.194 20 5 BEBDRN Cc1cc(O[C@H](C)[C@@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000123649628 178214471 /nfs/dbraw/zinc/21/44/71/178214471.db2.gz YGJAORBQOFTGHU-HTQZYQBOSA-N 0 0 243.234 2.190 20 5 BEBDRN Cc1cc(OCCF)c(F)cc1[N+](=O)[O-] ZINC000340715387 178210781 /nfs/dbraw/zinc/21/07/81/178210781.db2.gz TWAUVVPPHBEQON-UHFFFAOYSA-N 0 0 217.171 2.391 20 5 BEBDRN Cc1cc(OCCC[C@H](C)O)ccc1[N+](=O)[O-] ZINC000336730676 178211548 /nfs/dbraw/zinc/21/15/48/178211548.db2.gz YGFWZLDTBNKYLJ-JTQLQIEISA-N 0 0 239.271 2.443 20 5 BEBDRN Cc1cc(S[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000092658994 178219852 /nfs/dbraw/zinc/21/98/52/178219852.db2.gz DXYTURLMQFZQBL-MRVPVSSYSA-N 0 0 227.285 2.376 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N(C)CC1CC1 ZINC000264459032 178273968 /nfs/dbraw/zinc/27/39/68/178273968.db2.gz JSYHSIVVLHPTKQ-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NCc1ccccn1 ZINC000052812235 178274034 /nfs/dbraw/zinc/27/40/34/178274034.db2.gz XNUKXJSMIMTVGA-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CC12CC2 ZINC000421432255 192338109 /nfs/dbraw/zinc/33/81/09/192338109.db2.gz KYBUDAQAEUOIDB-JTQLQIEISA-N 0 0 246.266 2.011 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NCC1CC1 ZINC000052812177 178274583 /nfs/dbraw/zinc/27/45/83/178274583.db2.gz GSYFSHAGMOUSNF-UHFFFAOYSA-N 0 0 207.233 2.120 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC1 ZINC000188593283 178269883 /nfs/dbraw/zinc/26/98/83/178269883.db2.gz CUPINLACNJWCEN-UHFFFAOYSA-N 0 0 249.270 2.496 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1CCC1 ZINC000299681653 178270876 /nfs/dbraw/zinc/27/08/76/178270876.db2.gz WDYHIVDDDCGJTK-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC1 ZINC000264505610 178271582 /nfs/dbraw/zinc/27/15/82/178271582.db2.gz JGKLQUGBZHVRDU-UHFFFAOYSA-N 0 0 234.255 2.186 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCOC1 ZINC000070966573 178272278 /nfs/dbraw/zinc/27/22/78/178272278.db2.gz PNIOBBFRFKAQNR-SECBINFHSA-N 0 0 222.244 2.104 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)[C@H](C)CO ZINC000158677972 178272835 /nfs/dbraw/zinc/27/28/35/178272835.db2.gz KSIVWTUEPOWALX-NXEZZACHSA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCCC[C@H](C)O ZINC000310541077 178273228 /nfs/dbraw/zinc/27/32/28/178273228.db2.gz STNWZTVAATXDBK-JTQLQIEISA-N 0 0 239.271 2.443 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)CCO ZINC000080645798 178273249 /nfs/dbraw/zinc/27/32/49/178273249.db2.gz IIHBOJZVNAYHOK-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCCc1cn[nH]c1 ZINC000290946462 178273263 /nfs/dbraw/zinc/27/32/63/178273263.db2.gz CHDZQTXXSJOWMW-UHFFFAOYSA-N 0 0 246.270 2.281 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CCSC1 ZINC000078500242 178275312 /nfs/dbraw/zinc/27/53/12/178275312.db2.gz ZLSQFAOSLRICEO-QMMMGPOBSA-N 0 0 239.300 2.216 20 5 BEBDRN CCC(CC)CNc1c([N+](=O)[O-])ncn1C ZINC000122613056 168364527 /nfs/dbraw/zinc/36/45/27/168364527.db2.gz WPGKDCXJOUZWBA-UHFFFAOYSA-N 0 0 226.280 2.176 20 5 BEBDRN C[C@@H](O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000087138663 398254983 /nfs/dbraw/zinc/25/49/83/398254983.db2.gz BUDKBEDGXPOXPT-RNFRBKRXSA-N 0 0 245.662 2.396 20 5 BEBDRN CC(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000447066168 201705888 /nfs/dbraw/zinc/70/58/88/201705888.db2.gz DZJQHFJFNFOECA-SNVBAGLBSA-N 0 0 235.287 2.472 20 5 BEBDRN O=C(CC1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000298357031 398270780 /nfs/dbraw/zinc/27/07/80/398270780.db2.gz QNAWCJBBWXLPRQ-UHFFFAOYSA-N 0 0 246.266 2.284 20 5 BEBDRN CC1(CNc2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000401108505 398289486 /nfs/dbraw/zinc/28/94/86/398289486.db2.gz SJLAROVQMKKSME-UHFFFAOYSA-N 0 0 225.223 2.341 20 5 BEBDRN CC(C)CCN(C)c1ccncc1[N+](=O)[O-] ZINC000066809987 342807086 /nfs/dbraw/zinc/80/70/86/342807086.db2.gz DMICBUZCYQNELK-UHFFFAOYSA-N 0 0 223.276 2.472 20 5 BEBDRN Cc1noc(C)c1CNc1cccnc1[N+](=O)[O-] ZINC000134403387 342826077 /nfs/dbraw/zinc/82/60/77/342826077.db2.gz IGOHMOAIVTWSFV-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN C[C@@H](CO)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000077227979 398307497 /nfs/dbraw/zinc/30/74/97/398307497.db2.gz BMELPPIUERPGHW-DTWKUNHWSA-N 0 0 224.260 2.024 20 5 BEBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])s2)CCCO1 ZINC000608974399 342856331 /nfs/dbraw/zinc/85/63/31/342856331.db2.gz ZOWNXTSHOHKCKK-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN Cc1cn(CC[C@H]2CCCCO2)nc1[N+](=O)[O-] ZINC000330430668 398315671 /nfs/dbraw/zinc/31/56/71/398315671.db2.gz ZPCDKOVQVBKRQC-SNVBAGLBSA-N 0 0 239.275 2.059 20 5 BEBDRN Cc1cn(CCSC(C)C)nc1[N+](=O)[O-] ZINC000282184717 398316838 /nfs/dbraw/zinc/31/68/38/398316838.db2.gz GPCUNPUNKYLIAG-UHFFFAOYSA-N 0 0 229.305 2.241 20 5 BEBDRN CCCCN(C)c1ncccc1[N+](=O)[O-] ZINC000057366772 398320305 /nfs/dbraw/zinc/32/03/05/398320305.db2.gz OCDDGKBRASHDHV-UHFFFAOYSA-N 0 0 209.249 2.226 20 5 BEBDRN C[C@@H](NCc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000231043665 398322072 /nfs/dbraw/zinc/32/20/72/398322072.db2.gz SQYXKABVFNKTTQ-SECBINFHSA-N 0 0 246.270 2.169 20 5 BEBDRN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)CO1 ZINC000401974814 259329242 /nfs/dbraw/zinc/32/92/42/259329242.db2.gz RYNXXUJZMWZDGU-HTQZYQBOSA-N 0 0 240.234 2.323 20 5 BEBDRN CCCC(=O)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000289405170 398333621 /nfs/dbraw/zinc/33/36/21/398333621.db2.gz TYDXLKMOFBXJTF-UHFFFAOYSA-N 0 0 241.218 2.482 20 5 BEBDRN CC[C@@H](C)[C@@H](C)Nc1ncc([N+](=O)[O-])cn1 ZINC000042556881 362008463 /nfs/dbraw/zinc/00/84/63/362008463.db2.gz WMCVVJKQZLLVHN-HTQZYQBOSA-N 0 0 224.264 2.231 20 5 BEBDRN CC(=O)CCCSc1ncccc1[N+](=O)[O-] ZINC000120450731 259351926 /nfs/dbraw/zinc/35/19/26/259351926.db2.gz PBCSREGTSRGQCH-UHFFFAOYSA-N 0 0 240.284 2.451 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2=CCCOC2)s1 ZINC000310014226 343178528 /nfs/dbraw/zinc/17/85/28/343178528.db2.gz KDMMLHALQREUCD-UHFFFAOYSA-N 0 0 240.284 2.415 20 5 BEBDRN CC[C@@H](C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000421582705 192357535 /nfs/dbraw/zinc/35/75/35/192357535.db2.gz VGIJQBJKUJDDRQ-SECBINFHSA-N 0 0 236.271 2.371 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(Cn2ccnc2)c(F)c1 ZINC000335776444 344029218 /nfs/dbraw/zinc/02/92/18/344029218.db2.gz KEIJONWEFLRGHW-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN CC[C@H](O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000037696427 343351831 /nfs/dbraw/zinc/35/18/31/343351831.db2.gz ZYTGFCARRGKIRR-VIFPVBQESA-N 0 0 225.244 2.053 20 5 BEBDRN Cc1noc(-c2cccc([N+](=O)[O-])c2C)n1 ZINC000113743311 136321742 /nfs/dbraw/zinc/32/17/42/136321742.db2.gz JWOPLBUPGBRPOX-UHFFFAOYSA-N 0 0 219.200 2.262 20 5 BEBDRN Cc1cnn(C)c1/C=C/c1ccc([N+](=O)[O-])cn1 ZINC000349106984 136323252 /nfs/dbraw/zinc/32/32/52/136323252.db2.gz IYXZOWHLPBGGQI-GQCTYLIASA-N 0 0 244.254 2.202 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(C)C1 ZINC000335687468 136323779 /nfs/dbraw/zinc/32/37/79/136323779.db2.gz OGJCIIZIIZWOOS-UHFFFAOYSA-N 0 0 249.270 2.387 20 5 BEBDRN Cc1ccn([C@H]2C=CCCC2)c(=O)c1[N+](=O)[O-] ZINC000335689280 136324123 /nfs/dbraw/zinc/32/41/23/136324123.db2.gz LDSYMPIDVNZBOL-JTQLQIEISA-N 0 0 234.255 2.346 20 5 BEBDRN C[C@H]1CCC[C@@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310282554 343408928 /nfs/dbraw/zinc/40/89/28/343408928.db2.gz WRZCZKWBWUEHMS-CBAPKCEASA-N 0 0 236.275 2.173 20 5 BEBDRN CCCCN(CC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000041781810 343423675 /nfs/dbraw/zinc/42/36/75/343423675.db2.gz APTUXQWZHBEEPJ-UHFFFAOYSA-N 0 0 240.259 2.450 20 5 BEBDRN COc1ccc(C)cc1Cn1nccc1[N+](=O)[O-] ZINC000048706055 343421289 /nfs/dbraw/zinc/42/12/89/343421289.db2.gz LEIHHXAUFASMDJ-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN CC[C@H](C)[C@@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310444420 343497809 /nfs/dbraw/zinc/49/78/09/343497809.db2.gz UAUQEVQRVVTIKH-JGVFFNPUSA-N 0 0 238.291 2.419 20 5 BEBDRN CC(C)CN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000044487997 343502980 /nfs/dbraw/zinc/50/29/80/343502980.db2.gz FSGAUCBZTQVIEU-UHFFFAOYSA-N 0 0 242.300 2.384 20 5 BEBDRN C[C@H]1C[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000047098273 343557711 /nfs/dbraw/zinc/55/77/11/343557711.db2.gz CHDNGJHLRJGZRV-DTWKUNHWSA-N 0 0 249.270 2.372 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H]1C ZINC000049378140 343596969 /nfs/dbraw/zinc/59/69/69/343596969.db2.gz OLXBYDMXQQOKJE-VHSXEESVSA-N 0 0 248.282 2.289 20 5 BEBDRN C[C@@H](Cn1ccnc1)Nc1ccccc1[N+](=O)[O-] ZINC000049235889 343594326 /nfs/dbraw/zinc/59/43/26/343594326.db2.gz CQHCLIHVZJVVAE-JTQLQIEISA-N 0 0 246.270 2.292 20 5 BEBDRN COC(C)(C)CNc1ccc([N+](=O)[O-])s1 ZINC000309068344 349826349 /nfs/dbraw/zinc/82/63/49/349826349.db2.gz AMVVQXKZOXIIDA-UHFFFAOYSA-N 0 0 230.289 2.493 20 5 BEBDRN Cc1ccc(C(=O)N(C)CC2CC2)cc1[N+](=O)[O-] ZINC000047904627 343632677 /nfs/dbraw/zinc/63/26/77/343632677.db2.gz YCOHNMKVOYLPQX-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1cc(C)cc(Cn2ncc([N+](=O)[O-])c2N)c1 ZINC000043670145 343697318 /nfs/dbraw/zinc/69/73/18/343697318.db2.gz IFUBBIZQAWDAGO-UHFFFAOYSA-N 0 0 246.270 2.039 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1SC1CCCC1 ZINC000058304005 343699586 /nfs/dbraw/zinc/69/95/86/343699586.db2.gz YMYUSGMNRYBCMP-UHFFFAOYSA-N 0 0 227.289 2.363 20 5 BEBDRN CCCN(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000063603110 343752941 /nfs/dbraw/zinc/75/29/41/343752941.db2.gz ICEMVBJLRNUAAQ-UHFFFAOYSA-N 0 0 228.273 2.138 20 5 BEBDRN O=[N+]([O-])c1cccc(S[C@H]2CCOC2)c1 ZINC000334215558 343839298 /nfs/dbraw/zinc/83/92/98/343839298.db2.gz QZLYFLOLXAZWSS-JTQLQIEISA-N 0 0 225.269 2.476 20 5 BEBDRN Cn1c(C(=O)Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000334255947 343850247 /nfs/dbraw/zinc/85/02/47/343850247.db2.gz OPABNOOJKLBCKY-UHFFFAOYSA-N 0 0 245.238 2.186 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCc1nccs1 ZINC000156942833 343878266 /nfs/dbraw/zinc/87/82/66/343878266.db2.gz LRMWISSCTMZVBP-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN COCCCN(C)c1ccc([N+](=O)[O-])cc1F ZINC000066371988 343868277 /nfs/dbraw/zinc/86/82/77/343868277.db2.gz FHAOSUWOUMRSIV-UHFFFAOYSA-N 0 0 242.250 2.207 20 5 BEBDRN CCC1(C)CN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000334605066 343894133 /nfs/dbraw/zinc/89/41/33/343894133.db2.gz UAFBLHLNGVNWOI-UHFFFAOYSA-N 0 0 248.282 2.467 20 5 BEBDRN CCC1CN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000335124892 343927367 /nfs/dbraw/zinc/92/73/67/343927367.db2.gz QXKPKCMLLHUKDK-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN CCC1CN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000335112211 343928480 /nfs/dbraw/zinc/92/84/80/343928480.db2.gz GAIKRYUZTLRJMK-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC12CC2 ZINC000335142281 343955301 /nfs/dbraw/zinc/95/53/01/343955301.db2.gz MSFXNUUPOZWAEN-LLVKDONJSA-N 0 0 246.266 2.186 20 5 BEBDRN Cc1c(OCc2ccno2)cccc1[N+](=O)[O-] ZINC000078383827 344096333 /nfs/dbraw/zinc/09/63/33/344096333.db2.gz TVTHWBHBADYNBL-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN C[C@@H]1OCCN(c2ccc([N+](=O)[O-])s2)[C@H]1C ZINC000610808196 344155241 /nfs/dbraw/zinc/15/52/41/344155241.db2.gz WGLYZIUQGCFZIF-YUMQZZPRSA-N 0 0 242.300 2.270 20 5 BEBDRN C[C@@H]1CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000610928828 344183045 /nfs/dbraw/zinc/18/30/45/344183045.db2.gz PNFQLMVTUWETPO-ZCFIWIBFSA-N 0 0 227.651 2.242 20 5 BEBDRN C[C@H]1C[C@@H]1COc1cccnc1[N+](=O)[O-] ZINC000600512018 344250992 /nfs/dbraw/zinc/25/09/92/344250992.db2.gz WMTXDBQEQRCBKT-JGVFFNPUSA-N 0 0 208.217 2.025 20 5 BEBDRN C[C@]1(O)CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000611228059 344332582 /nfs/dbraw/zinc/33/25/82/344332582.db2.gz PWQDEXGWXIPFKP-JTQLQIEISA-N 0 0 242.300 2.008 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000060848076 344397645 /nfs/dbraw/zinc/39/76/45/344397645.db2.gz PIULLECMZDLMDE-KCJUWKMLSA-N 0 0 234.255 2.214 20 5 BEBDRN O=[N+]([O-])c1ccccc1CNCC1(F)CC1 ZINC000381398666 344502824 /nfs/dbraw/zinc/50/28/24/344502824.db2.gz AUALXVJPPZKMMF-UHFFFAOYSA-N 0 0 224.235 2.187 20 5 BEBDRN CC1(C)CN(c2ncc([N+](=O)[O-])cn2)[C@@H]1C1CC1 ZINC000290711751 347054771 /nfs/dbraw/zinc/05/47/71/347054771.db2.gz OLYAOOUWMWYUTM-SNVBAGLBSA-N 0 0 248.286 2.010 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1-n1nc(C)cc1C ZINC000220826245 344595683 /nfs/dbraw/zinc/59/56/83/344595683.db2.gz JWTURNNUQFVWMT-UHFFFAOYSA-N 0 0 247.254 2.406 20 5 BEBDRN CCc1cc(=NCc2cccc([N+](=O)[O-])c2)[nH]o1 ZINC000611480368 344744928 /nfs/dbraw/zinc/74/49/28/344744928.db2.gz WBSHZVUTYFEROR-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1F ZINC000611494458 344745492 /nfs/dbraw/zinc/74/54/92/344745492.db2.gz REUANBBZZZCHBR-WCBMZHEXSA-N 0 0 239.250 2.174 20 5 BEBDRN C[C@H]1CCN(c2ccncc2[N+](=O)[O-])C[C@H]1F ZINC000611494495 344745693 /nfs/dbraw/zinc/74/56/93/344745693.db2.gz RXMLLQILVFTHFO-DTWKUNHWSA-N 0 0 239.250 2.174 20 5 BEBDRN O=[N+]([O-])c1cccc(OCC[N@H+]2CC=CCC2)c1 ZINC000611517418 344748769 /nfs/dbraw/zinc/74/87/69/344748769.db2.gz AGYHLQAAHQOHPB-UHFFFAOYSA-N 0 0 248.282 2.236 20 5 BEBDRN CCN(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000075440881 344771436 /nfs/dbraw/zinc/77/14/36/344771436.db2.gz RUQGUJJWSPOCCU-CMDGGOBGSA-N 0 0 234.255 2.086 20 5 BEBDRN CCN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000075440871 344771546 /nfs/dbraw/zinc/77/15/46/344771546.db2.gz UNEPWQMKEDGVNN-RMKNXTFCSA-N 0 0 234.255 2.086 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]2C)n1 ZINC000611616578 344774839 /nfs/dbraw/zinc/77/48/39/344774839.db2.gz CSDOFEDQSJAMJL-SECBINFHSA-N 0 0 221.260 2.205 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@@H](O)c1ccco1 ZINC000075668627 344783951 /nfs/dbraw/zinc/78/39/51/344783951.db2.gz ZXCWWJGLCMHZJO-LLVKDONJSA-N 0 0 248.238 2.333 20 5 BEBDRN CCCN(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611708953 344805491 /nfs/dbraw/zinc/80/54/91/344805491.db2.gz MHWPGCALROKJDU-UHFFFAOYSA-N 0 0 246.270 2.384 20 5 BEBDRN C[C@@H](CNc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000077228970 344819327 /nfs/dbraw/zinc/81/93/27/344819327.db2.gz MDRNGZKJLAPWTC-ZJUUUORDSA-N 0 0 238.287 2.414 20 5 BEBDRN CC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000408473269 344833299 /nfs/dbraw/zinc/83/32/99/344833299.db2.gz ZTTUYQINGNAYHY-UHFFFAOYSA-N 0 0 239.250 2.365 20 5 BEBDRN CC1(C)CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000078561739 344882897 /nfs/dbraw/zinc/88/28/97/344882897.db2.gz NNOUNAIHKBQODX-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN Cc1ccc(N[C@H](C)CCO)c([N+](=O)[O-])c1 ZINC000080645764 178775748 /nfs/dbraw/zinc/77/57/48/178775748.db2.gz HYNILDPKHBNRID-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2nc(C3CCC3)no2)[nH]1 ZINC000612897008 344931198 /nfs/dbraw/zinc/93/11/98/344931198.db2.gz FIILLMVDDGHCMN-UHFFFAOYSA-N 0 0 234.215 2.240 20 5 BEBDRN COC[C@H](Nc1ncc([N+](=O)[O-])s1)C(C)C ZINC000226773903 345042015 /nfs/dbraw/zinc/04/20/15/345042015.db2.gz ASZCBAQBFRWBGA-ZETCQYMHSA-N 0 0 245.304 2.134 20 5 BEBDRN Cc1ccc(S[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000160988734 178829038 /nfs/dbraw/zinc/82/90/38/178829038.db2.gz XIUJOTRWKSWBCF-MRVPVSSYSA-N 0 0 227.285 2.376 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC23CC3)n1 ZINC000425272968 192087292 /nfs/dbraw/zinc/08/72/92/192087292.db2.gz MZIXCMGLTMMRNF-SECBINFHSA-N 0 0 219.244 2.263 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC12CC2 ZINC000425272860 192087056 /nfs/dbraw/zinc/08/70/56/192087056.db2.gz MOKUNTWPSRRWLP-MRVPVSSYSA-N 0 0 236.275 2.084 20 5 BEBDRN Cc1cc(NCC(C)(F)F)ncc1[N+](=O)[O-] ZINC000378683903 345455176 /nfs/dbraw/zinc/45/51/76/345455176.db2.gz ZTFISLQLHXZAAU-UHFFFAOYSA-N 0 0 231.202 2.365 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC(C)C ZINC000070248958 345553765 /nfs/dbraw/zinc/55/37/65/345553765.db2.gz UWXKWQYNAASWOG-UHFFFAOYSA-N 0 0 222.244 2.041 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[C@@H](C)O)c1 ZINC000158865777 345632590 /nfs/dbraw/zinc/63/25/90/345632590.db2.gz CKKJUSFZIGTKEK-VHSXEESVSA-N 0 0 238.287 2.475 20 5 BEBDRN CC(C)(F)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000092825594 345644472 /nfs/dbraw/zinc/64/44/72/345644472.db2.gz ULNXLQZMQFGAMH-UHFFFAOYSA-N 0 0 226.207 2.281 20 5 BEBDRN CCOCCN(C)c1ccc([N+](=O)[O-])cc1C ZINC000092962975 345649102 /nfs/dbraw/zinc/64/91/02/345649102.db2.gz XMHLDSUTMFNVIP-UHFFFAOYSA-N 0 0 238.287 2.376 20 5 BEBDRN CCOCCN(C)c1ccccc1[N+](=O)[O-] ZINC000092963196 345649834 /nfs/dbraw/zinc/64/98/34/345649834.db2.gz NLHBBIKIZRZZMG-UHFFFAOYSA-N 0 0 224.260 2.068 20 5 BEBDRN C[C@H](O)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000147061488 345710343 /nfs/dbraw/zinc/71/03/43/345710343.db2.gz PWVNQVRUZICKBO-VIFPVBQESA-N 0 0 225.244 2.135 20 5 BEBDRN CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000147874732 345718511 /nfs/dbraw/zinc/71/85/11/345718511.db2.gz UPFGZNJXDWSXBD-UHFFFAOYSA-N 0 0 203.201 2.185 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NCC[C@H](C)O ZINC000082997685 345799483 /nfs/dbraw/zinc/79/94/83/345799483.db2.gz WFDPGLZKUWIMQG-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@](C)(O)C1 ZINC000418990969 192091949 /nfs/dbraw/zinc/09/19/49/192091949.db2.gz DCZJSWKXDHXFMS-WVSHTKLVSA-N 0 0 236.271 2.229 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCc1ccn(C)n1 ZINC000271363937 178933471 /nfs/dbraw/zinc/93/34/71/178933471.db2.gz YUUIBVOEDXMQAE-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN O=C(Cc1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000142405850 345869855 /nfs/dbraw/zinc/86/98/55/345869855.db2.gz BBBAJHXNJSURRV-UHFFFAOYSA-N 0 0 248.282 2.150 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCOC2)c1 ZINC000084726572 178931031 /nfs/dbraw/zinc/93/10/31/178931031.db2.gz YCEOBDAAMGMJBT-SNVBAGLBSA-N 0 0 236.271 2.494 20 5 BEBDRN C[C@@H](CNc1cccnc1[N+](=O)[O-])C1CC1 ZINC000136190867 345957029 /nfs/dbraw/zinc/95/70/29/345957029.db2.gz LZLBWKCVYYOLOH-QMMMGPOBSA-N 0 0 221.260 2.448 20 5 BEBDRN COc1cccc(N2CC=CCC2)c1[N+](=O)[O-] ZINC000613890001 345938315 /nfs/dbraw/zinc/93/83/15/345938315.db2.gz QEDDKDLYOVVRCY-UHFFFAOYSA-N 0 0 234.255 2.370 20 5 BEBDRN Cc1cccc(N2CCSCC2)c1[N+](=O)[O-] ZINC000147281522 346011196 /nfs/dbraw/zinc/01/11/96/346011196.db2.gz OWFJHQNWXVORLP-UHFFFAOYSA-N 0 0 238.312 2.456 20 5 BEBDRN CCCCC(=O)COc1cccnc1[N+](=O)[O-] ZINC000601072440 346013267 /nfs/dbraw/zinc/01/32/67/346013267.db2.gz KAOVMNZDZYACPQ-UHFFFAOYSA-N 0 0 238.243 2.128 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1NC1CCCC1 ZINC000401106364 346195826 /nfs/dbraw/zinc/19/58/26/346195826.db2.gz RDTCQHOMMHTQEC-UHFFFAOYSA-N 0 0 225.223 2.483 20 5 BEBDRN Cc1cccc(C(=O)N(C)C2CC2)c1[N+](=O)[O-] ZINC000171116857 179004406 /nfs/dbraw/zinc/00/44/06/179004406.db2.gz CWRRAJGHVUAASF-UHFFFAOYSA-N 0 0 234.255 2.138 20 5 BEBDRN O=[N+]([O-])c1cnc(SCCCO)c(Cl)c1 ZINC000236488815 346245045 /nfs/dbraw/zinc/24/50/45/346245045.db2.gz HOEJJPJKDHTMEO-UHFFFAOYSA-N 0 0 248.691 2.118 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1NCC(F)(F)F ZINC000401191521 346424030 /nfs/dbraw/zinc/42/40/30/346424030.db2.gz SMJVIADSKBUUJG-UHFFFAOYSA-N 0 0 239.128 2.103 20 5 BEBDRN C[C@@H]1SCC[C@H]1Nc1cccnc1[N+](=O)[O-] ZINC000309531963 347094578 /nfs/dbraw/zinc/09/45/78/347094578.db2.gz AALVYMNKPDICCB-JGVFFNPUSA-N 0 0 239.300 2.296 20 5 BEBDRN CCCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000230657280 346650138 /nfs/dbraw/zinc/65/01/38/346650138.db2.gz MEZZOOOCCIIBLN-UHFFFAOYSA-N 0 0 236.271 2.467 20 5 BEBDRN C[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000589112945 346667171 /nfs/dbraw/zinc/66/71/71/346667171.db2.gz MMCBWBFJDZIVPY-SSDOTTSWSA-N 0 0 241.678 2.489 20 5 BEBDRN CO[C@@H](C)CN(C)c1ccc([N+](=O)[O-])s1 ZINC000588082813 346633245 /nfs/dbraw/zinc/63/32/45/346633245.db2.gz PUOGKZUFLBESJM-ZETCQYMHSA-N 0 0 230.289 2.127 20 5 BEBDRN Cc1cccc(N[C@@H]2C=C[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000338680706 179154533 /nfs/dbraw/zinc/15/45/33/179154533.db2.gz NYYMWQLMWYCDDU-GHMZBOCLSA-N 0 0 248.282 2.252 20 5 BEBDRN Cc1cccc(OC[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000124000820 179172300 /nfs/dbraw/zinc/17/23/00/179172300.db2.gz UDRWQQJHSRZXCY-SNVBAGLBSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCc1cnn(C)c1 ZINC000112209145 179206321 /nfs/dbraw/zinc/20/63/21/179206321.db2.gz XTLIYQOXIHEGAT-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NC[C@H](C)CCO ZINC000097635736 179206819 /nfs/dbraw/zinc/20/68/19/179206819.db2.gz HWRCBSNAACPUMQ-SECBINFHSA-N 0 0 238.287 2.334 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N(C)CC[C@@H](C)O ZINC000135258505 179206870 /nfs/dbraw/zinc/20/68/70/179206870.db2.gz LPJFXOOIFKPGRV-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCC[C@@H](C)O ZINC000096592923 179207011 /nfs/dbraw/zinc/20/70/11/179207011.db2.gz ZRAOQLHRSQXMQS-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H](C)CCCO ZINC000149741422 179207141 /nfs/dbraw/zinc/20/71/41/179207141.db2.gz TWRVGYBJWZWIGX-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCC2(CO)CC2)s1 ZINC000590724519 347494769 /nfs/dbraw/zinc/49/47/69/347494769.db2.gz DDAGTZLGIDFCMI-UHFFFAOYSA-N 0 0 242.300 2.231 20 5 BEBDRN CC1(C)COC[C@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000590726887 347496804 /nfs/dbraw/zinc/49/68/04/347496804.db2.gz FJMJMBWSCUCWNF-SSDOTTSWSA-N 0 0 242.300 2.493 20 5 BEBDRN O=[N+]([O-])c1ccc2[nH]c(N3CC4(CC4)C3)nc2c1 ZINC000590706168 347498238 /nfs/dbraw/zinc/49/82/38/347498238.db2.gz KMFRHYUIVOTYDY-UHFFFAOYSA-N 0 0 244.254 2.071 20 5 BEBDRN Cc1nn([C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000590739167 347502369 /nfs/dbraw/zinc/50/23/69/347502369.db2.gz PURFPQXETMWTAW-SECBINFHSA-N 0 0 232.243 2.104 20 5 BEBDRN O=[N+]([O-])c1ccc(CNc2cnc(F)cn2)cc1 ZINC001639315104 1172093418 /nfs/dbraw/zinc/09/34/18/1172093418.db2.gz LXXKMKMSAUPMJU-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN Cc1cc(S[C@H]2CCOC2)ncc1[N+](=O)[O-] ZINC000617000654 347575120 /nfs/dbraw/zinc/57/51/20/347575120.db2.gz AGRWKPWUVJFNDB-QMMMGPOBSA-N 0 0 240.284 2.179 20 5 BEBDRN O=[N+]([O-])c1cc2c(nc1N1CCCC1)CCCC2 ZINC000591888387 347711353 /nfs/dbraw/zinc/71/13/53/347711353.db2.gz ANMQWZJOFWLMJH-UHFFFAOYSA-N 0 0 247.298 2.469 20 5 BEBDRN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])s2)CO1 ZINC000591995695 347721803 /nfs/dbraw/zinc/72/18/03/347721803.db2.gz ARKICYHFCQRMOM-NKWVEPMBSA-N 0 0 228.273 2.246 20 5 BEBDRN COc1cc(-c2cn(C)nc2C)cc([N+](=O)[O-])c1 ZINC000592988535 347837110 /nfs/dbraw/zinc/83/71/10/347837110.db2.gz JPEIBINAODCFBP-UHFFFAOYSA-N 0 0 247.254 2.312 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](CO)CCF)c1 ZINC000593508153 347901129 /nfs/dbraw/zinc/90/11/29/347901129.db2.gz FBPDMBBDVRVAJK-VIFPVBQESA-N 0 0 242.250 2.036 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H](CO)CCF ZINC000593509790 347901599 /nfs/dbraw/zinc/90/15/99/347901599.db2.gz NCVFMFDSRLCSQP-SECBINFHSA-N 0 0 242.250 2.036 20 5 BEBDRN Cc1ccc(N[C@@H](CO)CCF)c([N+](=O)[O-])c1 ZINC000593509322 347901774 /nfs/dbraw/zinc/90/17/74/347901774.db2.gz MJVLIRUCIRSMMD-SECBINFHSA-N 0 0 242.250 2.036 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1NCC[C@H](C)O ZINC000594701706 348102520 /nfs/dbraw/zinc/10/25/20/348102520.db2.gz TYYPUABDIXDSRQ-JTQLQIEISA-N 0 0 238.287 2.394 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn(CC2CC=CC2)c1=O ZINC000594893359 348126940 /nfs/dbraw/zinc/12/69/40/348126940.db2.gz ZBQATAMAIYEIGV-UHFFFAOYSA-N 0 0 234.255 2.031 20 5 BEBDRN C[C@@H](O)CSCc1ccc(F)cc1[N+](=O)[O-] ZINC000594903509 348134006 /nfs/dbraw/zinc/13/40/06/348134006.db2.gz FMCNXBHTGYARQN-SSDOTTSWSA-N 0 0 245.275 2.348 20 5 BEBDRN CN(Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595289631 348213248 /nfs/dbraw/zinc/21/32/48/348213248.db2.gz GJYFGUOVVXXRFB-UHFFFAOYSA-N 0 0 224.235 2.328 20 5 BEBDRN Cc1noc(CN(C)C(C)(C)C)c1[N+](=O)[O-] ZINC000595558826 348280449 /nfs/dbraw/zinc/28/04/49/348280449.db2.gz QKOMQCZLPZGDOE-UHFFFAOYSA-N 0 0 227.264 2.122 20 5 BEBDRN Cc1ccnc(N2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000172811634 179431873 /nfs/dbraw/zinc/43/18/73/179431873.db2.gz ZVSOAFKQVNHZMU-SECBINFHSA-N 0 0 221.260 2.287 20 5 BEBDRN Cc1noc(COc2ccc(C)cn2)c1[N+](=O)[O-] ZINC000596019868 348423039 /nfs/dbraw/zinc/42/30/39/348423039.db2.gz GVAFMFQMWFHYMG-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn(C[C@@H]2C[C@H]3C[C@H]3C2)c1=O ZINC000596024953 348424559 /nfs/dbraw/zinc/42/45/59/348424559.db2.gz UNMPVUCYCPXZQI-JGPRNRPPSA-N 0 0 248.282 2.111 20 5 BEBDRN Cc1cc(N2C[C@H](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000596247361 348487000 /nfs/dbraw/zinc/48/70/00/348487000.db2.gz KHWKCTPQLJDBGP-IUCAKERBSA-N 0 0 221.260 2.143 20 5 BEBDRN C[C@@H]1CCN1c1c(Cl)cncc1[N+](=O)[O-] ZINC000596088340 348443563 /nfs/dbraw/zinc/44/35/63/348443563.db2.gz OOKDPWSNHTWUAZ-ZCFIWIBFSA-N 0 0 227.651 2.242 20 5 BEBDRN CC1(C)C[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596124670 348445613 /nfs/dbraw/zinc/44/56/13/348445613.db2.gz ZAZNVDSQLSKOJT-SSDOTTSWSA-N 0 0 237.259 2.153 20 5 BEBDRN Cc1cc(NCC[C@@H](C)O)c([N+](=O)[O-])s1 ZINC000596128449 348446015 /nfs/dbraw/zinc/44/60/15/348446015.db2.gz IDRJVLHBFRAIQO-ZCFIWIBFSA-N 0 0 230.289 2.148 20 5 BEBDRN O=c1[nH]ccc(NC2CC3(CCC3)C2)c1[N+](=O)[O-] ZINC000596296181 348490436 /nfs/dbraw/zinc/49/04/36/348490436.db2.gz UDIBNEVPXIOCTD-UHFFFAOYSA-N 0 0 249.270 2.440 20 5 BEBDRN CC1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCC1 ZINC000596153206 348453451 /nfs/dbraw/zinc/45/34/51/348453451.db2.gz QKZPBDGDDSMRGT-UHFFFAOYSA-N 0 0 237.259 2.298 20 5 BEBDRN Cc1cc(NCC2(O)CCC2)c([N+](=O)[O-])s1 ZINC000596122096 348454817 /nfs/dbraw/zinc/45/48/17/348454817.db2.gz OKIPFOSXVHCHJV-UHFFFAOYSA-N 0 0 242.300 2.292 20 5 BEBDRN Cc1cc(N(C)CCCCO)c([N+](=O)[O-])s1 ZINC000596204636 348466005 /nfs/dbraw/zinc/46/60/05/348466005.db2.gz BRAHUYUWOJZUFZ-UHFFFAOYSA-N 0 0 244.316 2.173 20 5 BEBDRN CC(C)=CCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596207597 348466521 /nfs/dbraw/zinc/46/65/21/348466521.db2.gz KYVBCXFJEYYPGN-UHFFFAOYSA-N 0 0 223.232 2.074 20 5 BEBDRN O=[N+]([O-])c1cccc(Cn2cc(C3CC3)nn2)c1 ZINC000596306751 348492080 /nfs/dbraw/zinc/49/20/80/348492080.db2.gz FMZQUCULPMFNNL-UHFFFAOYSA-N 0 0 244.254 2.112 20 5 BEBDRN Cc1ccnc(NCC(C)C)c1[N+](=O)[O-] ZINC000070062610 179440703 /nfs/dbraw/zinc/44/07/03/179440703.db2.gz MVNFJZZDUIAULW-UHFFFAOYSA-N 0 0 209.249 2.366 20 5 BEBDRN C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000596249476 348473048 /nfs/dbraw/zinc/47/30/48/348473048.db2.gz QBRGWYKIOHJORJ-SFYZADRCSA-N 0 0 246.270 2.316 20 5 BEBDRN C[C@H](Nc1ccc([N+](=O)[O-])s1)C1(CO)CC1 ZINC000596434634 348546215 /nfs/dbraw/zinc/54/62/15/348546215.db2.gz AUCKPGKCELLWTM-ZETCQYMHSA-N 0 0 242.300 2.229 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H](CO)C2CCC2)s1 ZINC000596324684 348507649 /nfs/dbraw/zinc/50/76/49/348507649.db2.gz KBMZLCWLNNRHAC-MRVPVSSYSA-N 0 0 242.300 2.229 20 5 BEBDRN CN(C[C@@H]1CC1(C)C)c1cccnc1[N+](=O)[O-] ZINC000596567469 348580914 /nfs/dbraw/zinc/58/09/14/348580914.db2.gz OGBUTJIDHRMKNX-VIFPVBQESA-N 0 0 235.287 2.472 20 5 BEBDRN CO[C@@]1(C)C[C@H]1Nc1ccc(C)cc1[N+](=O)[O-] ZINC000596538312 348582373 /nfs/dbraw/zinc/58/23/73/348582373.db2.gz DFQDEEQGQZQLJN-NEPJUHHUSA-N 0 0 236.271 2.493 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NCCCC1CCC1 ZINC000596476070 348554963 /nfs/dbraw/zinc/55/49/63/348554963.db2.gz PVSPFPPGROLNST-UHFFFAOYSA-N 0 0 238.291 2.321 20 5 BEBDRN C[C@H](O)C1(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000596524126 348564650 /nfs/dbraw/zinc/56/46/50/348564650.db2.gz PUTWMQMZQVSKOF-ZETCQYMHSA-N 0 0 240.234 2.059 20 5 BEBDRN COc1cccc(N2CC[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000596508760 348571978 /nfs/dbraw/zinc/57/19/78/348571978.db2.gz FGNUGKWUQZHOAM-UWVGGRQHSA-N 0 0 248.282 2.450 20 5 BEBDRN COc1cc(N2CC[C@@H]3C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596509890 348572374 /nfs/dbraw/zinc/57/23/74/348572374.db2.gz KBFSNKIAFLEXAB-NXEZZACHSA-N 0 0 248.282 2.450 20 5 BEBDRN Cc1ccnc(N2CC[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000596510011 348572455 /nfs/dbraw/zinc/57/24/55/348572455.db2.gz KUSGIWUJRPFRQE-NXEZZACHSA-N 0 0 233.271 2.144 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CO[C@H](C)C2)c1 ZINC000401903176 348652650 /nfs/dbraw/zinc/65/26/50/348652650.db2.gz GHQDNUSFWBEEBQ-NXEZZACHSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cnc(OCCOC(C)C)c([N+](=O)[O-])c1 ZINC000176702073 179643775 /nfs/dbraw/zinc/64/37/75/179643775.db2.gz PDJUEABWMBHFPW-UHFFFAOYSA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CO[C@@H](C)C1 ZINC000401940150 348780031 /nfs/dbraw/zinc/78/00/31/348780031.db2.gz OJJBCZDWXXRJEA-VHSXEESVSA-N 0 0 236.271 2.493 20 5 BEBDRN C[C@H]1C[C@@H](Nc2c(F)cccc2[N+](=O)[O-])CO1 ZINC000401976911 349002701 /nfs/dbraw/zinc/00/27/01/349002701.db2.gz WBNGFSWWQHHOTQ-JGVFFNPUSA-N 0 0 240.234 2.323 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCC[C@@H]1CC1(F)F ZINC000598637619 349015004 /nfs/dbraw/zinc/01/50/04/349015004.db2.gz KKNHUTGVPKMIHW-SSDOTTSWSA-N 0 0 243.213 2.447 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCCCCF ZINC000308879270 349016929 /nfs/dbraw/zinc/01/69/29/349016929.db2.gz CKIMZDDSULHLAX-UHFFFAOYSA-N 0 0 213.212 2.151 20 5 BEBDRN O=C(NCc1ccccc1[N+](=O)[O-])C12CC(C1)C2 ZINC000599083033 349095873 /nfs/dbraw/zinc/09/58/73/349095873.db2.gz GSFXIDZRPXSNSY-UHFFFAOYSA-N 0 0 246.266 2.011 20 5 BEBDRN CN(CC1(C)COC1)c1ccc([N+](=O)[O-])s1 ZINC000599145561 349105084 /nfs/dbraw/zinc/10/50/84/349105084.db2.gz XGZRKJPXXHWCKN-UHFFFAOYSA-N 0 0 242.300 2.129 20 5 BEBDRN CCC(F)(F)CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000599147812 349105278 /nfs/dbraw/zinc/10/52/78/349105278.db2.gz DSWATLCFBOGDCS-UHFFFAOYSA-N 0 0 247.201 2.153 20 5 BEBDRN CCO[C@@]1(C)C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000599146913 349105451 /nfs/dbraw/zinc/10/54/51/349105451.db2.gz CXOSJYBVJRTFTE-MUWHJKNJSA-N 0 0 243.288 2.031 20 5 BEBDRN CCC(F)(F)CNc1cccnc1[N+](=O)[O-] ZINC000599150361 349105868 /nfs/dbraw/zinc/10/58/68/349105868.db2.gz VJROUWZHRFBHPW-UHFFFAOYSA-N 0 0 231.202 2.447 20 5 BEBDRN CCC(F)(F)CNc1ccc([N+](=O)[O-])nc1 ZINC000599149478 349106057 /nfs/dbraw/zinc/10/60/57/349106057.db2.gz NGVPTIBTAXQXGY-UHFFFAOYSA-N 0 0 231.202 2.447 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CC[C@@H](F)C2)s1 ZINC000308903603 349061110 /nfs/dbraw/zinc/06/11/10/349061110.db2.gz KGYKPTCKWRTKTH-RITPCOANSA-N 0 0 231.252 2.354 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[C@@H](O)C1 ZINC000599174935 349112804 /nfs/dbraw/zinc/11/28/04/349112804.db2.gz MSBUSYXWLSGEBW-AOOOYVTPSA-N 0 0 236.271 2.086 20 5 BEBDRN CO[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000599190139 349114657 /nfs/dbraw/zinc/11/46/57/349114657.db2.gz SMGRYORUBCPVJU-XWEPSHTISA-N 0 0 240.234 2.323 20 5 BEBDRN CO[C@H]1C[C@H](Nc2cccc(C)c2[N+](=O)[O-])C1 ZINC000599190096 349114696 /nfs/dbraw/zinc/11/46/96/349114696.db2.gz RGVJWSXRNILXQN-MGCOHNPYSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cc(NCC2COC2)c(F)cc1[N+](=O)[O-] ZINC000599178411 349120911 /nfs/dbraw/zinc/12/09/11/349120911.db2.gz MOICOARPDKRINH-UHFFFAOYSA-N 0 0 240.234 2.101 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1N1CCCC1 ZINC000309041485 349367942 /nfs/dbraw/zinc/36/79/42/349367942.db2.gz KFDNIDWVXJXMQC-UHFFFAOYSA-N 0 0 227.651 2.243 20 5 BEBDRN CCN(c1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000264954045 349417353 /nfs/dbraw/zinc/41/73/53/349417353.db2.gz XPNRGEMQXQFLDA-UHFFFAOYSA-N 0 0 238.291 2.097 20 5 BEBDRN C[C@H]1CSC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000309113849 350033498 /nfs/dbraw/zinc/03/34/98/350033498.db2.gz KQNXRRWAACSYKO-WDSKDSINSA-N 0 0 245.329 2.215 20 5 BEBDRN Cc1nc(Oc2cccnc2)ccc1[N+](=O)[O-] ZINC000301640291 180029349 /nfs/dbraw/zinc/02/93/49/180029349.db2.gz MBWJPENUKKVPDN-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN Cc1nc(N2C[C@@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000268535188 180003486 /nfs/dbraw/zinc/00/34/86/180003486.db2.gz XYOIXMAHPMELPN-RKDXNWHRSA-N 0 0 235.287 2.390 20 5 BEBDRN Cc1nc(NC(C2CC2)C2CC2)ncc1[N+](=O)[O-] ZINC000296272381 180016625 /nfs/dbraw/zinc/01/66/25/180016625.db2.gz GVUKRCGTFCDRMP-UHFFFAOYSA-N 0 0 248.286 2.294 20 5 BEBDRN Cc1nc(NCC2CCCC2)ncc1[N+](=O)[O-] ZINC000296513375 180017677 /nfs/dbraw/zinc/01/76/77/180017677.db2.gz MCVBZCIKLXQYLT-UHFFFAOYSA-N 0 0 236.275 2.295 20 5 BEBDRN Cc1nc(NCC2=CCCOC2)ccc1[N+](=O)[O-] ZINC000288567331 180018191 /nfs/dbraw/zinc/01/81/91/180018191.db2.gz QNPXDRCEDMMGGF-UHFFFAOYSA-N 0 0 249.270 2.057 20 5 BEBDRN Cc1nc(N[C@@H]2CC=CCC2)ncc1[N+](=O)[O-] ZINC000297225188 180022496 /nfs/dbraw/zinc/02/24/96/180022496.db2.gz SXZREKIITSFIQQ-SECBINFHSA-N 0 0 234.259 2.214 20 5 BEBDRN CC(C)CN(C)c1cccnc1[N+](=O)[O-] ZINC000604482705 350138687 /nfs/dbraw/zinc/13/86/87/350138687.db2.gz AIGATUJFMUCHOJ-UHFFFAOYSA-N 0 0 209.249 2.082 20 5 BEBDRN CC[C@@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000410554080 191045112 /nfs/dbraw/zinc/04/51/12/191045112.db2.gz POMWGQUUNUCHKW-RKDXNWHRSA-N 0 0 249.270 2.283 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1CCCCCC1 ZINC000309291618 350256122 /nfs/dbraw/zinc/25/61/22/350256122.db2.gz JXDJMBCNTWNTCH-UHFFFAOYSA-N 0 0 221.260 2.370 20 5 BEBDRN CC(C)[C@H](Nc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000324494636 350301548 /nfs/dbraw/zinc/30/15/48/350301548.db2.gz FHNWVFKNGNRMNG-JTQLQIEISA-N 0 0 236.275 2.231 20 5 BEBDRN CC(C)[C@@](C)(O)CNc1ccsc1[N+](=O)[O-] ZINC000309351934 350324285 /nfs/dbraw/zinc/32/42/85/350324285.db2.gz MZXMKQVKEDBFMH-JTQLQIEISA-N 0 0 244.316 2.475 20 5 BEBDRN CC(C)[C@H](CO)CNc1ccsc1[N+](=O)[O-] ZINC000309395752 350367634 /nfs/dbraw/zinc/36/76/34/350367634.db2.gz VIPALBZSCPOFMG-QMMMGPOBSA-N 0 0 244.316 2.333 20 5 BEBDRN CCCC(C)(C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000050808748 350391254 /nfs/dbraw/zinc/39/12/54/350391254.db2.gz GTUIYQLMSNCEQF-UHFFFAOYSA-N 0 0 239.275 2.231 20 5 BEBDRN Cc1cccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000050823121 350392217 /nfs/dbraw/zinc/39/22/17/350392217.db2.gz OMJQFDYLDYPXNB-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN Cc1nn(C)c(NCCCC(C)C)c1[N+](=O)[O-] ZINC000037998884 180357838 /nfs/dbraw/zinc/35/78/38/180357838.db2.gz XBPMNXPROWKRRB-UHFFFAOYSA-N 0 0 240.307 2.485 20 5 BEBDRN Cc1nn(C)c(NCc2ccccc2)c1[N+](=O)[O-] ZINC000035732517 180358581 /nfs/dbraw/zinc/35/85/81/180358581.db2.gz SXIONVHRHONFRM-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1nn(C)c(N[C@H]2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000071208317 180360863 /nfs/dbraw/zinc/36/08/63/180360863.db2.gz DYRAFUXZNCPCNH-CBAPKCEASA-N 0 0 238.291 2.237 20 5 BEBDRN Cc1nn(C)c(N[C@@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000080120744 180360630 /nfs/dbraw/zinc/36/06/30/180360630.db2.gz OLAWKEHHZIAGJT-SECBINFHSA-N 0 0 236.275 2.157 20 5 BEBDRN Cc1nn(CC(=O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000295480632 180384067 /nfs/dbraw/zinc/38/40/67/180384067.db2.gz YRXMZZKLAOGUGA-UHFFFAOYSA-N 0 0 239.275 2.105 20 5 BEBDRN Cc1nn([C@@H]2C=CCCC2)cc1[N+](=O)[O-] ZINC000295402501 180391956 /nfs/dbraw/zinc/39/19/56/180391956.db2.gz RYKAULQRNZOYJI-SECBINFHSA-N 0 0 207.233 2.381 20 5 BEBDRN Cc1nn(CC2(C)CCC2)cc1[N+](=O)[O-] ZINC000295352612 180386197 /nfs/dbraw/zinc/38/61/97/180386197.db2.gz NYNAJQYBVNSTFL-UHFFFAOYSA-N 0 0 209.249 2.290 20 5 BEBDRN Cc1nn(CCSC(C)C)cc1[N+](=O)[O-] ZINC000282257958 180389053 /nfs/dbraw/zinc/38/90/53/180389053.db2.gz NKLIUGXAYIBBCH-UHFFFAOYSA-N 0 0 229.305 2.241 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCC1CCOCC1 ZINC000051924411 350652445 /nfs/dbraw/zinc/65/24/45/350652445.db2.gz JPLOVOQLPCSLHI-UHFFFAOYSA-N 0 0 236.271 2.433 20 5 BEBDRN Cc1noc(COc2cccc(C)c2[N+](=O)[O-])n1 ZINC000123958932 180490531 /nfs/dbraw/zinc/49/05/31/180490531.db2.gz HAQGNVHZKXVXHJ-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN O=[N+]([O-])c1sccc1NCCc1cn[nH]c1 ZINC000309503739 350677729 /nfs/dbraw/zinc/67/77/29/350677729.db2.gz MKEQZWYIYTUKCO-UHFFFAOYSA-N 0 0 238.272 2.034 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H]2C(F)F)n1 ZINC000343863488 351000001 /nfs/dbraw/zinc/00/00/01/351000001.db2.gz PJPLNSDUMNWLML-RQJHMYQMSA-N 0 0 243.213 2.364 20 5 BEBDRN CC(C)[C@H](CO)CNc1ccc([N+](=O)[O-])cc1 ZINC000343865396 351000414 /nfs/dbraw/zinc/00/04/14/351000414.db2.gz QPOCOYCZBOFPTE-JTQLQIEISA-N 0 0 238.287 2.271 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]2C(F)F)n1 ZINC000343863475 351000652 /nfs/dbraw/zinc/00/06/52/351000652.db2.gz PJPLNSDUMNWLML-NKWVEPMBSA-N 0 0 243.213 2.364 20 5 BEBDRN Cc1ocnc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000354294944 180550616 /nfs/dbraw/zinc/55/06/16/180550616.db2.gz FMBHUHCCSQHLIN-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN CCN(CC(C)C)c1ccc([N+](=O)[O-])nc1 ZINC000344412024 351123269 /nfs/dbraw/zinc/12/32/69/351123269.db2.gz DKGZGPHSAHUSEX-UHFFFAOYSA-N 0 0 223.276 2.472 20 5 BEBDRN CCCCN(CC)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000052933125 351081449 /nfs/dbraw/zinc/08/14/49/351081449.db2.gz UJBMPRKJFZYIKR-UHFFFAOYSA-N 0 0 239.275 2.185 20 5 BEBDRN CC[C@H](Nc1ccccc1[N+](=O)[O-])[C@@H](C)O ZINC000386693623 363027673 /nfs/dbraw/zinc/02/76/73/363027673.db2.gz KYMFCQSEXKXSMR-BDAKNGLRSA-N 0 0 224.260 2.166 20 5 BEBDRN CCCC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000231878971 351426964 /nfs/dbraw/zinc/42/69/64/351426964.db2.gz GSAALKDHOFQTLR-UHFFFAOYSA-N 0 0 236.271 2.320 20 5 BEBDRN CC[C@H](Nc1ccc([N+](=O)[O-])c(C)c1)[C@@H](C)O ZINC000386705923 363030453 /nfs/dbraw/zinc/03/04/53/363030453.db2.gz OEJWAFOJFCZWGU-KOLCDFICSA-N 0 0 238.287 2.475 20 5 BEBDRN CC[C@@H](Nc1ccc([N+](=O)[O-])c(C)c1)[C@@H](C)O ZINC000386705924 363030539 /nfs/dbraw/zinc/03/05/39/363030539.db2.gz OEJWAFOJFCZWGU-MWLCHTKSSA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1c(CNc2cnccn2)cccc1[N+](=O)[O-] ZINC000231869189 351416516 /nfs/dbraw/zinc/41/65/16/351416516.db2.gz HYXWQGQPTIVNRX-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC(=O)c1ccc(OCC(F)F)c([N+](=O)[O-])c1 ZINC000122605056 363063877 /nfs/dbraw/zinc/06/38/77/363063877.db2.gz DEAUPYLIZAHEGG-UHFFFAOYSA-N 0 0 245.181 2.441 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1NC1CC1 ZINC000307296063 351880598 /nfs/dbraw/zinc/88/05/98/351880598.db2.gz OEWLERLCHPFVCS-UHFFFAOYSA-N 0 0 213.624 2.218 20 5 BEBDRN CC(C)(O)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889680 187833639 /nfs/dbraw/zinc/83/36/39/187833639.db2.gz NXWWTPZVRXGYDM-UHFFFAOYSA-N 0 0 246.213 2.056 20 5 BEBDRN CCCCCCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000130859500 168680951 /nfs/dbraw/zinc/68/09/51/168680951.db2.gz NCWAHWFCCXZDMW-UHFFFAOYSA-N 0 0 224.260 2.337 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NCC(F)(F)F ZINC000052812212 352980347 /nfs/dbraw/zinc/98/03/47/352980347.db2.gz PGANMMVPEINLRZ-UHFFFAOYSA-N 0 0 235.165 2.272 20 5 BEBDRN CCn1nccc1CNc1ccccc1[N+](=O)[O-] ZINC000160045630 353114498 /nfs/dbraw/zinc/11/44/98/353114498.db2.gz FIAFBSHYBQNHDX-UHFFFAOYSA-N 0 0 246.270 2.423 20 5 BEBDRN CC1(C)[C@H](Nc2ccsc2[N+](=O)[O-])C[C@@H]1O ZINC000309501236 353126768 /nfs/dbraw/zinc/12/67/68/353126768.db2.gz UZCUGYFZNBIHIM-SFYZADRCSA-N 0 0 242.300 2.228 20 5 BEBDRN CC(C)=CCNc1ccc([N+](=O)[O-])cn1 ZINC000232642078 188080411 /nfs/dbraw/zinc/08/04/11/188080411.db2.gz QARWYIOBMOTRLP-UHFFFAOYSA-N 0 0 207.233 2.368 20 5 BEBDRN Cc1cc(OCC[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000134046665 353157679 /nfs/dbraw/zinc/15/76/79/353157679.db2.gz ZUWBHOYGMUMINN-SECBINFHSA-N 0 0 225.244 2.053 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCc1ccnc(F)c1 ZINC001640228367 1172159105 /nfs/dbraw/zinc/15/91/05/1172159105.db2.gz ZZDLWVXQGIIYTM-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN Cn1cc(CNc2ccc([N+](=O)[O-])s2)cn1 ZINC000048999905 353163758 /nfs/dbraw/zinc/16/37/58/353163758.db2.gz IYJVSMCFPIBXRU-UHFFFAOYSA-N 0 0 238.272 2.002 20 5 BEBDRN CC(=O)NO[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000180801080 188166865 /nfs/dbraw/zinc/16/68/65/188166865.db2.gz BONXQFCWIHVUGN-MRVPVSSYSA-N 0 0 238.243 2.032 20 5 BEBDRN CC1(C)CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192470715 188174357 /nfs/dbraw/zinc/17/43/57/188174357.db2.gz FJSZMLZYBXEGON-UHFFFAOYSA-N 0 0 227.289 2.288 20 5 BEBDRN CC(C)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000265485010 188195008 /nfs/dbraw/zinc/19/50/08/188195008.db2.gz GLQVLJJMDCQIAM-UHFFFAOYSA-N 0 0 230.651 2.066 20 5 BEBDRN CC(C)=CCNc1ncc([N+](=O)[O-])s1 ZINC000193923624 188175657 /nfs/dbraw/zinc/17/56/57/188175657.db2.gz PGOPUPFTSPRMPJ-UHFFFAOYSA-N 0 0 213.262 2.429 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1NCc1ccon1 ZINC000093297721 188222808 /nfs/dbraw/zinc/22/28/08/188222808.db2.gz DTKLEOHQNUYGGJ-UHFFFAOYSA-N 0 0 237.190 2.334 20 5 BEBDRN CC(C)COc1ccc(N)c([N+](=O)[O-])c1 ZINC000288426338 188224091 /nfs/dbraw/zinc/22/40/91/188224091.db2.gz CYELEGLPQYSYOC-UHFFFAOYSA-N 0 0 210.233 2.212 20 5 BEBDRN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)C ZINC000057458812 353392483 /nfs/dbraw/zinc/39/24/83/353392483.db2.gz YPUKAVBZIJZWNF-SECBINFHSA-N 0 0 239.275 2.087 20 5 BEBDRN C[C@@H]1CC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000092471176 353424722 /nfs/dbraw/zinc/42/47/22/353424722.db2.gz HQCDJOFEPRHXHT-SECBINFHSA-N 0 0 236.271 2.142 20 5 BEBDRN CNc1ccc([N+](=O)[O-])cc1NC(=O)C(C)C ZINC000577954556 366137075 /nfs/dbraw/zinc/13/70/75/366137075.db2.gz JQNUEGQUTHIQCM-UHFFFAOYSA-N 0 0 237.259 2.231 20 5 BEBDRN CC(C)[C@@H](C)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000344421655 354252990 /nfs/dbraw/zinc/25/29/90/354252990.db2.gz PJIPLORBPYRVPO-SECBINFHSA-N 0 0 223.276 2.471 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1C[C@H]1CCC(C)(C)O1 ZINC000412992599 191331655 /nfs/dbraw/zinc/33/16/55/191331655.db2.gz MWJROEYHCASHIV-SECBINFHSA-N 0 0 239.275 2.057 20 5 BEBDRN Cc1nn([C@@H]2CCC(C)(C)C2=O)cc1[N+](=O)[O-] ZINC000413006477 191338367 /nfs/dbraw/zinc/33/83/67/191338367.db2.gz ZDEWZQJKPIMXHI-MRVPVSSYSA-N 0 0 237.259 2.030 20 5 BEBDRN C[C@H](O)CSCc1c(F)cccc1[N+](=O)[O-] ZINC000413019202 191341952 /nfs/dbraw/zinc/34/19/52/191341952.db2.gz SHEBGNNRRPJOBN-ZETCQYMHSA-N 0 0 245.275 2.348 20 5 BEBDRN C[C@@H]1C[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413054257 191351006 /nfs/dbraw/zinc/35/10/06/191351006.db2.gz NDUFNZKXMJVSGT-RQJHMYQMSA-N 0 0 225.223 2.197 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC(CF)C2)n1 ZINC000413495939 191390264 /nfs/dbraw/zinc/39/02/64/191390264.db2.gz CMPDUJVYAGRZKI-UHFFFAOYSA-N 0 0 239.250 2.012 20 5 BEBDRN CC[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000413185002 191362139 /nfs/dbraw/zinc/36/21/39/191362139.db2.gz LAGKKRCYURSQII-QMMMGPOBSA-N 0 0 239.250 2.365 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCC[C@@H]2F)c(F)c1 ZINC000413289626 191369350 /nfs/dbraw/zinc/36/93/50/191369350.db2.gz AEFOCLPGBRAKAT-IONNQARKSA-N 0 0 243.213 2.431 20 5 BEBDRN CCC1CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000413367387 191375916 /nfs/dbraw/zinc/37/59/16/191375916.db2.gz QTJRGNDIAPYRQW-UHFFFAOYSA-N 0 0 241.678 2.489 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]1C ZINC000032517093 355527320 /nfs/dbraw/zinc/52/73/20/355527320.db2.gz XFJZROQNCNRVFK-SCZZXKLOSA-N 0 0 234.255 2.498 20 5 BEBDRN C[C@@H]1C[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000053104047 355808439 /nfs/dbraw/zinc/80/84/39/355808439.db2.gz JNKVYBDJXTZIBH-RQJHMYQMSA-N 0 0 240.284 2.042 20 5 BEBDRN CCCCOCCNc1ccc([N+](=O)[O-])nc1 ZINC000053297497 356227352 /nfs/dbraw/zinc/22/73/52/356227352.db2.gz XADDPARSGZIEEB-UHFFFAOYSA-N 0 0 239.275 2.218 20 5 BEBDRN CCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC000063756002 356424971 /nfs/dbraw/zinc/42/49/71/356424971.db2.gz RUTYTCZSPOFAHT-UHFFFAOYSA-N 0 0 214.290 2.498 20 5 BEBDRN C[C@H]1CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000336141711 134100440 /nfs/dbraw/zinc/10/04/40/134100440.db2.gz OLAAJNOMNPERNJ-KWQFWETISA-N 0 0 234.255 2.123 20 5 BEBDRN C[C@H]1CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000336143362 134100885 /nfs/dbraw/zinc/10/08/85/134100885.db2.gz QLVRBQLQHMGWCA-GZMMTYOYSA-N 0 0 234.255 2.123 20 5 BEBDRN CC/C=C/CNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420623151 192246347 /nfs/dbraw/zinc/24/63/47/192246347.db2.gz FGGULEDQKDPIMV-ONEGZZNKSA-N 0 0 249.270 2.072 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC[C@H]1C[C@@H](O)C1 ZINC000421185631 192314116 /nfs/dbraw/zinc/31/41/16/192314116.db2.gz CQXPYTYOVUVZHM-JGZJWPJOSA-N 0 0 236.271 2.086 20 5 BEBDRN O=[N+]([O-])c1ccc(SC[C@H]2C[C@@H](O)C2)cc1 ZINC000421218171 192315650 /nfs/dbraw/zinc/31/56/50/192315650.db2.gz LFTOOFCNLUPSNS-WAAGHKOSSA-N 0 0 239.296 2.458 20 5 BEBDRN Cc1ccc(OC[C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000421220953 192316199 /nfs/dbraw/zinc/31/61/99/192316199.db2.gz XUSDWQTXYIPMJD-AOOOYVTPSA-N 0 0 237.255 2.053 20 5 BEBDRN O=[N+]([O-])c1cccc2c1ccnc2N1CCC1 ZINC000450247233 202106226 /nfs/dbraw/zinc/10/62/26/202106226.db2.gz XLXNMWFXRUCTEQ-UHFFFAOYSA-N 0 0 229.239 2.353 20 5 BEBDRN CC/C=C\CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000384718248 356730695 /nfs/dbraw/zinc/73/06/95/356730695.db2.gz GKKMFBQXJZVYEX-PLNGDYQASA-N 0 0 221.260 2.098 20 5 BEBDRN O=[N+]([O-])c1ccc(SC[C@H]2CCCO2)cn1 ZINC000450481937 202179615 /nfs/dbraw/zinc/17/96/15/202179615.db2.gz BQRUYBXEJQGWTE-MRVPVSSYSA-N 0 0 240.284 2.261 20 5 BEBDRN C[C@@H](C1CC1)N(C)c1ncc([N+](=O)[O-])cc1F ZINC000582891935 357422758 /nfs/dbraw/zinc/42/27/58/357422758.db2.gz SMTABKPDJDBNIB-ZETCQYMHSA-N 0 0 239.250 2.364 20 5 BEBDRN C[C@@H](Nc1ncc([N+](=O)[O-])s1)C1CC1 ZINC000189682107 357657056 /nfs/dbraw/zinc/65/70/56/357657056.db2.gz ASMLTQPXXAIXNE-RXMQYKEDSA-N 0 0 213.262 2.262 20 5 BEBDRN Cc1cc(C(=O)N2CC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000619147418 358003855 /nfs/dbraw/zinc/00/38/55/358003855.db2.gz UXQUBUIIKYJNAC-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)C1 ZINC000619147117 358004015 /nfs/dbraw/zinc/00/40/15/358004015.db2.gz NWPVRSTYJSLIFP-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN CC[C@@H](C)[C@H](C)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001641159750 1172230149 /nfs/dbraw/zinc/23/01/49/1172230149.db2.gz FAHUHGAVUYOAQZ-RQJHMYQMSA-N 0 0 242.235 2.307 20 5 BEBDRN O=[N+]([O-])c1cccc(OCC[C@@H]2CCOC2)c1 ZINC000450618933 202213634 /nfs/dbraw/zinc/21/36/34/202213634.db2.gz IVYLWMLIVLLPPW-JTQLQIEISA-N 0 0 237.255 2.400 20 5 BEBDRN O=[N+]([O-])c1ccccc1OCc1csnn1 ZINC000584739413 358164879 /nfs/dbraw/zinc/16/48/79/358164879.db2.gz SKBMZWHVFRHOLB-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC(CF)CC2)cn1 ZINC000450683586 202233285 /nfs/dbraw/zinc/23/32/85/202233285.db2.gz HFGCXAOIMNDEOQ-UHFFFAOYSA-N 0 0 239.250 2.176 20 5 BEBDRN CCCCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000055797263 363600879 /nfs/dbraw/zinc/60/08/79/363600879.db2.gz ZRWURQCQUQLQRO-UHFFFAOYSA-N 0 0 236.271 2.401 20 5 BEBDRN CC1(F)CN(c2sccc2[N+](=O)[O-])C1 ZINC000619500411 358520481 /nfs/dbraw/zinc/52/04/81/358520481.db2.gz UXTKHWXBBLLZRK-UHFFFAOYSA-N 0 0 216.237 2.205 20 5 BEBDRN C[C@H](Cn1ccnc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000049236015 358676996 /nfs/dbraw/zinc/67/69/96/358676996.db2.gz VANVQIJWRPNSQH-SNVBAGLBSA-N 0 0 246.270 2.292 20 5 BEBDRN C[C@H](O)CCOc1ccc([N+](=O)[O-])cc1Cl ZINC000134046236 358777143 /nfs/dbraw/zinc/77/71/43/358777143.db2.gz OBOLSMBGRNEMBH-ZETCQYMHSA-N 0 0 245.662 2.398 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2c[nH]cn2)cc1 ZINC000619570003 358948710 /nfs/dbraw/zinc/94/87/10/358948710.db2.gz ICCMSTMKVQLHIB-UHFFFAOYSA-N 0 0 204.189 2.062 20 5 BEBDRN CCCCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000074344759 359116801 /nfs/dbraw/zinc/11/68/01/359116801.db2.gz SDIVJKRUEWJOFE-UHFFFAOYSA-N 0 0 242.300 2.495 20 5 BEBDRN Cn1cc(Nc2ccccc2[N+](=O)[O-])cn1 ZINC000035781674 359371653 /nfs/dbraw/zinc/37/16/53/359371653.db2.gz DBKLTTRZLCIXHT-UHFFFAOYSA-N 0 0 218.216 2.072 20 5 BEBDRN CC(C)C[C@@H]1C[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000385569221 359330396 /nfs/dbraw/zinc/33/03/96/359330396.db2.gz ZNDDMNCHDOOQMS-MWLCHTKSSA-N 0 0 235.287 2.258 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1[C@@H]1C[C@@H](C)CCC1=O ZINC000450819420 202276801 /nfs/dbraw/zinc/27/68/01/202276801.db2.gz KXLFPHDCZDCTQK-IONNQARKSA-N 0 0 237.259 2.030 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1[C@H]1C[C@@H](C)CCC1=O ZINC000450819419 202275291 /nfs/dbraw/zinc/27/52/91/202275291.db2.gz KXLFPHDCZDCTQK-CBAPKCEASA-N 0 0 237.259 2.030 20 5 BEBDRN C[C@H](O)CCCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000450889987 202302081 /nfs/dbraw/zinc/30/20/81/202302081.db2.gz SXIDQLCPTNNBBQ-QMMMGPOBSA-N 0 0 243.234 2.274 20 5 BEBDRN CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000036110306 360612774 /nfs/dbraw/zinc/61/27/74/360612774.db2.gz TXOBQGTYQUUMCS-UHFFFAOYSA-N 0 0 234.255 2.284 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC=CCC1 ZINC000079552581 370670180 /nfs/dbraw/zinc/67/01/80/370670180.db2.gz DZKQXVORHNGYBG-UHFFFAOYSA-N 0 0 247.254 2.389 20 5 BEBDRN CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000431258757 192911211 /nfs/dbraw/zinc/91/12/11/192911211.db2.gz ZBHZCRDLBOPMTR-UHFFFAOYSA-N 0 0 236.271 2.009 20 5 BEBDRN CCCCCNc1c([N+](=O)[O-])c(C)nn1C ZINC000036749252 361394002 /nfs/dbraw/zinc/39/40/02/361394002.db2.gz ZMENKSJKMLUMBN-UHFFFAOYSA-N 0 0 226.280 2.239 20 5 BEBDRN CC[C@@H](O)COc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000194767406 361491095 /nfs/dbraw/zinc/49/10/95/361491095.db2.gz RNXDRTAKKBFQPV-SNVBAGLBSA-N 0 0 239.271 2.361 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C(C)C)c1 ZINC000172727905 361709568 /nfs/dbraw/zinc/70/95/68/361709568.db2.gz AOEGVHSTZVLLSN-UHFFFAOYSA-N 0 0 236.271 2.384 20 5 BEBDRN CCOCCNc1ccsc1[N+](=O)[O-] ZINC000067913543 370722666 /nfs/dbraw/zinc/72/26/66/370722666.db2.gz MYVPPABUGJKHCC-UHFFFAOYSA-N 0 0 216.262 2.105 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1CNc1cccnn1 ZINC000191838894 219938561 /nfs/dbraw/zinc/93/85/61/219938561.db2.gz INNKUTOXDLQTNB-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CCCOC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669295 364457338 /nfs/dbraw/zinc/45/73/38/364457338.db2.gz RKXAKTGPZYUANY-UHFFFAOYSA-N 0 0 227.191 2.301 20 5 BEBDRN CC(C)=CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000579543150 366853806 /nfs/dbraw/zinc/85/38/06/366853806.db2.gz QFHAURMOUUJFTO-UHFFFAOYSA-N 0 0 249.270 2.076 20 5 BEBDRN CC(=O)c1nccn1Cc1cccc([N+](=O)[O-])c1 ZINC000439184789 201437620 /nfs/dbraw/zinc/43/76/20/201437620.db2.gz BZAACKYPWKMFLQ-UHFFFAOYSA-N 0 0 245.238 2.042 20 5 BEBDRN C[C@@H]1C[C@@H]1CC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000575167838 365224925 /nfs/dbraw/zinc/22/49/25/365224925.db2.gz UZSNHCYQDYHAOA-MWLCHTKSSA-N 0 0 248.282 2.257 20 5 BEBDRN CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444596708 193052335 /nfs/dbraw/zinc/05/23/35/193052335.db2.gz XQSJZXCHECGBRH-UHFFFAOYSA-N 0 0 246.270 2.065 20 5 BEBDRN Cc1nocc1COc1ccccc1[N+](=O)[O-] ZINC000575978572 365432817 /nfs/dbraw/zinc/43/28/17/365432817.db2.gz XYXUSVBUFVUMHH-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C3CCC2CC3)cn1 ZINC000579641691 366923738 /nfs/dbraw/zinc/92/37/38/366923738.db2.gz YBEBLGLJVLQBKR-UHFFFAOYSA-N 0 0 219.244 2.121 20 5 BEBDRN O=[N+]([O-])c1ccnn1Cc1c(F)cccc1F ZINC000182705776 366933970 /nfs/dbraw/zinc/93/39/70/366933970.db2.gz RBJQDKRFORAPCL-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000193344198 367169824 /nfs/dbraw/zinc/16/98/24/367169824.db2.gz WEOJZQXDVDIVGX-UHFFFAOYSA-N 0 0 237.259 2.353 20 5 BEBDRN C[C@@H](C(=O)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000580808341 367170865 /nfs/dbraw/zinc/17/08/65/367170865.db2.gz WJAAQQWCYKZODV-SECBINFHSA-N 0 0 248.282 2.319 20 5 BEBDRN COCCCOc1ccc(C)cc1[N+](=O)[O-] ZINC000193230993 367157482 /nfs/dbraw/zinc/15/74/82/367157482.db2.gz GPXNUNDCPRLNAV-UHFFFAOYSA-N 0 0 225.244 2.319 20 5 BEBDRN COCCCOc1ccc([N+](=O)[O-])c(C)c1 ZINC000193230163 367157899 /nfs/dbraw/zinc/15/78/99/367157899.db2.gz IYXBXDHPPQHPCU-UHFFFAOYSA-N 0 0 225.244 2.319 20 5 BEBDRN CCO[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000581230096 367300969 /nfs/dbraw/zinc/30/09/69/367300969.db2.gz MDRQUMDRNLNZER-PWSUYJOCSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1nnc(COc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000021481533 367979104 /nfs/dbraw/zinc/97/91/04/367979104.db2.gz JBSFZAVPTUIOAS-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@@H]1C ZINC000161410308 368144519 /nfs/dbraw/zinc/14/45/19/368144519.db2.gz NBCUORASGBHDGU-IONNQARKSA-N 0 0 221.260 2.366 20 5 BEBDRN CC[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)C ZINC000057458809 368493837 /nfs/dbraw/zinc/49/38/37/368493837.db2.gz YPUKAVBZIJZWNF-VIFPVBQESA-N 0 0 239.275 2.087 20 5 BEBDRN Cc1nnc(COc2cc([N+](=O)[O-])ccc2C)o1 ZINC000059125170 368530072 /nfs/dbraw/zinc/53/00/72/368530072.db2.gz KMZMADRHNBXBAN-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN O=[N+]([O-])c1ccc(OCc2ccno2)c(F)c1 ZINC000060807042 368553187 /nfs/dbraw/zinc/55/31/87/368553187.db2.gz AKWXUSBLBQBYNN-UHFFFAOYSA-N 0 0 238.174 2.301 20 5 BEBDRN CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000063602567 368589494 /nfs/dbraw/zinc/58/94/94/368589494.db2.gz DZXBAPUWOGGBPG-UHFFFAOYSA-N 0 0 222.244 2.077 20 5 BEBDRN O=[N+]([O-])c1cccnc1SC[C@H]1CCCO1 ZINC000067807423 368701157 /nfs/dbraw/zinc/70/11/57/368701157.db2.gz WSXABWOEJGCTPW-MRVPVSSYSA-N 0 0 240.284 2.261 20 5 BEBDRN Cn1cccc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000069520331 368754855 /nfs/dbraw/zinc/75/48/55/368754855.db2.gz NNCSQOKWKJMZOD-UHFFFAOYSA-N 0 0 245.238 2.186 20 5 BEBDRN CC(C)[C@@H]1C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000458130965 203139163 /nfs/dbraw/zinc/13/91/63/203139163.db2.gz QLNCBXGAWPLUCR-WDEREUQCSA-N 0 0 248.282 2.369 20 5 BEBDRN CC(C)CN(c1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000273612837 369388265 /nfs/dbraw/zinc/38/82/65/369388265.db2.gz MLVNICGANGQFSJ-UHFFFAOYSA-N 0 0 236.275 2.010 20 5 BEBDRN CC1(F)CN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000619500647 369402922 /nfs/dbraw/zinc/40/29/22/369402922.db2.gz TVHREVQDMBGREA-UHFFFAOYSA-N 0 0 228.198 2.282 20 5 BEBDRN C[C@H](CO)Sc1sccc1[N+](=O)[O-] ZINC000308281877 370119446 /nfs/dbraw/zinc/11/94/46/370119446.db2.gz XITPSJJQNBLZCM-RXMQYKEDSA-N 0 0 219.287 2.129 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCc1cccnn1 ZINC000309530706 370223302 /nfs/dbraw/zinc/22/33/02/370223302.db2.gz VWSSAOBLRAKFJW-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN CC[C@H](C)[C@H](O)CNc1ccc([N+](=O)[O-])s1 ZINC000309996839 370288019 /nfs/dbraw/zinc/28/80/19/370288019.db2.gz CIXICNHOWAJGIB-JGVFFNPUSA-N 0 0 244.316 2.475 20 5 BEBDRN CC(C)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000078385491 370554893 /nfs/dbraw/zinc/55/48/93/370554893.db2.gz VDUUVUCQPGTWSM-UHFFFAOYSA-N 0 0 237.259 2.467 20 5 BEBDRN C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C[C@@H]1F ZINC000619697318 370582236 /nfs/dbraw/zinc/58/22/36/370582236.db2.gz QNRWTVQZPJAIGN-BQBZGAKWSA-N 0 0 245.279 2.236 20 5 BEBDRN Cc1cc(OC[C@H](C)CO)c(F)cc1[N+](=O)[O-] ZINC000123651935 371092084 /nfs/dbraw/zinc/09/20/84/371092084.db2.gz RFPZEWIRCKOVCX-SSDOTTSWSA-N 0 0 243.234 2.050 20 5 BEBDRN Cc1ccc(N[C@@H](CO)C(C)C)c([N+](=O)[O-])c1 ZINC000092401487 371097010 /nfs/dbraw/zinc/09/70/10/371097010.db2.gz RFPCNSNZQDIIMN-NSHDSACASA-N 0 0 238.287 2.332 20 5 BEBDRN CC1(C)C(Nc2ncc([N+](=O)[O-])cn2)C1(C)C ZINC000092817723 371123884 /nfs/dbraw/zinc/12/38/84/371123884.db2.gz POEBQODTPLGLJL-UHFFFAOYSA-N 0 0 236.275 2.231 20 5 BEBDRN C[C@H](CO)COc1ccc([N+](=O)[O-])cc1Cl ZINC000154602527 371130716 /nfs/dbraw/zinc/13/07/16/371130716.db2.gz OWUKYQGOCFOTFC-SSDOTTSWSA-N 0 0 245.662 2.255 20 5 BEBDRN CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000020448762 371282725 /nfs/dbraw/zinc/28/27/25/371282725.db2.gz JBEMHSFKNFZNQH-SSDOTTSWSA-N 0 0 226.232 2.106 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CCOC1 ZINC000156437237 371409669 /nfs/dbraw/zinc/40/96/69/371409669.db2.gz HHKVIMCMNXBFHC-QMMMGPOBSA-N 0 0 240.234 2.182 20 5 BEBDRN C[C@@H]1CC[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000334187412 371508460 /nfs/dbraw/zinc/50/84/60/371508460.db2.gz GUOVYEAAAJSWFG-PSASIEDQSA-N 0 0 234.255 2.123 20 5 BEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000157200202 371534834 /nfs/dbraw/zinc/53/48/34/371534834.db2.gz PPECEPIZVBREAW-MRVPVSSYSA-N 0 0 232.243 2.491 20 5 BEBDRN CSCCCNc1cccnc1[N+](=O)[O-] ZINC000157222609 371536395 /nfs/dbraw/zinc/53/63/95/371536395.db2.gz FPQJPCZRWVQNAK-UHFFFAOYSA-N 0 0 227.289 2.155 20 5 BEBDRN C[C@H](CO)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000302715727 371594698 /nfs/dbraw/zinc/59/46/98/371594698.db2.gz ZFRBWCQJQAKADS-ZCFIWIBFSA-N 0 0 246.213 2.325 20 5 BEBDRN CC1(C)CC(Cn2cnc([N+](=O)[O-])c2)C1 ZINC000600515348 371678330 /nfs/dbraw/zinc/67/83/30/371678330.db2.gz RCHUWKAPXLNTHH-UHFFFAOYSA-N 0 0 209.249 2.228 20 5 BEBDRN C[C@H]1C[C@H]1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000600536664 371681736 /nfs/dbraw/zinc/68/17/36/371681736.db2.gz UYFHULDRTXBQIA-CBAPKCEASA-N 0 0 221.260 2.325 20 5 BEBDRN CC1(F)CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000601245884 371741300 /nfs/dbraw/zinc/74/13/00/371741300.db2.gz GRTYDQKQWCKKOF-UHFFFAOYSA-N 0 0 239.250 2.318 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC[C@H]2CCCO2)s1 ZINC000226770638 371741761 /nfs/dbraw/zinc/74/17/61/371741761.db2.gz FFOBKICJUPOYSF-SSDOTTSWSA-N 0 0 243.288 2.032 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC(C)(C)C1 ZINC000162652177 371739977 /nfs/dbraw/zinc/73/99/77/371739977.db2.gz SRYUWXXAYGSPNI-QMMMGPOBSA-N 0 0 238.291 2.319 20 5 BEBDRN Cc1cc(C)c(Cn2nccc2[N+](=O)[O-])c(C)n1 ZINC000601075195 371726611 /nfs/dbraw/zinc/72/66/11/371726611.db2.gz LOFJSUVDUSRGIF-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN C[C@@H]1OCC[C@@H]1COc1ccc([N+](=O)[O-])cc1 ZINC000601071090 371726814 /nfs/dbraw/zinc/72/68/14/371726814.db2.gz UFJYQIJAKZZDDD-VHSXEESVSA-N 0 0 237.255 2.399 20 5 BEBDRN COC(=O)[C@H](C)Sc1ccsc1[N+](=O)[O-] ZINC000601100882 371728463 /nfs/dbraw/zinc/72/84/63/371728463.db2.gz DRSGHQKIHUACTN-YFKPBYRVSA-N 0 0 247.297 2.310 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000601156064 371729954 /nfs/dbraw/zinc/72/99/54/371729954.db2.gz KVAVJTPSDBOUQY-MBTKJCJQSA-N 0 0 237.234 2.339 20 5 BEBDRN C[C@@H]1C[C@H](C)N1c1ncc(F)cc1[N+](=O)[O-] ZINC000601157569 371730980 /nfs/dbraw/zinc/73/09/80/371730980.db2.gz AFZURNRBSBLRAS-KNVOCYPGSA-N 0 0 225.223 2.116 20 5 BEBDRN CC(C)(F)CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601205793 371736736 /nfs/dbraw/zinc/73/67/36/371736736.db2.gz HXYWNHPPRWYBNZ-UHFFFAOYSA-N 0 0 231.202 2.289 20 5 BEBDRN CC1(C)C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000226771906 371741099 /nfs/dbraw/zinc/74/10/99/371741099.db2.gz PNDCONJKTYLHDL-YFKPBYRVSA-N 0 0 213.262 2.262 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N1N=CC[C@@H](C)C1=O ZINC000601942567 371776728 /nfs/dbraw/zinc/77/67/28/371776728.db2.gz KQGBHRGUUVXIMY-MRVPVSSYSA-N 0 0 247.254 2.262 20 5 BEBDRN CCCOc1ccc([N+](=O)[O-])cc1OC ZINC000132271368 371781070 /nfs/dbraw/zinc/78/10/70/371781070.db2.gz JPERPURBPOMEII-UHFFFAOYSA-N 0 0 211.217 2.392 20 5 BEBDRN O=[N+]([O-])c1ccc(CC[NH+]2CC(C3CC3)C2)cc1 ZINC000602677008 371830901 /nfs/dbraw/zinc/83/09/01/371830901.db2.gz PNVZULQNVZSWIN-UHFFFAOYSA-N 0 0 246.310 2.479 20 5 BEBDRN C/C=C/CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602725663 371835068 /nfs/dbraw/zinc/83/50/68/371835068.db2.gz SKMCDEUIRLLIHL-NSCUHMNNSA-N 0 0 247.254 2.402 20 5 BEBDRN Cc1cc(N(C)Cc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000603012497 371862949 /nfs/dbraw/zinc/86/29/49/371862949.db2.gz JXLQOUGUXNDNJZ-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN Cc1c(CC(=O)N2CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000603265528 371878919 /nfs/dbraw/zinc/87/89/19/371878919.db2.gz HGWRDERFFVVNJU-VIFPVBQESA-N 0 0 248.282 2.067 20 5 BEBDRN CCC(F)(F)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000603296951 371881220 /nfs/dbraw/zinc/88/12/20/371881220.db2.gz MMKRHIJXOJNZKU-UHFFFAOYSA-N 0 0 233.218 2.453 20 5 BEBDRN CN(Cc1ccco1)c1cccnc1[N+](=O)[O-] ZINC000603838712 371933047 /nfs/dbraw/zinc/93/30/47/371933047.db2.gz DJVINOUVJKYAJB-UHFFFAOYSA-N 0 0 233.227 2.219 20 5 BEBDRN C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000604395860 371973700 /nfs/dbraw/zinc/97/37/00/371973700.db2.gz FVBKTVXAAJPGQB-SECBINFHSA-N 0 0 248.282 2.371 20 5 BEBDRN CC(C)OCCOc1ccc([N+](=O)[O-])cc1 ZINC000058825326 372097734 /nfs/dbraw/zinc/09/77/34/372097734.db2.gz RBSFVCLVHMUPAH-UHFFFAOYSA-N 0 0 225.244 2.399 20 5 BEBDRN Cc1cnc(N[C@H](C)c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000139880345 372238719 /nfs/dbraw/zinc/23/87/19/372238719.db2.gz WDGOUGPYGNZCOY-MRVPVSSYSA-N 0 0 247.258 2.194 20 5 BEBDRN O=C(COc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000068050921 182002000 /nfs/dbraw/zinc/00/20/00/182002000.db2.gz GGTUSMYFBMTNFV-UHFFFAOYSA-N 0 0 239.202 2.092 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CC1CCCC1 ZINC000039048419 372857385 /nfs/dbraw/zinc/85/73/85/372857385.db2.gz ITCGAVSFYWUNOR-UHFFFAOYSA-N 0 0 209.249 2.290 20 5 BEBDRN O=C(Cc1ccccc1[N+](=O)[O-])NCC1CCC1 ZINC000031441125 182046103 /nfs/dbraw/zinc/04/61/03/182046103.db2.gz GUTKIZMARJHSLU-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN O=[N+]([O-])c1ccc(CNCc2cscn2)cc1 ZINC000040505223 373354963 /nfs/dbraw/zinc/35/49/63/373354963.db2.gz BSZNDGONGOOQQV-UHFFFAOYSA-N 0 0 249.295 2.341 20 5 BEBDRN O=C(NCCC1CC1)c1ccc([N+](=O)[O-])s1 ZINC000081021792 182155970 /nfs/dbraw/zinc/15/59/70/182155970.db2.gz AKNBVZMVJYEYDH-UHFFFAOYSA-N 0 0 240.284 2.186 20 5 BEBDRN O=C(NCCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000089767700 182204177 /nfs/dbraw/zinc/20/41/77/182204177.db2.gz YGRICPXVPHFRBI-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN CCCOC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000041031514 374086031 /nfs/dbraw/zinc/08/60/31/374086031.db2.gz ZTXMCCSMNCLZSN-UHFFFAOYSA-N 0 0 223.228 2.470 20 5 BEBDRN CC(C)C[C@@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000224294497 206011819 /nfs/dbraw/zinc/01/18/19/206011819.db2.gz DJYKBGJUOVQGFH-SNVBAGLBSA-N 0 0 238.287 2.414 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CCC1 ZINC000134452282 182362719 /nfs/dbraw/zinc/36/27/19/182362719.db2.gz XVQQLNHMCRECDK-UHFFFAOYSA-N 0 0 235.243 2.269 20 5 BEBDRN O=C(Nc1ccccn1)c1csc([N+](=O)[O-])c1 ZINC000044908554 182383180 /nfs/dbraw/zinc/38/31/80/182383180.db2.gz CYOIFYLKJSRXDM-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN O=C(Nc1ccncc1)c1csc([N+](=O)[O-])c1 ZINC000045008684 182388052 /nfs/dbraw/zinc/38/80/52/182388052.db2.gz GAPLYTYAGSWKCM-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN O=[N+]([O-])c1cn(CC=C(Cl)Cl)cn1 ZINC001643621877 1172481592 /nfs/dbraw/zinc/48/15/92/1172481592.db2.gz UKKZWKZGDCQLOD-UHFFFAOYSA-N 0 0 222.031 2.110 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(N[C@H]2CCOC2)c(F)c1 ZINC000228667631 182923799 /nfs/dbraw/zinc/92/37/99/182923799.db2.gz PPFLOIXJGQPUKR-LURJTMIESA-N 0 0 244.197 2.074 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCC2(F)CCC2)nc1 ZINC000340973303 182929827 /nfs/dbraw/zinc/92/98/27/182929827.db2.gz QETIYTSQGSCRRJ-UHFFFAOYSA-N 0 0 239.250 2.106 20 5 BEBDRN O=[N+]([O-])c1ccc(CNCC(F)(F)F)cc1 ZINC000020070245 182930476 /nfs/dbraw/zinc/93/04/76/182930476.db2.gz VSDFAVQWVBZWJP-UHFFFAOYSA-N 0 0 234.177 2.247 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC3(C2)CCCC3)nc1 ZINC000365055912 182933133 /nfs/dbraw/zinc/93/31/33/182933133.db2.gz NYSJGGJSMYANGA-UHFFFAOYSA-N 0 0 233.271 2.370 20 5 BEBDRN O=[N+]([O-])c1ccccc1Oc1cccc[n+]1[O-] ZINC000025820561 182952619 /nfs/dbraw/zinc/95/26/19/182952619.db2.gz DNKUUIWKSRPFLG-UHFFFAOYSA-N 0 0 232.195 2.021 20 5 BEBDRN O=[N+]([O-])c1ccn(CCSC2CCCC2)n1 ZINC000178457183 182954822 /nfs/dbraw/zinc/95/48/22/182954822.db2.gz SOCPCXYIKZHDGN-UHFFFAOYSA-N 0 0 241.316 2.467 20 5 BEBDRN O=[N+]([O-])c1cccnc1Oc1ccc(F)nc1 ZINC000161232862 182953438 /nfs/dbraw/zinc/95/34/38/182953438.db2.gz RYJWSFAWNUHYRD-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN O=[N+]([O-])c1cccnc1S[C@H]1CCCOC1 ZINC000267543336 182954982 /nfs/dbraw/zinc/95/49/82/182954982.db2.gz AQNJJVZQCQNEBX-QMMMGPOBSA-N 0 0 240.284 2.261 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]2C2CC2)nc1 ZINC000309495871 182937808 /nfs/dbraw/zinc/93/78/08/182937808.db2.gz KBYABYGXSTURLP-NXEZZACHSA-N 0 0 219.244 2.200 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000309510816 182960489 /nfs/dbraw/zinc/96/04/89/182960489.db2.gz PFCFMQWFEWQKSU-VROVMSAKSA-N 0 0 219.244 2.200 20 5 BEBDRN O=[N+]([O-])c1cn(CC23CCC(CC2)C3)cn1 ZINC000295658787 182956127 /nfs/dbraw/zinc/95/61/27/182956127.db2.gz DUMAUZCDQLFZQG-UHFFFAOYSA-N 0 0 221.260 2.372 20 5 BEBDRN O=c1ccn([C@@H]2C=CCCC2)cc1[N+](=O)[O-] ZINC000176995320 183004317 /nfs/dbraw/zinc/00/43/17/183004317.db2.gz DXEVCSINVSQJGX-SECBINFHSA-N 0 0 220.228 2.038 20 5 BEBDRN O=c1ccn([C@H]2C=CCCC2)cc1[N+](=O)[O-] ZINC000176995305 183004867 /nfs/dbraw/zinc/00/48/67/183004867.db2.gz DXEVCSINVSQJGX-VIFPVBQESA-N 0 0 220.228 2.038 20 5 BEBDRN CCCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000097363520 169032436 /nfs/dbraw/zinc/03/24/36/169032436.db2.gz QLZIRMBVILWOKM-UHFFFAOYSA-N 0 0 236.227 2.303 20 5 BEBDRN O=[N+]([O-])c1sccc1OCCOC1CC1 ZINC001643934837 1172512527 /nfs/dbraw/zinc/51/25/27/1172512527.db2.gz JFABUIMTFANZFV-UHFFFAOYSA-N 0 0 229.257 2.214 20 5 BEBDRN CCCN(C)c1cccc(OC)c1[N+](=O)[O-] ZINC000185287827 169088735 /nfs/dbraw/zinc/08/87/35/169088735.db2.gz NSJYQYODKOESLA-UHFFFAOYSA-N 0 0 224.260 2.450 20 5 BEBDRN CCCN(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000265511203 169089961 /nfs/dbraw/zinc/08/99/61/169089961.db2.gz KLKDQPTXWBVCQO-UHFFFAOYSA-N 0 0 229.667 2.489 20 5 BEBDRN CCCN(c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000272496646 169182175 /nfs/dbraw/zinc/18/21/75/169182175.db2.gz KYMXLDJUGDPXLL-UHFFFAOYSA-N 0 0 221.260 2.369 20 5 BEBDRN CCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000088147516 169250677 /nfs/dbraw/zinc/25/06/77/169250677.db2.gz TXHDTVSEBSKIPY-UHFFFAOYSA-N 0 0 222.244 2.043 20 5 BEBDRN CCCNc1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC000004243410 169295681 /nfs/dbraw/zinc/29/56/81/169295681.db2.gz UKYGUQMCRHSWJQ-UHFFFAOYSA-N 0 0 230.655 2.169 20 5 BEBDRN CCC[C@@H](CNc1ccc([N+](=O)[O-])cn1)OC ZINC000293618035 169385801 /nfs/dbraw/zinc/38/58/01/169385801.db2.gz IDKHDGWDBYYDCO-JTQLQIEISA-N 0 0 239.275 2.217 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1COc1cncnc1 ZINC001644286500 1172539708 /nfs/dbraw/zinc/53/97/08/1172539708.db2.gz GJGQPNGXSRRUMW-UHFFFAOYSA-N 0 0 249.201 2.103 20 5 BEBDRN COC[C@@H](C)N(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000194057985 259614615 /nfs/dbraw/zinc/61/46/15/259614615.db2.gz QPUPPXDIFPTIHR-SNVBAGLBSA-N 0 0 238.287 2.374 20 5 BEBDRN O=[N+]([O-])c1cccc2c1CCN2CC1CC1 ZINC000183620111 134355419 /nfs/dbraw/zinc/35/54/19/134355419.db2.gz CNQHDXIWTOCFOA-UHFFFAOYSA-N 0 0 218.256 2.367 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@H]1CCC[C@H]1F ZINC000338822736 383838117 /nfs/dbraw/zinc/83/81/17/383838117.db2.gz CMPRDMTUDJQECC-SFYZADRCSA-N 0 0 225.223 2.292 20 5 BEBDRN CC(C)[C@H](O)CNc1ccc([N+](=O)[O-])cc1F ZINC000134962659 383852276 /nfs/dbraw/zinc/85/22/76/383852276.db2.gz YBIHELGRGLHLFZ-LLVKDONJSA-N 0 0 242.250 2.163 20 5 BEBDRN CC(=O)c1cc([N+](=O)[O-])ccc1NCC(F)F ZINC000288386785 383880376 /nfs/dbraw/zinc/88/03/76/383880376.db2.gz MAXILMQNGUJNJG-UHFFFAOYSA-N 0 0 244.197 2.474 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)c(F)cc1OCCCO ZINC000287257719 383875019 /nfs/dbraw/zinc/87/50/19/383875019.db2.gz PYGLZFZKZXODGJ-UHFFFAOYSA-N 0 0 249.625 2.149 20 5 BEBDRN CN(Cc1ncc[nH]1)c1sccc1[N+](=O)[O-] ZINC000611411889 383956384 /nfs/dbraw/zinc/95/63/84/383956384.db2.gz AWLZWDYUCZVLBU-UHFFFAOYSA-N 0 0 238.272 2.016 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC(C)C1 ZINC000334889657 383972726 /nfs/dbraw/zinc/97/27/26/383972726.db2.gz RBMMBSVCTYMBHW-UHFFFAOYSA-N 0 0 249.270 2.387 20 5 BEBDRN CCc1cc(CNc2ccc([N+](=O)[O-])nc2)on1 ZINC000558559075 384061825 /nfs/dbraw/zinc/06/18/25/384061825.db2.gz DWZARXUSYMNKKB-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN Cc1ccc(CCn2nccc2[N+](=O)[O-])cc1 ZINC000127980542 384062494 /nfs/dbraw/zinc/06/24/94/384062494.db2.gz DGWIDCZUGHOKAC-UHFFFAOYSA-N 0 0 231.255 2.342 20 5 BEBDRN CO[C@H](C)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000289424645 384101857 /nfs/dbraw/zinc/10/18/57/384101857.db2.gz BYDQLAPBHRYCCE-HTQZYQBOSA-N 0 0 244.316 2.169 20 5 BEBDRN COC1(C)CN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000611466653 384169329 /nfs/dbraw/zinc/16/93/29/384169329.db2.gz FLHOGCKDQYLHRK-UHFFFAOYSA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1cccc(OCCC[C@H](C)O)c1[N+](=O)[O-] ZINC000310463562 384176977 /nfs/dbraw/zinc/17/69/77/384176977.db2.gz YPNIHVCJPRLEKB-JTQLQIEISA-N 0 0 239.271 2.443 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H](F)C2)nc1 ZINC000336659991 384246945 /nfs/dbraw/zinc/24/69/45/384246945.db2.gz BADYFNTWZKVNPZ-HTQZYQBOSA-N 0 0 225.223 2.292 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@H]1CC[C@H](F)C1 ZINC000336672024 384250544 /nfs/dbraw/zinc/25/05/44/384250544.db2.gz IWCDOYJHWDYOAU-JGVFFNPUSA-N 0 0 225.223 2.292 20 5 BEBDRN Cc1c(Nc2nccc(C)c2[N+](=O)[O-])cnn1C ZINC000362560582 384260149 /nfs/dbraw/zinc/26/01/49/384260149.db2.gz NCQODXSDRYYSAY-UHFFFAOYSA-N 0 0 247.258 2.084 20 5 BEBDRN Cc1c(Nc2ncc(C)cc2[N+](=O)[O-])cnn1C ZINC000362559303 384260416 /nfs/dbraw/zinc/26/04/16/384260416.db2.gz AMVWVRWLVRTFBW-UHFFFAOYSA-N 0 0 247.258 2.084 20 5 BEBDRN Cc1cccc(N2C[C@@H](F)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000335434123 384285688 /nfs/dbraw/zinc/28/56/88/384285688.db2.gz HGIMTIASMRDPRO-DTORHVGOSA-N 0 0 242.225 2.399 20 5 BEBDRN O=[N+]([O-])c1cc(CNCC(F)F)cs1 ZINC000147307331 384285873 /nfs/dbraw/zinc/28/58/73/384285873.db2.gz KWCDUBDFIWZQKU-UHFFFAOYSA-N 0 0 222.216 2.011 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCCSC2)s1 ZINC000226776994 384301053 /nfs/dbraw/zinc/30/10/53/384301053.db2.gz FHROSHVAPMYUFV-ZCFIWIBFSA-N 0 0 245.329 2.359 20 5 BEBDRN CC[C@H](O)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000229993982 384344445 /nfs/dbraw/zinc/34/44/45/384344445.db2.gz AYUKTXREUNAXBN-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN CCN(C)C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000233451279 384346922 /nfs/dbraw/zinc/34/69/22/384346922.db2.gz VZOPDGNTMDSBOY-UHFFFAOYSA-N 0 0 240.234 2.134 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N(C)C2CC2)n1 ZINC000359080671 384374460 /nfs/dbraw/zinc/37/44/60/384374460.db2.gz GRTPUXPBEFVMJR-UHFFFAOYSA-N 0 0 221.260 2.205 20 5 BEBDRN C[C@H]1C[C@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000335770731 384372675 /nfs/dbraw/zinc/37/26/75/384372675.db2.gz NOQGDQGQRVQFQA-IUCAKERBSA-N 0 0 234.255 2.218 20 5 BEBDRN C[C@@H](O)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000164916483 384333710 /nfs/dbraw/zinc/33/37/10/384333710.db2.gz LGWVDDKDKGNLSZ-DTWKUNHWSA-N 0 0 224.260 2.166 20 5 BEBDRN C[C@@H](CF)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000286873508 384408762 /nfs/dbraw/zinc/40/87/62/384408762.db2.gz HQQMWGGPDLQAEF-ZETCQYMHSA-N 0 0 241.222 2.074 20 5 BEBDRN CC(C)N(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000078728452 384460538 /nfs/dbraw/zinc/46/05/38/384460538.db2.gz WWOSIEGMRNTJLA-RMKNXTFCSA-N 0 0 248.282 2.475 20 5 BEBDRN CC(C)N(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000078728678 384460838 /nfs/dbraw/zinc/46/08/38/384460838.db2.gz IVEVYQRALLGIKC-CMDGGOBGSA-N 0 0 248.282 2.475 20 5 BEBDRN C/C=C/C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000274518218 384497672 /nfs/dbraw/zinc/49/76/72/384497672.db2.gz WCDHJVGEMKEJKT-VUDBWIFFSA-N 0 0 236.271 2.334 20 5 BEBDRN O=[N+]([O-])c1cccc(-c2cnn(CCF)c2)c1 ZINC000340709883 384557699 /nfs/dbraw/zinc/55/76/99/384557699.db2.gz XMGSBFFARAQMLY-UHFFFAOYSA-N 0 0 235.218 2.428 20 5 BEBDRN CC[C@H](O)COc1ccc([N+](=O)[O-])cc1C ZINC000120253505 384605671 /nfs/dbraw/zinc/60/56/71/384605671.db2.gz QKCUOXDZOJGNMG-JTQLQIEISA-N 0 0 225.244 2.053 20 5 BEBDRN CN(Cc1c(F)cccc1[N+](=O)[O-])CC(F)F ZINC000103487376 384634234 /nfs/dbraw/zinc/63/42/34/384634234.db2.gz AMEKHUHRHOLBHD-UHFFFAOYSA-N 0 0 248.204 2.431 20 5 BEBDRN C[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000136089077 384656374 /nfs/dbraw/zinc/65/63/74/384656374.db2.gz ZGCGDTIRLKAZGR-SFYZADRCSA-N 0 0 207.233 2.058 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCc2ccc[nH]2)s1 ZINC000310037306 384705173 /nfs/dbraw/zinc/70/51/73/384705173.db2.gz UZLQJZGHQHXCEU-UHFFFAOYSA-N 0 0 238.272 2.034 20 5 BEBDRN COC[C@H](C)CNc1ccc([N+](=O)[O-])cc1F ZINC000044477183 384741674 /nfs/dbraw/zinc/74/16/74/384741674.db2.gz YOSWMTJDONPMNM-MRVPVSSYSA-N 0 0 242.250 2.428 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(S[C@@H](C)[C@H](C)O)n1 ZINC000178242685 384819583 /nfs/dbraw/zinc/81/95/83/384819583.db2.gz BXLINAKVHOIIFX-YUMQZZPRSA-N 0 0 242.300 2.160 20 5 BEBDRN CCC1(CNc2c([N+](=O)[O-])ncn2C)CCC1 ZINC000084489409 384872906 /nfs/dbraw/zinc/87/29/06/384872906.db2.gz LYUCVLGRIBWPEO-UHFFFAOYSA-N 0 0 238.291 2.321 20 5 BEBDRN Cc1nn(C)cc1COc1ccc([N+](=O)[O-])cc1 ZINC000450617138 384843944 /nfs/dbraw/zinc/84/39/44/384843944.db2.gz FNXBHMQFBUAAEJ-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN C[C@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000147762690 384858097 /nfs/dbraw/zinc/85/80/97/384858097.db2.gz CWCNMNOQYDRTST-GMSGAONNSA-N 0 0 240.234 2.323 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCO2)c1 ZINC000084726210 384865947 /nfs/dbraw/zinc/86/59/47/384865947.db2.gz PNEACWDJMKYABH-JTQLQIEISA-N 0 0 236.271 2.494 20 5 BEBDRN C[C@@H](CO)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000084901500 384905910 /nfs/dbraw/zinc/90/59/10/384905910.db2.gz SOULMYBCDIWWDF-SSDOTTSWSA-N 0 0 244.678 2.289 20 5 BEBDRN Cc1cc(NC[C@@H]2C[C@H]2C(C)C)ncc1[N+](=O)[O-] ZINC000450814123 384932123 /nfs/dbraw/zinc/93/21/23/384932123.db2.gz UWEHJPDEGRDEBS-QWRGUYRKSA-N 0 0 249.314 2.424 20 5 BEBDRN CC[C@](C)(CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000080882852 384982843 /nfs/dbraw/zinc/98/28/43/384982843.db2.gz JRHAKKSFHGGUFB-LLVKDONJSA-N 0 0 242.250 2.307 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1CC(CC2CC2)C1 ZINC000598642755 385040446 /nfs/dbraw/zinc/04/04/46/385040446.db2.gz GOWJNWYDZIJJFE-UHFFFAOYSA-N 0 0 233.271 2.226 20 5 BEBDRN CS[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000152806485 385217021 /nfs/dbraw/zinc/21/70/21/385217021.db2.gz DKHPWZYVTLTHGA-ZETCQYMHSA-N 0 0 240.284 2.285 20 5 BEBDRN CC[C@H](O)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000288083966 385265887 /nfs/dbraw/zinc/26/58/87/385265887.db2.gz ZKXXSTDJPDJDKO-QMMMGPOBSA-N 0 0 242.250 2.307 20 5 BEBDRN C[C@H](CCO)CCNc1ccc([N+](=O)[O-])cc1 ZINC000294871126 385279271 /nfs/dbraw/zinc/27/92/71/385279271.db2.gz DZWYHJDMOZBWGV-JTQLQIEISA-N 0 0 238.287 2.415 20 5 BEBDRN C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000178443594 385374877 /nfs/dbraw/zinc/37/48/77/385374877.db2.gz RMZPFLLMTUEQBH-SECBINFHSA-N 0 0 248.282 2.257 20 5 BEBDRN C[C@H](CCCO)CNc1ccc([N+](=O)[O-])cc1 ZINC000295027108 385386177 /nfs/dbraw/zinc/38/61/77/385386177.db2.gz VFGIWYUFAUVAJN-SNVBAGLBSA-N 0 0 238.287 2.415 20 5 BEBDRN O=[N+]([O-])c1cccc2c1CC[C@H]2Nc1c[nH]cn1 ZINC000573106578 385441868 /nfs/dbraw/zinc/44/18/68/385441868.db2.gz LQVSZODMKKPARH-SNVBAGLBSA-N 0 0 244.254 2.417 20 5 BEBDRN CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC1 ZINC000290517099 385471181 /nfs/dbraw/zinc/47/11/81/385471181.db2.gz MHHSRYGZNLZKSL-UHFFFAOYSA-N 0 0 220.228 2.372 20 5 BEBDRN CO[C@@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000290776337 385461959 /nfs/dbraw/zinc/46/19/59/385461959.db2.gz VWHGCYDEYHNVRR-APPZFPTMSA-N 0 0 239.275 2.134 20 5 BEBDRN CC[C@H](CNc1cc(C)c([N+](=O)[O-])cn1)OC ZINC000290705352 385568462 /nfs/dbraw/zinc/56/84/62/385568462.db2.gz NVQSCRKNZVAKTM-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1nn([C@@H]2C[C@H](C)CCC2=O)cc1[N+](=O)[O-] ZINC000450960009 385599739 /nfs/dbraw/zinc/59/97/39/385599739.db2.gz OAXLALJWCJCMIZ-VXNVDRBHSA-N 0 0 237.259 2.030 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072673044 385626144 /nfs/dbraw/zinc/62/61/44/385626144.db2.gz PIULLECMZDLMDE-LDYMZIIASA-N 0 0 234.255 2.214 20 5 BEBDRN CC[C@@H]1C[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000452767825 385659405 /nfs/dbraw/zinc/65/94/05/385659405.db2.gz USNUMEKXNHUCNO-KOLCDFICSA-N 0 0 248.282 2.371 20 5 BEBDRN Cc1nn(Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000181833691 385660353 /nfs/dbraw/zinc/66/03/53/385660353.db2.gz LPQKZEKKWDGRAQ-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCC[C@@H]1O ZINC000265557622 385688561 /nfs/dbraw/zinc/68/85/61/385688561.db2.gz IOMFLNNGKWVXKY-ONGXEEELSA-N 0 0 240.234 2.059 20 5 BEBDRN CCOCCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000336688747 385707019 /nfs/dbraw/zinc/70/70/19/385707019.db2.gz GYUSXTIHOSCRDK-UHFFFAOYSA-N 0 0 242.250 2.491 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CCOC[C@H]1C1CC1 ZINC000159689140 385711115 /nfs/dbraw/zinc/71/11/15/385711115.db2.gz MMRXEWKHWKVVDE-ZDUSSCGKSA-N 0 0 248.282 2.210 20 5 BEBDRN CC[C@@H](C)[C@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000264849446 385671271 /nfs/dbraw/zinc/67/12/71/385671271.db2.gz ZKYPJNWACARYBR-BXKDBHETSA-N 0 0 238.287 2.414 20 5 BEBDRN Cc1ncc(CNc2ncc([N+](=O)[O-])cc2C)o1 ZINC000397909954 385728478 /nfs/dbraw/zinc/72/84/78/385728478.db2.gz YXDMHSNARXXWMZ-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC(C)C(=O)COc1c(F)cccc1[N+](=O)[O-] ZINC000124282334 385750679 /nfs/dbraw/zinc/75/06/79/385750679.db2.gz OJNGSYCVPAHZCY-UHFFFAOYSA-N 0 0 241.218 2.338 20 5 BEBDRN CCC[C@@H]1C[C@H]1Nc1c([N+](=O)[O-])c(C)nn1C ZINC000231663414 385769534 /nfs/dbraw/zinc/76/95/34/385769534.db2.gz IZHLGBLFVLQCQD-RKDXNWHRSA-N 0 0 238.291 2.237 20 5 BEBDRN COC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000265849094 385772054 /nfs/dbraw/zinc/77/20/54/385772054.db2.gz VCPWKSPSDGDKRW-SNVBAGLBSA-N 0 0 236.271 2.068 20 5 BEBDRN Cc1cnccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000228702521 385833236 /nfs/dbraw/zinc/83/32/36/385833236.db2.gz INBJTVCLOKZADB-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@H]2O)s1 ZINC000309520442 386050969 /nfs/dbraw/zinc/05/09/69/386050969.db2.gz BFWSXRUJASGGFR-YUMQZZPRSA-N 0 0 242.300 2.372 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000054547781 386072012 /nfs/dbraw/zinc/07/20/12/386072012.db2.gz HZWATFUPMZWNSQ-GZMMTYOYSA-N 0 0 246.266 2.140 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC(C)C2)n1 ZINC000408408592 386436680 /nfs/dbraw/zinc/43/66/80/386436680.db2.gz ZWRUBUJVVDJJAC-UHFFFAOYSA-N 0 0 221.260 2.063 20 5 BEBDRN CC(C)(O)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000274775098 386409103 /nfs/dbraw/zinc/40/91/03/386409103.db2.gz NOAYYIOEJSHSJH-UHFFFAOYSA-N 0 0 242.250 2.307 20 5 BEBDRN Cc1cc(C(=O)N2C[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000294146524 386433005 /nfs/dbraw/zinc/43/30/05/386433005.db2.gz ONDUBVVIMVDERE-NXEZZACHSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1noc(C)c1CNc1ccc([N+](=O)[O-])cn1 ZINC000063255205 386464205 /nfs/dbraw/zinc/46/42/05/386464205.db2.gz YLYLDLKWSUMCMQ-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN C[C@H]1CCC[C@H](Cn2cnc([N+](=O)[O-])n2)C1 ZINC000185524021 386577923 /nfs/dbraw/zinc/57/79/23/386577923.db2.gz HMDBODMAIQIIBW-IUCAKERBSA-N 0 0 224.264 2.013 20 5 BEBDRN O=[N+]([O-])c1sccc1NCC1(CO)CCC1 ZINC000309552915 386534198 /nfs/dbraw/zinc/53/41/98/386534198.db2.gz GOTNTWPAKYBZDA-UHFFFAOYSA-N 0 0 242.300 2.231 20 5 BEBDRN O=[N+]([O-])c1cnc2ccccc2c1N1CCCO1 ZINC000292045275 386639895 /nfs/dbraw/zinc/63/98/95/386639895.db2.gz VOXBFRSFYMNSPE-UHFFFAOYSA-N 0 0 245.238 2.285 20 5 BEBDRN O=c1c(Cl)cc([N+](=O)[O-])cn1CC1CCC1 ZINC000268585012 386665345 /nfs/dbraw/zinc/66/53/45/386665345.db2.gz DMXSJIZNQXBAAR-UHFFFAOYSA-N 0 0 242.662 2.210 20 5 BEBDRN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000184962439 386834613 /nfs/dbraw/zinc/83/46/13/386834613.db2.gz OEGQRWCOBUIDMC-CMDGGOBGSA-N 0 0 234.255 2.086 20 5 BEBDRN COc1cc(N2CCCC2)c([N+](=O)[O-])cc1F ZINC000268128665 386861383 /nfs/dbraw/zinc/86/13/83/386861383.db2.gz BBASHKMWIUHQLN-UHFFFAOYSA-N 0 0 240.234 2.343 20 5 BEBDRN CC[C@@H](C)CSc1c([N+](=O)[O-])ncn1C ZINC000268158290 386881524 /nfs/dbraw/zinc/88/15/24/386881524.db2.gz XRYKAJXDDQHASW-SSDOTTSWSA-N 0 0 229.305 2.467 20 5 BEBDRN C[C@H](NCc1ccon1)c1ccc([N+](=O)[O-])cc1 ZINC000094259811 386989228 /nfs/dbraw/zinc/98/92/28/386989228.db2.gz MJMHXNVMRSOWJZ-VIFPVBQESA-N 0 0 247.254 2.434 20 5 BEBDRN Cc1nc(N(C)CC2CC2)ccc1[N+](=O)[O-] ZINC000268536693 387022318 /nfs/dbraw/zinc/02/23/18/387022318.db2.gz YICFLXHHLBGBGL-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1C[C@@H](F)[C@@H](F)C1 ZINC000295040257 387102369 /nfs/dbraw/zinc/10/23/69/387102369.db2.gz SQQSCLKULMFEDE-OCAPTIKFSA-N 0 0 228.198 2.091 20 5 BEBDRN Cc1nc(N(C)CC(C)(C)C)ncc1[N+](=O)[O-] ZINC000295527157 387275623 /nfs/dbraw/zinc/27/56/23/387275623.db2.gz NAVUSGYAEXSJOM-UHFFFAOYSA-N 0 0 238.291 2.176 20 5 BEBDRN CC(C)C(=O)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000269329119 387318466 /nfs/dbraw/zinc/31/84/66/387318466.db2.gz HTFHATISXJFQRF-UHFFFAOYSA-N 0 0 241.218 2.338 20 5 BEBDRN CC[C@@H](F)Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000440604671 387377452 /nfs/dbraw/zinc/37/74/52/387377452.db2.gz WQQKVGIPYNQURS-SSDOTTSWSA-N 0 0 248.641 2.158 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2ncn(CC3CC3)n2)cc1 ZINC000129974654 387329796 /nfs/dbraw/zinc/32/97/96/387329796.db2.gz OFGHSWIIAGHKOP-UHFFFAOYSA-N 0 0 244.254 2.263 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1CC2(C1)CCCC2 ZINC000361000705 387385574 /nfs/dbraw/zinc/38/55/74/387385574.db2.gz CNZPXOXGIGMTPV-UHFFFAOYSA-N 0 0 233.271 2.370 20 5 BEBDRN O=[N+]([O-])c1ccnn1CC12CCC(CC1)C2 ZINC000295728846 387385826 /nfs/dbraw/zinc/38/58/26/387385826.db2.gz LTZJAEVTROABRF-UHFFFAOYSA-N 0 0 221.260 2.372 20 5 BEBDRN CC[C@H]1C(=O)N(c2cccc([N+](=O)[O-])c2)N=C1C ZINC000103316165 387391362 /nfs/dbraw/zinc/39/13/62/387391362.db2.gz GGRQHYCEYVVHDG-LLVKDONJSA-N 0 0 247.254 2.344 20 5 BEBDRN CC(C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000269788422 387494682 /nfs/dbraw/zinc/49/46/82/387494682.db2.gz FBOFDFMCSJDVCB-QMMMGPOBSA-N 0 0 239.275 2.087 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCCn2cccc2)n1 ZINC000268844226 387503124 /nfs/dbraw/zinc/50/31/24/387503124.db2.gz WLMJVNIRSGEBFW-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC1 ZINC000138264926 387593479 /nfs/dbraw/zinc/59/34/79/387593479.db2.gz MEASYAVPOMDMMN-UHFFFAOYSA-N 0 0 240.646 2.094 20 5 BEBDRN Cc1cnc(N2C[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000267602251 387648427 /nfs/dbraw/zinc/64/84/27/387648427.db2.gz FPPJTJHTKDZAEB-NXEZZACHSA-N 0 0 235.287 2.390 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC(F)F)c(F)c1 ZINC000075060069 387691949 /nfs/dbraw/zinc/69/19/49/387691949.db2.gz VDUZDNWPBRCBEY-UHFFFAOYSA-N 0 0 220.150 2.411 20 5 BEBDRN C[C@H](NCc1c[nH]cn1)c1ccccc1[N+](=O)[O-] ZINC000088750578 387722998 /nfs/dbraw/zinc/72/29/98/387722998.db2.gz QBIIHLJNAXDOQO-VIFPVBQESA-N 0 0 246.270 2.169 20 5 BEBDRN Cc1cnc(N2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000267685401 387728019 /nfs/dbraw/zinc/72/80/19/387728019.db2.gz PWZQFEYNHBFJLR-SECBINFHSA-N 0 0 221.260 2.287 20 5 BEBDRN CCN(CC(C)C)c1ncccc1[N+](=O)[O-] ZINC000192807091 387886325 /nfs/dbraw/zinc/88/63/25/387886325.db2.gz DPESFEXAPOTTOB-UHFFFAOYSA-N 0 0 223.276 2.472 20 5 BEBDRN CSCCOc1ccc(F)cc1[N+](=O)[O-] ZINC000179703575 387928227 /nfs/dbraw/zinc/92/82/27/387928227.db2.gz UWIYJMWURKRJHS-UHFFFAOYSA-N 0 0 231.248 2.476 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(N2CCC2)c(F)c1 ZINC000269600489 387940548 /nfs/dbraw/zinc/94/05/48/387940548.db2.gz ADUSMYVVXVPDLS-UHFFFAOYSA-N 0 0 214.171 2.083 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@H](C)C[C@H](C)O ZINC000228133796 387993160 /nfs/dbraw/zinc/99/31/60/387993160.db2.gz VZQLTUYYIGXSSH-ZJUUUORDSA-N 0 0 238.287 2.475 20 5 BEBDRN C[C@@H](CNc1ccncc1[N+](=O)[O-])CC(F)F ZINC000591965976 388144710 /nfs/dbraw/zinc/14/47/10/388144710.db2.gz VSKPPXAHKDDYFM-SSDOTTSWSA-N 0 0 245.229 2.115 20 5 BEBDRN CCCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000518289181 256565942 /nfs/dbraw/zinc/56/59/42/256565942.db2.gz UZBVYDMTUUQCSV-SECBINFHSA-N 0 0 236.271 2.225 20 5 BEBDRN CCc1cnn(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000521068290 256567995 /nfs/dbraw/zinc/56/79/95/256567995.db2.gz SPNSVRKQZCNANR-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN O=C(/C=C\c1ccccc1[N+](=O)[O-])NC1CCC1 ZINC000491333926 388349766 /nfs/dbraw/zinc/34/97/66/388349766.db2.gz IFJYFKDJLBJTMM-HJWRWDBZSA-N 0 0 246.266 2.277 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](C)c2nc[nH]n2)c1 ZINC000226500978 388351674 /nfs/dbraw/zinc/35/16/74/388351674.db2.gz LVCJIIAQWNTLPP-MRVPVSSYSA-N 0 0 247.258 2.194 20 5 BEBDRN CC(C)(C)OCCNc1ncccc1[N+](=O)[O-] ZINC000308535033 388362574 /nfs/dbraw/zinc/36/25/74/388362574.db2.gz XOULRQNGHNGJDR-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000132605775 388363856 /nfs/dbraw/zinc/36/38/56/388363856.db2.gz QGKJKLCVJFOSRH-UHFFFAOYSA-N 0 0 225.175 2.049 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1OCCC1(O)CC1 ZINC000442859957 388367160 /nfs/dbraw/zinc/36/71/60/388367160.db2.gz YFAUKHYFDHMIHQ-UHFFFAOYSA-N 0 0 241.218 2.028 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H]1C ZINC000076032868 388369768 /nfs/dbraw/zinc/36/97/68/388369768.db2.gz FFKQPYMNKOVKDP-PSASIEDQSA-N 0 0 249.270 2.433 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2(CO)CCC2)c(F)c1 ZINC000133022320 388375625 /nfs/dbraw/zinc/37/56/25/388375625.db2.gz PYZGGINHPDZWMS-UHFFFAOYSA-N 0 0 240.234 2.061 20 5 BEBDRN CO[C@@H](C)COc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000519619229 256653099 /nfs/dbraw/zinc/65/30/99/256653099.db2.gz UKMQRBNXQMBPCF-ZETCQYMHSA-N 0 0 240.259 2.020 20 5 BEBDRN CC[C@H](C)CN(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595316468 388381492 /nfs/dbraw/zinc/38/14/92/388381492.db2.gz GKJBBAYTJILEHH-QMMMGPOBSA-N 0 0 241.291 2.369 20 5 BEBDRN Cc1ccc(NCCCCCO)c([N+](=O)[O-])c1 ZINC000228724565 388387825 /nfs/dbraw/zinc/38/78/25/388387825.db2.gz WPEIPUYUQVTXII-UHFFFAOYSA-N 0 0 238.287 2.478 20 5 BEBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000008356951 388403419 /nfs/dbraw/zinc/40/34/19/388403419.db2.gz NPAXXKKKOPRCET-MRVPVSSYSA-N 0 0 234.255 2.123 20 5 BEBDRN COC[C@H](C)N(C)c1ccc(C)cc1[N+](=O)[O-] ZINC000175023622 388445332 /nfs/dbraw/zinc/44/53/32/388445332.db2.gz YLFINWLHEFEIKR-JTQLQIEISA-N 0 0 238.287 2.374 20 5 BEBDRN C[C@@H](O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000194945865 388457735 /nfs/dbraw/zinc/45/77/35/388457735.db2.gz JOENUFLDROUHMY-ZCFIWIBFSA-N 0 0 231.635 2.008 20 5 BEBDRN CSC1(CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000193850147 388467265 /nfs/dbraw/zinc/46/72/65/388467265.db2.gz IXHGMUYGGFVBDI-UHFFFAOYSA-N 0 0 245.329 2.359 20 5 BEBDRN Cc1cc(N2CC[C@@H]2C(F)F)ncc1[N+](=O)[O-] ZINC000596249001 388410036 /nfs/dbraw/zinc/41/00/36/388410036.db2.gz OUCOZDMUQNTCCC-SSDOTTSWSA-N 0 0 243.213 2.142 20 5 BEBDRN Cc1ccnc(N2CC[C@H]2C(F)F)c1[N+](=O)[O-] ZINC000596248905 388410191 /nfs/dbraw/zinc/41/01/91/388410191.db2.gz OAPUNPCUCNFQCY-ZETCQYMHSA-N 0 0 243.213 2.142 20 5 BEBDRN CN(CC1CCC1)c1ccc([N+](=O)[O-])cn1 ZINC000301230879 388501836 /nfs/dbraw/zinc/50/18/36/388501836.db2.gz FJDCOMFCZMJHJW-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN CCN(CC(F)F)c1cc(C)c([N+](=O)[O-])cn1 ZINC000273378675 388598486 /nfs/dbraw/zinc/59/84/86/388598486.db2.gz YOPFPMGCZSONBY-UHFFFAOYSA-N 0 0 245.229 2.390 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@]3(CCOC3)C2)cc1 ZINC000301614745 388614013 /nfs/dbraw/zinc/61/40/13/388614013.db2.gz UQXIETSEFAWVMD-CYBMUJFWSA-N 0 0 248.282 2.212 20 5 BEBDRN O=[N+]([O-])c1ccc(CSCCCO)c(F)c1 ZINC000298405483 388579786 /nfs/dbraw/zinc/57/97/86/388579786.db2.gz VXXLDFCHMBMOAD-UHFFFAOYSA-N 0 0 245.275 2.350 20 5 BEBDRN O=C(CC1CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000298843492 388670356 /nfs/dbraw/zinc/67/03/56/388670356.db2.gz DMLUVOZRLHHKEW-UHFFFAOYSA-N 0 0 234.255 2.011 20 5 BEBDRN CC(C)C(=O)COc1ccc([N+](=O)[O-])cc1F ZINC000113418969 388674812 /nfs/dbraw/zinc/67/48/12/388674812.db2.gz NGLBUCCKVZVBLG-UHFFFAOYSA-N 0 0 241.218 2.338 20 5 BEBDRN CC1(C)C[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000298937753 388675993 /nfs/dbraw/zinc/67/59/93/388675993.db2.gz FOAIAUSVLLKALL-NSHDSACASA-N 0 0 248.282 2.052 20 5 BEBDRN Cc1cc(C(=O)N[C@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000298918843 388676766 /nfs/dbraw/zinc/67/67/66/388676766.db2.gz BMWFBUGGYRGRGT-NSHDSACASA-N 0 0 248.282 2.432 20 5 BEBDRN CC(C)[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298974716 388678418 /nfs/dbraw/zinc/67/84/18/388678418.db2.gz OJXAFHUNGMMBJX-QMMMGPOBSA-N 0 0 239.275 2.039 20 5 BEBDRN C[C@@H](CCO)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000078580527 388682779 /nfs/dbraw/zinc/68/27/79/388682779.db2.gz ATQYECBHEMKFAP-QMMMGPOBSA-N 0 0 242.250 2.164 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2(O)CCC2)c(F)c1 ZINC000078601595 388683018 /nfs/dbraw/zinc/68/30/18/388683018.db2.gz UXZUOTINBCSDDT-UHFFFAOYSA-N 0 0 240.234 2.061 20 5 BEBDRN CCC[C@H](C)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000273620284 388620136 /nfs/dbraw/zinc/62/01/36/388620136.db2.gz OKZBOBAOOPOQCJ-QMMMGPOBSA-N 0 0 224.264 2.010 20 5 BEBDRN CSCCN(C)c1ccc([N+](=O)[O-])c(C)n1 ZINC000301630896 388643716 /nfs/dbraw/zinc/64/37/16/388643716.db2.gz CLOGICRPNHWOIA-UHFFFAOYSA-N 0 0 241.316 2.097 20 5 BEBDRN CC1(C)SC[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000276242229 388737926 /nfs/dbraw/zinc/73/79/26/388737926.db2.gz AEKHFOZTYITARO-MRVPVSSYSA-N 0 0 239.300 2.296 20 5 BEBDRN Cc1nnc(COc2cccc(C)c2[N+](=O)[O-])o1 ZINC000123988811 388738252 /nfs/dbraw/zinc/73/82/52/388738252.db2.gz XOBNBYVDXQUJII-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CC1(C)SC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000276242232 388738286 /nfs/dbraw/zinc/73/82/86/388738286.db2.gz AEKHFOZTYITARO-QMMMGPOBSA-N 0 0 239.300 2.296 20 5 BEBDRN C/C=C\CSCCn1cc([N+](=O)[O-])cn1 ZINC000448078595 388739186 /nfs/dbraw/zinc/73/91/86/388739186.db2.gz UUAZTRNJNIRUSK-IHWYPQMZSA-N 0 0 227.289 2.101 20 5 BEBDRN C[C@H](CO)SCCc1ccc([N+](=O)[O-])cc1 ZINC000079086265 388691189 /nfs/dbraw/zinc/69/11/89/388691189.db2.gz MNNITNFRXHWQJP-SECBINFHSA-N 0 0 241.312 2.251 20 5 BEBDRN C[C@@H](CO)SCc1c(F)cccc1[N+](=O)[O-] ZINC000079102068 388693075 /nfs/dbraw/zinc/69/30/75/388693075.db2.gz ZDQLHIUZRRKXSL-ZETCQYMHSA-N 0 0 245.275 2.348 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC1 ZINC000067125186 388694354 /nfs/dbraw/zinc/69/43/54/388694354.db2.gz AXIBHTLCKNTIIY-UHFFFAOYSA-N 0 0 234.255 2.139 20 5 BEBDRN CC1(C)C[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000299172290 388712145 /nfs/dbraw/zinc/71/21/45/388712145.db2.gz WAEFEQIZFXCOSV-SSDOTTSWSA-N 0 0 240.284 2.185 20 5 BEBDRN Cc1cnc(N2CCC23CCC3)c([N+](=O)[O-])c1 ZINC000426902342 388713617 /nfs/dbraw/zinc/71/36/17/388713617.db2.gz FLIVFVZWSRERBX-UHFFFAOYSA-N 0 0 233.271 2.431 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N1[C@H](C)C[C@H]1C ZINC000530431589 388713886 /nfs/dbraw/zinc/71/38/86/388713886.db2.gz DXSDHKAGHBKHDD-HTQZYQBOSA-N 0 0 238.291 2.107 20 5 BEBDRN Cc1cc(N2CCC23CCC3)ncc1[N+](=O)[O-] ZINC000426896194 388713890 /nfs/dbraw/zinc/71/38/90/388713890.db2.gz ACRBLIUFBBXSBE-UHFFFAOYSA-N 0 0 233.271 2.431 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@@H](C3CC3)C2)s1 ZINC000374419128 388714620 /nfs/dbraw/zinc/71/46/20/388714620.db2.gz ZBKKZJRNKDIZBB-MRVPVSSYSA-N 0 0 239.300 2.288 20 5 BEBDRN Cc1c(C(=O)NCCC2CC2)cccc1[N+](=O)[O-] ZINC000081020237 388715889 /nfs/dbraw/zinc/71/58/89/388715889.db2.gz OIJJUXGOARQJSK-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC1 ZINC000299205880 388717964 /nfs/dbraw/zinc/71/79/64/388717964.db2.gz BYOJYQHHQXZOCI-UHFFFAOYSA-N 0 0 246.222 2.187 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC3CCC2CC3)s1 ZINC000375601332 388719443 /nfs/dbraw/zinc/71/94/43/388719443.db2.gz YCBDZWBDOLQPGT-UHFFFAOYSA-N 0 0 239.300 2.430 20 5 BEBDRN Cc1conc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000123532562 388732812 /nfs/dbraw/zinc/73/28/12/388732812.db2.gz AVLIIDIBQWIRLU-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCCC(C)(C)O)c1 ZINC000274782032 388732817 /nfs/dbraw/zinc/73/28/17/388732817.db2.gz PIXQROWPTHKWIN-UHFFFAOYSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cn(CCOc2ccccc2)nc1[N+](=O)[O-] ZINC000281173943 388794109 /nfs/dbraw/zinc/79/41/09/388794109.db2.gz MSRWQYWLKXYKHQ-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN CC[C@@H](CO)Nc1c(C)cccc1[N+](=O)[O-] ZINC000125714132 388803455 /nfs/dbraw/zinc/80/34/55/388803455.db2.gz VTDASERNQYDDBW-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2CC(F)(F)C2)s1 ZINC000281857289 388808949 /nfs/dbraw/zinc/80/89/49/388808949.db2.gz JXDVGCVPPLZFRG-UHFFFAOYSA-N 0 0 235.215 2.261 20 5 BEBDRN O=[N+]([O-])c1cccc(OC[C@H]2CCOC2)c1 ZINC000330802661 388760981 /nfs/dbraw/zinc/76/09/81/388760981.db2.gz JVVDAQDXUYLNLQ-VIFPVBQESA-N 0 0 223.228 2.010 20 5 BEBDRN CC[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000130569629 388812855 /nfs/dbraw/zinc/81/28/55/388812855.db2.gz VPIAZHJULBVCPX-JTQLQIEISA-N 0 0 248.282 2.467 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2CCC2)cc1CO ZINC000332040306 388783243 /nfs/dbraw/zinc/78/32/43/388783243.db2.gz XTZLLQASFJVWLU-UHFFFAOYSA-N 0 0 223.228 2.018 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NCCF ZINC000280714056 388785218 /nfs/dbraw/zinc/78/52/18/388785218.db2.gz HZTQTVIQEMYYGN-UHFFFAOYSA-N 0 0 202.160 2.115 20 5 BEBDRN C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCF ZINC000281019333 388789615 /nfs/dbraw/zinc/78/96/15/388789615.db2.gz MDSFLSBCWWLKQV-JTQLQIEISA-N 0 0 240.278 2.475 20 5 BEBDRN CC(C)(C)CCn1cccc([N+](=O)[O-])c1=O ZINC000284404258 388828248 /nfs/dbraw/zinc/82/82/48/388828248.db2.gz ZWVIRBXRTYCOLH-UHFFFAOYSA-N 0 0 224.260 2.193 20 5 BEBDRN C[C@@H](CCCO)Nc1sccc1[N+](=O)[O-] ZINC000302023350 388836371 /nfs/dbraw/zinc/83/63/71/388836371.db2.gz OYMMEOKSHTUDLI-ZETCQYMHSA-N 0 0 230.289 2.229 20 5 BEBDRN O=[N+]([O-])c1cnc(N2C[C@H]3CCCC[C@@H]3C2)nc1 ZINC000302092268 388837058 /nfs/dbraw/zinc/83/70/58/388837058.db2.gz HMSAUVJLNWWGLY-NXEZZACHSA-N 0 0 248.286 2.011 20 5 BEBDRN C[C@@H](O)C[C@@H](C)CNc1sccc1[N+](=O)[O-] ZINC000302045487 388838061 /nfs/dbraw/zinc/83/80/61/388838061.db2.gz XYFUNSBTDKIDLH-HTQZYQBOSA-N 0 0 244.316 2.475 20 5 BEBDRN C[C@H](CCC1CC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000302218811 388840096 /nfs/dbraw/zinc/84/00/96/388840096.db2.gz LHQYLRDKFLNJAU-MRVPVSSYSA-N 0 0 236.275 2.375 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N1CCSCC1 ZINC000301206909 132251732 /nfs/dbraw/zinc/25/17/32/132251732.db2.gz ZOPITWNDSHTJBD-UHFFFAOYSA-N 0 0 238.312 2.456 20 5 BEBDRN CC(C)C(C)(C)CNc1ncc([N+](=O)[O-])cn1 ZINC000218918405 166742469 /nfs/dbraw/zinc/74/24/69/166742469.db2.gz YOMNGBIFKNIFDR-UHFFFAOYSA-N 0 0 238.291 2.479 20 5 BEBDRN C[C@H]1OCCN(c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000268788090 132192760 /nfs/dbraw/zinc/19/27/60/132192760.db2.gz FMDLUIKDNRXGHK-NXEZZACHSA-N 0 0 236.271 2.208 20 5 BEBDRN CC1=CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000270017145 132195552 /nfs/dbraw/zinc/19/55/52/132195552.db2.gz CLYSZCAFGSSKCA-UHFFFAOYSA-N 0 0 219.244 2.146 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000270884227 132197993 /nfs/dbraw/zinc/19/79/93/132197993.db2.gz FGNFPLRLIMUYIF-NXEZZACHSA-N 0 0 235.287 2.472 20 5 BEBDRN C[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[C@@H]1C ZINC000270988077 132198385 /nfs/dbraw/zinc/19/83/85/132198385.db2.gz UAGUQGKWAFESSO-UWVGGRQHSA-N 0 0 235.287 2.472 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000271678406 132199404 /nfs/dbraw/zinc/19/94/04/132199404.db2.gz YLVIRVBMXRRTSW-QWHCGFSZSA-N 0 0 248.282 2.353 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCOC[C@H]2C2CC2)cc1 ZINC000273445648 132201940 /nfs/dbraw/zinc/20/19/40/132201940.db2.gz DXTWQFIIVDFRDV-ZDUSSCGKSA-N 0 0 248.282 2.210 20 5 BEBDRN C[C@@H]1[C@@H](C)CCCN1c1ncc([N+](=O)[O-])cn1 ZINC000273658613 132202155 /nfs/dbraw/zinc/20/21/55/132202155.db2.gz VSRAOBHDPIIKQJ-DTWKUNHWSA-N 0 0 236.275 2.010 20 5 BEBDRN C[C@@H]1CC[C@H](C)N(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273633128 132202163 /nfs/dbraw/zinc/20/21/63/132202163.db2.gz QPTYJZSUUQHKLZ-BDAKNGLRSA-N 0 0 236.275 2.010 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2CCC=C(F)C2)c1 ZINC000282252823 132211925 /nfs/dbraw/zinc/21/19/25/132211925.db2.gz RLMURTXHECOHEZ-UHFFFAOYSA-N 0 0 237.234 2.241 20 5 BEBDRN Cc1cc(N2CCCCN2)ccc1[N+](=O)[O-] ZINC000288821322 132307366 /nfs/dbraw/zinc/30/73/66/132307366.db2.gz AUCYVTVBRHZSSQ-UHFFFAOYSA-N 0 0 221.260 2.008 20 5 BEBDRN C[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000067949470 132346360 /nfs/dbraw/zinc/34/63/60/132346360.db2.gz XDESNURPNVIJRI-VIFPVBQESA-N 0 0 221.260 2.226 20 5 BEBDRN C[C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000067949469 132346492 /nfs/dbraw/zinc/34/64/92/132346492.db2.gz XDESNURPNVIJRI-SECBINFHSA-N 0 0 221.260 2.226 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCCCC2)c(F)c1 ZINC000408466670 133500508 /nfs/dbraw/zinc/50/05/08/133500508.db2.gz JNLHFDQYCRUJEU-UHFFFAOYSA-N 0 0 225.223 2.119 20 5 BEBDRN O=[N+]([O-])c1cccc(OCc2cnns2)c1 ZINC000352160757 134090027 /nfs/dbraw/zinc/09/00/27/134090027.db2.gz OYFVPNPKPNGVDB-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN O=[N+]([O-])c1cnn(Cc2ccc3c(c2)CCC3)c1 ZINC000172129393 134262287 /nfs/dbraw/zinc/26/22/87/134262287.db2.gz GDAMXUYPYTZPBN-UHFFFAOYSA-N 0 0 243.266 2.328 20 5 BEBDRN Cc1cccc(N[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000218870569 134265468 /nfs/dbraw/zinc/26/54/68/134265468.db2.gz ASKIOCDHWWXIMY-VIFPVBQESA-N 0 0 222.244 2.104 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCc2ccco2)s1 ZINC000226770483 134371016 /nfs/dbraw/zinc/37/10/16/134371016.db2.gz LDLGMEBBZAGNGA-UHFFFAOYSA-N 0 0 239.256 2.299 20 5 BEBDRN Cc1cc(N[C@@H](C)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000228133950 134408904 /nfs/dbraw/zinc/40/89/04/134408904.db2.gz TYNLLDHQLVRBHE-UWVGGRQHSA-N 0 0 238.287 2.475 20 5 BEBDRN O=[N+]([O-])c1ccc(SCC2CC2)nc1 ZINC000159623381 134783910 /nfs/dbraw/zinc/78/39/10/134783910.db2.gz XGPVUZNHHPDPGL-UHFFFAOYSA-N 0 0 210.258 2.492 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCc2cccnn2)c1 ZINC000235914760 134816794 /nfs/dbraw/zinc/81/67/94/134816794.db2.gz VVNIEMOQNKQAOD-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1ccc(NC(=O)c2ccon2)cc1[N+](=O)[O-] ZINC000067703941 134891880 /nfs/dbraw/zinc/89/18/80/134891880.db2.gz KDWNHZLUHKLOIL-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN O=[N+]([O-])c1cn(Cc2ccc(F)c(F)c2)cn1 ZINC000073921175 134941142 /nfs/dbraw/zinc/94/11/42/134941142.db2.gz FWWNIHRWOVDNEV-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN Cc1ccc(OC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000078353696 135119475 /nfs/dbraw/zinc/11/94/75/135119475.db2.gz MKHBJQKSRORKLN-SNVBAGLBSA-N 0 0 237.255 2.461 20 5 BEBDRN C[C@@H]1CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000334381278 135379577 /nfs/dbraw/zinc/37/95/77/135379577.db2.gz JHTSJMJVZXNQNC-RQJHMYQMSA-N 0 0 240.284 2.185 20 5 BEBDRN CC(C)[C@H](C)CNc1ncc([N+](=O)[O-])cn1 ZINC000081070195 135385975 /nfs/dbraw/zinc/38/59/75/135385975.db2.gz GBIIOTCRFRUCDY-MRVPVSSYSA-N 0 0 224.264 2.089 20 5 BEBDRN CCC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000075282625 135390707 /nfs/dbraw/zinc/39/07/07/135390707.db2.gz MOZWNJNDWNIIMB-UHFFFAOYSA-N 0 0 208.217 2.252 20 5 BEBDRN C[C@H](C[C@H](C)O)Nc1ccc([N+](=O)[O-])cc1 ZINC000164916837 135453160 /nfs/dbraw/zinc/45/31/60/135453160.db2.gz LGWVDDKDKGNLSZ-BDAKNGLRSA-N 0 0 224.260 2.166 20 5 BEBDRN Cc1nc(N[C@@H]2C[C@@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000343820134 135700301 /nfs/dbraw/zinc/70/03/01/135700301.db2.gz WXKDWRULFDKCAH-NKWVEPMBSA-N 0 0 243.213 2.364 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CC2)C1 ZINC000334855945 135824796 /nfs/dbraw/zinc/82/47/96/135824796.db2.gz KPMIXZQSTQQCJS-UHFFFAOYSA-N 0 0 246.266 2.139 20 5 BEBDRN CN(C(=O)[C@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000334999757 135862281 /nfs/dbraw/zinc/86/22/81/135862281.db2.gz LZECJOVREHUHJF-LLVKDONJSA-N 0 0 246.266 2.358 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@H]1C[C@H]1C(F)F ZINC000348229347 136060309 /nfs/dbraw/zinc/06/03/09/136060309.db2.gz XJZOADJKNHVCHO-RITPCOANSA-N 0 0 229.186 2.055 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]2C(F)F)s1 ZINC000348231256 136060882 /nfs/dbraw/zinc/06/08/82/136060882.db2.gz YVEZGXQTCSYAOL-QWWZWVQMSA-N 0 0 235.215 2.117 20 5 BEBDRN O=c1c(F)cc([N+](=O)[O-])cn1[C@@H]1C=CCCC1 ZINC000335340437 136064057 /nfs/dbraw/zinc/06/40/57/136064057.db2.gz BVRGATSSFAYENA-MRVPVSSYSA-N 0 0 238.218 2.177 20 5 BEBDRN O=c1c2cccc([N+](=O)[O-])c2ccn1CC1CC1 ZINC000335345801 136066422 /nfs/dbraw/zinc/06/64/22/136066422.db2.gz ZNAAMMDSKBDYPY-UHFFFAOYSA-N 0 0 244.250 2.320 20 5 BEBDRN C[C@H]1CC[C@H](n2cc([N+](=O)[O-])cc(F)c2=O)C1 ZINC000335357971 136075060 /nfs/dbraw/zinc/07/50/60/136075060.db2.gz GVKCIPORTYMWIP-YUMQZZPRSA-N 0 0 240.234 2.257 20 5 BEBDRN Cc1cnc(NC(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000348477676 136080092 /nfs/dbraw/zinc/08/00/92/136080092.db2.gz QVZHNGSAZFRVMY-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN Cc1cccc(N2CC[C@H](F)C2)c1[N+](=O)[O-] ZINC000335399775 136093959 /nfs/dbraw/zinc/09/39/59/136093959.db2.gz PMCDOYYWFHGBQW-VIFPVBQESA-N 0 0 224.235 2.451 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000335566231 136107977 /nfs/dbraw/zinc/10/79/77/136107977.db2.gz DNHLBOAFJRBMEV-UHFFFAOYSA-N 0 0 234.255 2.104 20 5 BEBDRN C[C@H](O)C(C)(C)Nc1ccccc1[N+](=O)[O-] ZINC000160570329 397770842 /nfs/dbraw/zinc/77/08/42/397770842.db2.gz VXYFHDQMIPUWAL-QMMMGPOBSA-N 0 0 224.260 2.166 20 5 BEBDRN Cc1cc(CNCc2cccc([N+](=O)[O-])c2)no1 ZINC000044692478 398129618 /nfs/dbraw/zinc/12/96/18/398129618.db2.gz ZZBJGXDMHCEPIM-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN CC(C)CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054126662 166999394 /nfs/dbraw/zinc/99/93/94/166999394.db2.gz WUQQWXRYPQFGNF-UHFFFAOYSA-N 0 0 240.234 2.120 20 5 BEBDRN CC(C)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000007521816 167091813 /nfs/dbraw/zinc/09/18/13/167091813.db2.gz GXYOXZHMBKGDJH-UHFFFAOYSA-N 0 0 239.300 2.290 20 5 BEBDRN Cc1nccn1/C=C/c1ccc([N+](=O)[O-])o1 ZINC001651882629 1173001267 /nfs/dbraw/zinc/00/12/67/1173001267.db2.gz YTDDPFJSEHLYBS-GQCTYLIASA-N 0 0 219.200 2.321 20 5 BEBDRN CC(C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000033285290 167036374 /nfs/dbraw/zinc/03/63/74/167036374.db2.gz KTPFDKIZPSQIEE-SREVYHEPSA-N 0 0 234.255 2.133 20 5 BEBDRN CC(C)NC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000050037174 167085586 /nfs/dbraw/zinc/08/55/86/167085586.db2.gz VUVSIILPCXSRDO-UHFFFAOYSA-N 0 0 244.197 2.011 20 5 BEBDRN CC(C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000081563011 167086638 /nfs/dbraw/zinc/08/66/38/167086638.db2.gz KGLXONGMDWUQIS-UHFFFAOYSA-N 0 0 242.662 2.386 20 5 BEBDRN CC(C)OCCNc1ccccc1[N+](=O)[O-] ZINC000134054519 167247485 /nfs/dbraw/zinc/24/74/85/167247485.db2.gz STAJYXSRPGIZRK-UHFFFAOYSA-N 0 0 224.260 2.432 20 5 BEBDRN CC(C)[C@@H](CCO)Nc1ccccc1[N+](=O)[O-] ZINC000229941660 167393030 /nfs/dbraw/zinc/39/30/30/167393030.db2.gz VFQLLWHVTMYVTH-SNVBAGLBSA-N 0 0 238.287 2.414 20 5 BEBDRN C[C@@H](F)CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000356655487 411188507 /nfs/dbraw/zinc/18/85/07/411188507.db2.gz RDZPPJHQPPWWCW-ZCFIWIBFSA-N 0 0 246.263 2.134 20 5 BEBDRN CCN(c1ncccc1[N+](=O)[O-])C(C)C ZINC000112964998 411222128 /nfs/dbraw/zinc/22/21/28/411222128.db2.gz AYFKZYWUMFSEGU-UHFFFAOYSA-N 0 0 209.249 2.225 20 5 BEBDRN CC/C=C/CCn1cc(C)c([N+](=O)[O-])n1 ZINC000282379398 167847873 /nfs/dbraw/zinc/84/78/73/167847873.db2.gz YXPNRMBXEMMHSL-SNAWJCMRSA-N 0 0 209.249 2.456 20 5 BEBDRN CC[C@H](CO)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000290903784 411289534 /nfs/dbraw/zinc/28/95/34/411289534.db2.gz FLDSCFQAMSSWER-MRVPVSSYSA-N 0 0 242.250 2.225 20 5 BEBDRN CC1CC(NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000267702574 168140054 /nfs/dbraw/zinc/14/00/54/168140054.db2.gz MBMRVOWBMDMVRF-UHFFFAOYSA-N 0 0 248.282 2.052 20 5 BEBDRN CC1CC(Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000128901153 168148403 /nfs/dbraw/zinc/14/84/03/168148403.db2.gz RTTJOLPRPLOKBC-UHFFFAOYSA-N 0 0 207.233 2.200 20 5 BEBDRN CCC(=O)COc1cc(F)cc([N+](=O)[O-])c1 ZINC000135341779 168208731 /nfs/dbraw/zinc/20/87/31/168208731.db2.gz YDXCTDKVSJLVMY-UHFFFAOYSA-N 0 0 227.191 2.092 20 5 BEBDRN CCC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000282569354 168242863 /nfs/dbraw/zinc/24/28/63/168242863.db2.gz YTJCAJHBPDRAQM-UHFFFAOYSA-N 0 0 226.207 2.391 20 5 BEBDRN CCC(=O)OCc1ccc([N+](=O)[O-])c(C)c1 ZINC000181295875 168250311 /nfs/dbraw/zinc/25/03/11/168250311.db2.gz HJOVMMJPSAEAJV-UHFFFAOYSA-N 0 0 223.228 2.356 20 5 BEBDRN CCC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000309124602 168256345 /nfs/dbraw/zinc/25/63/45/168256345.db2.gz PBYUMPWVVWEFAJ-UHFFFAOYSA-N 0 0 208.217 2.229 20 5 BEBDRN CCC(C)(C)C(=O)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000295132913 168260133 /nfs/dbraw/zinc/26/01/33/168260133.db2.gz COZVKQNVGHUGQC-UHFFFAOYSA-N 0 0 239.275 2.105 20 5 BEBDRN CCNC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000289800943 170084232 /nfs/dbraw/zinc/08/42/32/170084232.db2.gz NIIIKHRBMLYUHF-UHFFFAOYSA-N 0 0 237.259 2.299 20 5 BEBDRN CCNc1ccc([N+](=O)[O-])cc1C(C)=O ZINC000285526093 170174104 /nfs/dbraw/zinc/17/41/04/170174104.db2.gz GZWQHWDFFYRBSM-UHFFFAOYSA-N 0 0 208.217 2.229 20 5 BEBDRN CCOC(=O)CSc1cccc([N+](=O)[O-])c1 ZINC000313450093 170230051 /nfs/dbraw/zinc/23/00/51/170230051.db2.gz ZEWUNFWZQLEVTB-UHFFFAOYSA-N 0 0 241.268 2.250 20 5 BEBDRN CCOC1CN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000293891354 170336822 /nfs/dbraw/zinc/33/68/22/170336822.db2.gz BYPLBIRFNHSAHJ-UHFFFAOYSA-N 0 0 236.271 2.128 20 5 BEBDRN CCOC1CN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000294241389 170337024 /nfs/dbraw/zinc/33/70/24/170337024.db2.gz WBEXWNJDEOYVDZ-UHFFFAOYSA-N 0 0 236.271 2.128 20 5 BEBDRN CCOCCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000081275216 170382991 /nfs/dbraw/zinc/38/29/91/170382991.db2.gz CZLIIBLZUMAOCK-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN CCOCCCOc1ccc([N+](=O)[O-])cc1 ZINC000125786832 170384088 /nfs/dbraw/zinc/38/40/88/170384088.db2.gz QLTQBDHYLILGJB-UHFFFAOYSA-N 0 0 225.244 2.400 20 5 BEBDRN CCOCCN(C)c1cccc(C)c1[N+](=O)[O-] ZINC000275456082 170392084 /nfs/dbraw/zinc/39/20/84/170392084.db2.gz LZQJPPZHMGHRAG-UHFFFAOYSA-N 0 0 238.287 2.376 20 5 BEBDRN CCOc1cc(NCCF)ccc1[N+](=O)[O-] ZINC000304126025 170525651 /nfs/dbraw/zinc/52/56/51/170525651.db2.gz KPYSQVRYNATDNK-UHFFFAOYSA-N 0 0 228.223 2.375 20 5 BEBDRN CC[C@@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000070249403 170747262 /nfs/dbraw/zinc/74/72/62/170747262.db2.gz OKNARIRTXNAWGN-SECBINFHSA-N 0 0 236.271 2.432 20 5 BEBDRN CC[C@@H](C)OC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000048265391 170760740 /nfs/dbraw/zinc/76/07/40/170760740.db2.gz VRKYEGNYYZSWOK-SSDOTTSWSA-N 0 0 238.243 2.132 20 5 BEBDRN CC[C@@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274023847 171003332 /nfs/dbraw/zinc/00/33/32/171003332.db2.gz WHLXMXSWPSGHSN-PSASIEDQSA-N 0 0 236.275 2.375 20 5 BEBDRN CC[C@@H]1CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000294082279 171021677 /nfs/dbraw/zinc/02/16/77/171021677.db2.gz QVEFWEDMLNBHSZ-SNVBAGLBSA-N 0 0 234.255 2.219 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000281891810 171141256 /nfs/dbraw/zinc/14/12/56/171141256.db2.gz WHFHRCSABZLNQH-LDYMZIIASA-N 0 0 234.255 2.123 20 5 BEBDRN CC[C@@](C)(CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000080882328 171171753 /nfs/dbraw/zinc/17/17/53/171171753.db2.gz ZLPJQTFEKQTAST-NSHDSACASA-N 0 0 224.260 2.168 20 5 BEBDRN CC[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1C ZINC000087029606 171185723 /nfs/dbraw/zinc/18/57/23/171185723.db2.gz COOBKYJCXRPCQI-GFCCVEGCSA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@H](C)COc1cccnc1[N+](=O)[O-] ZINC000154315828 171290915 /nfs/dbraw/zinc/29/09/15/171290915.db2.gz QXHHVBCTAUYHBB-QMMMGPOBSA-N 0 0 210.233 2.415 20 5 BEBDRN CC[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151271005 171328747 /nfs/dbraw/zinc/32/87/47/171328747.db2.gz NNUDOMHRJXIXFD-VIFPVBQESA-N 0 0 236.271 2.052 20 5 BEBDRN CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000027337994 171336856 /nfs/dbraw/zinc/33/68/56/171336856.db2.gz DUGNMEDEOSRFIR-LURJTMIESA-N 0 0 228.273 2.185 20 5 BEBDRN CC[C@H](O)CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000127243194 171562099 /nfs/dbraw/zinc/56/20/99/171562099.db2.gz TXZIWRBFXLNLDQ-VIFPVBQESA-N 0 0 242.250 2.307 20 5 BEBDRN CC[C@H]1CC[C@@H](C)N1c1c([N+](=O)[O-])ncn1C ZINC000271437938 171643023 /nfs/dbraw/zinc/64/30/23/171643023.db2.gz NYRVXPRGIDIMMV-BDAKNGLRSA-N 0 0 238.291 2.096 20 5 BEBDRN CCc1ccc(C(=O)N2CC(C)C2)cc1[N+](=O)[O-] ZINC000335726870 171784398 /nfs/dbraw/zinc/78/43/98/171784398.db2.gz CZTDZLNOQRGCHG-UHFFFAOYSA-N 0 0 248.282 2.249 20 5 BEBDRN CCc1nn(C)c(N[C@H]2CC[C@@H]2C)c1[N+](=O)[O-] ZINC000336718895 172039574 /nfs/dbraw/zinc/03/95/74/172039574.db2.gz VMVSXSSUGZKHQJ-CBAPKCEASA-N 0 0 238.291 2.101 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[C@H]1C ZINC000336730958 172136882 /nfs/dbraw/zinc/13/68/82/172136882.db2.gz YLMYNHOAILPYGK-VXNVDRBHSA-N 0 0 238.291 2.330 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NCC1CCC1 ZINC000288058510 172137075 /nfs/dbraw/zinc/13/70/75/172137075.db2.gz FTLXCIYLCFZBQD-UHFFFAOYSA-N 0 0 238.291 2.332 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1C[C@H]1C ZINC000288274693 172137923 /nfs/dbraw/zinc/13/79/23/172137923.db2.gz ZNSOGWFKIVSDKC-VXNVDRBHSA-N 0 0 238.291 2.188 20 5 BEBDRN CCn1cc(Nc2ncc([N+](=O)[O-])cc2C)cn1 ZINC000052812340 172188280 /nfs/dbraw/zinc/18/82/80/172188280.db2.gz XBLWNTXTLHCBOK-UHFFFAOYSA-N 0 0 247.258 2.258 20 5 BEBDRN CN(CC(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000296409323 172625356 /nfs/dbraw/zinc/62/53/56/172625356.db2.gz WMJIMBZTOVMZNN-UHFFFAOYSA-N 0 0 238.287 2.050 20 5 BEBDRN CN(C[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000263819656 172812919 /nfs/dbraw/zinc/81/29/19/172812919.db2.gz XFSMZMNFHWTMBE-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN COCCCCCn1nc(C)c([N+](=O)[O-])c1C ZINC000116609698 174188210 /nfs/dbraw/zinc/18/82/10/174188210.db2.gz WKHDCPOZKIHSDY-UHFFFAOYSA-N 0 0 241.291 2.225 20 5 BEBDRN COCCCCNc1ncc([N+](=O)[O-])cc1C ZINC000052812800 174204586 /nfs/dbraw/zinc/20/45/86/174204586.db2.gz UHHYJGOCYZWNMF-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN CO[C@@H](C)COc1cccc([N+](=O)[O-])c1C ZINC000180969271 174707943 /nfs/dbraw/zinc/70/79/43/174707943.db2.gz BAZWDRMTHRJBLH-QMMMGPOBSA-N 0 0 225.244 2.317 20 5 BEBDRN CO[C@H](C)COc1ccc(F)cc1[N+](=O)[O-] ZINC000180982178 174837798 /nfs/dbraw/zinc/83/77/98/174837798.db2.gz DFVLGKWWBNDOIA-SSDOTTSWSA-N 0 0 229.207 2.148 20 5 BEBDRN COc1cc(NC2CC2)c(F)cc1[N+](=O)[O-] ZINC000227857538 175001340 /nfs/dbraw/zinc/00/13/40/175001340.db2.gz OIPCUCMVQPGQGD-UHFFFAOYSA-N 0 0 226.207 2.317 20 5 BEBDRN COc1cc(NC[C@@H](C)OC)ccc1[N+](=O)[O-] ZINC000224316075 175002730 /nfs/dbraw/zinc/00/27/30/175002730.db2.gz ZPUZAJPUOBKZEK-MRVPVSSYSA-N 0 0 240.259 2.050 20 5 BEBDRN CSCCCNc1ncc([N+](=O)[O-])s1 ZINC000189686974 175488300 /nfs/dbraw/zinc/48/83/00/175488300.db2.gz VJQMDVMBDJWWPA-UHFFFAOYSA-N 0 0 233.318 2.216 20 5 BEBDRN CS[C@H](C)CNc1ncc(C)cc1[N+](=O)[O-] ZINC000159242591 175564328 /nfs/dbraw/zinc/56/43/28/175564328.db2.gz IMQKSIWGZSBWSH-MRVPVSSYSA-N 0 0 241.316 2.462 20 5 BEBDRN C[C@@H](CO)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000088389677 175744605 /nfs/dbraw/zinc/74/46/05/175744605.db2.gz VHHXJYDZKVDHLO-SSDOTTSWSA-N 0 0 244.678 2.289 20 5 BEBDRN C[C@@H](O)C[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000310189813 175766057 /nfs/dbraw/zinc/76/60/57/175766057.db2.gz XMHKKOUGZJVCFZ-JGVFFNPUSA-N 0 0 242.250 2.305 20 5 BEBDRN C[C@@H](NC(=O)C1=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000355833052 175826510 /nfs/dbraw/zinc/82/65/10/175826510.db2.gz QLFUBVPOUVHAEL-SECBINFHSA-N 0 0 246.266 2.492 20 5 BEBDRN C[C@@H](NCc1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000041014867 175897565 /nfs/dbraw/zinc/89/75/65/175897565.db2.gz LHPWASGXTVWEOB-SECBINFHSA-N 0 0 246.270 2.169 20 5 BEBDRN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000267693246 176261820 /nfs/dbraw/zinc/26/18/20/176261820.db2.gz FZQDNXAHKJQDCS-NXEZZACHSA-N 0 0 248.282 2.323 20 5 BEBDRN C[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000267574587 176321408 /nfs/dbraw/zinc/32/14/08/176321408.db2.gz ASZATMKQZGYSRZ-DTORHVGOSA-N 0 0 221.260 2.082 20 5 BEBDRN C[C@@H]1OCC[C@@H]1Sc1ccncc1[N+](=O)[O-] ZINC000361076312 176475222 /nfs/dbraw/zinc/47/52/22/176475222.db2.gz XNLLUERZADPWAT-CBAPKCEASA-N 0 0 240.284 2.259 20 5 BEBDRN C[C@H](CO)Sc1c(F)cc([N+](=O)[O-])cc1F ZINC000121744891 176709557 /nfs/dbraw/zinc/70/95/57/176709557.db2.gz WMZQZNNPCMIIFV-RXMQYKEDSA-N 0 0 249.238 2.346 20 5 BEBDRN C[C@H](c1noc(-c2cc([N+](=O)[O-])c[nH]2)n1)C1CC1 ZINC000357592730 177055532 /nfs/dbraw/zinc/05/55/32/177055532.db2.gz HFEVZJAPPNTDOP-LURJTMIESA-N 0 0 248.242 2.486 20 5 BEBDRN C[C@H]1CC2(CCC2)CN1c1ncc([N+](=O)[O-])cn1 ZINC000373018883 177067826 /nfs/dbraw/zinc/06/78/26/177067826.db2.gz MIPXGSUIRGNEJF-VIFPVBQESA-N 0 0 248.286 2.154 20 5 BEBDRN C[C@H]1CCCC[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000040454445 177083722 /nfs/dbraw/zinc/08/37/22/177083722.db2.gz FUTNEMMLECPIDJ-WPRPVWTQSA-N 0 0 236.275 2.375 20 5 BEBDRN C[C@H]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302077717 177105233 /nfs/dbraw/zinc/10/52/33/177105233.db2.gz AOSKYHRDDOOVBI-VIFPVBQESA-N 0 0 236.275 2.011 20 5 BEBDRN C[C@H]1CCCN1c1ccc([N+](=O)[O-])c2nonc21 ZINC000267712361 177111396 /nfs/dbraw/zinc/11/13/96/177111396.db2.gz TXFUICRAZZZAJF-ZETCQYMHSA-N 0 0 248.242 2.120 20 5 BEBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)[C@H]1C ZINC000267602139 177171219 /nfs/dbraw/zinc/17/12/19/177171219.db2.gz FOJFUEKQMPPZLF-IUCAKERBSA-N 0 0 221.260 2.225 20 5 BEBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000294281527 177227618 /nfs/dbraw/zinc/22/76/18/177227618.db2.gz UIWVXGJQSRECPI-IUCAKERBSA-N 0 0 234.255 2.075 20 5 BEBDRN C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000294052451 177227840 /nfs/dbraw/zinc/22/78/40/177227840.db2.gz KOVRZDVHLOCOOC-IUCAKERBSA-N 0 0 234.255 2.075 20 5 BEBDRN C[C@H]1C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000298428293 177380729 /nfs/dbraw/zinc/38/07/29/177380729.db2.gz UPUHRWCRLWUALL-BQBZGAKWSA-N 0 0 240.284 2.042 20 5 BEBDRN C[C@H]1OCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000147763089 177403245 /nfs/dbraw/zinc/40/32/45/177403245.db2.gz CWCNMNOQYDRTST-XCBNKYQSSA-N 0 0 240.234 2.323 20 5 BEBDRN C[C@](O)(CNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000310151425 177451411 /nfs/dbraw/zinc/45/14/11/177451411.db2.gz PEMMSYQOMJPLHM-LBPRGKRZSA-N 0 0 236.271 2.168 20 5 BEBDRN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401879738 322938499 /nfs/dbraw/zinc/93/84/99/322938499.db2.gz NMBAVEXOCOXOHY-WCBMZHEXSA-N 0 0 222.244 2.184 20 5 BEBDRN Cc1cccc(Cn2ccc(=O)c([N+](=O)[O-])c2)c1 ZINC000174100693 229375808 /nfs/dbraw/zinc/37/58/08/229375808.db2.gz JINXSFSXQBBEJB-UHFFFAOYSA-N 0 0 244.250 2.113 20 5 BEBDRN CC[C@H](Nc1ccc(C)cc1[N+](=O)[O-])[C@@H](C)O ZINC000395350221 262787215 /nfs/dbraw/zinc/78/72/15/262787215.db2.gz HBUMDKLFCCTKFZ-ZJUUUORDSA-N 0 0 238.287 2.475 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2=CCOCC2)cc1 ZINC000397862066 262938392 /nfs/dbraw/zinc/93/83/92/262938392.db2.gz YDZSUFPWJIRXAC-UHFFFAOYSA-N 0 0 234.255 2.353 20 5 BEBDRN CC(C)CCC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851122413 588592154 /nfs/dbraw/zinc/59/21/54/588592154.db2.gz CHLVSXVAMLKADT-UHFFFAOYSA-N 0 0 217.265 2.021 20 5 BEBDRN CC[C@H](CC(C)C)C(=O)OCCC[N+](=O)[O-] ZINC000860918755 643356307 /nfs/dbraw/zinc/35/63/07/643356307.db2.gz DXTPXBPQXLIITA-SNVBAGLBSA-N 0 0 231.292 2.269 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(OCCCF)c1C ZINC000566498932 323003374 /nfs/dbraw/zinc/00/33/74/323003374.db2.gz QLWMFMVORMPGKT-UHFFFAOYSA-N 0 0 228.223 2.345 20 5 BEBDRN CC/C=C/CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000569926920 323044633 /nfs/dbraw/zinc/04/46/33/323044633.db2.gz IGMBVMRPYGAWGX-ONEGZZNKSA-N 0 0 240.234 2.252 20 5 BEBDRN CCCC(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC000563199283 323101315 /nfs/dbraw/zinc/10/13/15/323101315.db2.gz VBAUUMMBEUOODX-UHFFFAOYSA-N 0 0 237.259 2.375 20 5 BEBDRN O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000531627777 323110634 /nfs/dbraw/zinc/11/06/34/323110634.db2.gz IUAOPLXIWOUZAG-UHFFFAOYSA-N 0 0 243.222 2.242 20 5 BEBDRN COCCCOc1c(C)c(C)ncc1[N+](=O)[O-] ZINC000563441255 323126581 /nfs/dbraw/zinc/12/65/81/323126581.db2.gz YXDVLJRILCNJCL-UHFFFAOYSA-N 0 0 240.259 2.022 20 5 BEBDRN Cc1nc(COc2ccccc2[N+](=O)[O-])co1 ZINC000571622621 323149545 /nfs/dbraw/zinc/14/95/45/323149545.db2.gz RIZMXHZOJPGDQY-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCc1cccc(O)c1 ZINC000048608492 323154636 /nfs/dbraw/zinc/15/46/36/323154636.db2.gz MVKSSDAXBWOSOL-UHFFFAOYSA-N 0 0 245.238 2.308 20 5 BEBDRN O=[N+]([O-])c1cc(-c2nc(C3CCCC3)no2)[nH]n1 ZINC000417260648 323169952 /nfs/dbraw/zinc/16/99/52/323169952.db2.gz NYNRRDHOQKZNTB-UHFFFAOYSA-N 0 0 249.230 2.026 20 5 BEBDRN Cc1nnc([C@H](C)Nc2ccccc2[N+](=O)[O-])o1 ZINC000532349055 323255647 /nfs/dbraw/zinc/25/56/47/323255647.db2.gz JNCWYOVGTRDEIC-ZETCQYMHSA-N 0 0 248.242 2.459 20 5 BEBDRN O=C(NC1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532391812 323259859 /nfs/dbraw/zinc/25/98/59/323259859.db2.gz BSTTWBCZNXEQAM-UHFFFAOYSA-N 0 0 249.270 2.052 20 5 BEBDRN Cc1cc(CNc2ccc([N+](=O)[O-])c(C)n2)no1 ZINC000161535864 323544887 /nfs/dbraw/zinc/54/48/87/323544887.db2.gz YZIGPJXKLCYMNI-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1cc(CNc2nccc(C)c2[N+](=O)[O-])no1 ZINC000070496210 325013320 /nfs/dbraw/zinc/01/33/20/325013320.db2.gz CCROXAPGFAFRBG-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCc1nccn1C ZINC000131505918 325157358 /nfs/dbraw/zinc/15/73/58/325157358.db2.gz GMLOJUYPYPPRMU-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1ccc(OCc2ccon2)cc1[N+](=O)[O-] ZINC000131739725 325181032 /nfs/dbraw/zinc/18/10/32/325181032.db2.gz PFNIEMOIDKVYBY-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN CC(C)Cc1noc(-c2ccc([N+](=O)[O-])cn2)n1 ZINC000546957662 325320326 /nfs/dbraw/zinc/32/03/26/325320326.db2.gz IEOMIYVFZNNLIS-UHFFFAOYSA-N 0 0 248.242 2.238 20 5 BEBDRN CCO[C@H]1C[C@H]1Nc1ccc(C)cc1[N+](=O)[O-] ZINC000566600080 326066491 /nfs/dbraw/zinc/06/64/91/326066491.db2.gz HGXQWKWDDXEMFA-PWSUYJOCSA-N 0 0 236.271 2.493 20 5 BEBDRN C[C@H]1C[C@H](C)N1c1ncc([N+](=O)[O-])cc1F ZINC000567450613 326194648 /nfs/dbraw/zinc/19/46/48/326194648.db2.gz XJZIMADQFVVROF-BQBZGAKWSA-N 0 0 225.223 2.116 20 5 BEBDRN O=C(N[C@@H]1C=CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000158503789 326325189 /nfs/dbraw/zinc/32/51/89/326325189.db2.gz YSKYHIXNTRLAHE-LLVKDONJSA-N 0 0 246.266 2.433 20 5 BEBDRN C[C@@H]1C[C@H](C)N(c2ncc([N+](=O)[O-])s2)C1 ZINC000573055688 326427026 /nfs/dbraw/zinc/42/70/26/326427026.db2.gz HRAIDBQTZPSZRO-RQJHMYQMSA-N 0 0 227.289 2.286 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H]2C[C@@H]21 ZINC000804689166 582526939 /nfs/dbraw/zinc/52/69/39/582526939.db2.gz YHAFEZYGWVQSAG-XCBNKYQSSA-N 0 0 222.219 2.333 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H]3C[C@H]32)cc1 ZINC000804689699 582527593 /nfs/dbraw/zinc/52/75/93/582527593.db2.gz SAUSHZCBFIJQBP-GZMMTYOYSA-N 0 0 204.229 2.193 20 5 BEBDRN O=C(OCCF)c1ccc([N+](=O)[O-])cc1Cl ZINC000739332658 582723859 /nfs/dbraw/zinc/72/38/59/582723859.db2.gz MRFPEZPNFKXRCJ-UHFFFAOYSA-N 0 0 247.609 2.375 20 5 BEBDRN CCO/C=C\C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000493254180 528540446 /nfs/dbraw/zinc/54/04/46/528540446.db2.gz MAGXKRRCDHAQJG-FPLPWBNLSA-N 0 0 236.227 2.084 20 5 BEBDRN CC1(C)C[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000226389185 534919791 /nfs/dbraw/zinc/91/97/91/534919791.db2.gz GRUGTQXTMPURCS-QMMMGPOBSA-N 0 0 221.260 2.448 20 5 BEBDRN CC[C@@H](C)CONc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000853642072 588751624 /nfs/dbraw/zinc/75/16/24/588751624.db2.gz FOWDEBBIDQNMRK-SSDOTTSWSA-N 0 0 241.247 2.085 20 5 BEBDRN C[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])[C@H]1C ZINC000853649758 588752248 /nfs/dbraw/zinc/75/22/48/588752248.db2.gz CMEAEAYOFLCWHS-IUCAKERBSA-N 0 0 246.270 2.087 20 5 BEBDRN C[C@]12COC[C@H]1CN(c1ccc([N+](=O)[O-])cc1)C2 ZINC000853857225 588766054 /nfs/dbraw/zinc/76/60/54/588766054.db2.gz XBVSDVNGQUXCBJ-MFKMUULPSA-N 0 0 248.282 2.068 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000853934700 588769749 /nfs/dbraw/zinc/76/97/49/588769749.db2.gz YDIDYKXEFPQTEK-QWRGUYRKSA-N 0 0 248.282 2.068 20 5 BEBDRN CC[C@@H]1C[C@H]1C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000854494713 588789476 /nfs/dbraw/zinc/78/94/76/588789476.db2.gz FVJDAQIZGBSFQE-VXNVDRBHSA-N 0 0 249.270 2.162 20 5 BEBDRN C/C=C(/C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000207384442 582458849 /nfs/dbraw/zinc/45/88/49/582458849.db2.gz LERJHUVRHZSINB-BAQGIRSFSA-N 0 0 220.228 2.500 20 5 BEBDRN O=C(N[C@@H]1C=CCC1)c1ccc([N+](=O)[O-])s1 ZINC000855420348 588832634 /nfs/dbraw/zinc/83/26/34/588832634.db2.gz TZAIXNUVHMFSDO-SSDOTTSWSA-N 0 0 238.268 2.105 20 5 BEBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[C@@H]2C[C@@H]21 ZINC000804688577 582526177 /nfs/dbraw/zinc/52/61/77/582526177.db2.gz KAQHGZZZGYFRSV-XCBNKYQSSA-N 0 0 249.226 2.102 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCC3(CC3)C2)n1 ZINC000804687913 582526208 /nfs/dbraw/zinc/52/62/08/582526208.db2.gz DASZJDGZGVBLKI-UHFFFAOYSA-N 0 0 233.271 2.289 20 5 BEBDRN Cc1cccc(C(=O)N[C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC000855422430 588832886 /nfs/dbraw/zinc/83/28/86/588832886.db2.gz XGIZTMRDQVWJKE-SNVBAGLBSA-N 0 0 246.266 2.352 20 5 BEBDRN C[C@@H]1C[C@H]1c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812814858 582567491 /nfs/dbraw/zinc/56/74/91/582567491.db2.gz RDUOPHNBBHEURQ-HTQZYQBOSA-N 0 0 239.275 2.181 20 5 BEBDRN C[C@H](C(=O)OC[C@H](C)[N+](=O)[O-])c1cccs1 ZINC000813109815 582586522 /nfs/dbraw/zinc/58/65/22/582586522.db2.gz PLYMDYBNUJELLK-YUMQZZPRSA-N 0 0 243.284 2.060 20 5 BEBDRN C[C@H](COC(=O)[C@@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813111036 582587832 /nfs/dbraw/zinc/58/78/32/582587832.db2.gz ATWOASMYDCPDAZ-OPRDCNLKSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](COC(=O)[C@H](C)C1CCCC1)[N+](=O)[O-] ZINC000813112467 582589345 /nfs/dbraw/zinc/58/93/45/582589345.db2.gz QHEBXTBRYYHPRW-RKDXNWHRSA-N 0 0 229.276 2.021 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCC2)c1C ZINC000891409343 582679482 /nfs/dbraw/zinc/67/94/82/582679482.db2.gz GHOPASMHJHMWGY-UHFFFAOYSA-N 0 0 248.282 2.494 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NCCC1CCCC1 ZINC000891705618 582711454 /nfs/dbraw/zinc/71/14/54/582711454.db2.gz SSDSPRFNYZNRPB-UHFFFAOYSA-N 0 0 238.291 2.321 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NC[C@@H]1CC=CCC1 ZINC000892035993 582768361 /nfs/dbraw/zinc/76/83/61/582768361.db2.gz OTXMNWWZPJRVLS-SECBINFHSA-N 0 0 236.275 2.097 20 5 BEBDRN C[C@@H]1CCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000725789755 582853724 /nfs/dbraw/zinc/85/37/24/582853724.db2.gz IKDCKFUSGPXWJI-SECBINFHSA-N 0 0 246.270 2.089 20 5 BEBDRN CC[C@H](C)[C@@H](C)Nc1c([N+](=O)[O-])cnn1C ZINC000892615380 582930640 /nfs/dbraw/zinc/93/06/40/582930640.db2.gz BYKUVSISWSENOG-JGVFFNPUSA-N 0 0 226.280 2.175 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NCCC1=CCCC1 ZINC000892955369 583020372 /nfs/dbraw/zinc/02/03/72/583020372.db2.gz DRZAAKYFKGRZQA-UHFFFAOYSA-N 0 0 236.275 2.241 20 5 BEBDRN CC[C@@H]1CCC[C@]1(C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000893048767 583037622 /nfs/dbraw/zinc/03/76/22/583037622.db2.gz YCVGJCXONVMFCD-UMNHJUIQSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1c(CNC(=O)[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000616489438 583086329 /nfs/dbraw/zinc/08/63/29/583086329.db2.gz XNCPGMKMEWVYPS-GZMMTYOYSA-N 0 0 248.282 2.175 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1CN1CC(F)C1 ZINC000893521627 583156599 /nfs/dbraw/zinc/15/65/99/583156599.db2.gz FPTIYKMPJCPXME-UHFFFAOYSA-N 0 0 244.653 2.402 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NCC[C@H](C)F ZINC000893982376 583265980 /nfs/dbraw/zinc/26/59/80/583265980.db2.gz SSXBATNLFMEZKM-ZETCQYMHSA-N 0 0 243.238 2.158 20 5 BEBDRN CC/C=C/CNc1ncc([N+](=O)[O-])cc1OC ZINC000894045916 583287462 /nfs/dbraw/zinc/28/74/62/583287462.db2.gz JQGIUOAIWHABAS-SNAWJCMRSA-N 0 0 237.259 2.377 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1=CCCCCC1 ZINC000814040951 583337464 /nfs/dbraw/zinc/33/74/64/583337464.db2.gz LRQSXRMISUTSPZ-SECBINFHSA-N 0 0 227.260 2.085 20 5 BEBDRN COc1cc(F)c([N+](=O)[O-])cc1Cl ZINC000147532950 583577137 /nfs/dbraw/zinc/57/71/37/583577137.db2.gz ONPAPBZBCFJNHM-UHFFFAOYSA-N 0 0 205.572 2.396 20 5 BEBDRN CC1(F)CN(c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000795193485 583664919 /nfs/dbraw/zinc/66/49/19/583664919.db2.gz AEZJPUXFAYYEDF-UHFFFAOYSA-N 0 0 246.188 2.421 20 5 BEBDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000895537314 583687438 /nfs/dbraw/zinc/68/74/38/583687438.db2.gz NOFVYZMOQOLEPR-CZULRBLNSA-N 0 0 233.271 2.446 20 5 BEBDRN C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])CCO1 ZINC000895754973 583720312 /nfs/dbraw/zinc/72/03/12/583720312.db2.gz RLYIBZDJDZEAAA-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN CCO[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000896405098 583799899 /nfs/dbraw/zinc/79/98/99/583799899.db2.gz MPEQBRVVPUOXQU-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN CO[C@@H]1CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1 ZINC000897148242 583884342 /nfs/dbraw/zinc/88/43/42/583884342.db2.gz DNURKXMBEPLXPQ-VXGBXAGGSA-N 0 0 236.271 2.208 20 5 BEBDRN CO[C@@H]1CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1 ZINC000897148239 583884639 /nfs/dbraw/zinc/88/46/39/583884639.db2.gz DNURKXMBEPLXPQ-NWDGAFQWSA-N 0 0 236.271 2.208 20 5 BEBDRN C[C@@H]1CC=CC[C@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000897392791 583948670 /nfs/dbraw/zinc/94/86/70/583948670.db2.gz ODRIRJMSFVSOAF-RKDXNWHRSA-N 0 0 249.270 2.462 20 5 BEBDRN C[C@@H]1C[C@H]1COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000729091190 583955428 /nfs/dbraw/zinc/95/54/28/583955428.db2.gz RQOXJSZGQVBCSF-KOLCDFICSA-N 0 0 249.266 2.337 20 5 BEBDRN C[C@@H]1C[C@@H]1COC(=O)c1csc([N+](=O)[O-])c1 ZINC000729093927 583957138 /nfs/dbraw/zinc/95/71/38/583957138.db2.gz XYIXSKZQJSDGJJ-RNFRBKRXSA-N 0 0 241.268 2.469 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@H]1COC[C@@H]1C1CC1 ZINC000897442038 583985005 /nfs/dbraw/zinc/98/50/05/583985005.db2.gz OXEVUEDVBSWDNE-PWSUYJOCSA-N 0 0 248.282 2.432 20 5 BEBDRN C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(F)F ZINC000786521389 584021853 /nfs/dbraw/zinc/02/18/53/584021853.db2.gz UYRVMCHMISGPTO-ZCFIWIBFSA-N 0 0 245.181 2.405 20 5 BEBDRN O=[N+]([O-])CCOc1cccc2c1CCCC2 ZINC000899230494 584182968 /nfs/dbraw/zinc/18/29/68/584182968.db2.gz IOVSUWWWOCVCTI-UHFFFAOYSA-N 0 0 221.256 2.221 20 5 BEBDRN Cc1ccc2c(cccc2OCC[N+](=O)[O-])n1 ZINC000899232238 584183581 /nfs/dbraw/zinc/18/35/81/584183581.db2.gz LNWIITRULBOCDN-UHFFFAOYSA-N 0 0 232.239 2.199 20 5 BEBDRN COCOCCCNc1sccc1[N+](=O)[O-] ZINC000858606077 588970427 /nfs/dbraw/zinc/97/04/27/588970427.db2.gz DVGPZVQDCZOUPJ-UHFFFAOYSA-N 0 0 246.288 2.079 20 5 BEBDRN CN(CC1(C)COC1)c1ccc([N+](=O)[O-])cc1 ZINC000858705904 588974812 /nfs/dbraw/zinc/97/48/12/588974812.db2.gz NNAIILQJDORMJP-UHFFFAOYSA-N 0 0 236.271 2.068 20 5 BEBDRN C[C@H](NC(=O)CCF)c1ccccc1[N+](=O)[O-] ZINC000901328913 584424078 /nfs/dbraw/zinc/42/40/78/584424078.db2.gz JDTYCWMJRKQFHZ-QMMMGPOBSA-N 0 0 240.234 2.132 20 5 BEBDRN COC/C(C)=C/Cn1nc(C)c([N+](=O)[O-])c1C ZINC000901349069 584430782 /nfs/dbraw/zinc/43/07/82/584430782.db2.gz USJGONFLBDQJMM-VMPITWQZSA-N 0 0 239.275 2.001 20 5 BEBDRN CC(C)c1ccccc1Cn1ncc([N+](=O)[O-])n1 ZINC000901585115 584467959 /nfs/dbraw/zinc/46/79/59/584467959.db2.gz GGVZZBPAMSUNEO-UHFFFAOYSA-N 0 0 246.270 2.358 20 5 BEBDRN O=[N+]([O-])c1ccc(CCSC2COC2)cc1 ZINC000901643568 584474180 /nfs/dbraw/zinc/47/41/80/584474180.db2.gz IUUDHMIADQQVIZ-UHFFFAOYSA-N 0 0 239.296 2.269 20 5 BEBDRN O=[N+]([O-])c1ccc(/C=C/SC2COC2)o1 ZINC000901645393 584474813 /nfs/dbraw/zinc/47/48/13/584474813.db2.gz VNYLEEUHSHBVII-ONEGZZNKSA-N 0 0 227.241 2.291 20 5 BEBDRN O=[N+]([O-])c1ccccc1OC[C@@H]1C[C@]12CCOC2 ZINC000902115833 584527227 /nfs/dbraw/zinc/52/72/27/584527227.db2.gz DRORNAVQOYCZAZ-GWCFXTLKSA-N 0 0 249.266 2.400 20 5 BEBDRN C/C=C/CSCc1cn(C)nc1[N+](=O)[O-] ZINC000902323381 584559691 /nfs/dbraw/zinc/55/96/91/584559691.db2.gz TWLNGXIBDAUMKP-ONEGZZNKSA-N 0 0 227.289 2.138 20 5 BEBDRN COCCCSCc1cccnc1[N+](=O)[O-] ZINC000902366585 584565628 /nfs/dbraw/zinc/56/56/28/584565628.db2.gz FYMLMTAVRJPKSV-UHFFFAOYSA-N 0 0 242.300 2.260 20 5 BEBDRN CO[C@H](C)COc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000902696533 584653963 /nfs/dbraw/zinc/65/39/63/584653963.db2.gz CQHXVLAWBWCYRT-ZCFIWIBFSA-N 0 0 247.197 2.287 20 5 BEBDRN O=C(OCC(F)F)c1ccc([N+](=O)[O-])s1 ZINC000733381037 584947366 /nfs/dbraw/zinc/94/73/66/584947366.db2.gz XGINCNAMOXWMQF-UHFFFAOYSA-N 0 0 237.183 2.078 20 5 BEBDRN CCOc1cc(COC(C)=O)ccc1[N+](=O)[O-] ZINC000755505849 584956336 /nfs/dbraw/zinc/95/63/36/584956336.db2.gz FFMGCWMRDAAZAD-UHFFFAOYSA-N 0 0 239.227 2.057 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C1CC(C(C)(C)C)C1 ZINC000838969835 585082732 /nfs/dbraw/zinc/08/27/32/585082732.db2.gz GHKSWYQPGKMTRW-IDKOKCKLSA-N 0 0 243.303 2.267 20 5 BEBDRN O=C(OCCCF)c1cc(F)cc([N+](=O)[O-])c1 ZINC000741443169 585113547 /nfs/dbraw/zinc/11/35/47/585113547.db2.gz DBPSBTRJKBWIRP-UHFFFAOYSA-N 0 0 245.181 2.250 20 5 BEBDRN O=C(OCCCF)c1ccc([N+](=O)[O-])cc1F ZINC000741445000 585113910 /nfs/dbraw/zinc/11/39/10/585113910.db2.gz QHPJOULXMQDUJZ-UHFFFAOYSA-N 0 0 245.181 2.250 20 5 BEBDRN O=C(OCCF)c1cc([N+](=O)[O-])ccc1Cl ZINC000744480108 585151113 /nfs/dbraw/zinc/15/11/13/585151113.db2.gz UZRPODRWZRAAJL-UHFFFAOYSA-N 0 0 247.609 2.375 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCCF ZINC000744529167 585151280 /nfs/dbraw/zinc/15/12/80/585151280.db2.gz IRHPIOCEPRGKMU-UHFFFAOYSA-N 0 0 227.191 2.030 20 5 BEBDRN O=C(OCC1CC=CC1)c1ccc([N+](=O)[O-])cn1 ZINC000750361250 585213559 /nfs/dbraw/zinc/21/35/59/585213559.db2.gz RTGLBLPNUKRVMV-UHFFFAOYSA-N 0 0 248.238 2.113 20 5 BEBDRN O=C(OC1CCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000750738416 585219010 /nfs/dbraw/zinc/21/90/10/585219010.db2.gz PDGJKVFJLAMTPS-UHFFFAOYSA-N 0 0 239.202 2.443 20 5 BEBDRN CS/C=C\C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000751570874 585233053 /nfs/dbraw/zinc/23/30/53/585233053.db2.gz RCRSTMZHLKMFBC-WAYWQWQTSA-N 0 0 239.252 2.377 20 5 BEBDRN Cc1ccc(N(C)Cc2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000754058767 585276957 /nfs/dbraw/zinc/27/69/57/585276957.db2.gz ZNRNQSGTCWXBAS-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN C/C=C\COC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000805070780 585290757 /nfs/dbraw/zinc/29/07/57/585290757.db2.gz ZUSJKLLKAXCLBU-ARJAWSKDSA-N 0 0 236.227 2.031 20 5 BEBDRN CC[C@@H](C)COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000756360257 585318170 /nfs/dbraw/zinc/31/81/70/585318170.db2.gz MDVZTOCWBVWOHX-MRVPVSSYSA-N 0 0 240.259 2.136 20 5 BEBDRN O=C(Nc1ccc(C2CC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839716688 585338351 /nfs/dbraw/zinc/33/83/51/585338351.db2.gz FURSGHFWLDVHDE-VXGBXAGGSA-N 0 0 246.266 2.168 20 5 BEBDRN CC[C@@H](C)OC(=O)c1cccc([N+](=O)[O-])c1N ZINC000758957026 585363063 /nfs/dbraw/zinc/36/30/63/585363063.db2.gz MIHJWPNYZIHSFQ-SSDOTTSWSA-N 0 0 238.243 2.132 20 5 BEBDRN O=[N+]([O-])c1cnc(SCc2ccco2)nc1 ZINC000760460105 585392735 /nfs/dbraw/zinc/39/27/35/585392735.db2.gz YIEDXERTPGZCGQ-UHFFFAOYSA-N 0 0 237.240 2.270 20 5 BEBDRN CC(C)CCOC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000761982650 585423689 /nfs/dbraw/zinc/42/36/89/585423689.db2.gz YUUYPUHRDZKLRI-UHFFFAOYSA-N 0 0 238.243 2.193 20 5 BEBDRN CC(C)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000763543140 585450090 /nfs/dbraw/zinc/45/00/90/585450090.db2.gz OFKPQKIWFUWFQQ-QMMMGPOBSA-N 0 0 240.259 2.135 20 5 BEBDRN CC(C)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000763545257 585450329 /nfs/dbraw/zinc/45/03/29/585450329.db2.gz VYJKUIBJYMDERV-QMMMGPOBSA-N 0 0 238.243 2.191 20 5 BEBDRN Cc1ccc(N2CC(C)C2)c([N+](=O)[O-])c1 ZINC000768490566 585539352 /nfs/dbraw/zinc/53/93/52/585539352.db2.gz NIKLMHKIPRZHNV-UHFFFAOYSA-N 0 0 206.245 2.359 20 5 BEBDRN C/C=C\COC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769048968 585548137 /nfs/dbraw/zinc/54/81/37/585548137.db2.gz OIFYFOZSDSRUIT-IHWYPQMZSA-N 0 0 237.211 2.033 20 5 BEBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)C1=CCC1 ZINC000770525775 585575517 /nfs/dbraw/zinc/57/55/17/585575517.db2.gz RYXYXRVWCGTOBB-UHFFFAOYSA-N 0 0 236.202 2.393 20 5 BEBDRN Cc1cc(N[C@@H](CO)C2CC2)ccc1[N+](=O)[O-] ZINC000771213293 585591524 /nfs/dbraw/zinc/59/15/24/585591524.db2.gz KZOBURJRVYFEPK-NSHDSACASA-N 0 0 236.271 2.086 20 5 BEBDRN CCC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000773996674 585647857 /nfs/dbraw/zinc/64/78/57/585647857.db2.gz MEVHJVYUWNMLHX-UHFFFAOYSA-N 0 0 234.255 2.202 20 5 BEBDRN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1CC1)CC2 ZINC000773989969 585647931 /nfs/dbraw/zinc/64/79/31/585647931.db2.gz PIZDARJQEITKDU-UHFFFAOYSA-N 0 0 246.266 2.202 20 5 BEBDRN C[C@@H]1COCCCN1c1ccc([N+](=O)[O-])cc1 ZINC000774535666 585660800 /nfs/dbraw/zinc/66/08/00/585660800.db2.gz DNEDGRNGGBUDDG-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN C/C=C\C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000775259467 585674491 /nfs/dbraw/zinc/67/44/91/585674491.db2.gz UNFXPDVWFHYPHI-RWIWAZIYSA-N 0 0 234.255 2.348 20 5 BEBDRN CC(C)=CCOC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000775278601 585674821 /nfs/dbraw/zinc/67/48/21/585674821.db2.gz MVRJOQZQSSBMKM-UHFFFAOYSA-N 0 0 236.227 2.113 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC=CCC2)c([N+](=O)[O-])c1 ZINC000778591776 585737715 /nfs/dbraw/zinc/73/77/15/585737715.db2.gz PBKOVARKJCJGCV-UHFFFAOYSA-N 0 0 249.226 2.269 20 5 BEBDRN O=C(OC1CC1)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000783193129 585829691 /nfs/dbraw/zinc/82/96/91/585829691.db2.gz CITHISTVRAYIAA-UHFFFAOYSA-N 0 0 246.222 2.395 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OC2CC2)c1 ZINC000783196617 585829920 /nfs/dbraw/zinc/82/99/20/585829920.db2.gz RGRBANOYPOXJKG-UHFFFAOYSA-N 0 0 221.212 2.222 20 5 BEBDRN Cc1ccc(N2CC(F)C2)c([N+](=O)[O-])c1 ZINC000784185866 585852571 /nfs/dbraw/zinc/85/25/71/585852571.db2.gz LPGCGTXDOLVWAV-UHFFFAOYSA-N 0 0 210.208 2.061 20 5 BEBDRN C/C(=C\C(=O)N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000785138975 585871113 /nfs/dbraw/zinc/87/11/13/585871113.db2.gz NGFIOGSGAGFNNE-CMDGGOBGSA-N 0 0 234.255 2.086 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1OCCC1(O)CC1 ZINC000785441422 585873888 /nfs/dbraw/zinc/87/38/88/585873888.db2.gz JJEYMVZFKZACJP-UHFFFAOYSA-N 0 0 241.218 2.028 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC(C)(C)C2)n1 ZINC000788579332 585927247 /nfs/dbraw/zinc/92/72/47/585927247.db2.gz YILDAQYWEWYFFO-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN O=[N+]([O-])c1ccc(/C=C\Sc2cn[nH]n2)o1 ZINC000789920646 585953136 /nfs/dbraw/zinc/95/31/36/585953136.db2.gz FRRDOIAYSMWWPT-ARJAWSKDSA-N 0 0 238.228 2.069 20 5 BEBDRN C/C=C(\C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000791019447 585972223 /nfs/dbraw/zinc/97/22/23/585972223.db2.gz YZTAIAWNXVUEEM-RUDMXATFSA-N 0 0 248.282 2.486 20 5 BEBDRN C[C@@H]1CCN(CC[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000791051587 585972746 /nfs/dbraw/zinc/97/27/46/585972746.db2.gz GAJFOCPXOQECAL-GHMZBOCLSA-N 0 0 238.287 2.329 20 5 BEBDRN C[C@H]1CCN(CC[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000791051591 585972813 /nfs/dbraw/zinc/97/28/13/585972813.db2.gz GAJFOCPXOQECAL-WDEREUQCSA-N 0 0 238.287 2.329 20 5 BEBDRN CC[C@H](NCC[N+](=O)[O-])c1ccc(F)cc1F ZINC000791055300 585973070 /nfs/dbraw/zinc/97/30/70/585973070.db2.gz RLDJKGNEPXWWLO-NSHDSACASA-N 0 0 244.241 2.282 20 5 BEBDRN C[C@H](c1cccs1)N(C)CC[N+](=O)[O-] ZINC000791053212 585973216 /nfs/dbraw/zinc/97/32/16/585973216.db2.gz JIYXWSDNSPLBAT-MRVPVSSYSA-N 0 0 214.290 2.018 20 5 BEBDRN C[C@@H]1C[C@H](C)N1c1nc2ccccn2c1[N+](=O)[O-] ZINC000795193331 586071205 /nfs/dbraw/zinc/07/12/05/586071205.db2.gz JDFOESLFXVAOCY-DTORHVGOSA-N 0 0 246.270 2.230 20 5 BEBDRN C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000800855935 586234153 /nfs/dbraw/zinc/23/41/53/586234153.db2.gz JTSFQZJWVZVRQU-IUCAKERBSA-N 0 0 235.287 2.269 20 5 BEBDRN O=C(OCCCCF)c1ccc([N+](=O)[O-])o1 ZINC000803225475 586338586 /nfs/dbraw/zinc/33/85/86/586338586.db2.gz HFBKRNIMLBCBJN-UHFFFAOYSA-N 0 0 231.179 2.094 20 5 BEBDRN C/C=C\C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000804177982 586385364 /nfs/dbraw/zinc/38/53/64/586385364.db2.gz YMBQJRXPJMUQJI-UTCJRWHESA-N 0 0 248.282 2.172 20 5 BEBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCCC1 ZINC000804315078 586390559 /nfs/dbraw/zinc/39/05/59/586390559.db2.gz CIFYZENMXZEASP-UHFFFAOYSA-N 0 0 237.215 2.103 20 5 BEBDRN Nc1ccc(NC[C@@H]2CCC=CO2)c([N+](=O)[O-])c1 ZINC000804630707 586404120 /nfs/dbraw/zinc/40/41/20/586404120.db2.gz HVIDYLDUTDARDY-JTQLQIEISA-N 0 0 249.270 2.282 20 5 BEBDRN Nc1ccc(NC[C@H]2CCC=CO2)c([N+](=O)[O-])c1 ZINC000804630708 586404159 /nfs/dbraw/zinc/40/41/59/586404159.db2.gz HVIDYLDUTDARDY-SNVBAGLBSA-N 0 0 249.270 2.282 20 5 BEBDRN CCON(C)c1c(F)cccc1[N+](=O)[O-] ZINC000804632828 586404352 /nfs/dbraw/zinc/40/43/52/586404352.db2.gz DATAFZWFXFLHBT-UHFFFAOYSA-N 0 0 214.196 2.122 20 5 BEBDRN Nc1ccc(N2CCC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000811841423 586567609 /nfs/dbraw/zinc/56/76/09/586567609.db2.gz GEPGIWBMQOVOCD-MRVPVSSYSA-N 0 0 239.250 2.115 20 5 BEBDRN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])c1cccc(C)c1 ZINC000840259255 586579500 /nfs/dbraw/zinc/57/95/00/586579500.db2.gz JXRAFEPYDPKQCL-VXGBXAGGSA-N 0 0 248.282 2.013 20 5 BEBDRN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])c1ccc(C)cc1 ZINC000840262641 586582455 /nfs/dbraw/zinc/58/24/55/586582455.db2.gz YZEWFZAYUJTBBP-VXGBXAGGSA-N 0 0 248.282 2.013 20 5 BEBDRN CCCCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC000840277284 586589826 /nfs/dbraw/zinc/58/98/26/586589826.db2.gz MESLHSXNQLSUCD-GHMZBOCLSA-N 0 0 242.319 2.079 20 5 BEBDRN CC[C@@H](C)CCC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813102050 586591848 /nfs/dbraw/zinc/59/18/48/586591848.db2.gz AHKIVBTVXQIIHQ-BDAKNGLRSA-N 0 0 217.265 2.021 20 5 BEBDRN Cc1ccc(C(=O)OC[C@@H](C)[N+](=O)[O-])c(C)c1 ZINC000813102822 586591918 /nfs/dbraw/zinc/59/19/18/586591918.db2.gz VYFOUAOLBNJWQJ-SNVBAGLBSA-N 0 0 237.255 2.125 20 5 BEBDRN CCC(CC)[C@H](C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813102618 586592072 /nfs/dbraw/zinc/59/20/72/586592072.db2.gz TVWBEMGCTRMGRD-IUCAKERBSA-N 0 0 231.292 2.267 20 5 BEBDRN CCCC[C@H](CC)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813105088 586592533 /nfs/dbraw/zinc/59/25/33/586592533.db2.gz JNTYPZWUCGODCR-UWVGGRQHSA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@@H](CC1CCCC1)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813107695 586592625 /nfs/dbraw/zinc/59/26/25/586592625.db2.gz ULSIZBNEBOMKOZ-UWVGGRQHSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](COC(=O)/C=C\C1CCCCC1)[N+](=O)[O-] ZINC000813107911 586592889 /nfs/dbraw/zinc/59/28/89/586592889.db2.gz YVBFYXMJMHSOCH-GQYWMQPJSA-N 0 0 241.287 2.331 20 5 BEBDRN CC(C)CC(C)(C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813109961 586593292 /nfs/dbraw/zinc/59/32/92/586593292.db2.gz QPOGHPDZNGZURJ-SECBINFHSA-N 0 0 231.292 2.267 20 5 BEBDRN Cc1cc(C(=O)OC[C@H](C)[N+](=O)[O-])c(C)s1 ZINC000813113317 586593859 /nfs/dbraw/zinc/59/38/59/586593859.db2.gz PPZIVHWRAUINCF-LURJTMIESA-N 0 0 243.284 2.187 20 5 BEBDRN C/C(=C/C(=O)OC[C@@H](C)[N+](=O)[O-])c1ccccc1 ZINC000813112739 586594086 /nfs/dbraw/zinc/59/40/86/586594086.db2.gz KGQQQVISPOITBL-HIJJYWJESA-N 0 0 249.266 2.298 20 5 BEBDRN Cc1cccc(C(=O)OC[C@@H](C)[N+](=O)[O-])c1C ZINC000813115189 586594298 /nfs/dbraw/zinc/59/42/98/586594298.db2.gz MJZWTCBBXKCSGC-SECBINFHSA-N 0 0 237.255 2.125 20 5 BEBDRN C[C@@H](COC(=O)c1ccc(Cl)s1)[N+](=O)[O-] ZINC000813114995 586594369 /nfs/dbraw/zinc/59/43/69/586594369.db2.gz IQDNEZCVAFRQFC-YFKPBYRVSA-N 0 0 249.675 2.224 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)c1cccs1 ZINC000814041759 586611781 /nfs/dbraw/zinc/61/17/81/586611781.db2.gz VYDZFWGAZPCPPX-SFYZADRCSA-N 0 0 243.284 2.060 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)CC(C)(C)C ZINC000814036804 586611955 /nfs/dbraw/zinc/61/19/55/586611955.db2.gz LENKEDRDVUZOLB-RKDXNWHRSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])c1cccs1 ZINC000814041760 586611972 /nfs/dbraw/zinc/61/19/72/586611972.db2.gz VYDZFWGAZPCPPX-YUMQZZPRSA-N 0 0 243.284 2.060 20 5 BEBDRN CC(C(=O)O[C@@H](C)C[N+](=O)[O-])=C1CCCC1 ZINC000814037602 586612215 /nfs/dbraw/zinc/61/22/15/586612215.db2.gz ZHBCBPSCTJCBCI-QMMMGPOBSA-N 0 0 227.260 2.085 20 5 BEBDRN CCc1ccc(C(=O)O[C@H](C)C[N+](=O)[O-])s1 ZINC000814037827 586612243 /nfs/dbraw/zinc/61/22/43/586612243.db2.gz HHWOUAPGMZNBBU-SSDOTTSWSA-N 0 0 243.284 2.133 20 5 BEBDRN CCC[C@@H](C(=O)O[C@H](C)C[N+](=O)[O-])C(C)C ZINC000814037799 586612262 /nfs/dbraw/zinc/61/22/62/586612262.db2.gz GSBNMALKYZKGTC-NXEZZACHSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC(C)(C)C1 ZINC000814039427 586612482 /nfs/dbraw/zinc/61/24/82/586612482.db2.gz PHKFBJMPEXLEFE-UWVGGRQHSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1coc2ccccc12 ZINC000814039918 586612484 /nfs/dbraw/zinc/61/24/84/586612484.db2.gz YYXUQEWCBQECBL-MRVPVSSYSA-N 0 0 249.222 2.255 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C1CCC(C)(C)CC1 ZINC000814041022 586612654 /nfs/dbraw/zinc/61/26/54/586612654.db2.gz NYAHWPSOTPITMX-VIFPVBQESA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)c1ccsc1 ZINC000814048426 586613142 /nfs/dbraw/zinc/61/31/42/586613142.db2.gz UEGQJRNORFEVJP-HTQZYQBOSA-N 0 0 243.284 2.060 20 5 BEBDRN CSCOc1ccc(C=O)cc1[N+](=O)[O-] ZINC000814726033 586630860 /nfs/dbraw/zinc/63/08/60/586630860.db2.gz VTDLPOBNMGDHSG-UHFFFAOYSA-N 0 0 227.241 2.107 20 5 BEBDRN C[C@@H](COC(=O)[C@@H]1CC2CCC1CC2)[N+](=O)[O-] ZINC000816090877 586707525 /nfs/dbraw/zinc/70/75/25/586707525.db2.gz BBGIVHFCHGNODZ-IDWGSYCQSA-N 0 0 241.287 2.021 20 5 BEBDRN C[C@H](COC(=O)C(C)(C)C(C)(C)C)[N+](=O)[O-] ZINC000816091473 586707573 /nfs/dbraw/zinc/70/75/73/586707573.db2.gz YLTBHLWLWUZAOI-MRVPVSSYSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CC(C)(C)C1CC1 ZINC000816096571 586707874 /nfs/dbraw/zinc/70/78/74/586707874.db2.gz FXCCXBKUXFEIDT-QMMMGPOBSA-N 0 0 229.276 2.021 20 5 BEBDRN O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC2 ZINC000817236608 586789126 /nfs/dbraw/zinc/78/91/26/586789126.db2.gz TYGZEMGKNDWULN-LLVKDONJSA-N 0 0 247.250 2.438 20 5 BEBDRN CC[C@H](C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819893057 587001183 /nfs/dbraw/zinc/00/11/83/587001183.db2.gz QXNXXVLAWXTYIB-ZETCQYMHSA-N 0 0 237.259 2.162 20 5 BEBDRN CCCCC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819909635 587001816 /nfs/dbraw/zinc/00/18/16/587001816.db2.gz BUKPRKAVMVKSMB-UHFFFAOYSA-N 0 0 237.259 2.306 20 5 BEBDRN O=[N+]([O-])c1c(N[C@@H]2CC23CC3)nc2ccccn21 ZINC000819941587 587004446 /nfs/dbraw/zinc/00/44/46/587004446.db2.gz PKSOWSRPFJNCLH-MRVPVSSYSA-N 0 0 244.254 2.207 20 5 BEBDRN C[C@@H](COC(=O)[C@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000821167846 587099858 /nfs/dbraw/zinc/09/98/58/587099858.db2.gz YZQVPEODVCCSQK-UTLUCORTSA-N 0 0 229.276 2.021 20 5 BEBDRN CN(C(=O)CCC(C)(C)[N+](=O)[O-])C1CCCC1 ZINC000822336062 587162959 /nfs/dbraw/zinc/16/29/59/587162959.db2.gz KUAMLAOJXPLCEP-UHFFFAOYSA-N 0 0 242.319 2.223 20 5 BEBDRN CC(C)(CCC(=O)NC1(C)CCCC1)[N+](=O)[O-] ZINC000822773295 587185342 /nfs/dbraw/zinc/18/53/42/587185342.db2.gz RQVLIEVIROQGRY-UHFFFAOYSA-N 0 0 242.319 2.271 20 5 BEBDRN CC(C)(CCC(=O)N1CCCC1(C)C)[N+](=O)[O-] ZINC000823081398 587201710 /nfs/dbraw/zinc/20/17/10/587201710.db2.gz UGJZHEBPNXGYIK-UHFFFAOYSA-N 0 0 242.319 2.223 20 5 BEBDRN C[C@H]1CCC[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823128828 587204397 /nfs/dbraw/zinc/20/43/97/587204397.db2.gz IYINYACEYHEDPH-VHSXEESVSA-N 0 0 242.319 2.127 20 5 BEBDRN CC[C@@H](C)CN(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823238359 587210408 /nfs/dbraw/zinc/21/04/08/587210408.db2.gz NZARCILADAKHRT-SNVBAGLBSA-N 0 0 244.335 2.326 20 5 BEBDRN C/C=C/C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000825655556 587328889 /nfs/dbraw/zinc/32/88/89/587328889.db2.gz QFFQGZJVIMNDJT-ONEGZZNKSA-N 0 0 234.255 2.096 20 5 BEBDRN Cc1ccc(CNC(=O)[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000825648623 587328923 /nfs/dbraw/zinc/32/89/23/587328923.db2.gz VTQCDQJKFUYLTP-ONGXEEELSA-N 0 0 248.282 2.175 20 5 BEBDRN Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000825655862 587329033 /nfs/dbraw/zinc/32/90/33/587329033.db2.gz VTQCDQJKFUYLTP-GXSJLCMTSA-N 0 0 248.282 2.175 20 5 BEBDRN CCC1(CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000826714413 587359847 /nfs/dbraw/zinc/35/98/47/587359847.db2.gz NTMLXNKKTAQUQU-UHFFFAOYSA-N 0 0 242.319 2.128 20 5 BEBDRN Cc1ccc(N2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC000828449896 587443025 /nfs/dbraw/zinc/44/30/25/587443025.db2.gz ZRTDGAQNMREXKY-SECBINFHSA-N 0 0 224.235 2.451 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1C[C@@H](F)[C@@H](F)C1 ZINC000828754656 587460348 /nfs/dbraw/zinc/46/03/48/587460348.db2.gz CCJXEVQUQUDSPA-OLQVQODUSA-N 0 0 234.227 2.153 20 5 BEBDRN C[C@@H]1CC[C@@H](n2nc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829833953 587521156 /nfs/dbraw/zinc/52/11/56/587521156.db2.gz OBYROPHOANPEDF-RNFRBKRXSA-N 0 0 240.219 2.061 20 5 BEBDRN CCC[C@@H](C)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829841987 587522521 /nfs/dbraw/zinc/52/25/21/587522521.db2.gz CSNOYFVLGXELST-ZCFIWIBFSA-N 0 0 228.208 2.061 20 5 BEBDRN CC(C)(CCC(=O)N[C@@H]1CCC1(C)C)[N+](=O)[O-] ZINC000832001389 587642044 /nfs/dbraw/zinc/64/20/44/587642044.db2.gz LDFSDSLPFKCMMS-SECBINFHSA-N 0 0 242.319 2.127 20 5 BEBDRN CCSCCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835083442 587781466 /nfs/dbraw/zinc/78/14/66/587781466.db2.gz XNKMTRSKWPXDCG-UHFFFAOYSA-N 0 0 249.332 2.118 20 5 BEBDRN CC[C@H](C)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835097438 587783096 /nfs/dbraw/zinc/78/30/96/587783096.db2.gz JOWUKFYPHVGHLX-QMMMGPOBSA-N 0 0 217.265 2.164 20 5 BEBDRN CC(C)(CCC(=O)OC1CCCC1)[N+](=O)[O-] ZINC000835096502 587783268 /nfs/dbraw/zinc/78/32/68/587783268.db2.gz CSBGBPJUHVVOAB-UHFFFAOYSA-N 0 0 229.276 2.308 20 5 BEBDRN C[C@@H]1C[C@@H]1COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835109975 587784139 /nfs/dbraw/zinc/78/41/39/587784139.db2.gz UAUBGQIVHIGRAG-RKDXNWHRSA-N 0 0 229.276 2.021 20 5 BEBDRN CC(C)[C@H](C)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835228899 587788972 /nfs/dbraw/zinc/78/89/72/587788972.db2.gz UVOXVECNHWAZPW-VIFPVBQESA-N 0 0 231.292 2.410 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C1=CCC(C)(C)CC1 ZINC000835467762 587803808 /nfs/dbraw/zinc/80/38/08/587803808.db2.gz TWSHAYKAYQZEHT-VIFPVBQESA-N 0 0 241.287 2.331 20 5 BEBDRN CCC[C@@H]1CCC[C@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000835468092 587803994 /nfs/dbraw/zinc/80/39/94/587803994.db2.gz YIFBWODQIHJLDO-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)(CCC(=O)OC[Si](C)(C)C)[N+](=O)[O-] ZINC000837925850 587903463 /nfs/dbraw/zinc/90/34/63/587903463.db2.gz XQDHUGFNCVUREA-UHFFFAOYSA-N 0 0 247.367 2.243 20 5 BEBDRN C[C@@H]1CC[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C1 ZINC000841121234 587946952 /nfs/dbraw/zinc/94/69/52/587946952.db2.gz RGAGPZFDJTYYRH-QGKZMRNZSA-N 0 0 241.287 2.020 20 5 BEBDRN O=[N+]([O-])C1C[C@H]1c1nc(C2CCCCC2)no1 ZINC000841731986 587973309 /nfs/dbraw/zinc/97/33/09/587973309.db2.gz JKFGXUCQEVFOOO-RKDXNWHRSA-N 0 0 237.259 2.250 20 5 BEBDRN C[C@@H](c1noc([C@@H]2CC2[N+](=O)[O-])n1)C(C)(C)C ZINC000842494861 588030843 /nfs/dbraw/zinc/03/08/43/588030843.db2.gz GCOLGSPJVCICLS-XLPZGREQSA-N 0 0 239.275 2.352 20 5 BEBDRN CC1=C(C)C[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])CC1 ZINC000842805184 588063861 /nfs/dbraw/zinc/06/38/61/588063861.db2.gz BNXHKRUWKKYNSU-WDEREUQCSA-N 0 0 241.287 2.331 20 5 BEBDRN C/C=C(\C)COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000842853081 588070695 /nfs/dbraw/zinc/07/06/95/588070695.db2.gz RWIBXBOLDGQTRK-XBXARRHUSA-N 0 0 238.243 2.056 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)c1cocn1 ZINC000105369072 588150627 /nfs/dbraw/zinc/15/06/27/588150627.db2.gz XLQRSDUXYJAGQU-UHFFFAOYSA-N 0 0 248.194 2.110 20 5 BEBDRN C/C=C/COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000105388661 588151876 /nfs/dbraw/zinc/15/18/76/588151876.db2.gz QCLCNASDXGNSHH-NSCUHMNNSA-N 0 0 227.241 2.389 20 5 BEBDRN CCON(C(=O)CCC(C)(C)[N+](=O)[O-])C(C)C ZINC000844073426 588159772 /nfs/dbraw/zinc/15/97/72/588159772.db2.gz NZVDRFBFRLETHP-UHFFFAOYSA-N 0 0 246.307 2.010 20 5 BEBDRN Cc1cn(CC=C(Cl)Cl)nc1[N+](=O)[O-] ZINC000844237624 588176769 /nfs/dbraw/zinc/17/67/69/588176769.db2.gz XRJPVAYSEGCRST-UHFFFAOYSA-N 0 0 236.058 2.419 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000845751458 588243605 /nfs/dbraw/zinc/24/36/05/588243605.db2.gz FDHWRLNFTVBXLL-AOOOYVTPSA-N 0 0 240.209 2.296 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(F)c1NCC[C@@H](C)O ZINC000849316541 588472029 /nfs/dbraw/zinc/47/20/29/588472029.db2.gz GPVRCXBGHRZIJN-SSDOTTSWSA-N 0 0 242.250 2.225 20 5 BEBDRN C[C@@H]1CCCC[C@@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000849807875 588501975 /nfs/dbraw/zinc/50/19/75/588501975.db2.gz VYSMASTWXXDRSI-GWOFURMSSA-N 0 0 241.287 2.021 20 5 BEBDRN CC1=CC[C@](C)(C(=O)OC[C@@H](C)[N+](=O)[O-])CC1 ZINC000851036567 588585433 /nfs/dbraw/zinc/58/54/33/588585433.db2.gz KLGUPGAWLRVFRC-PWSUYJOCSA-N 0 0 241.287 2.331 20 5 BEBDRN CCCC[C@@](C)(F)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000851044237 588586677 /nfs/dbraw/zinc/58/66/77/588586677.db2.gz CEUGOEWYGVYKPJ-WCBMZHEXSA-N 0 0 235.255 2.113 20 5 BEBDRN CCC(CC)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851124020 588592277 /nfs/dbraw/zinc/59/22/77/588592277.db2.gz LWRXZXATEHCPGU-UHFFFAOYSA-N 0 0 217.265 2.021 20 5 BEBDRN CC(C)(COC(=O)c1ccc(F)cc1)[N+](=O)[O-] ZINC000851122329 588592322 /nfs/dbraw/zinc/59/23/22/588592322.db2.gz DPXLWVFHFAXXOK-UHFFFAOYSA-N 0 0 241.218 2.038 20 5 BEBDRN CCCC(C)(C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128830 588592557 /nfs/dbraw/zinc/59/25/57/588592557.db2.gz BTKIDPTTYYHZTG-UHFFFAOYSA-N 0 0 231.292 2.411 20 5 BEBDRN CC(C)(C)CCC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127421 588592585 /nfs/dbraw/zinc/59/25/85/588592585.db2.gz XEUMIPIMKMCWGY-UHFFFAOYSA-N 0 0 231.292 2.411 20 5 BEBDRN CS[C@@H](C)CCC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127530 588592799 /nfs/dbraw/zinc/59/27/99/588592799.db2.gz OXFLCDBZXQSBTE-QMMMGPOBSA-N 0 0 249.332 2.117 20 5 BEBDRN C[C@@H]1CCC[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851125936 588592812 /nfs/dbraw/zinc/59/28/12/588592812.db2.gz IYLWPEKOLQHSJD-NXEZZACHSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)(COC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)[N+](=O)[O-] ZINC000851127332 588592830 /nfs/dbraw/zinc/59/28/30/588592830.db2.gz UVZUTUNJVZGNEK-MYJAWHEDSA-N 0 0 241.287 2.021 20 5 BEBDRN CC(C)(COC(=O)[C@@]1(C)C[C@H]2C[C@H]2C1)[N+](=O)[O-] ZINC000851128754 588592872 /nfs/dbraw/zinc/59/28/72/588592872.db2.gz DVBARNWUMFDILE-GDGBQDQQSA-N 0 0 241.287 2.021 20 5 BEBDRN C[C@H]1CCC[C@@]1(C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851129228 588593074 /nfs/dbraw/zinc/59/30/74/588593074.db2.gz KVHMMWCVJIKVEY-JOYOIKCWSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)(COC(=O)C1=CCCCCC1)[N+](=O)[O-] ZINC000851128221 588593112 /nfs/dbraw/zinc/59/31/12/588593112.db2.gz NHQGPUJUSZDTRE-UHFFFAOYSA-N 0 0 241.287 2.475 20 5 BEBDRN C[C@@H]1CCCC[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851129994 588593261 /nfs/dbraw/zinc/59/32/61/588593261.db2.gz TXHYDTMNPBMMJI-NXEZZACHSA-N 0 0 243.303 2.411 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000860911526 589131188 /nfs/dbraw/zinc/13/11/88/589131188.db2.gz NXGSRVQEDSJUID-UHFFFAOYSA-N 0 0 243.646 2.164 20 5 BEBDRN CCCCCCC(=O)OCCC[N+](=O)[O-] ZINC000860912734 589131218 /nfs/dbraw/zinc/13/12/18/589131218.db2.gz BXFSBEWJCSINSW-UHFFFAOYSA-N 0 0 217.265 2.167 20 5 BEBDRN Cc1ccc(C(=O)OCCC[N+](=O)[O-])c(C)c1 ZINC000860911978 589131326 /nfs/dbraw/zinc/13/13/26/589131326.db2.gz ZIQUBSCTIJSZBT-UHFFFAOYSA-N 0 0 237.255 2.127 20 5 BEBDRN O=C(/C=C/C1CCCCC1)OCCC[N+](=O)[O-] ZINC000860915596 589131516 /nfs/dbraw/zinc/13/15/16/589131516.db2.gz UOQMOCXTJYHSLT-BQYQJAHWSA-N 0 0 241.287 2.333 20 5 BEBDRN C[C@H]1CCC[C@@H](CC(=O)OCCC[N+](=O)[O-])C1 ZINC000860915840 589131595 /nfs/dbraw/zinc/13/15/95/589131595.db2.gz JPUVJOQUQGTEAB-WDEREUQCSA-N 0 0 243.303 2.413 20 5 BEBDRN C[C@H]1CCC[C@H](CC(=O)OCCC[N+](=O)[O-])C1 ZINC000860915838 589131627 /nfs/dbraw/zinc/13/16/27/589131627.db2.gz JPUVJOQUQGTEAB-QWRGUYRKSA-N 0 0 243.303 2.413 20 5 BEBDRN O=C(/C=C\C1CCCCC1)OCCC[N+](=O)[O-] ZINC000860915597 589131676 /nfs/dbraw/zinc/13/16/76/589131676.db2.gz UOQMOCXTJYHSLT-FPLPWBNLSA-N 0 0 241.287 2.333 20 5 BEBDRN CCC(CC)CC(=O)OCCC[N+](=O)[O-] ZINC000860917819 589131953 /nfs/dbraw/zinc/13/19/53/589131953.db2.gz RCUJEHLQHZZPIC-UHFFFAOYSA-N 0 0 217.265 2.023 20 5 BEBDRN CC1(C)CC[C@H](C(=O)OCCC[N+](=O)[O-])C1 ZINC000860919713 589132121 /nfs/dbraw/zinc/13/21/21/589132121.db2.gz MJOBNSSLCJHIOK-VIFPVBQESA-N 0 0 229.276 2.023 20 5 BEBDRN O=[N+]([O-])c1ccnn1CCC(F)(F)Cl ZINC000863292553 589276774 /nfs/dbraw/zinc/27/67/74/589276774.db2.gz GVNZWWJKLWZSGG-UHFFFAOYSA-N 0 0 225.582 2.013 20 5 BEBDRN CCCOCOc1ccc([N+](=O)[O-])cc1OC ZINC000863299095 589277155 /nfs/dbraw/zinc/27/71/55/589277155.db2.gz DBQHCSLUZHIKOS-UHFFFAOYSA-N 0 0 241.243 2.366 20 5 BEBDRN CCCOCOc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000863319848 589279379 /nfs/dbraw/zinc/27/93/79/589279379.db2.gz RGKKPDVDCLCGDC-UHFFFAOYSA-N 0 0 240.259 2.370 20 5 BEBDRN CCC[C@H](C)CCCn1ncc([N+](=O)[O-])n1 ZINC000863370434 589284192 /nfs/dbraw/zinc/28/41/92/589284192.db2.gz CLNGXJSDVBKDQH-VIFPVBQESA-N 0 0 226.280 2.403 20 5 BEBDRN O=[N+]([O-])c1cnn(C[C@H]2CCCCC2(F)F)n1 ZINC000863371630 589284324 /nfs/dbraw/zinc/28/43/24/589284324.db2.gz QATOEHLTGDGUNO-SSDOTTSWSA-N 0 0 246.217 2.012 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1[C@H](C)C(=O)C(C)(C)C ZINC000865353361 589424427 /nfs/dbraw/zinc/42/44/27/589424427.db2.gz YJYUNVNDQYCVOO-SSDOTTSWSA-N 0 0 239.275 2.276 20 5 BEBDRN C[C@H](Cn1nccc1[N+](=O)[O-])C(C)(C)C ZINC000865354098 589424431 /nfs/dbraw/zinc/42/44/31/589424431.db2.gz NCQJLKWJRXLUTD-MRVPVSSYSA-N 0 0 211.265 2.474 20 5 BEBDRN C/C=C\CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865972290 589470850 /nfs/dbraw/zinc/47/08/50/589470850.db2.gz VJDBCDBVOBCEQE-IHWYPQMZSA-N 0 0 240.234 2.214 20 5 BEBDRN CC(C)(COC(=O)[C@@]12C[C@@H]1CCCC2)[N+](=O)[O-] ZINC000870467797 589666837 /nfs/dbraw/zinc/66/68/37/589666837.db2.gz LOGICGIAMUUGCZ-CABZTGNLSA-N 0 0 241.287 2.165 20 5 BEBDRN Cc1cn(Cc2coc(C3CC3)n2)nc1[N+](=O)[O-] ZINC000871749961 589805000 /nfs/dbraw/zinc/80/50/00/589805000.db2.gz VNAIFZMIWAPKCY-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN CCn1ncc(Nc2cccnc2[N+](=O)[O-])c1C ZINC000872778017 589969270 /nfs/dbraw/zinc/96/92/70/589969270.db2.gz YCEFQLOSGVGECH-UHFFFAOYSA-N 0 0 247.258 2.258 20 5 BEBDRN CCC[C@H](CC)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000873533504 590053136 /nfs/dbraw/zinc/05/31/36/590053136.db2.gz AYNIQYYKCUOYSL-BDAKNGLRSA-N 0 0 217.265 2.021 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC1CCC1 ZINC000874442694 590111229 /nfs/dbraw/zinc/11/12/29/590111229.db2.gz UMSHPWHATFZKPV-UHFFFAOYSA-N 0 0 248.282 2.494 20 5 BEBDRN COC[C@@H](Cn1cc([N+](=O)[O-])c(C)n1)C(C)C ZINC000877881583 590437444 /nfs/dbraw/zinc/43/74/44/590437444.db2.gz SRCXKDXXWOHHQM-SNVBAGLBSA-N 0 0 241.291 2.018 20 5 BEBDRN COC[C@H](Cn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000877887145 590439162 /nfs/dbraw/zinc/43/91/62/590439162.db2.gz CRMDDWKODVHWKE-JTQLQIEISA-N 0 0 241.291 2.018 20 5 BEBDRN O=C(NC[C@@H]1C=CCC1)c1ccccc1[N+](=O)[O-] ZINC000881491249 591215394 /nfs/dbraw/zinc/21/53/94/591215394.db2.gz ZFLUGLVBXKWXDC-SNVBAGLBSA-N 0 0 246.266 2.291 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cccc(CO)c2)nc1 ZINC000025150237 591323929 /nfs/dbraw/zinc/32/39/29/591323929.db2.gz RTMBSJCHMYXVGX-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1N[C@@H]1CC12CCC2 ZINC000882720499 591420668 /nfs/dbraw/zinc/42/06/68/591420668.db2.gz YVPYTEROBZIDCF-MRVPVSSYSA-N 0 0 237.234 2.483 20 5 BEBDRN C/C=C\COC(=O)c1ccc([N+](=O)[O-])s1 ZINC000214055426 591531246 /nfs/dbraw/zinc/53/12/46/591531246.db2.gz QCLCNASDXGNSHH-IHWYPQMZSA-N 0 0 227.241 2.389 20 5 BEBDRN O=C(Cc1cccc([N+](=O)[O-])c1)OCC1CC1 ZINC000131802593 591662748 /nfs/dbraw/zinc/66/27/48/591662748.db2.gz QUVWNKROJHUXTE-UHFFFAOYSA-N 0 0 235.239 2.091 20 5 BEBDRN CC1(C(=O)Oc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000132513218 591714964 /nfs/dbraw/zinc/71/49/64/591714964.db2.gz RQZCKZJMPNZXJS-UHFFFAOYSA-N 0 0 239.202 2.439 20 5 BEBDRN CCCCOC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000134812788 591952388 /nfs/dbraw/zinc/95/23/88/591952388.db2.gz OATFELDCBHRGIW-UHFFFAOYSA-N 0 0 237.255 2.481 20 5 BEBDRN CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000135059291 591980675 /nfs/dbraw/zinc/98/06/75/591980675.db2.gz HOEGGIGQJPCHGS-UHFFFAOYSA-N 0 0 242.662 2.388 20 5 BEBDRN Cc1cccc(N2C[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000884590187 591989448 /nfs/dbraw/zinc/98/94/48/591989448.db2.gz QNFXQGUZAZQWJU-AOOOYVTPSA-N 0 0 218.256 2.359 20 5 BEBDRN Cc1cc(N(C)CCCF)ncc1[N+](=O)[O-] ZINC000884856956 592024799 /nfs/dbraw/zinc/02/47/99/592024799.db2.gz NFUGKAFFMPSBAO-UHFFFAOYSA-N 0 0 227.239 2.094 20 5 BEBDRN CN(CCCF)c1c(Cl)cncc1[N+](=O)[O-] ZINC000884857068 592025173 /nfs/dbraw/zinc/02/51/73/592025173.db2.gz ORTJWORZTMHIJZ-UHFFFAOYSA-N 0 0 247.657 2.439 20 5 BEBDRN CCCNC(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000887623252 592535379 /nfs/dbraw/zinc/53/53/79/592535379.db2.gz ZWKBKWSMPWACST-UHFFFAOYSA-N 0 0 236.271 2.351 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2C)c1C ZINC000890462359 592700843 /nfs/dbraw/zinc/70/08/43/592700843.db2.gz ZUXWZTMGMLSIEP-PSASIEDQSA-N 0 0 248.282 2.350 20 5 BEBDRN O=[N+]([O-])c1ncccc1OC/C=C\Cl ZINC000255398190 631544850 /nfs/dbraw/zinc/54/48/50/631544850.db2.gz OGPZRTYYVFUANG-RQOWECAXSA-N 0 0 214.608 2.121 20 5 BEBDRN CCNc1cccc([N+](=O)[O-])c1C(C)=O ZINC000309062925 631817721 /nfs/dbraw/zinc/81/77/21/631817721.db2.gz XUCPDNOVEDNXSG-UHFFFAOYSA-N 0 0 208.217 2.229 20 5 BEBDRN Cc1ccc(OC[C@@H](O)C(C)C)c([N+](=O)[O-])c1 ZINC000310070358 632697986 /nfs/dbraw/zinc/69/79/86/632697986.db2.gz LOZULWUIMNTVFM-LLVKDONJSA-N 0 0 239.271 2.299 20 5 BEBDRN CCCCOC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000034303215 632789897 /nfs/dbraw/zinc/78/98/97/632789897.db2.gz KMUFWAPHDZTCMI-UHFFFAOYSA-N 0 0 238.243 2.134 20 5 BEBDRN CN(CCCF)C(=O)c1csc([N+](=O)[O-])c1 ZINC000895287121 636131804 /nfs/dbraw/zinc/13/18/04/636131804.db2.gz UHUJDPKKQUVNKU-UHFFFAOYSA-N 0 0 246.263 2.088 20 5 BEBDRN CCC[C@@H](C)CC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814043942 635749590 /nfs/dbraw/zinc/74/95/90/635749590.db2.gz LZJOAUGPBFIOPM-BDAKNGLRSA-N 0 0 217.265 2.021 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CC(CCO)C2)s1 ZINC000897231175 636277536 /nfs/dbraw/zinc/27/75/36/636277536.db2.gz AGQIPFRKYYGPIW-UHFFFAOYSA-N 0 0 242.300 2.229 20 5 BEBDRN CCCCNc1ccc([N+](=O)[O-])c2nonc21 ZINC000035121030 636801186 /nfs/dbraw/zinc/80/11/86/636801186.db2.gz GZVHDJVGMNEUMH-UHFFFAOYSA-N 0 0 236.231 2.343 20 5 BEBDRN O=[N+]([O-])c1ccc(CCOCc2cn[nH]c2)cc1 ZINC000902588282 637313107 /nfs/dbraw/zinc/31/31/07/637313107.db2.gz KEHVGDMYXZFMEX-UHFFFAOYSA-N 0 0 247.254 2.077 20 5 BEBDRN O=[N+]([O-])CCNCc1c(Cl)cccc1Cl ZINC000905039129 637560062 /nfs/dbraw/zinc/56/00/62/637560062.db2.gz RSRJIHLEVYXFIP-UHFFFAOYSA-N 0 0 249.097 2.360 20 5 BEBDRN CCc1nc2cc(NCC[N+](=O)[O-])ccc2o1 ZINC000905309657 637765624 /nfs/dbraw/zinc/76/56/24/637765624.db2.gz WPWARGUVLXMFDS-UHFFFAOYSA-N 0 0 235.243 2.079 20 5 BEBDRN COc1cc(Cl)ccc1NCC[N+](=O)[O-] ZINC000905336910 637780307 /nfs/dbraw/zinc/78/03/07/637780307.db2.gz YTSFUGIQECYCLM-UHFFFAOYSA-N 0 0 230.651 2.037 20 5 BEBDRN C[C@@H](NC(=O)C1=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000906201113 638103873 /nfs/dbraw/zinc/10/38/73/638103873.db2.gz LKEHBLLSCSQXOJ-SECBINFHSA-N 0 0 246.266 2.492 20 5 BEBDRN C[C@H](NC(=O)CCF)c1ccc([N+](=O)[O-])cc1 ZINC000908512669 639004309 /nfs/dbraw/zinc/00/43/09/639004309.db2.gz QLSDDAFDVMBUKO-QMMMGPOBSA-N 0 0 240.234 2.132 20 5 BEBDRN CC[C@@H](NCC[N+](=O)[O-])c1ccccc1F ZINC000930883691 639970901 /nfs/dbraw/zinc/97/09/01/639970901.db2.gz IILWSLDDDBSLNV-LLVKDONJSA-N 0 0 226.251 2.143 20 5 BEBDRN CCC(=O)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000060388842 640857750 /nfs/dbraw/zinc/85/77/50/640857750.db2.gz NWKIIVDZMPDMAO-UHFFFAOYSA-N 0 0 213.164 2.049 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000060756475 640887417 /nfs/dbraw/zinc/88/74/17/640887417.db2.gz KIKMIBDRFKZCOV-LDYMZIIASA-N 0 0 235.239 2.294 20 5 BEBDRN O=C(NC1CCC=CCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000925395529 641425893 /nfs/dbraw/zinc/42/58/93/641425893.db2.gz GPLFENAGLGEZEJ-UHFFFAOYSA-N 0 0 249.270 2.152 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]1C ZINC000914155760 641589014 /nfs/dbraw/zinc/58/90/14/641589014.db2.gz IZOCGVXQRGOQOG-SECBINFHSA-N 0 0 234.255 2.138 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]1C ZINC000914155761 641589340 /nfs/dbraw/zinc/58/93/40/641589340.db2.gz IZOCGVXQRGOQOG-VIFPVBQESA-N 0 0 234.255 2.138 20 5 BEBDRN Cc1c(OC(=O)[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000076609272 641816869 /nfs/dbraw/zinc/81/68/69/641816869.db2.gz ZLRUKZZVRIINKV-CBAPKCEASA-N 0 0 235.239 2.465 20 5 BEBDRN O=[N+]([O-])c1cn(CC[C@@H]2C[C@H]2C2CC2)cn1 ZINC000916558681 641946919 /nfs/dbraw/zinc/94/69/19/641946919.db2.gz PTRLYPMGVOEKIB-ZJUUUORDSA-N 0 0 221.260 2.228 20 5 BEBDRN O=[N+]([O-])c1ccnn1CC[C@@H]1C[C@H]1C1CC1 ZINC000916722037 641970398 /nfs/dbraw/zinc/97/03/98/641970398.db2.gz FZMPKOKTYNKDTR-ZJUUUORDSA-N 0 0 221.260 2.228 20 5 BEBDRN O=[N+]([O-])c1ccnn1C[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000916721617 641970208 /nfs/dbraw/zinc/97/02/08/641970208.db2.gz AEAHKZLBYISUIE-VWYCJHECSA-N 0 0 233.271 2.394 20 5 BEBDRN CCc1ccc(Cn2ccnc2[N+](=O)[O-])cc1 ZINC000918367943 642188041 /nfs/dbraw/zinc/18/80/41/642188041.db2.gz ARNBKTUBGZCMAM-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN O=[N+]([O-])c1nccn1CC1CCCCC1 ZINC000918343068 642189271 /nfs/dbraw/zinc/18/92/71/642189271.db2.gz KAEMMOKGQBRMQM-UHFFFAOYSA-N 0 0 209.249 2.372 20 5 BEBDRN O=[N+]([O-])c1nccn1CCC1CCCC1 ZINC000918370713 642191859 /nfs/dbraw/zinc/19/18/59/642191859.db2.gz YKYYEIVQAHTPLR-UHFFFAOYSA-N 0 0 209.249 2.372 20 5 BEBDRN CCc1cccc(Cn2ccnc2[N+](=O)[O-])c1 ZINC000918378700 642192121 /nfs/dbraw/zinc/19/21/21/642192121.db2.gz QNQLDQUCKXVWAK-UHFFFAOYSA-N 0 0 231.255 2.402 20 5 BEBDRN O=[N+]([O-])c1nccn1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000918387513 642194859 /nfs/dbraw/zinc/19/48/59/642194859.db2.gz PRYRLOKEABTDSB-KXUCPTDWSA-N 0 0 221.260 2.228 20 5 BEBDRN COc1ccc(Cn2ccnc2[N+](=O)[O-])cc1C ZINC000918386840 642195602 /nfs/dbraw/zinc/19/56/02/642195602.db2.gz MMZGNDZBGNTJPS-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN C/C=C\COC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000919251584 642314904 /nfs/dbraw/zinc/31/49/04/642314904.db2.gz FRNGWFDEDZWZKJ-IHWYPQMZSA-N 0 0 239.202 2.467 20 5 BEBDRN C[C@H]1C[C@H]1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000067902272 642716561 /nfs/dbraw/zinc/71/65/61/642716561.db2.gz SHGRKALCECIQTG-IUCAKERBSA-N 0 0 235.239 2.408 20 5 BEBDRN C[C@@H](O)COc1cc([N+](=O)[O-])ccc1Cl ZINC000083676623 643610532 /nfs/dbraw/zinc/61/05/32/643610532.db2.gz XNIPRSANAZDCFP-ZCFIWIBFSA-N 0 0 231.635 2.008 20 5 BEBDRN C[C@H](NCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000228504757 644163567 /nfs/dbraw/zinc/16/35/67/644163567.db2.gz BISUDBUDQHXTHO-ZETCQYMHSA-N 0 0 230.214 2.338 20 5 BEBDRN C[C@@H](NCCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000228508885 644163940 /nfs/dbraw/zinc/16/39/40/644163940.db2.gz WKQSPXTYXCNEGI-MRVPVSSYSA-N 0 0 244.241 2.381 20 5 BEBDRN CCNc1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000080550519 644275311 /nfs/dbraw/zinc/27/53/11/644275311.db2.gz KZEXUGYWLRTVCS-UHFFFAOYSA-N 0 0 214.196 2.174 20 5 BEBDRN CCc1ccc(OC(C)=O)c([N+](=O)[O-])c1 ZINC000080682034 644283263 /nfs/dbraw/zinc/28/32/63/644283263.db2.gz YVYGNEMDOGLFTH-UHFFFAOYSA-N 0 0 209.201 2.083 20 5 BEBDRN C/C=C\COC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000195786586 644401584 /nfs/dbraw/zinc/40/15/84/644401584.db2.gz IFYMPHLEENWYIT-IHWYPQMZSA-N 0 0 221.212 2.328 20 5 BEBDRN C[C@H](O)COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000083676508 644406821 /nfs/dbraw/zinc/40/68/21/644406821.db2.gz PHLRKPHMLAYSAN-LURJTMIESA-N 0 0 231.635 2.008 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1CSCCO ZINC000085975501 644453866 /nfs/dbraw/zinc/45/38/66/644453866.db2.gz AXQLTDPYZYCHEA-UHFFFAOYSA-N 0 0 247.703 2.474 20 5 BEBDRN O=[N+]([O-])c1ccc(CSC2COC2)cc1F ZINC000087226078 644484238 /nfs/dbraw/zinc/48/42/38/644484238.db2.gz JYSSBDAKXGUOJU-UHFFFAOYSA-N 0 0 243.259 2.366 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1Cn1ccnc1 ZINC000093097681 644677598 /nfs/dbraw/zinc/67/75/98/644677598.db2.gz YFRYTQUNVOIIGF-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN Cc1cnn(Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000094775056 644727222 /nfs/dbraw/zinc/72/72/22/644727222.db2.gz MGLKZFZEQALQEM-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN CC(C)[C@H](O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000304211785 644876941 /nfs/dbraw/zinc/87/69/41/644876941.db2.gz NPRKMYDLKONTQY-LLVKDONJSA-N 0 0 243.234 2.130 20 5 BEBDRN C[C@H](COC(=O)c1cccc(C2CC2)c1)[N+](=O)[O-] ZINC000847714464 645433407 /nfs/dbraw/zinc/43/34/07/645433407.db2.gz VCCLWBWSZCKELY-SECBINFHSA-N 0 0 249.266 2.386 20 5 BEBDRN CC1(C)CC(n2cc([N+](=O)[O-])cc(F)c2=O)C1 ZINC000865370700 645717480 /nfs/dbraw/zinc/71/74/80/645717480.db2.gz VPYXINQQVOJFPM-UHFFFAOYSA-N 0 0 240.234 2.257 20 5 BEBDRN C[C@@H](NC(=O)CCF)c1ccc([N+](=O)[O-])cc1 ZINC000928247130 645720785 /nfs/dbraw/zinc/72/07/85/645720785.db2.gz QLSDDAFDVMBUKO-MRVPVSSYSA-N 0 0 240.234 2.132 20 5 BEBDRN O=[N+]([O-])CCN1CCC[C@@H]1c1ccsc1 ZINC000929261730 646045403 /nfs/dbraw/zinc/04/54/03/646045403.db2.gz BIYRKOHBHVSXRT-SNVBAGLBSA-N 0 0 226.301 2.162 20 5 BEBDRN CC1(C)CN(CC[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000930015773 646395251 /nfs/dbraw/zinc/39/52/51/646395251.db2.gz MLXAANDVTMTAPI-LBPRGKRZSA-N 0 0 234.299 2.346 20 5 BEBDRN C[C@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000710837741 712257932 /nfs/dbraw/zinc/25/79/32/712257932.db2.gz PWZVCGSLVQZAFY-GZMMTYOYSA-N 0 0 222.244 2.042 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1OCCOC1CC1 ZINC000711685931 712317262 /nfs/dbraw/zinc/31/72/62/712317262.db2.gz BODXJTDUMUBVJC-UHFFFAOYSA-N 0 0 241.218 2.292 20 5 BEBDRN C[C@@H]1COCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000754080537 712406013 /nfs/dbraw/zinc/40/60/13/712406013.db2.gz ANKBUMUULNHTIQ-QMMMGPOBSA-N 0 0 242.300 2.129 20 5 BEBDRN CO[C@H]1C[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000714584412 712487909 /nfs/dbraw/zinc/48/79/09/712487909.db2.gz KOXZKKJWGHVYQV-ZKCHVHJHSA-N 0 0 242.300 2.493 20 5 BEBDRN Cc1cccc(N[C@H]2CC23CC(O)C3)c1[N+](=O)[O-] ZINC000724990935 711641326 /nfs/dbraw/zinc/64/13/26/711641326.db2.gz QTRKLHBXVMBZFG-QDYJBQRPSA-N 0 0 248.282 2.229 20 5 BEBDRN Cc1cc(N[C@@H]2CC23CC(O)C3)ccc1[N+](=O)[O-] ZINC000724990167 711641505 /nfs/dbraw/zinc/64/15/05/711641505.db2.gz KPOBBQUDEIQUPL-YXMLORGKSA-N 0 0 248.282 2.229 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2COC3(CCC3)C2)nc1 ZINC000711133706 712286083 /nfs/dbraw/zinc/28/60/83/712286083.db2.gz JUNKTYIQKYEWET-VIFPVBQESA-N 0 0 249.270 2.113 20 5 BEBDRN O=c1[nH]ccc(NC[C@H]2C=CCC2)c1[N+](=O)[O-] ZINC000711677489 712316006 /nfs/dbraw/zinc/31/60/06/712316006.db2.gz CAUCHAQEHVGMEZ-QMMMGPOBSA-N 0 0 235.243 2.074 20 5 BEBDRN O=C(OCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000714014289 712477407 /nfs/dbraw/zinc/47/74/07/712477407.db2.gz URLFGTNAMRVTLH-UHFFFAOYSA-N 0 0 239.202 2.301 20 5 BEBDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000716634541 712568141 /nfs/dbraw/zinc/56/81/41/712568141.db2.gz BRMONLOIXSASMU-YKDSUIRESA-N 0 0 248.286 2.089 20 5 BEBDRN CCCOC(=O)c1csc([N+](=O)[O-])c1 ZINC000037472406 712642757 /nfs/dbraw/zinc/64/27/57/712642757.db2.gz AIHQJZWNMASVSD-UHFFFAOYSA-N 0 0 215.230 2.223 20 5 BEBDRN CC(C)COC(=O)c1csc([N+](=O)[O-])c1 ZINC000080129060 712728558 /nfs/dbraw/zinc/72/85/58/712728558.db2.gz MLHMIHHCFFLBJM-UHFFFAOYSA-N 0 0 229.257 2.469 20 5 BEBDRN Cc1cc(N[C@]23C[C@H]2COC3)ccc1[N+](=O)[O-] ZINC000717968633 712735727 /nfs/dbraw/zinc/73/57/27/712735727.db2.gz VUACRZXGJZYAME-CABZTGNLSA-N 0 0 234.255 2.104 20 5 BEBDRN Cc1cccc(NC[C@H]2C[C@H](O)C2)c1[N+](=O)[O-] ZINC000720893728 712876168 /nfs/dbraw/zinc/87/61/68/712876168.db2.gz QEJRTKDDHAJELA-MGCOHNPYSA-N 0 0 236.271 2.086 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccc(Cl)o1 ZINC001345693755 957328337 /nfs/dbraw/zinc/32/83/37/957328337.db2.gz JVBWRDIMYQHHDX-ZCFIWIBFSA-N 0 0 247.634 2.145 20 5 BEBDRN COc1ncc([N+](=O)[O-])cc1NCC(C)C ZINC001161648308 964662180 /nfs/dbraw/zinc/66/21/80/964662180.db2.gz CNANGQBMTKIOKL-UHFFFAOYSA-N 0 0 225.248 2.066 20 5 BEBDRN O=[N+]([O-])C[C@H](OCCc1ccsc1)C1CC1 ZINC001224536315 964765070 /nfs/dbraw/zinc/76/50/70/964765070.db2.gz ZLELVJDZVQSFCH-NSHDSACASA-N 0 0 241.312 2.363 20 5 BEBDRN C[C@@H](OC[C@H](C)O)c1ccccc1[N+](=O)[O-] ZINC001205778652 967820892 /nfs/dbraw/zinc/82/08/92/967820892.db2.gz RCIDQXLEWSWTLZ-DTWKUNHWSA-N 0 0 225.244 2.053 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1OC1CC(O)C1 ZINC000085511156 1166411218 /nfs/dbraw/zinc/41/12/18/1166411218.db2.gz KEHBYEXHAMPYGG-UHFFFAOYSA-N 0 0 243.646 2.150 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(OC2CC2)cc1F ZINC000238607792 1166931187 /nfs/dbraw/zinc/93/11/87/1166931187.db2.gz SJPJUEOWNPXZPR-UHFFFAOYSA-N 0 0 215.155 2.414 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCC(F)F)s1 ZINC000308592861 1167191924 /nfs/dbraw/zinc/19/19/24/1167191924.db2.gz WPFVDIHFSWICEH-UHFFFAOYSA-N 0 0 223.204 2.118 20 5 BEBDRN Cc1nnc(-c2cc(F)ccc2[N+](=O)[O-])o1 ZINC000309117657 1167253824 /nfs/dbraw/zinc/25/38/24/1167253824.db2.gz MPJIVAGOSHAUJH-UHFFFAOYSA-N 0 0 223.163 2.092 20 5 BEBDRN Cc1ccnc(NCCC(F)F)c1[N+](=O)[O-] ZINC000309325197 1167290918 /nfs/dbraw/zinc/29/09/18/1167290918.db2.gz HXXJNJQIYBDSJT-UHFFFAOYSA-N 0 0 231.202 2.365 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(C)c1OC[C@H]1CCO1 ZINC001228571214 976328346 /nfs/dbraw/zinc/32/83/46/976328346.db2.gz MBGCYRUGHFHAGK-LLVKDONJSA-N 0 0 237.255 2.379 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC[C@@H]1C[C@H]1C ZINC000309511057 1167324720 /nfs/dbraw/zinc/32/47/20/1167324720.db2.gz XHWBZZRFMXEYOF-APPZFPTMSA-N 0 0 221.260 2.366 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC[C@@H]1C[C@@H]1C ZINC000309511059 1167324261 /nfs/dbraw/zinc/32/42/61/1167324261.db2.gz XHWBZZRFMXEYOF-CBAPKCEASA-N 0 0 221.260 2.366 20 5 BEBDRN CC(=O)[C@H](C)Oc1cc(C)cc([N+](=O)[O-])c1 ZINC001228834000 976512961 /nfs/dbraw/zinc/51/29/61/976512961.db2.gz XRWBINZIRXOKCV-VIFPVBQESA-N 0 0 223.228 2.260 20 5 BEBDRN O=[N+]([O-])c1ccc(F)c(Nc2cnoc2)c1 ZINC001175735982 977672179 /nfs/dbraw/zinc/67/21/79/977672179.db2.gz NICUKDHPRIPLLY-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H](C)C(C)(C)C ZINC001346196677 980779468 /nfs/dbraw/zinc/77/94/68/980779468.db2.gz HORGYUGBVADJNZ-RKDXNWHRSA-N 0 0 231.292 2.267 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C1=C(C)CCC1 ZINC001349805030 981748668 /nfs/dbraw/zinc/74/86/68/981748668.db2.gz DXEVBNKPKHJNNR-VIFPVBQESA-N 0 0 227.260 2.085 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(NCC(C)(C)C)n1 ZINC000080226509 982384261 /nfs/dbraw/zinc/38/42/61/982384261.db2.gz UBBBZPLVJUDDBM-UHFFFAOYSA-N 0 0 239.275 2.456 20 5 BEBDRN CO[C@H](C)COc1cccc([N+](=O)[O-])c1F ZINC001225794033 974684335 /nfs/dbraw/zinc/68/43/35/974684335.db2.gz GXQZGKJUWQBGHX-SSDOTTSWSA-N 0 0 229.207 2.148 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1cc(F)ccc1F)C1CC1 ZINC001225903333 974722854 /nfs/dbraw/zinc/72/28/54/974722854.db2.gz WUTGJHVQHRXXTL-NSHDSACASA-N 0 0 243.209 2.399 20 5 BEBDRN Cc1cc(OC[C@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000402313298 970779425 /nfs/dbraw/zinc/77/94/25/970779425.db2.gz QBDJNHPGFRSWHJ-LBPRGKRZSA-N 0 0 237.255 2.053 20 5 BEBDRN C[C@@H]1C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])CO1 ZINC000402377522 970794849 /nfs/dbraw/zinc/79/48/49/970794849.db2.gz KEJAXOYTBRIKLX-HTQZYQBOSA-N 0 0 240.234 2.323 20 5 BEBDRN C[C@H]1C[C@H]1c1nnc(-c2cc([N+](=O)[O-])ccn2)o1 ZINC001256616810 970881256 /nfs/dbraw/zinc/88/12/56/970881256.db2.gz JLCGZCAHQKIFRH-POYBYMJQSA-N 0 0 246.226 2.163 20 5 BEBDRN C[C@@H]1C[C@H]1c1nnc(-c2cc([N+](=O)[O-])ccn2)o1 ZINC001256616809 970881366 /nfs/dbraw/zinc/88/13/66/970881366.db2.gz JLCGZCAHQKIFRH-HTRCEHHLSA-N 0 0 246.226 2.163 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCc1ccns1 ZINC000404303705 971151494 /nfs/dbraw/zinc/15/14/94/971151494.db2.gz CBTIYTMVMVJTRI-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1ccccc1F)C1CC1 ZINC001225200751 974219163 /nfs/dbraw/zinc/21/91/63/974219163.db2.gz QWSIFOSSJBCVIO-LLVKDONJSA-N 0 0 225.219 2.260 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1O[C@H]1C[C@H](O)C1 ZINC001218360308 971724009 /nfs/dbraw/zinc/72/40/09/971724009.db2.gz MBLLFXSXTSWRKF-LJGSYFOKSA-N 0 0 243.646 2.150 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)c(O[C@H]2C[C@H](O)C2)c1 ZINC001218359577 971733770 /nfs/dbraw/zinc/73/37/70/971733770.db2.gz DLQOVFLQGRFDTD-ZKCHVHJHSA-N 0 0 243.646 2.150 20 5 BEBDRN CC(=O)[C@H](C)Oc1c(C)cc(F)cc1[N+](=O)[O-] ZINC001229198471 1169651900 /nfs/dbraw/zinc/65/19/00/1169651900.db2.gz MTVRAYVFUYUFHX-QMMMGPOBSA-N 0 0 241.218 2.399 20 5 BEBDRN O=[N+]([O-])c1cccc(O[C@H]2C[C@H](O)C2)c1Cl ZINC001218360555 971738188 /nfs/dbraw/zinc/73/81/88/971738188.db2.gz JTKFCABDCSLIJM-LJGSYFOKSA-N 0 0 243.646 2.150 20 5 BEBDRN CCC=CNc1ccc(OC)c([N+](=O)[O-])n1 ZINC001170763771 971749968 /nfs/dbraw/zinc/74/99/68/971749968.db2.gz KDSUKFWLVGNSQV-QPJJXVBHSA-N 0 0 223.232 2.334 20 5 BEBDRN CCCC=Nc1c(Cl)cncc1[N+](=O)[O-] ZINC001170767459 971766458 /nfs/dbraw/zinc/76/64/58/971766458.db2.gz ISKBUWAUFIOCPF-ONEGZZNKSA-N 0 0 227.651 2.401 20 5 BEBDRN CCC[C@@H](CC)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229452827 1169663382 /nfs/dbraw/zinc/66/33/82/1169663382.db2.gz WZPFDTDVFSVOBG-SECBINFHSA-N 0 0 240.259 2.186 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1OC1COC1 ZINC001225711044 974653774 /nfs/dbraw/zinc/65/37/74/974653774.db2.gz SGPAPGFMGOXUEL-UHFFFAOYSA-N 0 0 229.619 2.026 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2cnoc2)c1 ZINC001204416310 956934249 /nfs/dbraw/zinc/93/42/49/956934249.db2.gz VAJPRXFUZNTPGE-UHFFFAOYSA-N 0 0 205.173 2.326 20 5 BEBDRN CC(=O)CC(C)(C)Nc1cc([N+](=O)[O-])ccn1 ZINC001160294660 972255490 /nfs/dbraw/zinc/25/54/90/972255490.db2.gz MKYMJTVPNBZBOC-UHFFFAOYSA-N 0 0 237.259 2.159 20 5 BEBDRN Nc1cncc(Nc2ccc(F)c([N+](=O)[O-])c2)c1 ZINC001211190210 958053111 /nfs/dbraw/zinc/05/31/11/958053111.db2.gz AXEXSMNXVLVQLI-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN Nc1cccn1-c1ccc(F)c([N+](=O)[O-])c1 ZINC001211191265 958056251 /nfs/dbraw/zinc/05/62/51/958056251.db2.gz REKJWEPCXOKZOJ-UHFFFAOYSA-N 0 0 221.191 2.107 20 5 BEBDRN Cc1ccc(OC[C@@H](O)C2CC2)cc1[N+](=O)[O-] ZINC000402456791 958230216 /nfs/dbraw/zinc/23/02/16/958230216.db2.gz YAIZBDGSVDTJNW-GFCCVEGCSA-N 0 0 237.255 2.053 20 5 BEBDRN Cc1ccc(Nc2cnccn2)cc1[N+](=O)[O-] ZINC001213660224 959169916 /nfs/dbraw/zinc/16/99/16/959169916.db2.gz XCTTUJQOUCRVSO-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN O=[N+]([O-])c1c(Cl)cccc1O[C@H]1C[C@@H](O)C1 ZINC001218422114 960081023 /nfs/dbraw/zinc/08/10/23/960081023.db2.gz HOSJCMMSHQJRJG-KNVOCYPGSA-N 0 0 243.646 2.150 20 5 BEBDRN O=c1[nH]ccc(NCCC2CCC2)c1[N+](=O)[O-] ZINC000695469992 960262431 /nfs/dbraw/zinc/26/24/31/960262431.db2.gz WKJZAMLHAGSUJJ-UHFFFAOYSA-N 0 0 237.259 2.298 20 5 BEBDRN O=[N+]([O-])C[C@@H](OCc1ccco1)c1cccnc1 ZINC001223053686 961002557 /nfs/dbraw/zinc/00/25/57/961002557.db2.gz FQNCNALIZLEHQF-GFCCVEGCSA-N 0 0 248.238 2.209 20 5 BEBDRN O=[N+]([O-])C[C@H](OCc1ccsc1)C1CC1 ZINC001223337213 961222975 /nfs/dbraw/zinc/22/29/75/961222975.db2.gz VVLBUUJZGFERPR-JTQLQIEISA-N 0 0 227.285 2.320 20 5 BEBDRN Cc1ccc2c(ccnc2NC=N)c1[N+](=O)[O-] ZINC001167865120 961338935 /nfs/dbraw/zinc/33/89/35/961338935.db2.gz SJEPLNKOCIXSRA-UHFFFAOYSA-N 0 0 230.227 2.470 20 5 BEBDRN CC(C)[C@@H](C)Oc1ncccc1[N+](=O)[O-] ZINC001225592967 962354092 /nfs/dbraw/zinc/35/40/92/962354092.db2.gz JVHHCIJAHZLUBX-MRVPVSSYSA-N 0 0 210.233 2.413 20 5 BEBDRN Cc1ccnc(NC2CC(F)C2)c1[N+](=O)[O-] ZINC001154832999 962863294 /nfs/dbraw/zinc/86/32/94/962863294.db2.gz NCLTUMNHIQTEMT-UHFFFAOYSA-N 0 0 225.223 2.211 20 5 BEBDRN COc1cc(NCC(C)(C)C)cnc1[N+](=O)[O-] ZINC001161641944 962955983 /nfs/dbraw/zinc/95/59/83/962955983.db2.gz QGVIIHARXYLPSA-UHFFFAOYSA-N 0 0 239.275 2.456 20 5 BEBDRN Cc1ccc(CNc2cccc([N+](=O)[O-])n2)cn1 ZINC001155313984 963045812 /nfs/dbraw/zinc/04/58/12/963045812.db2.gz JWGIQKGQIQAXFA-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC[C@@H](C)Nc1cc([N+](=O)[O-])c2nccn2c1 ZINC001167998081 963202081 /nfs/dbraw/zinc/20/20/81/963202081.db2.gz AEUWGFNFHBDSOA-MRVPVSSYSA-N 0 0 234.259 2.453 20 5 BEBDRN CC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1NC ZINC001167999369 963210570 /nfs/dbraw/zinc/21/05/70/963210570.db2.gz OZUPKNBOJYXWIM-SSDOTTSWSA-N 0 0 224.264 2.242 20 5 BEBDRN CSCCCNc1cccc([N+](=O)[O-])n1 ZINC001155976972 963218604 /nfs/dbraw/zinc/21/86/04/963218604.db2.gz ZWEXUNJENGGHHY-UHFFFAOYSA-N 0 0 227.289 2.155 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2C[C@H]3C[C@H]3C2)cn1 ZINC001226708771 963308372 /nfs/dbraw/zinc/30/83/72/963308372.db2.gz CNKNVRGJRJVOJE-DIYOJNKTSA-N 0 0 220.228 2.167 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1nc2ccccc2o1)C1CC1 ZINC001226906970 963401208 /nfs/dbraw/zinc/40/12/08/963401208.db2.gz STTIHWZGJIIWQE-NSHDSACASA-N 0 0 248.238 2.262 20 5 BEBDRN CC[C@H](C)Nc1ncc(OC)cc1[N+](=O)[O-] ZINC001157230137 963557291 /nfs/dbraw/zinc/55/72/91/963557291.db2.gz JSFVKEDNGVYCIO-ZETCQYMHSA-N 0 0 225.248 2.209 20 5 BEBDRN CCCNc1cc(Cl)ncc1[N+](=O)[O-] ZINC001157358099 963582847 /nfs/dbraw/zinc/58/28/47/963582847.db2.gz IZTHZPLMYBKVSU-UHFFFAOYSA-N 0 0 215.640 2.465 20 5 BEBDRN CCCNc1cnc(Cl)cc1[N+](=O)[O-] ZINC001168130622 963814165 /nfs/dbraw/zinc/81/41/65/963814165.db2.gz KWWFESWONZDPJK-UHFFFAOYSA-N 0 0 215.640 2.465 20 5 BEBDRN CCCNc1cccc2ncc([N+](=O)[O-])n21 ZINC001168138001 963836262 /nfs/dbraw/zinc/83/62/62/963836262.db2.gz XADHWVINWSXNGF-UHFFFAOYSA-N 0 0 220.232 2.064 20 5 BEBDRN CCCNc1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001168142066 963847704 /nfs/dbraw/zinc/84/77/04/963847704.db2.gz WRIUZWLNBVODMA-UHFFFAOYSA-N 0 0 236.275 2.189 20 5 BEBDRN O=[N+]([O-])c1ncccc1NC[C@H]1C[C@H](F)C1 ZINC001168238071 964024689 /nfs/dbraw/zinc/02/46/89/964024689.db2.gz SDMSOOMONAIXLZ-ZKCHVHJHSA-N 0 0 225.223 2.150 20 5 BEBDRN C/C=C/C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001159513381 964123026 /nfs/dbraw/zinc/12/30/26/964123026.db2.gz RMGSXILYKNNOCQ-ONEGZZNKSA-N 0 0 220.228 2.418 20 5 BEBDRN Cc1nc(NC2CC3(CCC3)C2)ncc1[N+](=O)[O-] ZINC001161447286 964608050 /nfs/dbraw/zinc/60/80/50/964608050.db2.gz SRWXWWHFBXHSRX-UHFFFAOYSA-N 0 0 248.286 2.438 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(NC2CC3(CCC3)C2)n1 ZINC001161447018 964608740 /nfs/dbraw/zinc/60/87/40/964608740.db2.gz VMKCGZLDCNIFRI-UHFFFAOYSA-N 0 0 248.286 2.438 20 5 BEBDRN C[C@H](OC[C@@H]1CCO1)c1ccccc1[N+](=O)[O-] ZINC001224471221 964690234 /nfs/dbraw/zinc/69/02/34/964690234.db2.gz AWBWGIGCLXMCME-UWVGGRQHSA-N 0 0 237.255 2.461 20 5 BEBDRN CCC[C@H](C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC001161719170 964711344 /nfs/dbraw/zinc/71/13/44/964711344.db2.gz AGSVSBGCCTUQHT-ZETCQYMHSA-N 0 0 224.264 2.294 20 5 BEBDRN Cc1c(F)cnc(NCC(F)F)c1[N+](=O)[O-] ZINC001161809111 964765635 /nfs/dbraw/zinc/76/56/35/964765635.db2.gz DWIFDNZCQUSLIV-UHFFFAOYSA-N 0 0 235.165 2.114 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2C=CCC2)nc1 ZINC000698237346 965124055 /nfs/dbraw/zinc/12/40/55/965124055.db2.gz WSPIWGYTEPMQHY-QMMMGPOBSA-N 0 0 205.217 2.120 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C=CCC2)nc1 ZINC000698237342 965124551 /nfs/dbraw/zinc/12/45/51/965124551.db2.gz WSPIWGYTEPMQHY-MRVPVSSYSA-N 0 0 205.217 2.120 20 5 BEBDRN Cc1nc(N[C@H](C)c2ccno2)ccc1[N+](=O)[O-] ZINC001163207426 965300393 /nfs/dbraw/zinc/30/03/93/965300393.db2.gz MTHFKHHHZIGTDQ-MRVPVSSYSA-N 0 0 248.242 2.459 20 5 BEBDRN C[C@@H](Nc1cccc([N+](=O)[O-])n1)c1ccno1 ZINC001163208016 965303473 /nfs/dbraw/zinc/30/34/73/965303473.db2.gz HMUSGPWXKXBHPT-SSDOTTSWSA-N 0 0 234.215 2.151 20 5 BEBDRN O=[N+]([O-])c1ccc2c(ccnc2N2CCC2)c1 ZINC001163539372 965435925 /nfs/dbraw/zinc/43/59/25/965435925.db2.gz VYYVHHWKTXAUKY-UHFFFAOYSA-N 0 0 229.239 2.353 20 5 BEBDRN CCCOCCNc1ncc([N+](=O)[O-])cc1C ZINC000714974349 965572021 /nfs/dbraw/zinc/57/20/21/965572021.db2.gz GJAWEALXEDGISX-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN CCCOCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000714976666 965574174 /nfs/dbraw/zinc/57/41/74/965574174.db2.gz YXYQEAWVFICSOT-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN Cc1c(C)c(N2CC(C)(F)C2)ncc1[N+](=O)[O-] ZINC001164586189 965930883 /nfs/dbraw/zinc/93/08/83/965930883.db2.gz YEJUPFKQPDSRLE-UHFFFAOYSA-N 0 0 239.250 2.155 20 5 BEBDRN Nc1cc(N2CCC23CCCC3)ncc1[N+](=O)[O-] ZINC001165277595 966017434 /nfs/dbraw/zinc/01/74/34/966017434.db2.gz HJLGMRFDFWTNAQ-UHFFFAOYSA-N 0 0 248.286 2.095 20 5 BEBDRN Cc1cc(Nc2ccc([N+](=O)[O-])nc2)on1 ZINC001203559980 966692927 /nfs/dbraw/zinc/69/29/27/966692927.db2.gz DIRSIEJQSSXHGG-UHFFFAOYSA-N 0 0 220.188 2.030 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccccc2CO)cn1 ZINC001203571123 966694014 /nfs/dbraw/zinc/69/40/14/966694014.db2.gz HWXIWTKRRUBTIC-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccco2)cn1 ZINC001203570129 966694322 /nfs/dbraw/zinc/69/43/22/966694322.db2.gz SZSLOVBBYBGNSH-UHFFFAOYSA-N 0 0 205.173 2.326 20 5 BEBDRN Nc1ccc(O)c(Nc2ccc([N+](=O)[O-])nc2)c1 ZINC001203576332 966697122 /nfs/dbraw/zinc/69/71/22/966697122.db2.gz ZPYLEZKPOHAZOE-UHFFFAOYSA-N 0 0 246.226 2.021 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2ccno2)c1 ZINC001204416255 966997253 /nfs/dbraw/zinc/99/72/53/966997253.db2.gz SZLBHLGKHMXRGC-UHFFFAOYSA-N 0 0 205.173 2.326 20 5 BEBDRN O=C(NC/C=C/C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001117771648 967771460 /nfs/dbraw/zinc/77/14/60/967771460.db2.gz NNXPGFUEEIXLBM-NSCUHMNNSA-N 0 0 246.266 2.291 20 5 BEBDRN C[C@H](O)CO[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001205778653 967819810 /nfs/dbraw/zinc/81/98/10/967819810.db2.gz RCIDQXLEWSWTLZ-IUCAKERBSA-N 0 0 225.244 2.053 20 5 BEBDRN CCN(C)c1ncc([N+](=O)[O-])c(C)c1C ZINC001163583441 968071665 /nfs/dbraw/zinc/07/16/65/968071665.db2.gz ATKXXHRNHGDJSJ-UHFFFAOYSA-N 0 0 209.249 2.063 20 5 BEBDRN Cn1ccnc1Nc1ccccc1[N+](=O)[O-] ZINC001206140322 968081499 /nfs/dbraw/zinc/08/14/99/968081499.db2.gz QDRRMEQUKNUGJF-UHFFFAOYSA-N 0 0 218.216 2.072 20 5 BEBDRN COc1cncc(Nc2ccccc2[N+](=O)[O-])n1 ZINC001206144713 968087628 /nfs/dbraw/zinc/08/76/28/968087628.db2.gz PZXFTNUPLQXBPB-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN O=[N+]([O-])c1ccccc1Nc1ncccc1CO ZINC001206150365 968088115 /nfs/dbraw/zinc/08/81/15/968088115.db2.gz PQKRMRAJIPJVNA-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN Cc1c(N[C@@H](C)CCO)cc(F)cc1[N+](=O)[O-] ZINC001165905654 968300467 /nfs/dbraw/zinc/30/04/67/968300467.db2.gz PKEWYPBLCUKOPS-ZETCQYMHSA-N 0 0 242.250 2.225 20 5 BEBDRN C[C@@H](CCO)Nc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001165905457 968301265 /nfs/dbraw/zinc/30/12/65/968301265.db2.gz ONEKLMHSEDPQRN-QMMMGPOBSA-N 0 0 249.270 2.259 20 5 BEBDRN CC(C)(C)C(=N)Nc1ccc([N+](=O)[O-])c(N)n1 ZINC001155179541 968914197 /nfs/dbraw/zinc/91/41/97/968914197.db2.gz AEWGMCGOSXHVMI-UHFFFAOYSA-N 0 0 237.263 2.007 20 5 BEBDRN Cc1nnc([C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC001253371441 969141088 /nfs/dbraw/zinc/14/10/88/969141088.db2.gz YAFPIKYBNOWJLD-SSDOTTSWSA-N 0 0 233.227 2.438 20 5 BEBDRN Cc1nnc(-c2cc3ccc([N+](=O)[O-])cc3[nH]2)o1 ZINC001253382460 969146997 /nfs/dbraw/zinc/14/69/97/969146997.db2.gz LXISMUAZFRSRHC-UHFFFAOYSA-N 0 0 244.210 2.435 20 5 BEBDRN Cc1nnc(Cc2ccc(F)c([N+](=O)[O-])c2)o1 ZINC001253409980 969164077 /nfs/dbraw/zinc/16/40/77/969164077.db2.gz MVGJOLDYNCZBAW-UHFFFAOYSA-N 0 0 237.190 2.016 20 5 BEBDRN Cc1nccnc1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209931955 969696803 /nfs/dbraw/zinc/69/68/03/969696803.db2.gz GNXURTGJHZZTFF-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN Nc1ccc(Nc2cncc(O)c2)cc1[N+](=O)[O-] ZINC001209934935 969696822 /nfs/dbraw/zinc/69/68/22/969696822.db2.gz RMPWCVGDCHIKAS-UHFFFAOYSA-N 0 0 246.226 2.021 20 5 BEBDRN Nc1ccc(Nc2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC001209933094 969697016 /nfs/dbraw/zinc/69/70/16/969697016.db2.gz XVCGSYMIEIOOHF-UHFFFAOYSA-N 0 0 246.226 2.021 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1[CH]CC=C1)C2 ZINC001254589192 969743449 /nfs/dbraw/zinc/74/34/49/969743449.db2.gz NNAWQYGHHLFCQI-OLZOCXBDSA-N 0 0 243.286 2.184 20 5 BEBDRN COc1ncc(Nc2cccnc2)cc1[N+](=O)[O-] ZINC001210134042 969806521 /nfs/dbraw/zinc/80/65/21/969806521.db2.gz DNAWQNGNLJCQDO-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2ccon2)ccc1O ZINC001210393086 969882216 /nfs/dbraw/zinc/88/22/16/969882216.db2.gz VWINESLTRXQDQU-UHFFFAOYSA-N 0 0 221.172 2.032 20 5 BEBDRN Nc1cncc(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210393728 969884252 /nfs/dbraw/zinc/88/42/52/969884252.db2.gz HQRSXJLMIJAQDI-UHFFFAOYSA-N 0 0 246.226 2.021 20 5 BEBDRN Cc1cnn(C)c1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210394101 969884302 /nfs/dbraw/zinc/88/43/02/969884302.db2.gz NZZJSHIBOBPVTG-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2nnc(C3CCC3)o2)nc1 ZINC001255220700 970006908 /nfs/dbraw/zinc/00/69/08/970006908.db2.gz JBALYGDVTUFLOD-UHFFFAOYSA-N 0 0 246.226 2.307 20 5 BEBDRN Cn1cnc(Nc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001210949704 970083692 /nfs/dbraw/zinc/08/36/92/970083692.db2.gz MSHGEMSVVDTTBI-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2ccnnc2)ccc1F ZINC001211190689 970169487 /nfs/dbraw/zinc/16/94/87/970169487.db2.gz ZVBSGBSFUMJZJH-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN Cn1ccc(Nc2ccc(F)c([N+](=O)[O-])c2)n1 ZINC001211189595 970169852 /nfs/dbraw/zinc/16/98/52/970169852.db2.gz ZHWLXWAKNMVFBZ-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NCc1ccccc1 ZINC001255505429 970270544 /nfs/dbraw/zinc/27/05/44/970270544.db2.gz WEHQBHLSTJHGHE-UHFFFAOYSA-N 0 0 243.266 2.332 20 5 BEBDRN Cc1cc(OC[C@@H](O)C(C)C)ccc1[N+](=O)[O-] ZINC000302280377 970424887 /nfs/dbraw/zinc/42/48/87/970424887.db2.gz BLJQOKFSXOIZDB-GFCCVEGCSA-N 0 0 239.271 2.299 20 5 BEBDRN CC(=O)[C@@H](C)OCc1cccc([N+](=O)[O-])c1 ZINC001222769504 972690075 /nfs/dbraw/zinc/69/00/75/972690075.db2.gz UXCVGQLWGMGIOJ-SECBINFHSA-N 0 0 223.228 2.089 20 5 BEBDRN O=[N+]([O-])c1cccc(COC2CC3(COC3)C2)c1 ZINC001222769283 972691032 /nfs/dbraw/zinc/69/10/32/972691032.db2.gz SRGYVFJRFJXKAB-UHFFFAOYSA-N 0 0 249.266 2.290 20 5 BEBDRN O=[N+]([O-])c1ccc(COC2CCOCC2)cc1 ZINC001222789978 972697986 /nfs/dbraw/zinc/69/79/86/972697986.db2.gz QMMLLSFFZPXTOK-UHFFFAOYSA-N 0 0 237.255 2.290 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1COC1CC1 ZINC001223106930 972842187 /nfs/dbraw/zinc/84/21/87/972842187.db2.gz HSLLYXLWIDRKTB-UHFFFAOYSA-N 0 0 223.228 2.282 20 5 BEBDRN CC(=O)[C@H](C)OCc1cccc([N+](=O)[O-])c1C ZINC001223331192 972961002 /nfs/dbraw/zinc/96/10/02/972961002.db2.gz HMEGARCYOGQNEJ-JTQLQIEISA-N 0 0 237.255 2.397 20 5 BEBDRN COC[C@H](C)OCc1cccc([N+](=O)[O-])c1C ZINC001223333577 972961813 /nfs/dbraw/zinc/96/18/13/972961813.db2.gz YGFMXEXSBJBPDM-VIFPVBQESA-N 0 0 239.271 2.455 20 5 BEBDRN Cc1cccc(CO[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC001223659751 973212108 /nfs/dbraw/zinc/21/21/08/973212108.db2.gz UTKVYIHZWOVFRE-LLVKDONJSA-N 0 0 237.255 2.209 20 5 BEBDRN C[C@@H](O[C@@H](C[N+](=O)[O-])C1CC1)c1nccs1 ZINC001224008180 973402027 /nfs/dbraw/zinc/40/20/27/973402027.db2.gz UCQZGOFYKZRGSE-APPZFPTMSA-N 0 0 242.300 2.276 20 5 BEBDRN C[C@H](OC1COC1)c1ccc([N+](=O)[O-])cc1 ZINC001224020618 973410476 /nfs/dbraw/zinc/41/04/76/973410476.db2.gz YSZOIDNXZJLYSR-QMMMGPOBSA-N 0 0 223.228 2.071 20 5 BEBDRN O=[N+]([O-])C[C@H](O[C@@H]1Cc2ccccc21)C1CC1 ZINC001224062420 973437995 /nfs/dbraw/zinc/43/79/95/973437995.db2.gz LNWAGECUVQLPDH-OLZOCXBDSA-N 0 0 233.267 2.356 20 5 BEBDRN CC(C)=CCCO[C@H](C[N+](=O)[O-])C1CC1 ZINC001224716195 973885533 /nfs/dbraw/zinc/88/55/33/973885533.db2.gz HGEUIOIKPCGBCI-LLVKDONJSA-N 0 0 213.277 2.415 20 5 BEBDRN C[C@H](OCC1COC1)c1cccc([N+](=O)[O-])c1 ZINC001224748459 973912628 /nfs/dbraw/zinc/91/26/28/973912628.db2.gz OXETVJKNVCNBGB-VIFPVBQESA-N 0 0 237.255 2.319 20 5 BEBDRN O=[N+]([O-])C[C@H](OCCC1CC1)c1cccnc1 ZINC001224759101 973926664 /nfs/dbraw/zinc/92/66/64/973926664.db2.gz TYUXLCYPMVIGAX-LBPRGKRZSA-N 0 0 236.271 2.216 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CCC[C@H](F)C1 ZINC001330042566 974083103 /nfs/dbraw/zinc/08/31/03/974083103.db2.gz SWUBVXZISFVTQC-VIFPVBQESA-N 0 0 239.250 2.237 20 5 BEBDRN CC[C@H](CC(F)F)Cn1ncc([N+](=O)[O-])c1N ZINC001330059267 974087181 /nfs/dbraw/zinc/08/71/81/974087181.db2.gz KKOZULKIFDWLMJ-ZCFIWIBFSA-N 0 0 248.233 2.055 20 5 BEBDRN O=[N+]([O-])c1ccccc1Nc1ncccc1O ZINC001206140307 974092069 /nfs/dbraw/zinc/09/20/69/974092069.db2.gz POXKLUZSNNUTMI-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1ccc(F)cc1)C1CC1 ZINC001225248463 974308875 /nfs/dbraw/zinc/30/88/75/974308875.db2.gz XNPXNJOJVJHSFN-NSHDSACASA-N 0 0 225.219 2.260 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1ccc(Cl)cn1)C1CC1 ZINC001225275581 974340043 /nfs/dbraw/zinc/34/00/43/974340043.db2.gz UYVWVHCTGDFMLF-VIFPVBQESA-N 0 0 242.662 2.169 20 5 BEBDRN COC(=O)c1ccc([N+](=O)[O-])cc1OC(C)C ZINC001225449735 974497630 /nfs/dbraw/zinc/49/76/30/974497630.db2.gz ZRCJOUUWNLMZNT-UHFFFAOYSA-N 0 0 239.227 2.169 20 5 BEBDRN CC(=O)c1ccccc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001225573322 974559291 /nfs/dbraw/zinc/55/92/91/974559291.db2.gz BAYXAXRRDOAMSM-CYBMUJFWSA-N 0 0 249.266 2.323 20 5 BEBDRN C[C@@H](Oc1cccnc1[N+](=O)[O-])C1CC1 ZINC001225628602 974601749 /nfs/dbraw/zinc/60/17/49/974601749.db2.gz PWCZMLNLTRMCDD-SSDOTTSWSA-N 0 0 208.217 2.167 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(O[C@@H]2COC[C@H]2F)c1 ZINC001225679616 974641979 /nfs/dbraw/zinc/64/19/79/974641979.db2.gz ZFEOHRDFYCTRFM-LDYMZIIASA-N 0 0 241.218 2.019 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1cccc(F)c1F)C1CC1 ZINC001225924721 974732499 /nfs/dbraw/zinc/73/24/99/974732499.db2.gz QWTHJLMOMHFOAX-JTQLQIEISA-N 0 0 243.209 2.399 20 5 BEBDRN C[C@H]1COC[C@@H]1Oc1c(F)cccc1[N+](=O)[O-] ZINC001226007081 974760543 /nfs/dbraw/zinc/76/05/43/974760543.db2.gz JLPSZDJJEAXUKQ-XVKPBYJWSA-N 0 0 241.218 2.148 20 5 BEBDRN CCO[C@H](C)COc1nccc(C)c1[N+](=O)[O-] ZINC001226117956 974797727 /nfs/dbraw/zinc/79/77/27/974797727.db2.gz HEDFIRZCRSTRQF-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN O=[N+]([O-])c1cnn(Cc2ccccc2C2CC2)n1 ZINC001331729194 974807683 /nfs/dbraw/zinc/80/76/83/974807683.db2.gz DENMZFVPUYVZEJ-UHFFFAOYSA-N 0 0 244.254 2.112 20 5 BEBDRN O=[N+]([O-])C[C@@H](OCC1CCC1)c1cccnc1 ZINC001206175914 974939733 /nfs/dbraw/zinc/93/97/33/974939733.db2.gz FTRILAKUELFBLH-GFCCVEGCSA-N 0 0 236.271 2.216 20 5 BEBDRN CCC(=O)[C@H](CC)Oc1ccc([N+](=O)[O-])nc1 ZINC001226711825 975044897 /nfs/dbraw/zinc/04/48/97/975044897.db2.gz GUNKJPUMQSAODX-JTQLQIEISA-N 0 0 238.243 2.126 20 5 BEBDRN CC(C)C[C@H](C)Oc1ncc([N+](=O)[O-])cn1 ZINC001226732379 975051428 /nfs/dbraw/zinc/05/14/28/975051428.db2.gz UWSFWDPUYWOLLR-QMMMGPOBSA-N 0 0 225.248 2.198 20 5 BEBDRN CCCC[C@H](C)Oc1ncc([N+](=O)[O-])cn1 ZINC001226730373 975051822 /nfs/dbraw/zinc/05/18/22/975051822.db2.gz DUATUDUUXGDEGE-QMMMGPOBSA-N 0 0 225.248 2.342 20 5 BEBDRN CC[C@@H](C)[C@@H](C)Oc1ncc([N+](=O)[O-])cn1 ZINC001226733018 975052497 /nfs/dbraw/zinc/05/24/97/975052497.db2.gz DWMBPKXRAMVNRV-HTQZYQBOSA-N 0 0 225.248 2.198 20 5 BEBDRN CC[C@@H](C)Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226751805 975056217 /nfs/dbraw/zinc/05/62/17/975056217.db2.gz SSNBUCWBKUNPGF-ZCFIWIBFSA-N 0 0 214.196 2.306 20 5 BEBDRN C[C@H](Oc1ncc(F)cc1[N+](=O)[O-])C1CC1 ZINC001226753578 975059997 /nfs/dbraw/zinc/05/99/97/975059997.db2.gz HVWXVQYVJVGNQE-LURJTMIESA-N 0 0 226.207 2.306 20 5 BEBDRN CO[C@H](C)CCOc1ncc([N+](=O)[O-])cc1C ZINC001226761499 975063006 /nfs/dbraw/zinc/06/30/06/975063006.db2.gz ITCVQTPMBLAKPA-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1OC1CCC1 ZINC001226762270 975063968 /nfs/dbraw/zinc/06/39/68/975063968.db2.gz SLRWKSBPBZTOIA-UHFFFAOYSA-N 0 0 208.217 2.230 20 5 BEBDRN CC[C@H](COc1ncc([N+](=O)[O-])cc1C)OC ZINC001226764033 975065742 /nfs/dbraw/zinc/06/57/42/975065742.db2.gz DSWVBHHRJDGQFZ-SNVBAGLBSA-N 0 0 240.259 2.102 20 5 BEBDRN CC[C@@H](COc1ncc([N+](=O)[O-])cc1C)OC ZINC001226764032 975067202 /nfs/dbraw/zinc/06/72/02/975067202.db2.gz DSWVBHHRJDGQFZ-JTQLQIEISA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1cc(O[C@@H]2COC[C@H]2F)ccc1[N+](=O)[O-] ZINC001226841821 975118262 /nfs/dbraw/zinc/11/82/62/975118262.db2.gz OTGFRCGTXOOUPO-MWLCHTKSSA-N 0 0 241.218 2.019 20 5 BEBDRN CC[C@H](COc1nc(C)ccc1[N+](=O)[O-])OC ZINC001227063207 975246916 /nfs/dbraw/zinc/24/69/16/975246916.db2.gz BUUPLFTZNXVRTF-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN CC[C@@H](C)Oc1nc(C)ccc1[N+](=O)[O-] ZINC001227062014 975248027 /nfs/dbraw/zinc/24/80/27/975248027.db2.gz FXRBAVSGPKLWHM-MRVPVSSYSA-N 0 0 210.233 2.476 20 5 BEBDRN COC(=O)c1cccc([N+](=O)[O-])c1OC(C)C ZINC001227123127 975286550 /nfs/dbraw/zinc/28/65/50/975286550.db2.gz RKZNCEXRYKHBGZ-UHFFFAOYSA-N 0 0 239.227 2.169 20 5 BEBDRN CCO[C@H](C)COc1ncc(C)cc1[N+](=O)[O-] ZINC001227236601 975321441 /nfs/dbraw/zinc/32/14/41/975321441.db2.gz ILMILDJXDXKBKQ-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN O=[N+]([O-])c1ccccc1O[C@H]1CCCOC1 ZINC001227479419 975459442 /nfs/dbraw/zinc/45/94/42/975459442.db2.gz HOLKDPQDICQGFD-VIFPVBQESA-N 0 0 223.228 2.153 20 5 BEBDRN COC[C@H](C)Oc1ccccc1[N+](=O)[O-] ZINC001227481796 975460303 /nfs/dbraw/zinc/46/03/03/975460303.db2.gz ZOSFGIVLIJSVAF-QMMMGPOBSA-N 0 0 211.217 2.009 20 5 BEBDRN CO[C@H](C)CCOc1ccccc1[N+](=O)[O-] ZINC001227479724 975462794 /nfs/dbraw/zinc/46/27/94/975462794.db2.gz JBQHUNUHUUGHEG-SECBINFHSA-N 0 0 225.244 2.399 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2CCn3ccnc32)cc1 ZINC001227521889 975502575 /nfs/dbraw/zinc/50/25/75/975502575.db2.gz XSEQRHVBYOPKCF-NSHDSACASA-N 0 0 245.238 2.315 20 5 BEBDRN Cc1ccc(O)c(O[C@H](C[N+](=O)[O-])C2CC2)c1 ZINC001227538784 975527190 /nfs/dbraw/zinc/52/71/90/975527190.db2.gz LRMGUZDJDDEZRL-GFCCVEGCSA-N 0 0 237.255 2.135 20 5 BEBDRN O=[N+]([O-])c1cncc(OC2CCCC2)c1 ZINC001227988759 975833853 /nfs/dbraw/zinc/83/38/53/975833853.db2.gz XCNTUQZLVMZHBY-UHFFFAOYSA-N 0 0 208.217 2.311 20 5 BEBDRN O=[N+]([O-])c1cncc(OC2CC(F)(F)C2)c1 ZINC001227987224 975834005 /nfs/dbraw/zinc/83/40/05/975834005.db2.gz GNUHUODBFVMTKG-UHFFFAOYSA-N 0 0 230.170 2.166 20 5 BEBDRN Cc1ccc(O)cc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001228067904 975887958 /nfs/dbraw/zinc/88/79/58/975887958.db2.gz CFGNTLCKHTYCKU-LBPRGKRZSA-N 0 0 237.255 2.135 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1N[C@H]1CC[C@@H]1C ZINC001334216031 976381125 /nfs/dbraw/zinc/38/11/25/976381125.db2.gz WHYLOMSAKVBLPF-CBAPKCEASA-N 0 0 237.259 2.209 20 5 BEBDRN O=[N+]([O-])c1cncnc1O[C@@H]1CCCC[C@H]1F ZINC001228654974 976408700 /nfs/dbraw/zinc/40/87/00/976408700.db2.gz OCUGRQGRJHECCR-VXNVDRBHSA-N 0 0 241.222 2.044 20 5 BEBDRN O=[N+]([O-])c1cncnc1O[C@@H]1CCCC[C@@H]1F ZINC001228654972 976410356 /nfs/dbraw/zinc/41/03/56/976410356.db2.gz OCUGRQGRJHECCR-IONNQARKSA-N 0 0 241.222 2.044 20 5 BEBDRN C[C@@H]1CCCC[C@@H]1Oc1ncncc1[N+](=O)[O-] ZINC001228656080 976412909 /nfs/dbraw/zinc/41/29/09/976412909.db2.gz YWVUBTVVQPZQRA-SCZZXKLOSA-N 0 0 237.259 2.342 20 5 BEBDRN CC[C@H](CO)Sc1cccc([N+](=O)[O-])c1 ZINC001334309593 976436627 /nfs/dbraw/zinc/43/66/27/976436627.db2.gz QEDWBASJSURZRV-SECBINFHSA-N 0 0 227.285 2.458 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@@H]2CCO2)cc1Cl ZINC001228757414 976484876 /nfs/dbraw/zinc/48/48/76/976484876.db2.gz UMEWTZSALPXMIL-QMMMGPOBSA-N 0 0 243.646 2.416 20 5 BEBDRN C[C@H](Oc1cnccc1[N+](=O)[O-])C1CC1 ZINC001228880266 976549178 /nfs/dbraw/zinc/54/91/78/976549178.db2.gz SAUDPNLATYKUJJ-ZETCQYMHSA-N 0 0 208.217 2.167 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2CC2)nc1Cl ZINC001228933544 976591167 /nfs/dbraw/zinc/59/11/67/976591167.db2.gz HBLHYUAURQECSG-UHFFFAOYSA-N 0 0 214.608 2.184 20 5 BEBDRN CCN1CC(Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229119150 976754650 /nfs/dbraw/zinc/75/46/50/976754650.db2.gz LXZHGMGIQXDBEH-BQYQJAHWSA-N 0 0 248.282 2.017 20 5 BEBDRN O=c1ccc(Nc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001174475966 976791603 /nfs/dbraw/zinc/79/16/03/976791603.db2.gz UVEBMXJNFXPRSE-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN Cc1nccc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC001174475888 976791804 /nfs/dbraw/zinc/79/18/04/976791804.db2.gz QBNDJBSSHNKLLG-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN CC(C)Oc1n[nH]c(=O)c2cccc([N+](=O)[O-])c21 ZINC001229375238 976851241 /nfs/dbraw/zinc/85/12/41/976851241.db2.gz XKMHLLACYZQOJV-UHFFFAOYSA-N 0 0 249.226 2.031 20 5 BEBDRN C=CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC001335301683 976941373 /nfs/dbraw/zinc/94/13/73/976941373.db2.gz XEGGBNSMPGJMRW-UHFFFAOYSA-N 0 0 220.228 2.336 20 5 BEBDRN C=Cn1c2ccccc2nc2cc(N)c(=O)cc1-2 ZINC001174787321 977021072 /nfs/dbraw/zinc/02/10/72/977021072.db2.gz SCYVAQZPIJPICQ-UHFFFAOYSA-N 0 0 237.262 2.184 20 5 BEBDRN Cc1ccc(O[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001230144253 977119062 /nfs/dbraw/zinc/11/90/62/977119062.db2.gz UCTQFMWFEODRER-SNVBAGLBSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cc(OC2CC(=O)C2)cc([N+](=O)[O-])c1C ZINC001230477934 977219185 /nfs/dbraw/zinc/21/91/85/977219185.db2.gz QHHYALWPKSPOSS-UHFFFAOYSA-N 0 0 235.239 2.322 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC12CCC2 ZINC001335872519 977340125 /nfs/dbraw/zinc/34/01/25/977340125.db2.gz MRMZRXFUTCEORF-SNVBAGLBSA-N 0 0 233.271 2.075 20 5 BEBDRN Cc1ccc(C)c([N+](=O)[O-])c1OC[C@@H]1CCO1 ZINC001231060342 977453138 /nfs/dbraw/zinc/45/31/38/977453138.db2.gz NZRQZHFEJXCGGE-JTQLQIEISA-N 0 0 237.255 2.379 20 5 BEBDRN Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCOC1 ZINC001231059905 977458117 /nfs/dbraw/zinc/45/81/17/977458117.db2.gz LPMBOOUVJUHOAO-SNVBAGLBSA-N 0 0 237.255 2.379 20 5 BEBDRN Cn1cc(Nc2cc([N+](=O)[O-])ccc2F)cn1 ZINC001175735581 977667890 /nfs/dbraw/zinc/66/78/90/977667890.db2.gz XDSYSIXHVUIFKS-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1F ZINC001336528429 977753979 /nfs/dbraw/zinc/75/39/79/977753979.db2.gz XJZPZRVEZHXLMZ-HTRCEHHLSA-N 0 0 242.181 2.030 20 5 BEBDRN Nc1cccn1-c1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175900708 977811235 /nfs/dbraw/zinc/81/12/35/977811235.db2.gz DCNJWUDNFQBMQF-VQHVLOKHSA-N 0 0 229.239 2.307 20 5 BEBDRN CCC(=O)N1CCc2c1ccc([N+](=O)[O-])c2F ZINC001337785250 978496087 /nfs/dbraw/zinc/49/60/87/978496087.db2.gz OVCAXEADSDEBLP-UHFFFAOYSA-N 0 0 238.218 2.033 20 5 BEBDRN C[C@H](Oc1ccnc([N+](=O)[O-])c1)C(F)(F)F ZINC001233855188 978712646 /nfs/dbraw/zinc/71/26/46/978712646.db2.gz OWOUFQXLFGEOME-YFKPBYRVSA-N 0 0 236.149 2.319 20 5 BEBDRN COc1cc(CC[N+](=O)[O-])ccc1OC1CC1 ZINC001233986178 978748140 /nfs/dbraw/zinc/74/81/40/978748140.db2.gz IVODLWNYQNUZIQ-UHFFFAOYSA-N 0 0 237.255 2.056 20 5 BEBDRN CCc1cccnc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001234576468 978862240 /nfs/dbraw/zinc/86/22/40/978862240.db2.gz AODJONVSQZOZHS-LLVKDONJSA-N 0 0 236.271 2.078 20 5 BEBDRN CC1(C)CC(Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001339773877 978909994 /nfs/dbraw/zinc/90/99/94/978909994.db2.gz MQWNFTIKBHAFPZ-UHFFFAOYSA-N 0 0 236.275 2.173 20 5 BEBDRN Cc1nccc([N+](=O)[O-])c1OC1CCC1 ZINC001234903595 978927566 /nfs/dbraw/zinc/92/75/66/978927566.db2.gz OMGNLSHOXAZQFT-UHFFFAOYSA-N 0 0 208.217 2.230 20 5 BEBDRN Cc1occc1CNc1c(C)cncc1[N+](=O)[O-] ZINC001341738194 979539843 /nfs/dbraw/zinc/53/98/43/979539843.db2.gz XRPAFTDDCCUAJE-UHFFFAOYSA-N 0 0 247.254 2.234 20 5 BEBDRN C[C@@H]1CC[C@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC001341883377 979587806 /nfs/dbraw/zinc/58/78/06/979587806.db2.gz TUKFYIWIKLZFMZ-RKDXNWHRSA-N 0 0 246.270 2.453 20 5 BEBDRN Cc1cccc(Nc2c([N+](=O)[O-])cnn2C)c1 ZINC001184580754 980108604 /nfs/dbraw/zinc/10/86/04/980108604.db2.gz VBEJUWANBOZXGK-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001343678533 980187685 /nfs/dbraw/zinc/18/76/85/980187685.db2.gz BLYXNZYWOHOVNS-DBIOUOCHSA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001344401527 980388273 /nfs/dbraw/zinc/38/82/73/980388273.db2.gz CFNVEWMUARPYEG-OPRDCNLKSA-N 0 0 243.303 2.267 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CCCC1CC1 ZINC001344404294 980389106 /nfs/dbraw/zinc/38/91/06/980389106.db2.gz SLIBNQCLFWKVNU-SNVBAGLBSA-N 0 0 229.276 2.165 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)CCCC1CC1 ZINC001344404293 980389467 /nfs/dbraw/zinc/38/94/67/980389467.db2.gz SLIBNQCLFWKVNU-JTQLQIEISA-N 0 0 229.276 2.165 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(Oc2ncccn2)c1 ZINC001186789443 980444989 /nfs/dbraw/zinc/44/49/89/980444989.db2.gz CHYJDZOHSRUANA-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1(C)CCC(C)CC1 ZINC001345018818 980522321 /nfs/dbraw/zinc/52/23/21/980522321.db2.gz KIQQNEIERSTAOD-SQLBVSGCSA-N 0 0 243.303 2.411 20 5 BEBDRN CC1(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC001345066152 980537665 /nfs/dbraw/zinc/53/76/65/980537665.db2.gz JNFWORPDDMGODA-UHFFFAOYSA-N 0 0 211.196 2.093 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC/C=C/Cl ZINC001187824577 980554495 /nfs/dbraw/zinc/55/44/95/980554495.db2.gz URKJXRXPSCPEEW-DUXPYHPUSA-N 0 0 213.624 2.154 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC/C=C\Cl ZINC001187824580 980554702 /nfs/dbraw/zinc/55/47/02/980554702.db2.gz URKJXRXPSCPEEW-RQOWECAXSA-N 0 0 213.624 2.154 20 5 BEBDRN O=[N+]([O-])c1ncccc1OCc1ccnc(F)c1 ZINC001188129670 980599633 /nfs/dbraw/zinc/59/96/33/980599633.db2.gz SPRZHXRITSMUGX-UHFFFAOYSA-N 0 0 249.201 2.103 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C(C)(CC)CC ZINC001345689215 980670169 /nfs/dbraw/zinc/67/01/69/980670169.db2.gz FHTZXFKMUACOGK-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cccc(F)c1 ZINC001345696183 980674256 /nfs/dbraw/zinc/67/42/56/980674256.db2.gz ZRONILNZTCDYRZ-JTQLQIEISA-N 0 0 241.218 2.038 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)C(C)(C)C ZINC001346196673 980782708 /nfs/dbraw/zinc/78/27/08/980782708.db2.gz HORGYUGBVADJNZ-DTWKUNHWSA-N 0 0 231.292 2.267 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)CC1CCCC1 ZINC001347429676 981075549 /nfs/dbraw/zinc/07/55/49/981075549.db2.gz FZQLJESGRMYYID-JTQLQIEISA-N 0 0 229.276 2.165 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C(F)=C1CCCC1 ZINC001347430912 981078283 /nfs/dbraw/zinc/07/82/83/981078283.db2.gz RQVVQZNGZJLYFG-SECBINFHSA-N 0 0 245.250 2.383 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1occ(C)c1C ZINC001347430801 981078644 /nfs/dbraw/zinc/07/86/44/981078644.db2.gz QJZSOTZNRMKYII-VIFPVBQESA-N 0 0 241.243 2.109 20 5 BEBDRN C[C@]1(F)CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC001347839707 981191514 /nfs/dbraw/zinc/19/15/14/981191514.db2.gz JRKCYQSZMRPIDS-NSHDSACASA-N 0 0 239.250 2.318 20 5 BEBDRN Cc1nc(NC/C=C\C2CC2)ncc1[N+](=O)[O-] ZINC001347840465 981191838 /nfs/dbraw/zinc/19/18/38/981191838.db2.gz WLSUKEOJTHDYQR-IHWYPQMZSA-N 0 0 234.259 2.071 20 5 BEBDRN O=C(Nc1ccsn1)c1ccc([N+](=O)[O-])cc1 ZINC001583225015 981805051 /nfs/dbraw/zinc/80/50/51/981805051.db2.gz PEIOHENVIVEROG-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN CCCCC(=O)OCc1cccnc1[N+](=O)[O-] ZINC001349917852 981814609 /nfs/dbraw/zinc/81/46/09/981814609.db2.gz YZGHRBLNEBUGKQ-UHFFFAOYSA-N 0 0 238.243 2.223 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccns1 ZINC001587128268 982050363 /nfs/dbraw/zinc/05/03/63/982050363.db2.gz KLENKLMJFVZWFN-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN Cc1nocc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001351336551 982290672 /nfs/dbraw/zinc/29/06/72/982290672.db2.gz SBIWBZZCMZTBNI-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN Cc1nocc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199818888 983017809 /nfs/dbraw/zinc/01/78/09/983017809.db2.gz FVHUBSJPETXUHR-UHFFFAOYSA-N 0 0 235.199 2.340 20 5 BEBDRN C/C=C(/C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001353836093 983019991 /nfs/dbraw/zinc/01/99/91/983019991.db2.gz SMJPCDXQTGNRSR-DAXSKMNVSA-N 0 0 249.270 2.390 20 5 BEBDRN O=[N+]([O-])c1cc(O)cc(Nc2cnoc2)c1 ZINC001199814712 983023067 /nfs/dbraw/zinc/02/30/67/983023067.db2.gz NOUQVXCONNZQKE-UHFFFAOYSA-N 0 0 221.172 2.032 20 5 BEBDRN O=[N+]([O-])c1cc(O)cc(Nc2cncc(O)c2)c1 ZINC001199814563 983024581 /nfs/dbraw/zinc/02/45/81/983024581.db2.gz KRXZQCTYAIUPHF-UHFFFAOYSA-N 0 0 247.210 2.145 20 5 BEBDRN O=[N+]([O-])c1ccsc1N[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001354510064 983319141 /nfs/dbraw/zinc/31/91/41/983319141.db2.gz UKRFRTZOJLRJBM-LKEWCRSYSA-N 0 0 240.284 2.388 20 5 BEBDRN Cc1ccc(OC(=O)[C@H]2C[C@H]2F)c([N+](=O)[O-])c1 ZINC001356155696 983583291 /nfs/dbraw/zinc/58/32/91/983583291.db2.gz ATYQDMPEYZIIIO-JGVFFNPUSA-N 0 0 239.202 2.167 20 5 BEBDRN C[C@@H]1C[C@H]1c1nnc(-c2cccnc2[N+](=O)[O-])o1 ZINC001256720072 984599053 /nfs/dbraw/zinc/59/90/53/984599053.db2.gz XHRADANNYKOYAM-HTRCEHHLSA-N 0 0 246.226 2.163 20 5 BEBDRN O=[N+]([O-])c1ncccc1OCc1cncc(F)c1 ZINC001458784147 985349700 /nfs/dbraw/zinc/34/97/00/985349700.db2.gz NZDWIJGDQPNLDV-UHFFFAOYSA-N 0 0 249.201 2.103 20 5 BEBDRN C[C@H]1COC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000688004589 985490143 /nfs/dbraw/zinc/49/01/43/985490143.db2.gz IFTBFYZJTJIEFU-WCBMZHEXSA-N 0 0 222.244 2.042 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2COC3(CCC3)C2)cn1 ZINC000688314008 985604209 /nfs/dbraw/zinc/60/42/09/985604209.db2.gz HVVWRCMXZINFEB-SNVBAGLBSA-N 0 0 249.270 2.113 20 5 BEBDRN C=CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001262555899 986558546 /nfs/dbraw/zinc/55/85/46/986558546.db2.gz NJHUZJRPFOJOIG-UHFFFAOYSA-N 0 0 246.266 2.272 20 5 BEBDRN CC[C@@H](C)CSc1nn(C)cc1[N+](=O)[O-] ZINC001472728377 987276952 /nfs/dbraw/zinc/27/69/52/987276952.db2.gz HLTWOGOMRDGXFU-SSDOTTSWSA-N 0 0 229.305 2.467 20 5 BEBDRN Cc1cc(Nc2cn[nH]c2)c([N+](=O)[O-])s1 ZINC001472854698 987291241 /nfs/dbraw/zinc/29/12/41/987291241.db2.gz HWGRLVRNDWEDCP-UHFFFAOYSA-N 0 0 224.245 2.431 20 5 BEBDRN O=[N+]([O-])c1cccnc1Oc1cncc(F)c1 ZINC001472905884 987302462 /nfs/dbraw/zinc/30/24/62/987302462.db2.gz ONRYWFLNRZVNHL-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@H]1CCC[C@@H](F)C1 ZINC001118124752 988019858 /nfs/dbraw/zinc/01/98/58/988019858.db2.gz JCIHWUNIQQAHBP-BDAKNGLRSA-N 0 0 239.250 2.104 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1CCC[C@H](F)C1 ZINC001118124753 988022612 /nfs/dbraw/zinc/02/26/12/988022612.db2.gz JCIHWUNIQQAHBP-DTWKUNHWSA-N 0 0 239.250 2.104 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]1C ZINC001324297707 988784849 /nfs/dbraw/zinc/78/48/49/988784849.db2.gz OWQNJUCYICHPTR-PSASIEDQSA-N 0 0 235.287 2.321 20 5 BEBDRN CC(C)(CCC(=O)N[C@H]1C=CCCC1)[N+](=O)[O-] ZINC001324414191 988832449 /nfs/dbraw/zinc/83/24/49/988832449.db2.gz UTKDTNAEOFEVLC-JTQLQIEISA-N 0 0 240.303 2.047 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC2(C)CC2)c1C ZINC001119453659 989087485 /nfs/dbraw/zinc/08/74/85/989087485.db2.gz LZLUDENVFRZIHS-UHFFFAOYSA-N 0 0 248.282 2.494 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C1CCC=CCC1 ZINC001517180289 989206806 /nfs/dbraw/zinc/20/68/06/989206806.db2.gz VQGOUXBUSHPCLG-NSHDSACASA-N 0 0 241.287 2.331 20 5 BEBDRN CCc1occc1C(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001517179469 989207512 /nfs/dbraw/zinc/20/75/12/989207512.db2.gz OBUZZSQPIVYBQC-QMMMGPOBSA-N 0 0 241.243 2.054 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C1CCC=CCC1 ZINC001517180288 989208728 /nfs/dbraw/zinc/20/87/28/989208728.db2.gz VQGOUXBUSHPCLG-LLVKDONJSA-N 0 0 241.287 2.331 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccccc1C ZINC001517180230 989209126 /nfs/dbraw/zinc/20/91/26/989209126.db2.gz UURDRDJYGHNOSX-JTQLQIEISA-N 0 0 237.255 2.207 20 5 BEBDRN Cc1ccnnc1Nc1cc([N+](=O)[O-])cnc1C ZINC001249544135 989301638 /nfs/dbraw/zinc/30/16/38/989301638.db2.gz AHKSAKONPDDFMM-UHFFFAOYSA-N 0 0 245.242 2.140 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])c1cscc1Cl ZINC001519316637 989392809 /nfs/dbraw/zinc/39/28/09/989392809.db2.gz RFRKWOKYTPSHKF-UHFFFAOYSA-N 0 0 249.675 2.225 20 5 BEBDRN CC[C@H](C)CCC(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001520099168 989509998 /nfs/dbraw/zinc/50/99/98/989509998.db2.gz GVFJBNGFJDKXJO-UWVGGRQHSA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC1(C)C ZINC001520099583 989510109 /nfs/dbraw/zinc/51/01/09/989510109.db2.gz RUIHVYWPQZGBOF-ZJUUUORDSA-N 0 0 243.303 2.411 20 5 BEBDRN O=C(Nc1ccsn1)c1ccccc1[N+](=O)[O-] ZINC001536566231 990488340 /nfs/dbraw/zinc/48/83/40/990488340.db2.gz KQKHVSSLUDDCDL-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC[C@@H](F)C1 ZINC001123256377 990531304 /nfs/dbraw/zinc/53/13/04/990531304.db2.gz OTZIWRYPJYMGOB-IVZWLZJFSA-N 0 0 247.266 2.113 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[C@H](F)C1 ZINC001123256378 990531579 /nfs/dbraw/zinc/53/15/79/990531579.db2.gz OTZIWRYPJYMGOB-KXUCPTDWSA-N 0 0 247.266 2.113 20 5 BEBDRN CCC[C@@H](C)C(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001123356019 990547414 /nfs/dbraw/zinc/54/74/14/990547414.db2.gz ZBJQMVSSQSRJAH-RKDXNWHRSA-N 0 0 217.265 2.021 20 5 BEBDRN CNC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C ZINC001562868785 990788485 /nfs/dbraw/zinc/78/84/85/990788485.db2.gz VHEMYMCMXGFJMU-UHFFFAOYSA-N 0 0 243.650 2.308 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC[C@H]1CC1(C)C ZINC001258065421 990960129 /nfs/dbraw/zinc/96/01/29/990960129.db2.gz BZCNBCYVXBDAJM-SECBINFHSA-N 0 0 235.287 2.178 20 5 BEBDRN O=[N+]([O-])c1sccc1OCc1cnns1 ZINC001559413781 991098180 /nfs/dbraw/zinc/09/81/80/991098180.db2.gz BGDUGYDFMNQAEF-UHFFFAOYSA-N 0 0 243.269 2.087 20 5 BEBDRN O=[N+]([O-])c1sccc1OC[C@H]1CCOC1 ZINC001559414371 991099040 /nfs/dbraw/zinc/09/90/40/991099040.db2.gz ZCPMERBJXLRXLB-ZETCQYMHSA-N 0 0 229.257 2.072 20 5 BEBDRN CC(C)[C@H](O)CCOc1ccsc1[N+](=O)[O-] ZINC001559414016 991099354 /nfs/dbraw/zinc/09/93/54/991099354.db2.gz KYEBLLZBOUWVBP-MRVPVSSYSA-N 0 0 245.300 2.442 20 5 BEBDRN Cc1cccc(Cn2ccnc2[N+](=O)[O-])c1 ZINC001559453670 991110008 /nfs/dbraw/zinc/11/00/08/991110008.db2.gz QHZQPJFVYIZSNF-UHFFFAOYSA-N 0 0 217.228 2.148 20 5 BEBDRN CC1(C)CN(c2ncc([N+](=O)[O-])cn2)C1(C)C ZINC001320085785 992099416 /nfs/dbraw/zinc/09/94/16/992099416.db2.gz HWINZMMMMYCJAP-UHFFFAOYSA-N 0 0 236.275 2.010 20 5 BEBDRN CCC(=O)CCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320856802 992382215 /nfs/dbraw/zinc/38/22/15/992382215.db2.gz UNHLPLDVWRSOLT-UHFFFAOYSA-N 0 0 248.282 2.280 20 5 BEBDRN C/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC001570670760 992495700 /nfs/dbraw/zinc/49/57/00/992495700.db2.gz WVJXBOUZIFEPIY-ARJAWSKDSA-N 0 0 235.243 2.151 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1sccc1C ZINC001263622823 993430238 /nfs/dbraw/zinc/43/02/38/993430238.db2.gz ADQILXUQMYREMO-QMMMGPOBSA-N 0 0 243.284 2.269 20 5 BEBDRN CC[C@@H](C)[C@H](C)C(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001263623492 993430358 /nfs/dbraw/zinc/43/03/58/993430358.db2.gz RWXZEFDOXRNNNA-KXUCPTDWSA-N 0 0 231.292 2.267 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C1(CC)CCC1 ZINC001263624060 993430500 /nfs/dbraw/zinc/43/05/00/993430500.db2.gz JICSBSXHVIBDQV-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN O=[N+]([O-])c1c2ccncc2ccc1-n1ccnc1 ZINC001306917337 995274972 /nfs/dbraw/zinc/27/49/72/995274972.db2.gz PAQLTFZMSCXOFN-UHFFFAOYSA-N 0 0 240.222 2.329 20 5 BEBDRN O=[N+]([O-])c1cccc(CNc2cnc(F)cn2)c1 ZINC001306969324 995275690 /nfs/dbraw/zinc/27/56/90/995275690.db2.gz PSKACDMCGUCEFW-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(NCC(C)(C)C2CC2)n1 ZINC001612994421 1170468786 /nfs/dbraw/zinc/46/87/86/1170468786.db2.gz XAOBOBYCPKHXBV-UHFFFAOYSA-N 0 0 238.291 2.176 20 5 BEBDRN CC(=O)c1ccc(Cn2ccnc2[N+](=O)[O-])cc1 ZINC001614845139 1170499812 /nfs/dbraw/zinc/49/98/12/1170499812.db2.gz UBZKYDKECFXZLE-UHFFFAOYSA-N 0 0 245.238 2.042 20 5 BEBDRN NC(=O)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001628222773 1171217605 /nfs/dbraw/zinc/21/76/05/1171217605.db2.gz VJAGKVAPDMDIFE-UHFFFAOYSA-N 0 0 231.211 2.239 20 5 BEBDRN CO[C@H](C)CNc1cccc(F)c1[N+](=O)[O-] ZINC000224348122 398136930 /nfs/dbraw/zinc/13/69/30/398136930.db2.gz DJVZRNGAUHFFOW-SSDOTTSWSA-N 0 0 228.223 2.181 20 5 BEBDRN C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000335179283 343977746 /nfs/dbraw/zinc/97/77/46/343977746.db2.gz XYBIBUIXLQMFJQ-ONGXEEELSA-N 0 0 238.218 2.281 20 5 BEBDRN C[C@@H](O)CCn1ccc2c1cccc2[N+](=O)[O-] ZINC000129725415 136211743 /nfs/dbraw/zinc/21/17/43/136211743.db2.gz KCMYQIAJYKWMDN-SECBINFHSA-N 0 0 234.255 2.320 20 5 BEBDRN CO[C@H](C)CNc1c(C)cccc1[N+](=O)[O-] ZINC000224355440 398146267 /nfs/dbraw/zinc/14/62/67/398146267.db2.gz TTXOFCHKUCHORP-SECBINFHSA-N 0 0 224.260 2.350 20 5 BEBDRN Cc1cc(CNc2ncc([N+](=O)[O-])cc2C)on1 ZINC000052812830 178044510 /nfs/dbraw/zinc/04/45/10/178044510.db2.gz IYDHQVCCVQHDGY-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1CCC2(CCC2)C1 ZINC000610716598 398205162 /nfs/dbraw/zinc/20/51/62/398205162.db2.gz FNBWZHXIHUCDAD-UHFFFAOYSA-N 0 0 233.271 2.370 20 5 BEBDRN Cc1cc(NCC(C)C)ncc1[N+](=O)[O-] ZINC000073000162 178155945 /nfs/dbraw/zinc/15/59/45/178155945.db2.gz IHAGYYVYOSNQQU-UHFFFAOYSA-N 0 0 209.249 2.366 20 5 BEBDRN Cc1cc(NCCCCCO)ccc1[N+](=O)[O-] ZINC000059538793 178158714 /nfs/dbraw/zinc/15/87/14/178158714.db2.gz YXUVZOVESSFURN-UHFFFAOYSA-N 0 0 238.287 2.478 20 5 BEBDRN Cc1cc(NCC[C@@H](C)O)c(F)cc1[N+](=O)[O-] ZINC000292534777 178161513 /nfs/dbraw/zinc/16/15/13/178161513.db2.gz HXLFOMJTKFYPHH-MRVPVSSYSA-N 0 0 242.250 2.225 20 5 BEBDRN Cc1cc(NCCn2cccn2)ccc1[N+](=O)[O-] ZINC000042351525 178163513 /nfs/dbraw/zinc/16/35/13/178163513.db2.gz IHHVLSLPZIRMNL-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN Cc1cc(NC[C@@H](C)O)c(Cl)cc1[N+](=O)[O-] ZINC000080530939 178164274 /nfs/dbraw/zinc/16/42/74/178164274.db2.gz ORRUTOCSZNFBTC-SSDOTTSWSA-N 0 0 244.678 2.349 20 5 BEBDRN Cc1cc(NCc2cccnc2)ncc1[N+](=O)[O-] ZINC000073000246 178174670 /nfs/dbraw/zinc/17/46/70/178174670.db2.gz XYPONKWOWAKRNT-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cc(N[C@H](C)CCO)c(F)cc1[N+](=O)[O-] ZINC000292760198 178185926 /nfs/dbraw/zinc/18/59/26/178185926.db2.gz WCCFOFKLBACKQB-MRVPVSSYSA-N 0 0 242.250 2.225 20 5 BEBDRN Cc1cc(N[C@H]2CCSC2)ncc1[N+](=O)[O-] ZINC000074767766 178189767 /nfs/dbraw/zinc/18/97/67/178189767.db2.gz PXPYMXUQMDBRFA-QMMMGPOBSA-N 0 0 239.300 2.216 20 5 BEBDRN Cc1cc(OCC(=O)C2CC2)ccc1[N+](=O)[O-] ZINC000068044354 178208404 /nfs/dbraw/zinc/20/84/04/178208404.db2.gz JBPPTJVWBDWWGK-UHFFFAOYSA-N 0 0 235.239 2.261 20 5 BEBDRN Cc1cc(S[C@@H](C)[C@@H](C)O)ncc1[N+](=O)[O-] ZINC000220212400 178220072 /nfs/dbraw/zinc/22/00/72/178220072.db2.gz HQRHWKZFYSRCAR-SFYZADRCSA-N 0 0 242.300 2.160 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C)[C@@H]1C ZINC000293953700 178271501 /nfs/dbraw/zinc/27/15/01/178271501.db2.gz FUWDKVDWVVHCCP-ZJUUUORDSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCC(=O)C(F)F ZINC000282603548 178273267 /nfs/dbraw/zinc/27/32/67/178273267.db2.gz QOGBPXBYDFEVAB-UHFFFAOYSA-N 0 0 245.181 2.116 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCO[C@H]1C ZINC000147568500 178273288 /nfs/dbraw/zinc/27/32/88/178273288.db2.gz RWYAFJQIVQBNIC-JOYOIKCWSA-N 0 0 236.271 2.493 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1N1CC[C@@H](C)C1 ZINC000576620960 365640922 /nfs/dbraw/zinc/64/09/22/365640922.db2.gz LHEXBKRXVQWUSQ-SECBINFHSA-N 0 0 236.271 2.450 20 5 BEBDRN O=[N+]([O-])c1ncccc1OCc1ccc(F)cn1 ZINC000344645780 136232016 /nfs/dbraw/zinc/23/20/16/136232016.db2.gz PNEBEIJQERBJPH-UHFFFAOYSA-N 0 0 249.201 2.103 20 5 BEBDRN Cc1ccc(C(=O)N(C)C(C)C)cc1[N+](=O)[O-] ZINC000078729759 178375514 /nfs/dbraw/zinc/37/55/14/178375514.db2.gz QJXJQIULHUXJCF-UHFFFAOYSA-N 0 0 236.271 2.384 20 5 BEBDRN Cc1ccc(C(=O)N2C[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000293970896 178398647 /nfs/dbraw/zinc/39/86/47/178398647.db2.gz GPCRGTPBMIWGRV-NXEZZACHSA-N 0 0 248.282 2.384 20 5 BEBDRN C[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000139416999 361923318 /nfs/dbraw/zinc/92/33/18/361923318.db2.gz BUPHRXGMNFIJOY-VIFPVBQESA-N 0 0 206.245 2.441 20 5 BEBDRN C[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000139416878 361923749 /nfs/dbraw/zinc/92/37/49/361923749.db2.gz BUPHRXGMNFIJOY-SECBINFHSA-N 0 0 206.245 2.441 20 5 BEBDRN CCC(CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000036749215 168394443 /nfs/dbraw/zinc/39/44/43/168394443.db2.gz HBKVBTAOVPBFLQ-UHFFFAOYSA-N 0 0 226.280 2.237 20 5 BEBDRN CCC(CC)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000295467365 168395552 /nfs/dbraw/zinc/39/55/52/168395552.db2.gz OTMRIBOGWNKWRH-UHFFFAOYSA-N 0 0 224.264 2.294 20 5 BEBDRN CC[C@](C)(O)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000094659751 398296184 /nfs/dbraw/zinc/29/61/84/398296184.db2.gz LRMXANWFKCUFIP-LBPRGKRZSA-N 0 0 238.287 2.476 20 5 BEBDRN C[C@H](Cn1cccn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000042253606 361977248 /nfs/dbraw/zinc/97/72/48/361977248.db2.gz IDEUMCXGADTRGS-SNVBAGLBSA-N 0 0 246.270 2.292 20 5 BEBDRN CC[C@@H](CCO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000077232686 398307506 /nfs/dbraw/zinc/30/75/06/398307506.db2.gz CKLDRIDEOBAPNQ-VIFPVBQESA-N 0 0 242.250 2.307 20 5 BEBDRN C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000077228100 398307604 /nfs/dbraw/zinc/30/76/04/398307604.db2.gz LFBDPJRKVWMIDV-RKDXNWHRSA-N 0 0 224.260 2.024 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1C2CCC1CC2 ZINC000608972345 342856246 /nfs/dbraw/zinc/85/62/46/342856246.db2.gz AQNATEUZVFIGPI-UHFFFAOYSA-N 0 0 219.244 2.121 20 5 BEBDRN O=[N+]([O-])c1ccsc1N[C@@H]1C=C[C@H](CO)C1 ZINC000301979164 398311998 /nfs/dbraw/zinc/31/19/98/398311998.db2.gz ADWMNUKLNAKWEU-JGVFFNPUSA-N 0 0 240.284 2.005 20 5 BEBDRN CC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000604560335 398321930 /nfs/dbraw/zinc/32/19/30/398321930.db2.gz XBGNZUIGNUHCIO-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[C@H](C)O ZINC000228133788 398322875 /nfs/dbraw/zinc/32/28/75/398322875.db2.gz VZQLTUYYIGXSSH-UWVGGRQHSA-N 0 0 238.287 2.475 20 5 BEBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1=CCC1 ZINC000355415224 398325968 /nfs/dbraw/zinc/32/59/68/398325968.db2.gz HUYKCRUEWQSWJP-UHFFFAOYSA-N 0 0 246.266 2.273 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCC(C)(F)F ZINC000450816022 398328701 /nfs/dbraw/zinc/32/87/01/398328701.db2.gz AFKICCCVESDNFR-UHFFFAOYSA-N 0 0 219.191 2.145 20 5 BEBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC1CC1 ZINC000027458905 398337001 /nfs/dbraw/zinc/33/70/01/398337001.db2.gz NUWSYKFTXNVZGX-VMPITWQZSA-N 0 0 246.266 2.134 20 5 BEBDRN CC(C)C[C@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000042288103 398331017 /nfs/dbraw/zinc/33/10/17/398331017.db2.gz RBNKGUQRVGHWCE-SNVBAGLBSA-N 0 0 238.287 2.414 20 5 BEBDRN CC[C@](C)(O)CNc1c(F)cccc1[N+](=O)[O-] ZINC000287715621 398331420 /nfs/dbraw/zinc/33/14/20/398331420.db2.gz FPIAYVXHWCVGLI-NSHDSACASA-N 0 0 242.250 2.307 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCCc2ccc[nH]2)n1 ZINC000351877620 136261726 /nfs/dbraw/zinc/26/17/26/136261726.db2.gz NVTDYSTWXFPSTC-UHFFFAOYSA-N 0 0 246.270 2.281 20 5 BEBDRN C[C@H](O)CCCSc1ccc([N+](=O)[O-])cn1 ZINC000355929875 136266038 /nfs/dbraw/zinc/26/60/38/136266038.db2.gz AJHOSXINVIUDOK-QMMMGPOBSA-N 0 0 242.300 2.243 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N1[C@H](C)C[C@@H]1C ZINC000576901224 365718553 /nfs/dbraw/zinc/71/85/53/365718553.db2.gz QTIYDUGCXUZHGN-OCAPTIKFSA-N 0 0 238.291 2.107 20 5 BEBDRN CCOC(=O)c1c(OCC)cccc1[N+](=O)[O-] ZINC000161136699 136273801 /nfs/dbraw/zinc/27/38/01/136273801.db2.gz PMJGNFFTWZNQTO-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN CCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000100861932 343317932 /nfs/dbraw/zinc/31/79/32/343317932.db2.gz GBXWDVBWJHGOOO-UHFFFAOYSA-N 0 0 233.227 2.098 20 5 BEBDRN CC(C)CCN(C)c1ccc([N+](=O)[O-])cn1 ZINC000076872374 343367297 /nfs/dbraw/zinc/36/72/97/343367297.db2.gz IUGCIYWQHXLOEP-UHFFFAOYSA-N 0 0 223.276 2.472 20 5 BEBDRN Cc1cc(Oc2ncccn2)ccc1[N+](=O)[O-] ZINC000068125694 343440090 /nfs/dbraw/zinc/44/00/90/343440090.db2.gz QQFNSTHNLMRRRC-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN O=[N+]([O-])c1sccc1NC1CCOCC1 ZINC000308908545 346940011 /nfs/dbraw/zinc/94/00/11/346940011.db2.gz FJUKKYJKRMGBBN-UHFFFAOYSA-N 0 0 228.273 2.247 20 5 BEBDRN O=[N+]([O-])c1cnccc1NCC1=CCCCC1 ZINC000379754033 343616981 /nfs/dbraw/zinc/61/69/81/343616981.db2.gz QRXITYZMTQQGDA-UHFFFAOYSA-N 0 0 233.271 2.324 20 5 BEBDRN CC1(C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000610116653 343624163 /nfs/dbraw/zinc/62/41/63/343624163.db2.gz LBTJIJXGRKWGTK-UHFFFAOYSA-N 0 0 248.282 2.148 20 5 BEBDRN C[C@H](O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000083676202 343653874 /nfs/dbraw/zinc/65/38/74/343653874.db2.gz MCKVEPIIGQKMRX-LURJTMIESA-N 0 0 231.635 2.008 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1Cc1csc([N+](=O)[O-])c1 ZINC000334238732 343840737 /nfs/dbraw/zinc/84/07/37/343840737.db2.gz KBUHSYAZJJFKRQ-JGVFFNPUSA-N 0 0 226.301 2.497 20 5 BEBDRN Cc1c(C(=O)N[C@@H]2CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000334237732 343842688 /nfs/dbraw/zinc/84/26/88/343842688.db2.gz SEZVFXQFYLVSCG-GZMMTYOYSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1c(C(=O)N[C@H]2CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000334237737 343842741 /nfs/dbraw/zinc/84/27/41/343842741.db2.gz SEZVFXQFYLVSCG-KWQFWETISA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])c1ccnn1C[C@H]1CCCC1(F)F ZINC000334624771 343896795 /nfs/dbraw/zinc/89/67/95/343896795.db2.gz OQASHWODEKNTPX-SSDOTTSWSA-N 0 0 231.202 2.227 20 5 BEBDRN Cc1cnc(N2C3CCC2CC3)c([N+](=O)[O-])c1 ZINC000610283899 343940588 /nfs/dbraw/zinc/94/05/88/343940588.db2.gz VUMXEGQNHUHNBH-UHFFFAOYSA-N 0 0 233.271 2.429 20 5 BEBDRN C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000078254451 343934443 /nfs/dbraw/zinc/93/44/43/343934443.db2.gz IPCQWVJETAPFSM-SECBINFHSA-N 0 0 221.260 2.369 20 5 BEBDRN C[C@@H]1CN(c2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000610587482 343971280 /nfs/dbraw/zinc/97/12/80/343971280.db2.gz YSGKRJFRRNFVHH-RKDXNWHRSA-N 0 0 221.260 2.082 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1C[C@H]2CCC[C@@H]2C1 ZINC000610685426 343975176 /nfs/dbraw/zinc/97/51/76/343975176.db2.gz MSMUYXINDNYUNI-NXEZZACHSA-N 0 0 233.271 2.226 20 5 BEBDRN C[C@@]1(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC=CCC1 ZINC000335144319 343956376 /nfs/dbraw/zinc/95/63/76/343956376.db2.gz NWHMJBPJTQWAKT-GFCCVEGCSA-N 0 0 249.270 2.152 20 5 BEBDRN O=[N+]([O-])c1sccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000610410953 343957520 /nfs/dbraw/zinc/95/75/20/343957520.db2.gz JMMMWXRBKVQCOX-OCAPTIKFSA-N 0 0 240.284 2.024 20 5 BEBDRN CC[C@@H](O)CCNc1ccc([N+](=O)[O-])cc1F ZINC000127229238 344054722 /nfs/dbraw/zinc/05/47/22/344054722.db2.gz HOBBHKNCQXZRNX-SECBINFHSA-N 0 0 242.250 2.307 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC=CC1 ZINC000610742158 344144865 /nfs/dbraw/zinc/14/48/65/344144865.db2.gz REQARDBQFVHFPB-UHFFFAOYSA-N 0 0 246.266 2.352 20 5 BEBDRN Cc1occc1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000610755391 344146810 /nfs/dbraw/zinc/14/68/10/344146810.db2.gz LMZVVXAXTHVBRS-UHFFFAOYSA-N 0 0 247.254 2.234 20 5 BEBDRN Cc1cn(Cc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000611164960 344268932 /nfs/dbraw/zinc/26/89/32/344268932.db2.gz BSGPVHPBGYVKEW-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1CC[C@H](C2CC2)C1 ZINC000611204659 344272959 /nfs/dbraw/zinc/27/29/59/344272959.db2.gz NWWDBZNABYHOTM-JTQLQIEISA-N 0 0 233.271 2.226 20 5 BEBDRN C[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[C@@H]1C ZINC000611228000 344370896 /nfs/dbraw/zinc/37/08/96/344370896.db2.gz XCTQZDOYGZQPKI-UWVGGRQHSA-N 0 0 235.287 2.472 20 5 BEBDRN C[C@@H](CCO)Sc1ccccc1[N+](=O)[O-] ZINC000085143451 344503712 /nfs/dbraw/zinc/50/37/12/344503712.db2.gz QOWVQIOWRWBMAJ-QMMMGPOBSA-N 0 0 227.285 2.458 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CC(C(C)C)C1 ZINC000611298408 344458155 /nfs/dbraw/zinc/45/81/55/344458155.db2.gz FXKHLRZCVYEFPT-UHFFFAOYSA-N 0 0 235.287 2.390 20 5 BEBDRN COc1cc(Cn2nccc2[N+](=O)[O-])ccc1C ZINC000603314986 344480822 /nfs/dbraw/zinc/48/08/22/344480822.db2.gz YKWMCZOTTIBEEV-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN Cc1c([N-]c2sccc2[N+](=O)[O-])cnn1C ZINC000611413375 344535961 /nfs/dbraw/zinc/53/59/61/344535961.db2.gz MNORYDHGRBLQEQ-UHFFFAOYSA-N 0 0 238.272 2.442 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC[C@H](C)CO ZINC000158227066 344567989 /nfs/dbraw/zinc/56/79/89/344567989.db2.gz XFBHAZJIZJOZQU-QMMMGPOBSA-N 0 0 238.287 2.252 20 5 BEBDRN COC[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000611412773 344653892 /nfs/dbraw/zinc/65/38/92/344653892.db2.gz HVNDCFVCFWNJRG-QMMMGPOBSA-N 0 0 242.300 2.129 20 5 BEBDRN C[C@H]1CN(c2sccc2[N+](=O)[O-])CCCO1 ZINC000611412013 344654341 /nfs/dbraw/zinc/65/43/41/344654341.db2.gz CZEWAFILPCQGNG-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCCc1cccnc1 ZINC000023887778 344676706 /nfs/dbraw/zinc/67/67/06/344676706.db2.gz DUAXFPJWPDIIFE-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN Cc1nn(CCCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000611534389 344751895 /nfs/dbraw/zinc/75/18/95/344751895.db2.gz GCVQZFMULWNAAF-UHFFFAOYSA-N 0 0 241.291 2.305 20 5 BEBDRN Cc1ccnc(N2CCC(F)(F)C2)c1[N+](=O)[O-] ZINC000611445289 344743035 /nfs/dbraw/zinc/74/30/35/344743035.db2.gz RKQYACAZPODRHF-UHFFFAOYSA-N 0 0 243.213 2.144 20 5 BEBDRN C[C@H]1CCN(c2ccncc2[N+](=O)[O-])C[C@@H]1F ZINC000611494496 344745998 /nfs/dbraw/zinc/74/59/98/344745998.db2.gz RXMLLQILVFTHFO-IUCAKERBSA-N 0 0 239.250 2.174 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1CC=CCC1 ZINC000611509954 344746923 /nfs/dbraw/zinc/74/69/23/344746923.db2.gz PVOSOQWHUQCIJJ-UHFFFAOYSA-N 0 0 210.258 2.423 20 5 BEBDRN Cc1c(C(=O)N2CC=CCC2)cccc1[N+](=O)[O-] ZINC000611513075 344748978 /nfs/dbraw/zinc/74/89/78/344748978.db2.gz BIMWDNRPIJCCBK-UHFFFAOYSA-N 0 0 246.266 2.305 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1cnn(C)c1 ZINC000053734420 1172048430 /nfs/dbraw/zinc/04/84/30/1172048430.db2.gz LOWKTJPBUBIAJN-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Nc1nc(SC2CCCC2)ncc1[N+](=O)[O-] ZINC000076267006 344803127 /nfs/dbraw/zinc/80/31/27/344803127.db2.gz FBQMFYCIFZVEGJ-UHFFFAOYSA-N 0 0 240.288 2.002 20 5 BEBDRN CCCCOCCn1nc(C)c([N+](=O)[O-])c1C ZINC000077410358 344824333 /nfs/dbraw/zinc/82/43/33/344824333.db2.gz GSJMGDMHUKTZMG-UHFFFAOYSA-N 0 0 241.291 2.225 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H](F)C2)c(F)c1 ZINC000408467024 344825879 /nfs/dbraw/zinc/82/58/79/344825879.db2.gz KCRKRJAYKJDGTF-SSDOTTSWSA-N 0 0 243.213 2.067 20 5 BEBDRN CCCn1cc(Nc2ccc([N+](=O)[O-])cn2)cn1 ZINC000078472699 344872715 /nfs/dbraw/zinc/87/27/15/344872715.db2.gz KXXRECUIZMNAQL-UHFFFAOYSA-N 0 0 247.258 2.340 20 5 BEBDRN CC(C)[C@@H](C)Sc1ncc([N+](=O)[O-])c(N)n1 ZINC000078589002 344887424 /nfs/dbraw/zinc/88/74/24/344887424.db2.gz GICYYHLGZCMBMP-ZCFIWIBFSA-N 0 0 242.304 2.104 20 5 BEBDRN CC[C@]1(C)CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000612788760 344923639 /nfs/dbraw/zinc/92/36/39/344923639.db2.gz JJOUDCKTZRELEQ-LLVKDONJSA-N 0 0 236.275 2.011 20 5 BEBDRN CC[C@H]1C[C@@H](C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000612785718 344923986 /nfs/dbraw/zinc/92/39/86/344923986.db2.gz IKEYXPYFCUADCW-BDAKNGLRSA-N 0 0 236.275 2.010 20 5 BEBDRN CCN(CC)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033829131 344954896 /nfs/dbraw/zinc/95/48/96/344954896.db2.gz NCRORLLVRPGZOZ-YFHOEESVSA-N 0 0 248.282 2.476 20 5 BEBDRN Cc1ccc(OCC(=O)C(F)F)c([N+](=O)[O-])c1 ZINC000282380899 178809562 /nfs/dbraw/zinc/80/95/62/178809562.db2.gz BSXBPEMOVDRHIN-UHFFFAOYSA-N 0 0 245.181 2.116 20 5 BEBDRN Cc1cc(C(=O)NC2CC(C)C2)ccc1[N+](=O)[O-] ZINC000080049364 345086609 /nfs/dbraw/zinc/08/66/09/345086609.db2.gz SAHOPQPKWJSNGX-UHFFFAOYSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1cnc(N[C@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000425274413 192087437 /nfs/dbraw/zinc/08/74/37/192087437.db2.gz RADJNFAEWWCARS-VIFPVBQESA-N 0 0 219.244 2.263 20 5 BEBDRN Cc1ccnc(NCC(C)(F)F)c1[N+](=O)[O-] ZINC000378685264 345455251 /nfs/dbraw/zinc/45/52/51/345455251.db2.gz BXPSKDIOYABXSQ-UHFFFAOYSA-N 0 0 231.202 2.365 20 5 BEBDRN COCC[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000088508171 345541745 /nfs/dbraw/zinc/54/17/45/345541745.db2.gz JBTFYDSEBOCIPM-VIFPVBQESA-N 0 0 225.244 2.399 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(Oc2cccc[n+]2[O-])c1 ZINC000088698759 345543695 /nfs/dbraw/zinc/54/36/95/345543695.db2.gz DDOJDZPXLKSINX-UHFFFAOYSA-N 0 0 246.222 2.329 20 5 BEBDRN Cc1ocnc1CNc1ncc(C)cc1[N+](=O)[O-] ZINC000092692203 345636371 /nfs/dbraw/zinc/63/63/71/345636371.db2.gz PAXQVRGGAJOIND-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1c(NCC[C@H](C)O)cccc1[N+](=O)[O-] ZINC000082997557 345798836 /nfs/dbraw/zinc/79/88/36/345798836.db2.gz MNYPGOLHHJUCPV-QMMMGPOBSA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(O[C@H](C)[C@@H](C)O)c1 ZINC000087138980 178930249 /nfs/dbraw/zinc/93/02/49/178930249.db2.gz PPRVELFVTCQGNO-RKDXNWHRSA-N 0 0 225.244 2.051 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1CCCC2(CC2)C1 ZINC000613705196 345855827 /nfs/dbraw/zinc/85/58/27/345855827.db2.gz NGRWLZPOBHUIFB-UHFFFAOYSA-N 0 0 233.271 2.370 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCc1ccnn1C ZINC000091582285 178933670 /nfs/dbraw/zinc/93/36/70/178933670.db2.gz ONOZGIBXAQEATA-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(S[C@H](C)[C@@H](C)O)n1 ZINC000178242674 178930532 /nfs/dbraw/zinc/93/05/32/178930532.db2.gz BXLINAKVHOIIFX-HTQZYQBOSA-N 0 0 242.300 2.160 20 5 BEBDRN C[C@@H](CNc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000136190947 345956899 /nfs/dbraw/zinc/95/68/99/345956899.db2.gz HAZRLUDSBNHZPG-QMMMGPOBSA-N 0 0 221.260 2.448 20 5 BEBDRN Cc1cc(C(=O)NC[C@H]2C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000150322640 346170628 /nfs/dbraw/zinc/17/06/28/346170628.db2.gz SEQZRJJPMMTJFQ-GXSJLCMTSA-N 0 0 248.282 2.289 20 5 BEBDRN C[C@H]1C[C@H]1CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401097077 346175620 /nfs/dbraw/zinc/17/56/20/346175620.db2.gz LPMAXBBULRHEKQ-BQBZGAKWSA-N 0 0 225.223 2.197 20 5 BEBDRN Cc1cccc(C(=O)N2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299679674 179010993 /nfs/dbraw/zinc/01/09/93/179010993.db2.gz SLQDFZSCIKNBGD-SECBINFHSA-N 0 0 248.282 2.385 20 5 BEBDRN C[C@H](O)C[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000167407010 346245029 /nfs/dbraw/zinc/24/50/29/346245029.db2.gz LLEURDHEHSZQKC-YUMQZZPRSA-N 0 0 242.250 2.305 20 5 BEBDRN CC(C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005632876 346290637 /nfs/dbraw/zinc/29/06/37/346290637.db2.gz ICUFWAUTNLWTMA-UHFFFAOYSA-N 0 0 237.259 2.372 20 5 BEBDRN CCCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046136785 168552905 /nfs/dbraw/zinc/55/29/05/168552905.db2.gz QUYHDADRYBVSEG-UHFFFAOYSA-N 0 0 222.244 2.011 20 5 BEBDRN C[C@@H]1CN(c2ccsc2[N+](=O)[O-])CCC1=O ZINC000601147120 346397103 /nfs/dbraw/zinc/39/71/03/346397103.db2.gz VPDIJYBUVZFZGB-SSDOTTSWSA-N 0 0 240.284 2.072 20 5 BEBDRN Cc1cccc(N(C)CC[C@H](C)O)c1[N+](=O)[O-] ZINC000218861087 179116502 /nfs/dbraw/zinc/11/65/02/179116502.db2.gz PYUOIBXJOCMKEA-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN CN(c1ccsc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000588065470 346630297 /nfs/dbraw/zinc/63/02/97/346630297.db2.gz JMKCGZITPFNGCJ-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]2C[C@@H]21 ZINC000588066682 346631813 /nfs/dbraw/zinc/63/18/13/346631813.db2.gz VOOULJMJGANBDW-KOLCDFICSA-N 0 0 233.271 2.287 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CC(C2CC2)C1 ZINC000589695466 346727752 /nfs/dbraw/zinc/72/77/52/346727752.db2.gz LCYKICARUZUAKZ-UHFFFAOYSA-N 0 0 233.271 2.144 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H](C(F)F)C2)cn1 ZINC000589600358 346718882 /nfs/dbraw/zinc/71/88/82/346718882.db2.gz XMSLCCBPIXPGBA-ZETCQYMHSA-N 0 0 243.213 2.081 20 5 BEBDRN Cc1cccc(NCCC[C@H](C)O)c1[N+](=O)[O-] ZINC000227998671 179143605 /nfs/dbraw/zinc/14/36/05/179143605.db2.gz GYBICURONLYNGY-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cccc(N[C@@H]2CCO[C@H]2C)c1[N+](=O)[O-] ZINC000218872603 179155348 /nfs/dbraw/zinc/15/53/48/179155348.db2.gz WMJOUMWPSCBRKY-VHSXEESVSA-N 0 0 236.271 2.493 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1CCC[C@@H](O)CC1 ZINC000590151571 346783648 /nfs/dbraw/zinc/78/36/48/346783648.db2.gz JHXPHUSNSUMDSF-MRVPVSSYSA-N 0 0 242.300 2.008 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@H](C)CO ZINC000156654792 179205859 /nfs/dbraw/zinc/20/58/59/179205859.db2.gz PXMFPZKENMYETM-NXEZZACHSA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@@H]1C ZINC000332101449 179205914 /nfs/dbraw/zinc/20/59/14/179205914.db2.gz BKTFXRSINZUQBZ-UWVGGRQHSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NC1CCOCC1 ZINC000150335408 179205924 /nfs/dbraw/zinc/20/59/24/179205924.db2.gz XZUMBUQLVNOPEB-UHFFFAOYSA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCC1 ZINC000277969218 179207030 /nfs/dbraw/zinc/20/70/30/179207030.db2.gz LFNPTJRVYAORRQ-UHFFFAOYSA-N 0 0 234.255 2.186 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCCC[C@@H](C)O ZINC000227995417 179207031 /nfs/dbraw/zinc/20/70/31/179207031.db2.gz LUKRGJIVLPRXHN-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H]1C=C[C@H](CO)C1 ZINC000277258679 179207064 /nfs/dbraw/zinc/20/70/64/179207064.db2.gz QSTUSNZFHNOIMI-WDEREUQCSA-N 0 0 248.282 2.252 20 5 BEBDRN CSCCNc1ccsc1[N+](=O)[O-] ZINC000308312417 347350543 /nfs/dbraw/zinc/35/05/43/347350543.db2.gz SPRBMCPTPJFIIY-UHFFFAOYSA-N 0 0 218.303 2.431 20 5 BEBDRN CC[C@H](Nc1ccc([N+](=O)[O-])s1)[C@H](C)O ZINC000590721707 347493486 /nfs/dbraw/zinc/49/34/86/347493486.db2.gz MOHDMNWCVWNMEH-BQBZGAKWSA-N 0 0 230.289 2.228 20 5 BEBDRN CCOCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000590724531 347494938 /nfs/dbraw/zinc/49/49/38/347494938.db2.gz OWCSDELRKDDJMP-UHFFFAOYSA-N 0 0 247.254 2.452 20 5 BEBDRN Cc1nn([C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000590739168 347502046 /nfs/dbraw/zinc/50/20/46/347502046.db2.gz PURFPQXETMWTAW-VIFPVBQESA-N 0 0 232.243 2.104 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(S[C@H]2CCOC2)n1 ZINC000617000715 347575131 /nfs/dbraw/zinc/57/51/31/347575131.db2.gz XYWASZNHGWVONA-QMMMGPOBSA-N 0 0 240.284 2.179 20 5 BEBDRN CC[C@@H](C)N(C)c1ncc([N+](=O)[O-])cc1F ZINC000591149591 347621562 /nfs/dbraw/zinc/62/15/62/347621562.db2.gz LJLBLLBLWKWRCR-SSDOTTSWSA-N 0 0 227.239 2.364 20 5 BEBDRN C[C@H]1[C@@H](C)N(c2cccnc2[N+](=O)[O-])C[C@H]1C ZINC000591368970 347654802 /nfs/dbraw/zinc/65/48/02/347654802.db2.gz CEOXZUBQTWYRRI-OPRDCNLKSA-N 0 0 235.287 2.471 20 5 BEBDRN CC1(C)C[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000352300708 534918560 /nfs/dbraw/zinc/91/85/60/534918560.db2.gz FKCZJRHJMKGHQQ-VIFPVBQESA-N 0 0 248.282 2.371 20 5 BEBDRN C[C@H](CNc1ccc([N+](=O)[O-])cn1)CC(F)F ZINC000591963028 347718870 /nfs/dbraw/zinc/71/88/70/347718870.db2.gz BOBBBSLJGCWAMX-ZETCQYMHSA-N 0 0 245.229 2.115 20 5 BEBDRN Cc1cc(=O)n(CC2=CCCC2)cc1[N+](=O)[O-] ZINC000592347759 347769822 /nfs/dbraw/zinc/76/98/22/347769822.db2.gz XQLJFSGOKGCDEL-UHFFFAOYSA-N 0 0 234.255 2.175 20 5 BEBDRN Cc1ccccc1CNc1c([N+](=O)[O-])ncn1C ZINC000008337451 179284926 /nfs/dbraw/zinc/28/49/26/179284926.db2.gz ZCAXUCJIKHMLNO-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)[C@@H](C)CCO)c1 ZINC000593517131 347903241 /nfs/dbraw/zinc/90/32/41/347903241.db2.gz VMKTYZWDAUCAOM-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN CC[C@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000216108000 349977977 /nfs/dbraw/zinc/97/79/77/349977977.db2.gz QPEWYQJIIXQVLR-QMMMGPOBSA-N 0 0 243.284 2.167 20 5 BEBDRN O=[N+]([O-])c1ccnn1CCCC1CCC1 ZINC000594885530 348120366 /nfs/dbraw/zinc/12/03/66/348120366.db2.gz HCXWTLONVASHNY-UHFFFAOYSA-N 0 0 209.249 2.372 20 5 BEBDRN O=c1ccn(C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000594890600 348124453 /nfs/dbraw/zinc/12/44/53/348124453.db2.gz RUVRRVXVFSMQDF-MXWKQRLJSA-N 0 0 248.282 2.193 20 5 BEBDRN Cc1cc(=O)n(CCC2CCC2)cc1[N+](=O)[O-] ZINC000594891018 348125231 /nfs/dbraw/zinc/12/52/31/348125231.db2.gz HDPYJGBRGLNFSP-UHFFFAOYSA-N 0 0 236.271 2.255 20 5 BEBDRN CC(=O)[C@H](C)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000594899369 348132529 /nfs/dbraw/zinc/13/25/29/348132529.db2.gz FGYJKYGVCCZGLE-SSDOTTSWSA-N 0 0 239.275 2.023 20 5 BEBDRN Cc1nn(CCC2CCC2)cc1[N+](=O)[O-] ZINC000594897612 348130266 /nfs/dbraw/zinc/13/02/66/348130266.db2.gz QJPNXJPORHPWQH-UHFFFAOYSA-N 0 0 209.249 2.290 20 5 BEBDRN CC(C)=CCCn1cc([N+](=O)[O-])c(C)n1 ZINC000594897359 348130664 /nfs/dbraw/zinc/13/06/64/348130664.db2.gz LYVINIADWWZMKH-UHFFFAOYSA-N 0 0 209.249 2.456 20 5 BEBDRN Cc1noc(CN(C(C)C)C2CC2)c1[N+](=O)[O-] ZINC000595289995 348213536 /nfs/dbraw/zinc/21/35/36/348213536.db2.gz INCLMNJRXQGUGM-UHFFFAOYSA-N 0 0 239.275 2.264 20 5 BEBDRN CCCCN(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595287091 348212288 /nfs/dbraw/zinc/21/22/88/348212288.db2.gz ATIIRJCHMBHVRO-UHFFFAOYSA-N 0 0 227.264 2.123 20 5 BEBDRN Cc1cccnc1CNc1ccncc1[N+](=O)[O-] ZINC000071344465 179385321 /nfs/dbraw/zinc/38/53/21/179385321.db2.gz WMWCTLYAEHARLA-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN O=[N+]([O-])c1cc(CN2CC[C@H]3C[C@H]3C2)cs1 ZINC000595808660 348349397 /nfs/dbraw/zinc/34/93/97/348349397.db2.gz OSCFUKJAPNAVSF-UWVGGRQHSA-N 0 0 238.312 2.498 20 5 BEBDRN Cc1ccnc(N2CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000172811631 179429656 /nfs/dbraw/zinc/42/96/56/179429656.db2.gz ZVSOAFKQVNHZMU-VIFPVBQESA-N 0 0 221.260 2.287 20 5 BEBDRN CC[C@H](Nc1ccc(N)c([N+](=O)[O-])n1)C1CC1 ZINC000323728276 348421439 /nfs/dbraw/zinc/42/14/39/348421439.db2.gz NYYIZUXKSQVLRO-VIFPVBQESA-N 0 0 236.275 2.173 20 5 BEBDRN Cc1cc(SCCO)c([N+](=O)[O-])s1 ZINC000596051480 348433533 /nfs/dbraw/zinc/43/35/33/348433533.db2.gz SCOQJWZODIEVFP-UHFFFAOYSA-N 0 0 219.287 2.049 20 5 BEBDRN CCOCCSCc1onc(C)c1[N+](=O)[O-] ZINC000596020548 348423593 /nfs/dbraw/zinc/42/35/93/348423593.db2.gz GMTSHOYMBPVLCL-UHFFFAOYSA-N 0 0 246.288 2.161 20 5 BEBDRN CC(=O)[C@H](C)SCc1onc(C)c1[N+](=O)[O-] ZINC000596025007 348424533 /nfs/dbraw/zinc/42/45/33/348424533.db2.gz VWPNCUDWDYXTRP-ZETCQYMHSA-N 0 0 244.272 2.102 20 5 BEBDRN CC1(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCC1 ZINC000596175607 348462528 /nfs/dbraw/zinc/46/25/28/348462528.db2.gz VEANJGJSCPSPAC-UHFFFAOYSA-N 0 0 249.270 2.048 20 5 BEBDRN CC[C@@H](CO)Nc1cc(C)sc1[N+](=O)[O-] ZINC000596220367 348469537 /nfs/dbraw/zinc/46/95/37/348469537.db2.gz AFWLQEABXNEIER-ZETCQYMHSA-N 0 0 230.289 2.148 20 5 BEBDRN CN(CC1=CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000596463920 348543958 /nfs/dbraw/zinc/54/39/58/348543958.db2.gz AURDRJWMWDALHO-UHFFFAOYSA-N 0 0 248.282 2.378 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@]23C[C@@H]2CCC3)nc1 ZINC000596317894 348505851 /nfs/dbraw/zinc/50/58/51/348505851.db2.gz VIRQHBORIVNRSR-KWQFWETISA-N 0 0 219.244 2.344 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H](CO)C2CCC2)cc1 ZINC000596324385 348507335 /nfs/dbraw/zinc/50/73/35/348507335.db2.gz HTRXCXZLUQVKCQ-LBPRGKRZSA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2C[C@H](O)C2)c(Cl)c1 ZINC000596555462 348577838 /nfs/dbraw/zinc/57/78/38/348577838.db2.gz CTZRSPLCNWIJFW-FKQCQYRASA-N 0 0 242.662 2.183 20 5 BEBDRN CN(C[C@H]1CC1(C)C)c1ccncc1[N+](=O)[O-] ZINC000596565554 348580158 /nfs/dbraw/zinc/58/01/58/348580158.db2.gz AGAIODIJUQNHJW-SECBINFHSA-N 0 0 235.287 2.472 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCCOCCF)c1 ZINC000596568754 348580957 /nfs/dbraw/zinc/58/09/57/348580957.db2.gz BVGBXRFREOTRMV-UHFFFAOYSA-N 0 0 242.250 2.301 20 5 BEBDRN Cc1cc(NCCOCCF)ccc1[N+](=O)[O-] ZINC000596568854 348581362 /nfs/dbraw/zinc/58/13/62/348581362.db2.gz CSMKTHSNCCNRFR-UHFFFAOYSA-N 0 0 242.250 2.301 20 5 BEBDRN O=C(CCCF)Nc1cccc([N+](=O)[O-])c1 ZINC000596620581 348595016 /nfs/dbraw/zinc/59/50/16/348595016.db2.gz QFOPNNXXHFMCGR-UHFFFAOYSA-N 0 0 226.207 2.283 20 5 BEBDRN Cc1n[nH]c(C)c1-c1cc([N+](=O)[O-])ccc1CO ZINC000596635352 348598287 /nfs/dbraw/zinc/59/82/87/348598287.db2.gz YWWFSUNRRUYAPH-UHFFFAOYSA-N 0 0 247.254 2.094 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCCC2CCC2)nc1 ZINC000596474770 348553935 /nfs/dbraw/zinc/55/39/35/348553935.db2.gz CLJKWHOZGXFRGU-UHFFFAOYSA-N 0 0 235.287 2.404 20 5 BEBDRN Cc1cc(NC2([C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000596524160 348564736 /nfs/dbraw/zinc/56/47/36/348564736.db2.gz QQNGBFYVLSFUQT-VIFPVBQESA-N 0 0 236.271 2.229 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3C[C@@H]3C2)c1 ZINC000596508965 348571976 /nfs/dbraw/zinc/57/19/76/348571976.db2.gz GJVYCQFLABRWEP-NXEZZACHSA-N 0 0 248.282 2.450 20 5 BEBDRN COc1cc(N2CC[C@H]3C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000596509892 348572312 /nfs/dbraw/zinc/57/23/12/348572312.db2.gz KBFSNKIAFLEXAB-UWVGGRQHSA-N 0 0 248.282 2.450 20 5 BEBDRN C[C@H]1C[C@H](Nc2ccccc2[N+](=O)[O-])CO1 ZINC000401895958 348609437 /nfs/dbraw/zinc/60/94/37/348609437.db2.gz XAXSKDDYHMBUJZ-IUCAKERBSA-N 0 0 222.244 2.184 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[C@@H]2C1 ZINC000596512343 348574057 /nfs/dbraw/zinc/57/40/57/348574057.db2.gz UPXALLRZTRMHDS-NXEZZACHSA-N 0 0 233.271 2.144 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@@H]1C[C@@H](O)C12CCC2 ZINC000596514686 348575336 /nfs/dbraw/zinc/57/53/36/348575336.db2.gz XZBCVCAIYYSQGT-VXGBXAGGSA-N 0 0 248.282 2.310 20 5 BEBDRN Cc1cnc(COc2ccc([N+](=O)[O-])cc2)cn1 ZINC000352549494 179615944 /nfs/dbraw/zinc/61/59/44/179615944.db2.gz CASFHRYXCKJGJC-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN CC[C@H](C)N(CC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000597854627 348826125 /nfs/dbraw/zinc/82/61/25/348826125.db2.gz KEJDPKIVRDPEQF-QMMMGPOBSA-N 0 0 240.259 2.448 20 5 BEBDRN O=C(N[C@]12C[C@H]1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000597884737 348833067 /nfs/dbraw/zinc/83/30/67/348833067.db2.gz QMAJTHNAXFZHIC-ZWNOBZJWSA-N 0 0 246.266 2.267 20 5 BEBDRN CC12CC(C1)CN2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000598568543 348992925 /nfs/dbraw/zinc/99/29/25/348992925.db2.gz XYLPWNRHTJLGSX-UHFFFAOYSA-N 0 0 246.266 2.219 20 5 BEBDRN CC1CC(CNc2ncccc2[N+](=O)[O-])C1 ZINC000598643851 349008707 /nfs/dbraw/zinc/00/87/07/349008707.db2.gz SHODKBPRDLWICF-UHFFFAOYSA-N 0 0 221.260 2.448 20 5 BEBDRN COCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599013243 349082195 /nfs/dbraw/zinc/08/21/95/349082195.db2.gz FWXHXVXUKXHRQR-UHFFFAOYSA-N 0 0 247.254 2.201 20 5 BEBDRN Cc1nn(C)c(NCC2CC=CC2)c1[N+](=O)[O-] ZINC000599128390 349102897 /nfs/dbraw/zinc/10/28/97/349102897.db2.gz ZMCYURFPLCEHII-UHFFFAOYSA-N 0 0 236.275 2.015 20 5 BEBDRN O=[N+]([O-])c1sccc1N1CC2(C1)CCCO2 ZINC000599144307 349104850 /nfs/dbraw/zinc/10/48/50/349104850.db2.gz JYPUSHORKWWFSX-UHFFFAOYSA-N 0 0 240.284 2.026 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCc1cocn1 ZINC000308902872 349060427 /nfs/dbraw/zinc/06/04/27/349060427.db2.gz JEWGPQHEFPJCRT-UHFFFAOYSA-N 0 0 225.229 2.256 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CCCOC2)s1 ZINC000308904267 349061137 /nfs/dbraw/zinc/06/11/37/349061137.db2.gz KZLKCHHOTONEEX-ZETCQYMHSA-N 0 0 228.273 2.247 20 5 BEBDRN Cc1nn(CC2CC2)c2ncc([N+](=O)[O-])cc12 ZINC000598912270 349062167 /nfs/dbraw/zinc/06/21/67/349062167.db2.gz YECIEBVDINZYTH-UHFFFAOYSA-N 0 0 232.243 2.058 20 5 BEBDRN Cc1cccc(N[C@H]2CO[C@H](C)C2)c1[N+](=O)[O-] ZINC000402017922 349146999 /nfs/dbraw/zinc/14/69/99/349146999.db2.gz DJMVCLSAXZNUCI-NXEZZACHSA-N 0 0 236.271 2.493 20 5 BEBDRN CO[C@H]1C[C@H](Nc2c(C)cccc2[N+](=O)[O-])C1 ZINC000599189508 349114434 /nfs/dbraw/zinc/11/44/34/349114434.db2.gz GDLZZCYKUQBCOJ-MGCOHNPYSA-N 0 0 236.271 2.493 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC[C@H]1CCCC12CC2 ZINC000599205036 349118836 /nfs/dbraw/zinc/11/88/36/349118836.db2.gz ANOJUTHVFXPLHG-SNVBAGLBSA-N 0 0 247.298 2.404 20 5 BEBDRN O=[N+]([O-])c1cccc(SC[C@H]2C[C@@H](O)C2)c1 ZINC000421843153 192392533 /nfs/dbraw/zinc/39/25/33/192392533.db2.gz PPAITQLTOVERKM-WAAGHKOSSA-N 0 0 239.296 2.458 20 5 BEBDRN C[C@@H]1CC[C@H]1Nc1cccnc1[N+](=O)[O-] ZINC000309039864 349367108 /nfs/dbraw/zinc/36/71/08/349367108.db2.gz JCGKLPCDRKNOIJ-HTQZYQBOSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@@H](O)C[C@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000309034768 349369471 /nfs/dbraw/zinc/36/94/71/349369471.db2.gz HKQMYRZKMUUVSJ-NKWVEPMBSA-N 0 0 230.289 2.228 20 5 BEBDRN Cc1ccc(CNc2cccnc2[N+](=O)[O-])cn1 ZINC000159335740 350037612 /nfs/dbraw/zinc/03/76/12/350037612.db2.gz TYZIEZLTSAAFKY-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CNc1c(C(=O)OC(C)C)cccc1[N+](=O)[O-] ZINC000342332198 350061599 /nfs/dbraw/zinc/06/15/99/350061599.db2.gz GUCOZPLEZRDIJI-UHFFFAOYSA-N 0 0 238.243 2.202 20 5 BEBDRN CC[C@@H](O)CCNc1cccc(C)c1[N+](=O)[O-] ZINC000218869084 350106018 /nfs/dbraw/zinc/10/60/18/350106018.db2.gz VWVATYIVYTWPBT-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1nc(NC2CC=CC2)ccc1[N+](=O)[O-] ZINC000131246974 180015693 /nfs/dbraw/zinc/01/56/93/180015693.db2.gz GCHJDVKTNBSITR-UHFFFAOYSA-N 0 0 219.244 2.429 20 5 BEBDRN Cc1nc(SC[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000161561509 180030984 /nfs/dbraw/zinc/03/09/84/180030984.db2.gz DYHHAFPCQABREZ-ZETCQYMHSA-N 0 0 242.300 2.019 20 5 BEBDRN Cc1nccc(NCc2ccccc2[N+](=O)[O-])n1 ZINC000054936438 180203048 /nfs/dbraw/zinc/20/30/48/180203048.db2.gz IJCYTDMRQNQNOL-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN COc1cc(NCCF)c([N+](=O)[O-])cc1C ZINC000309225496 350212617 /nfs/dbraw/zinc/21/26/17/350212617.db2.gz ADQPYXNHGBJYOH-UHFFFAOYSA-N 0 0 228.223 2.293 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@H]1CCCOC1 ZINC000038046427 350303228 /nfs/dbraw/zinc/30/32/28/350303228.db2.gz YNYZKNATFVBCMK-SNVBAGLBSA-N 0 0 236.271 2.433 20 5 BEBDRN CC(C)[C@H](Nc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000324516658 350304519 /nfs/dbraw/zinc/30/45/19/350304519.db2.gz JPUYHQNEKCLOFC-VIFPVBQESA-N 0 0 238.291 2.175 20 5 BEBDRN CC(C)[C@@H](CO)CNc1ccsc1[N+](=O)[O-] ZINC000309395743 350367172 /nfs/dbraw/zinc/36/71/72/350367172.db2.gz VIPALBZSCPOFMG-MRVPVSSYSA-N 0 0 244.316 2.333 20 5 BEBDRN Cc1nn(C)c(NCCC2(C)CC2)c1[N+](=O)[O-] ZINC000281597374 180358359 /nfs/dbraw/zinc/35/83/59/180358359.db2.gz XVVCYDWJEQUYCI-UHFFFAOYSA-N 0 0 238.291 2.239 20 5 BEBDRN Cc1nn(C)c(NCC(C)(C)C)c1[N+](=O)[O-] ZINC000040494107 180358529 /nfs/dbraw/zinc/35/85/29/180358529.db2.gz XUDXQLDWGOVBLA-UHFFFAOYSA-N 0 0 226.280 2.095 20 5 BEBDRN Cc1nn(C)c(N[C@@H]2CCC2(C)C)c1[N+](=O)[O-] ZINC000286384818 180360747 /nfs/dbraw/zinc/36/07/47/180360747.db2.gz KRHMFGBEVISKCP-MRVPVSSYSA-N 0 0 238.291 2.237 20 5 BEBDRN Cc1nn(C)c(N[C@H]2CCC2(C)C)c1[N+](=O)[O-] ZINC000286384819 180360811 /nfs/dbraw/zinc/36/08/11/180360811.db2.gz KRHMFGBEVISKCP-QMMMGPOBSA-N 0 0 238.291 2.237 20 5 BEBDRN Cc1nn(C/C=C/Cl)c(C)c1[N+](=O)[O-] ZINC000057960108 180384990 /nfs/dbraw/zinc/38/49/90/180384990.db2.gz HLNJLPFHBVBNHU-ONEGZZNKSA-N 0 0 215.640 2.161 20 5 BEBDRN Cc1nn([C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295295360 180393398 /nfs/dbraw/zinc/39/33/98/180393398.db2.gz JQNPNTSUQOMIJD-APPZFPTMSA-N 0 0 209.249 2.461 20 5 BEBDRN Cc1nnc(CNc2cccc([N+](=O)[O-])c2C)o1 ZINC000296108645 180415469 /nfs/dbraw/zinc/41/54/69/180415469.db2.gz BFJQOHQWGOFWIA-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000051405320 350718561 /nfs/dbraw/zinc/71/85/61/350718561.db2.gz HUOGRTQPJJLFLS-UHFFFAOYSA-N 0 0 235.243 2.221 20 5 BEBDRN Cc1nc(N[C@H]2C[C@@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000343820132 350993148 /nfs/dbraw/zinc/99/31/48/350993148.db2.gz WXKDWRULFDKCAH-BQBZGAKWSA-N 0 0 243.213 2.364 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@@H]1C(F)F ZINC000343847097 351000180 /nfs/dbraw/zinc/00/01/80/351000180.db2.gz IRKRUAIEBLMGQE-YUMQZZPRSA-N 0 0 243.213 2.364 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1C[C@H]1C(F)F ZINC000343847095 351000561 /nfs/dbraw/zinc/00/05/61/351000561.db2.gz IRKRUAIEBLMGQE-SFYZADRCSA-N 0 0 243.213 2.364 20 5 BEBDRN Cc1sc(C(=O)NOC(C)C)cc1[N+](=O)[O-] ZINC000295522028 180557389 /nfs/dbraw/zinc/55/73/89/180557389.db2.gz IQTWIOQOSQNTBH-UHFFFAOYSA-N 0 0 244.272 2.035 20 5 BEBDRN CCC[C@@H](CC)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344525869 351157359 /nfs/dbraw/zinc/15/73/59/351157359.db2.gz NZBUEJKSAQORGY-MRVPVSSYSA-N 0 0 239.275 2.231 20 5 BEBDRN CN(Cc1ccccn1)c1ccc([N+](=O)[O-])nc1 ZINC000344442126 351127431 /nfs/dbraw/zinc/12/74/31/351127431.db2.gz RDBINWBFTDNNCL-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN CCc1cnc(CNc2ncccc2[N+](=O)[O-])o1 ZINC000228870869 351451435 /nfs/dbraw/zinc/45/14/35/351451435.db2.gz RQJHQMBIIPVUIX-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CC(C)=CCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000284404134 187518927 /nfs/dbraw/zinc/51/89/27/187518927.db2.gz ZUXHXJXPVOJAPZ-UHFFFAOYSA-N 0 0 242.662 2.376 20 5 BEBDRN COC[C@H](Nc1ccc([N+](=O)[O-])cn1)C(C)C ZINC000086702358 352520274 /nfs/dbraw/zinc/52/02/74/352520274.db2.gz FIAYKJTZRSAUFH-JTQLQIEISA-N 0 0 239.275 2.073 20 5 BEBDRN COC[C@@H](Nc1ncccc1[N+](=O)[O-])C(C)C ZINC000086703233 352520512 /nfs/dbraw/zinc/52/05/12/352520512.db2.gz RFQUIZGPNIENNX-SECBINFHSA-N 0 0 239.275 2.073 20 5 BEBDRN CC(C)CCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000045505731 353123553 /nfs/dbraw/zinc/12/35/53/353123553.db2.gz JRMRPKUCUQTUGC-UHFFFAOYSA-N 0 0 239.275 2.041 20 5 BEBDRN Cc1cc(OCC[C@H](C)O)ccc1[N+](=O)[O-] ZINC000134046880 353157456 /nfs/dbraw/zinc/15/74/56/353157456.db2.gz ZUWBHOYGMUMINN-VIFPVBQESA-N 0 0 225.244 2.053 20 5 BEBDRN CC(C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000040779271 188118571 /nfs/dbraw/zinc/11/85/71/188118571.db2.gz IOVYRIUXLURZTJ-NSHDSACASA-N 0 0 238.287 2.414 20 5 BEBDRN CC(C)CSCCn1cc([N+](=O)[O-])cn1 ZINC000074783062 188131930 /nfs/dbraw/zinc/13/19/30/188131930.db2.gz REPKHQAQOQWBSN-UHFFFAOYSA-N 0 0 229.305 2.181 20 5 BEBDRN CC(C)(O)CCNc1cccc(F)c1[N+](=O)[O-] ZINC000274808491 188200868 /nfs/dbraw/zinc/20/08/68/188200868.db2.gz XIINIEPWAOQIGV-UHFFFAOYSA-N 0 0 242.250 2.307 20 5 BEBDRN O=[N+]([O-])c1cnc(NCc2cscn2)s1 ZINC000189686842 353311364 /nfs/dbraw/zinc/31/13/64/353311364.db2.gz OSYWABZTYUXPSG-UHFFFAOYSA-N 0 0 242.285 2.120 20 5 BEBDRN C/C=C\CSCc1c([N+](=O)[O-])ncn1C ZINC000357038273 188421763 /nfs/dbraw/zinc/42/17/63/188421763.db2.gz NTDYIFFORCKGLU-ARJAWSKDSA-N 0 0 227.289 2.138 20 5 BEBDRN CC(C)[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000361045157 188425594 /nfs/dbraw/zinc/42/55/94/188425594.db2.gz VYLKKDZTOWLSDB-SNVBAGLBSA-N 0 0 235.287 2.472 20 5 BEBDRN CCCCCNc1ncc([N+](=O)[O-])c(C)n1 ZINC000295592256 168724356 /nfs/dbraw/zinc/72/43/56/168724356.db2.gz XOTMIMXNMWCGKX-UHFFFAOYSA-N 0 0 224.264 2.295 20 5 BEBDRN CC(C)(C)c1ccc(NCCO)cc1[N+](=O)[O-] ZINC000340607554 188573523 /nfs/dbraw/zinc/57/35/23/188573523.db2.gz VCXPDMVZLSIPCG-UHFFFAOYSA-N 0 0 238.287 2.297 20 5 BEBDRN CC1(C)CCC[C@@H](n2cnc([N+](=O)[O-])c2)C1=O ZINC000412985455 191329992 /nfs/dbraw/zinc/32/99/92/191329992.db2.gz FTMDMFBROKJVFG-MRVPVSSYSA-N 0 0 237.259 2.112 20 5 BEBDRN CC(C)CN(C)c1ncc([N+](=O)[O-])cc1F ZINC000413093184 191355247 /nfs/dbraw/zinc/35/52/47/191355247.db2.gz HZCRWYAQNKJOKZ-UHFFFAOYSA-N 0 0 227.239 2.221 20 5 BEBDRN C[C@H](O)CSCc1csc([N+](=O)[O-])c1 ZINC000413019826 191341854 /nfs/dbraw/zinc/34/18/54/191341854.db2.gz UVQWMKNEDTZLOV-LURJTMIESA-N 0 0 233.314 2.270 20 5 BEBDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1F)C1CC1 ZINC000413036990 191353049 /nfs/dbraw/zinc/35/30/49/191353049.db2.gz QCLZWKVFFGRMKF-ZCFIWIBFSA-N 0 0 225.223 2.339 20 5 BEBDRN CS[C@@H](C)CNc1ncc([N+](=O)[O-])cc1F ZINC000413197145 191362521 /nfs/dbraw/zinc/36/25/21/191362521.db2.gz FOGNBZNYFGUUJX-LURJTMIESA-N 0 0 245.279 2.292 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CC[C@@H](F)C2)c(F)c1 ZINC000413299461 191370578 /nfs/dbraw/zinc/37/05/78/191370578.db2.gz LUTPPDANNZOZSX-RNFRBKRXSA-N 0 0 243.213 2.431 20 5 BEBDRN Cn1cc(CNc2ccsc2[N+](=O)[O-])cn1 ZINC000049057370 355381770 /nfs/dbraw/zinc/38/17/70/355381770.db2.gz BSOHBNQDCBDBML-UHFFFAOYSA-N 0 0 238.272 2.002 20 5 BEBDRN CN(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000335827398 355553026 /nfs/dbraw/zinc/55/30/26/355553026.db2.gz DZWSMSPMHNJXRQ-LLVKDONJSA-N 0 0 248.282 2.465 20 5 BEBDRN C[C@@H]1C[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000053104043 355808507 /nfs/dbraw/zinc/80/85/07/355808507.db2.gz JNKVYBDJXTZIBH-RNFRBKRXSA-N 0 0 240.284 2.042 20 5 BEBDRN COC(=O)c1cc(OC(C)C)ccc1[N+](=O)[O-] ZINC000168547562 356098594 /nfs/dbraw/zinc/09/85/94/356098594.db2.gz VADQRXRZDFIRDY-UHFFFAOYSA-N 0 0 239.227 2.169 20 5 BEBDRN C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000049249066 356396214 /nfs/dbraw/zinc/39/62/14/356396214.db2.gz SWNRTKMQIUYSST-VDDIYKPWSA-N 0 0 248.282 2.428 20 5 BEBDRN Cc1cc(N2CC[C@@]23CCOC3)ccc1[N+](=O)[O-] ZINC000420634402 192252062 /nfs/dbraw/zinc/25/20/62/192252062.db2.gz CXJFOBFQCCKJPP-ZDUSSCGKSA-N 0 0 248.282 2.272 20 5 BEBDRN CC1(CC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000345870248 356481906 /nfs/dbraw/zinc/48/19/06/356481906.db2.gz PFYPMOLCYYQGLU-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN Cc1c(NC[C@H]2C[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000421184342 192314506 /nfs/dbraw/zinc/31/45/06/192314506.db2.gz AOYJNQFAMOKHNW-AOOOYVTPSA-N 0 0 236.271 2.086 20 5 BEBDRN COCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450208078 202096746 /nfs/dbraw/zinc/09/67/46/202096746.db2.gz JYFRWRFVTBFGHI-UHFFFAOYSA-N 0 0 247.254 2.201 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1Nc1cn[nH]c1 ZINC000030587653 356689969 /nfs/dbraw/zinc/68/99/69/356689969.db2.gz BTTLXXTYCSDNPB-UHFFFAOYSA-N 0 0 222.179 2.201 20 5 BEBDRN CC/C=C\CNc1c([N+](=O)[O-])c(C)nn1CC ZINC000384700694 356722616 /nfs/dbraw/zinc/72/26/16/356722616.db2.gz AQSOUFBMFLEWSE-SREVYHEPSA-N 0 0 238.291 2.498 20 5 BEBDRN O=[N+]([O-])c1ccc(S[C@@H]2CCCOC2)cn1 ZINC000450436052 202167727 /nfs/dbraw/zinc/16/77/27/202167727.db2.gz QNCIRUDSSMUDJS-SECBINFHSA-N 0 0 240.284 2.261 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H](C)CO)c1 ZINC000088725100 356795183 /nfs/dbraw/zinc/79/51/83/356795183.db2.gz OPGHJGRUSGJZMB-ZJUUUORDSA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](C)[C@H](C)CO)c1 ZINC000088725101 356795327 /nfs/dbraw/zinc/79/53/27/356795327.db2.gz OPGHJGRUSGJZMB-NXEZZACHSA-N 0 0 238.287 2.332 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccoc1 ZINC000016199916 356952948 /nfs/dbraw/zinc/95/29/48/356952948.db2.gz JSZABRSUACRIEI-UHFFFAOYSA-N 0 0 232.195 2.440 20 5 BEBDRN COc1cc(N2CC[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000450604140 202208930 /nfs/dbraw/zinc/20/89/30/202208930.db2.gz JLPZQRVWOAVAKJ-MRVPVSSYSA-N 0 0 240.234 2.152 20 5 BEBDRN O=[N+]([O-])c1cccc(Cn2cnc(C3CC3)n2)c1 ZINC000346345283 357025832 /nfs/dbraw/zinc/02/58/32/357025832.db2.gz HPQHPUXUZAGKQU-UHFFFAOYSA-N 0 0 244.254 2.112 20 5 BEBDRN Cc1noc(COc2cc(C)ccc2[N+](=O)[O-])n1 ZINC000026333574 357031396 /nfs/dbraw/zinc/03/13/96/357031396.db2.gz LQSORARTXQVTQE-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCOC2)c(F)c1 ZINC000037988088 357162329 /nfs/dbraw/zinc/16/23/29/357162329.db2.gz BBXIXBMZLSYMIO-QMMMGPOBSA-N 0 0 240.234 2.182 20 5 BEBDRN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000619146965 358004020 /nfs/dbraw/zinc/00/40/20/358004020.db2.gz KNEBDNFEDVUDGB-UHFFFAOYSA-N 0 0 240.284 2.138 20 5 BEBDRN CC[C@@H](C)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000055798109 363600837 /nfs/dbraw/zinc/60/08/37/363600837.db2.gz QWXQJLJYRAVOLF-SECBINFHSA-N 0 0 236.271 2.257 20 5 BEBDRN Cc1cccc(N[C@@H](C)C[C@@H](C)O)c1[N+](=O)[O-] ZINC000218881795 134265643 /nfs/dbraw/zinc/26/56/43/134265643.db2.gz JJRSKEWSYJZCRL-VHSXEESVSA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1noc(-c2cccc(C)c2[N+](=O)[O-])n1 ZINC000584631509 358313688 /nfs/dbraw/zinc/31/36/88/358313688.db2.gz BHBFBBKBPZSPQN-UHFFFAOYSA-N 0 0 219.200 2.262 20 5 BEBDRN CC1(F)CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000619500327 358574761 /nfs/dbraw/zinc/57/47/61/358574761.db2.gz MPMYZKQJPFPXCF-UHFFFAOYSA-N 0 0 245.641 2.191 20 5 BEBDRN CC1=C[C@H](C)CN(c2cccnc2[N+](=O)[O-])C1 ZINC000619528087 358696895 /nfs/dbraw/zinc/69/68/95/358696895.db2.gz UQSLTLKSNKYYKR-VIFPVBQESA-N 0 0 233.271 2.392 20 5 BEBDRN Cc1cc(NC(=O)c2cocn2)ccc1[N+](=O)[O-] ZINC000611475525 359377562 /nfs/dbraw/zinc/37/75/62/359377562.db2.gz KMQPOWZHAWVJJG-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN CC(C)Sc1ccc([N+](=O)[O-])cc1C(N)=O ZINC000180713678 366536592 /nfs/dbraw/zinc/53/65/92/366536592.db2.gz QYOWQNJMMFYCKZ-UHFFFAOYSA-N 0 0 240.284 2.194 20 5 BEBDRN CC(C)[C@@H]1C[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000450808260 202273164 /nfs/dbraw/zinc/27/31/64/202273164.db2.gz HUMGJFDUJQMYPR-YUMQZZPRSA-N 0 0 241.316 2.177 20 5 BEBDRN O=c1ccn(CC2=CCCCC2)cc1[N+](=O)[O-] ZINC000450861524 202291266 /nfs/dbraw/zinc/29/12/66/202291266.db2.gz YTOAVPHKKACPCU-UHFFFAOYSA-N 0 0 234.255 2.257 20 5 BEBDRN CCc1ncc(CNc2ncccc2[N+](=O)[O-])o1 ZINC000450846357 202285742 /nfs/dbraw/zinc/28/57/42/202285742.db2.gz MGPUMLIMMVYMRZ-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CCC1(CNc2ccc([N+](=O)[O-])cc2)COC1 ZINC000450851199 202288601 /nfs/dbraw/zinc/28/86/01/202288601.db2.gz XDEFKPJWSCTVGD-UHFFFAOYSA-N 0 0 236.271 2.433 20 5 BEBDRN CCOC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000169205061 359775264 /nfs/dbraw/zinc/77/52/64/359775264.db2.gz XJUOEPZNEMWTHD-QMMMGPOBSA-N 0 0 223.228 2.261 20 5 BEBDRN CC(=O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000037974515 360544704 /nfs/dbraw/zinc/54/47/04/360544704.db2.gz BCNKSHRTHDETQJ-UHFFFAOYSA-N 0 0 229.619 2.216 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@@H]2OCC[C@@H]2C1 ZINC000572478381 360635418 /nfs/dbraw/zinc/63/54/18/360635418.db2.gz JWZWXVTZAKKDSJ-MFKMUULPSA-N 0 0 248.282 2.210 20 5 BEBDRN C=CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000036334242 360925646 /nfs/dbraw/zinc/92/56/46/360925646.db2.gz RDLWPKRUGOFYKE-UHFFFAOYSA-N 0 0 206.201 2.028 20 5 BEBDRN C=CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000036334721 360926029 /nfs/dbraw/zinc/92/60/29/360926029.db2.gz XXWKPGUNYODJIZ-UHFFFAOYSA-N 0 0 206.201 2.028 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@@H](CO)CC(F)F ZINC000428654697 201030111 /nfs/dbraw/zinc/03/01/11/201030111.db2.gz CQWJQKZXQYIOLN-SSDOTTSWSA-N 0 0 246.213 2.023 20 5 BEBDRN COC[C@@H]1CCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000432165092 192935376 /nfs/dbraw/zinc/93/53/76/192935376.db2.gz GNGNYOIYSIMWJO-NSHDSACASA-N 0 0 236.271 2.128 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1CSCCC1CC1 ZINC000437922767 201378931 /nfs/dbraw/zinc/37/89/31/201378931.db2.gz NWZLKQLXKVVJAE-UHFFFAOYSA-N 0 0 241.316 2.362 20 5 BEBDRN O=[N+]([O-])c1ccnn1CCc1ccccc1F ZINC000432730976 192954116 /nfs/dbraw/zinc/95/41/16/192954116.db2.gz ROHRVOFIZXIPRV-UHFFFAOYSA-N 0 0 235.218 2.173 20 5 BEBDRN Cc1o[nH]c(=NCc2cccc([N+](=O)[O-])c2)c1C ZINC000453048891 202693600 /nfs/dbraw/zinc/69/36/00/202693600.db2.gz BENGPQXDOHWEKP-UHFFFAOYSA-N 0 0 247.254 2.234 20 5 BEBDRN O=[N+]([O-])c1cc2c(nc1NC1CC1)CCCC2 ZINC000573440688 364834402 /nfs/dbraw/zinc/83/44/02/364834402.db2.gz WCBJMLFUKBJXJO-UHFFFAOYSA-N 0 0 233.271 2.443 20 5 BEBDRN CCOC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185192583 367125829 /nfs/dbraw/zinc/12/58/29/367125829.db2.gz WUHHQGRTTIAAPS-ZETCQYMHSA-N 0 0 241.218 2.401 20 5 BEBDRN CC1(C)CCCN1c1ncc([N+](=O)[O-])s1 ZINC000581467606 367496322 /nfs/dbraw/zinc/49/63/22/367496322.db2.gz CKAQHWVZFBSIMX-UHFFFAOYSA-N 0 0 227.289 2.430 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(OC[C@H](C)OC)c1 ZINC000566216056 326015843 /nfs/dbraw/zinc/01/58/43/326015843.db2.gz JYUIMKKNFBOEIU-QMMMGPOBSA-N 0 0 241.243 2.017 20 5 BEBDRN O=C(C1CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000029891739 368245024 /nfs/dbraw/zinc/24/50/24/368245024.db2.gz BJGQSFKEAABHRZ-UHFFFAOYSA-N 0 0 246.266 2.284 20 5 BEBDRN CS[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000031701915 368251728 /nfs/dbraw/zinc/25/17/28/368251728.db2.gz UKLXEWHDGCUABS-ZETCQYMHSA-N 0 0 240.284 2.285 20 5 BEBDRN Cc1nc(COc2cccnc2[N+](=O)[O-])oc1C ZINC000060533905 368546039 /nfs/dbraw/zinc/54/60/39/368546039.db2.gz FBRNLFLKGFTWNR-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CCCN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000063737559 368595407 /nfs/dbraw/zinc/59/54/07/368595407.db2.gz ICXIUQRDITUWDL-UHFFFAOYSA-N 0 0 239.231 2.349 20 5 BEBDRN CN(Cc1cccnc1)c1ncccc1[N+](=O)[O-] ZINC000067949234 368707984 /nfs/dbraw/zinc/70/79/84/368707984.db2.gz FDDFJJZYFJEDSG-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN CCC1CN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000457307262 203037669 /nfs/dbraw/zinc/03/76/69/203037669.db2.gz LETCQVCSYFOLMG-UHFFFAOYSA-N 0 0 248.282 2.006 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000069524533 370946867 /nfs/dbraw/zinc/94/68/67/370946867.db2.gz SFVTVMKKUVBQFE-GMSGAONNSA-N 0 0 220.228 2.189 20 5 BEBDRN Cn1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000091008768 368954936 /nfs/dbraw/zinc/95/49/36/368954936.db2.gz DLYMOLHYLAIEKI-UHFFFAOYSA-N 0 0 245.282 2.223 20 5 BEBDRN CC[C@@H]1C[C@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000387786978 369343162 /nfs/dbraw/zinc/34/31/62/369343162.db2.gz FHTKHJFZDUZPDY-BDAKNGLRSA-N 0 0 238.291 2.095 20 5 BEBDRN C[C@H](Cc1ccccc1[N+](=O)[O-])NCC(F)F ZINC000459551396 203298743 /nfs/dbraw/zinc/29/87/43/203298743.db2.gz VVKJPALFEIELCE-MRVPVSSYSA-N 0 0 244.241 2.381 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000060515165 369490331 /nfs/dbraw/zinc/49/03/31/369490331.db2.gz SFVTVMKKUVBQFE-XCBNKYQSSA-N 0 0 220.228 2.189 20 5 BEBDRN C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000111254232 370118100 /nfs/dbraw/zinc/11/81/00/370118100.db2.gz HWWJJOQUXFLIKK-ZETCQYMHSA-N 0 0 242.250 2.305 20 5 BEBDRN CCOCCCNc1ccsc1[N+](=O)[O-] ZINC000063256049 370144182 /nfs/dbraw/zinc/14/41/82/370144182.db2.gz NDQBFHFIAGWQFR-UHFFFAOYSA-N 0 0 230.289 2.495 20 5 BEBDRN C[C@@H]1SCC[C@@H]1Nc1cccnc1[N+](=O)[O-] ZINC000309531972 370223515 /nfs/dbraw/zinc/22/35/15/370223515.db2.gz AALVYMNKPDICCB-YUMQZZPRSA-N 0 0 239.300 2.296 20 5 BEBDRN C[C@](O)(CNc1sccc1[N+](=O)[O-])C1CC1 ZINC000309947070 370277467 /nfs/dbraw/zinc/27/74/67/370277467.db2.gz DSYHTJOIRPWGJN-JTQLQIEISA-N 0 0 242.300 2.229 20 5 BEBDRN Cc1nc(S[C@H](C)CCO)ccc1[N+](=O)[O-] ZINC000161563385 370412087 /nfs/dbraw/zinc/41/20/87/370412087.db2.gz TTXGRKBZDUEJBU-SSDOTTSWSA-N 0 0 242.300 2.161 20 5 BEBDRN CC(C)OCCCNc1ccncc1[N+](=O)[O-] ZINC000066796372 370610854 /nfs/dbraw/zinc/61/08/54/370610854.db2.gz SDYPLTJVJGBHNF-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN O=[N+]([O-])c1cnccc1NCc1cccc(O)c1 ZINC000066810073 370612211 /nfs/dbraw/zinc/61/22/11/370612211.db2.gz KYHHDMFPPOKJDC-UHFFFAOYSA-N 0 0 245.238 2.308 20 5 BEBDRN O=[N+]([O-])c1ncn(CCC2CCCCC2)n1 ZINC000078962762 370614295 /nfs/dbraw/zinc/61/42/95/370614295.db2.gz WSZKWKPOKUTUQH-UHFFFAOYSA-N 0 0 224.264 2.157 20 5 BEBDRN CC[C@@H](O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000156998446 371514003 /nfs/dbraw/zinc/51/40/03/371514003.db2.gz OSDQBVHBIRPEDZ-SSDOTTSWSA-N 0 0 245.662 2.398 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn(Cc2ccccc2)c1=O ZINC000096778337 371515468 /nfs/dbraw/zinc/51/54/68/371515468.db2.gz BQECNNWCHOGZKL-UHFFFAOYSA-N 0 0 244.250 2.113 20 5 BEBDRN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000157199885 371535287 /nfs/dbraw/zinc/53/52/87/371535287.db2.gz SAOOEDYNNZASQQ-MRVPVSSYSA-N 0 0 232.243 2.491 20 5 BEBDRN Cc1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000350880491 371597744 /nfs/dbraw/zinc/59/77/44/371597744.db2.gz RDQZHSCXQAGXFP-UHFFFAOYSA-N 0 0 211.202 2.015 20 5 BEBDRN CC(C)Oc1cc(Cl)ncc1[N+](=O)[O-] ZINC000215976538 371667802 /nfs/dbraw/zinc/66/78/02/371667802.db2.gz KRDGKHZNAHNYKH-UHFFFAOYSA-N 0 0 216.624 2.430 20 5 BEBDRN C/C=C\CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000600495072 371674700 /nfs/dbraw/zinc/67/47/00/371674700.db2.gz ULPAREFBIBYYTC-ARJAWSKDSA-N 0 0 234.255 2.209 20 5 BEBDRN CC1(C)CC(Cn2nccc2[N+](=O)[O-])C1 ZINC000600517526 371678566 /nfs/dbraw/zinc/67/85/66/371678566.db2.gz BWHMCKJOPIXBQY-UHFFFAOYSA-N 0 0 209.249 2.228 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CC[C@@H]1CCCCO1 ZINC000351673896 371653400 /nfs/dbraw/zinc/65/34/00/371653400.db2.gz KBVQDSPPBXZYQV-JTQLQIEISA-N 0 0 239.275 2.059 20 5 BEBDRN Cc1cnc(OC[C@H]2C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000600538288 371681664 /nfs/dbraw/zinc/68/16/64/371681664.db2.gz UPQCSUSYAZSRRG-DTWKUNHWSA-N 0 0 222.244 2.333 20 5 BEBDRN CCC[C@@H](CCO)Nc1ncc([N+](=O)[O-])s1 ZINC000601212156 371738611 /nfs/dbraw/zinc/73/86/11/371738611.db2.gz HCHSWSGBLIZSRV-ZETCQYMHSA-N 0 0 245.304 2.014 20 5 BEBDRN C[C@@H](CC1CCC1)Nc1c([N+](=O)[O-])ncn1C ZINC000601247120 371741896 /nfs/dbraw/zinc/74/18/96/371741896.db2.gz WTZJJTOMXWZBIN-QMMMGPOBSA-N 0 0 238.291 2.319 20 5 BEBDRN C[C@@H]1OCC[C@@H]1COc1cccc([N+](=O)[O-])c1 ZINC000601069403 371724455 /nfs/dbraw/zinc/72/44/55/371724455.db2.gz IEFFDYDWUYTLRU-VHSXEESVSA-N 0 0 237.255 2.399 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1COC1CCCCC1 ZINC000601076574 371725677 /nfs/dbraw/zinc/72/56/77/371725677.db2.gz OXGKKFBKBPIPOD-UHFFFAOYSA-N 0 0 239.275 2.407 20 5 BEBDRN C[C@H]1OCC[C@H]1COc1ccc([N+](=O)[O-])cc1 ZINC000601071091 371725823 /nfs/dbraw/zinc/72/58/23/371725823.db2.gz UFJYQIJAKZZDDD-ZJUUUORDSA-N 0 0 237.255 2.399 20 5 BEBDRN O=c1[nH]ccc(N[C@@H]2CCCC23CC3)c1[N+](=O)[O-] ZINC000601210354 371740238 /nfs/dbraw/zinc/74/02/38/371740238.db2.gz PYJKOWVWGWYSDR-SECBINFHSA-N 0 0 249.270 2.440 20 5 BEBDRN C[C@H]1C[C@H]1COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000600534312 371683321 /nfs/dbraw/zinc/68/33/21/371683321.db2.gz VDZDCDKMMPRTAJ-WPRPVWTQSA-N 0 0 237.255 2.122 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(SCCCO)n1 ZINC000601216978 371737764 /nfs/dbraw/zinc/73/77/64/371737764.db2.gz LHGMEUANYPVRQF-UHFFFAOYSA-N 0 0 242.300 2.081 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](CO)C2)c1 ZINC000601212060 371738563 /nfs/dbraw/zinc/73/85/63/371738563.db2.gz RFEMJNZDYGCDRD-AOOOYVTPSA-N 0 0 236.271 2.086 20 5 BEBDRN CC[C@@H]1C[C@H]1Nc1cccnc1[N+](=O)[O-] ZINC000227012198 371768506 /nfs/dbraw/zinc/76/85/06/371768506.db2.gz ALJDBNUWZOSQOO-VXNVDRBHSA-N 0 0 207.233 2.200 20 5 BEBDRN CC(F)(F)CNCCc1ccc([N+](=O)[O-])cc1 ZINC000602673153 371830925 /nfs/dbraw/zinc/83/09/25/371830925.db2.gz CGTRAZCTEQAVFZ-UHFFFAOYSA-N 0 0 244.241 2.382 20 5 BEBDRN Cc1cc(NC(=O)N2CC=CC2)ccc1[N+](=O)[O-] ZINC000602928551 371857454 /nfs/dbraw/zinc/85/74/54/371857454.db2.gz ZNMFSYMAAMHKBK-UHFFFAOYSA-N 0 0 247.254 2.307 20 5 BEBDRN Cc1c(NCC2(C)COC2)cccc1[N+](=O)[O-] ZINC000227522732 371882917 /nfs/dbraw/zinc/88/29/17/371882917.db2.gz AKCDUPKZRKMVRD-UHFFFAOYSA-N 0 0 236.271 2.352 20 5 BEBDRN Cc1nn(CC2CCC2)c2ncc([N+](=O)[O-])cc12 ZINC000603329566 371884660 /nfs/dbraw/zinc/88/46/60/371884660.db2.gz WIDJXDOJTYWXQA-UHFFFAOYSA-N 0 0 246.270 2.448 20 5 BEBDRN CC[C@H]1CN(c2ccc([N+](=O)[O-])s2)CCO1 ZINC000603937444 371941073 /nfs/dbraw/zinc/94/10/73/371941073.db2.gz VXLWDECQIGZHMQ-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN CC(C)(Nc1ccc([N+](=O)[O-])nc1)c1ncc[nH]1 ZINC000603405666 371891124 /nfs/dbraw/zinc/89/11/24/371891124.db2.gz CGRNSDXAXDJRGG-UHFFFAOYSA-N 0 0 247.258 2.060 20 5 BEBDRN C[C@H]1CC[C@@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000230435275 371909854 /nfs/dbraw/zinc/90/98/54/371909854.db2.gz JHJUNVUMEBXXFB-DTWKUNHWSA-N 0 0 238.291 2.176 20 5 BEBDRN C[C@@H]1CC[C@H](CNc2ncc([N+](=O)[O-])cn2)C1 ZINC000230434761 371910016 /nfs/dbraw/zinc/91/00/16/371910016.db2.gz LRTLTBDEPLUWKD-BDAKNGLRSA-N 0 0 236.275 2.233 20 5 BEBDRN C[C@H](O)CCSc1ccc([N+](=O)[O-])cc1 ZINC000134067158 372154478 /nfs/dbraw/zinc/15/44/78/372154478.db2.gz WIAYYDVLLNONSO-QMMMGPOBSA-N 0 0 227.285 2.458 20 5 BEBDRN Cc1c[nH]c(CNc2sccc2[N+](=O)[O-])n1 ZINC001643012495 1172425546 /nfs/dbraw/zinc/42/55/46/1172425546.db2.gz CDEPBYYUGXIDGW-UHFFFAOYSA-N 0 0 238.272 2.300 20 5 BEBDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CCC1 ZINC000026147116 182037848 /nfs/dbraw/zinc/03/78/48/182037848.db2.gz JIXZJXDCJHKEPU-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN Cc1cccc(CNc2ncc([N+](=O)[O-])cn2)c1 ZINC000040454728 373274727 /nfs/dbraw/zinc/27/47/27/373274727.db2.gz AKGKCYLVJKAGRA-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN O=C(NC1CCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000052210632 182106445 /nfs/dbraw/zinc/10/64/45/182106445.db2.gz PYOOQBCXRZMONQ-UHFFFAOYSA-N 0 0 238.218 2.016 20 5 BEBDRN CN(C[Si](C)(C)C)c1ncc([N+](=O)[O-])s1 ZINC001643209924 1172449632 /nfs/dbraw/zinc/44/96/32/1172449632.db2.gz LNCGQMXONIQQQO-UHFFFAOYSA-N 0 0 245.380 2.365 20 5 BEBDRN O=C(NCCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000266040481 182206195 /nfs/dbraw/zinc/20/61/95/182206195.db2.gz LDSNCDPSQNYHPV-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN O=C(NCCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000048919416 182202858 /nfs/dbraw/zinc/20/28/58/182202858.db2.gz FSNVEJBXSJCZNZ-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN CN(CC1CCC1)c1ncc([N+](=O)[O-])s1 ZINC000192453434 205952063 /nfs/dbraw/zinc/95/20/63/205952063.db2.gz KAMINZFYILBTRS-UHFFFAOYSA-N 0 0 227.289 2.288 20 5 BEBDRN CC(=O)c1cc([N+](=O)[O-])ccc1OCC(F)F ZINC000143622846 374232253 /nfs/dbraw/zinc/23/22/53/374232253.db2.gz IQQOSVVJQLVFMB-UHFFFAOYSA-N 0 0 245.181 2.441 20 5 BEBDRN CC(C)C[C@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000224294436 206012154 /nfs/dbraw/zinc/01/21/54/206012154.db2.gz ZSNRYWLMGUNYRH-LBPRGKRZSA-N 0 0 238.287 2.414 20 5 BEBDRN O=C(N[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000172492435 182291730 /nfs/dbraw/zinc/29/17/30/182291730.db2.gz WNFRKGOXEPASIY-LLVKDONJSA-N 0 0 246.266 2.433 20 5 BEBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C1=CCC1 ZINC000336311579 182349203 /nfs/dbraw/zinc/34/92/03/182349203.db2.gz SUBREGIQMJKXDN-UHFFFAOYSA-N 0 0 236.202 2.393 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(F)F ZINC000297758586 182362359 /nfs/dbraw/zinc/36/23/59/182362359.db2.gz ITQRNCNVLNQJOB-QMMMGPOBSA-N 0 0 242.181 2.189 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cscn1 ZINC000059895283 182371656 /nfs/dbraw/zinc/37/16/56/182371656.db2.gz APDWEEBDYXNGHK-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C1=COCCC1 ZINC000068317464 182372208 /nfs/dbraw/zinc/37/22/08/182372208.db2.gz KCDZWZLJZKVOSU-UHFFFAOYSA-N 0 0 248.238 2.228 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCc2cccnc2)nc1 ZINC000023887815 182935759 /nfs/dbraw/zinc/93/57/59/182935759.db2.gz CMLQWVCHCVUXIU-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC3(C2)CCCOC3)cc1 ZINC000377139591 182933607 /nfs/dbraw/zinc/93/36/07/182933607.db2.gz ISFZHHGHFITAGL-UHFFFAOYSA-N 0 0 248.282 2.212 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1OCCCF ZINC000088027781 182933636 /nfs/dbraw/zinc/93/36/36/182933636.db2.gz PIHISHJJKREVOW-UHFFFAOYSA-N 0 0 217.171 2.472 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1OC[C@@H]1CCOC1 ZINC000330925493 182946982 /nfs/dbraw/zinc/94/69/82/182946982.db2.gz UXWYFPCZRBHZAR-MRVPVSSYSA-N 0 0 241.218 2.149 20 5 BEBDRN O=[N+]([O-])c1ccccc1CCNc1ncccn1 ZINC000301471825 182949284 /nfs/dbraw/zinc/94/92/84/182949284.db2.gz UAJOKFJTHJITEN-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CCC2(CCC2)C1 ZINC000131254406 182952467 /nfs/dbraw/zinc/95/24/67/182952467.db2.gz NVSNNXLMBWGCPD-UHFFFAOYSA-N 0 0 233.271 2.370 20 5 BEBDRN O=[N+]([O-])c1ccccc1OCc1ccon1 ZINC000097335958 182952506 /nfs/dbraw/zinc/95/25/06/182952506.db2.gz NRTGUMUKMMFKNH-UHFFFAOYSA-N 0 0 220.184 2.162 20 5 BEBDRN O=[N+]([O-])c1cnc(Oc2ccc(F)cc2)nc1 ZINC000302014620 182959084 /nfs/dbraw/zinc/95/90/84/182959084.db2.gz LEGUQNJEMIFDHJ-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN O=c1c(Cl)cc([N+](=O)[O-])cn1CCCCF ZINC000285170375 182984849 /nfs/dbraw/zinc/98/48/49/182984849.db2.gz NFCBMBZVPPDHLJ-UHFFFAOYSA-N 0 0 248.641 2.160 20 5 BEBDRN O=c1c([N+](=O)[O-])cccn1CC1CCCCC1 ZINC000334359527 182986585 /nfs/dbraw/zinc/98/65/85/182986585.db2.gz WILPSWNHZSWCEU-UHFFFAOYSA-N 0 0 236.271 2.337 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1[C@@H]1C=CCCC1 ZINC000076609234 183001230 /nfs/dbraw/zinc/00/12/30/183001230.db2.gz JYORJNCCXUOTOU-SECBINFHSA-N 0 0 220.228 2.038 20 5 BEBDRN CCCN(C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000121851644 169060506 /nfs/dbraw/zinc/06/05/06/169060506.db2.gz DPUAQFMYUHONSD-UHFFFAOYSA-N 0 0 236.271 2.385 20 5 BEBDRN CCCN(C)c1ccc([N+](=O)[O-])c(C)n1 ZINC000268477981 169088368 /nfs/dbraw/zinc/08/83/68/169088368.db2.gz KPHVJYIOLARRRL-UHFFFAOYSA-N 0 0 209.249 2.144 20 5 BEBDRN CCCN(C)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359093755 169090561 /nfs/dbraw/zinc/09/05/61/169090561.db2.gz HOTWYPXFHDDAHO-UHFFFAOYSA-N 0 0 223.276 2.453 20 5 BEBDRN CCCN(CC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000298343842 169118744 /nfs/dbraw/zinc/11/87/44/169118744.db2.gz JXQVMUQENUKSOT-UHFFFAOYSA-N 0 0 226.232 2.060 20 5 BEBDRN CCCN(CC)c1ncccc1[N+](=O)[O-] ZINC000267064020 169134431 /nfs/dbraw/zinc/13/44/31/169134431.db2.gz HJIFZOPHICLIBH-UHFFFAOYSA-N 0 0 209.249 2.226 20 5 BEBDRN CCCN(CCC)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298857039 169145243 /nfs/dbraw/zinc/14/52/43/169145243.db2.gz ONCWOPFDNZYVJB-UHFFFAOYSA-N 0 0 239.275 2.185 20 5 BEBDRN CCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033676606 169212734 /nfs/dbraw/zinc/21/27/34/169212734.db2.gz GHYKZGICYMRAGB-YVMONPNESA-N 0 0 234.255 2.134 20 5 BEBDRN CCCOC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000035101643 169301640 /nfs/dbraw/zinc/30/16/40/169301640.db2.gz RCKXYTIPKINBNG-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@H]1CCC[C@H]1F ZINC000338822727 383838060 /nfs/dbraw/zinc/83/80/60/383838060.db2.gz CMPRDMTUDJQECC-HTQZYQBOSA-N 0 0 225.223 2.292 20 5 BEBDRN Cc1cccc(Cn2nccc2[N+](=O)[O-])c1 ZINC000334227725 383849021 /nfs/dbraw/zinc/84/90/21/383849021.db2.gz FTIGOWGPKTXERU-UHFFFAOYSA-N 0 0 217.228 2.148 20 5 BEBDRN C[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC1CC1 ZINC000338925591 383865662 /nfs/dbraw/zinc/86/56/62/383865662.db2.gz BCNSDVYPKWUOPS-UHFFFAOYSA-N 0 0 236.271 2.142 20 5 BEBDRN CC[C@@H](Nc1ncc([N+](=O)[O-])s1)[C@@H](O)CC ZINC000313167729 383979554 /nfs/dbraw/zinc/97/95/54/383979554.db2.gz UMPACTUDAIROHA-RQJHMYQMSA-N 0 0 245.304 2.013 20 5 BEBDRN CC/C=C(\C)C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000288842861 383985619 /nfs/dbraw/zinc/98/56/19/383985619.db2.gz ORNPWSXKQKSVLF-WEVVVXLNSA-N 0 0 249.270 2.309 20 5 BEBDRN CO[C@@H](C)CN(C)c1cccc(F)c1[N+](=O)[O-] ZINC000286651046 383997673 /nfs/dbraw/zinc/99/76/73/383997673.db2.gz WKBMRQLTYPLBFT-QMMMGPOBSA-N 0 0 242.250 2.205 20 5 BEBDRN Nc1ccc(OCC2CCC2)cc1[N+](=O)[O-] ZINC000288677486 383941925 /nfs/dbraw/zinc/94/19/25/383941925.db2.gz SLDDPAUBEXBXMK-UHFFFAOYSA-N 0 0 222.244 2.356 20 5 BEBDRN O=[N+]([O-])c1ccc(CNc2ncc(F)cn2)cc1 ZINC000135391899 383959732 /nfs/dbraw/zinc/95/97/32/383959732.db2.gz SJRBZLCUURNUJT-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN O=[N+]([O-])c1ccc(OCC2(O)CCC2)c(F)c1 ZINC000339325153 383960976 /nfs/dbraw/zinc/96/09/76/383960976.db2.gz HTYPYPABHUIBGN-UHFFFAOYSA-N 0 0 241.218 2.028 20 5 BEBDRN CC[C@H](CCO)Nc1c(F)cccc1[N+](=O)[O-] ZINC000310168012 383974472 /nfs/dbraw/zinc/97/44/72/383974472.db2.gz ODDOACQQJCPZPD-MRVPVSSYSA-N 0 0 242.250 2.307 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC12CC2 ZINC000335057744 384014039 /nfs/dbraw/zinc/01/40/39/384014039.db2.gz PQWPUVMFMNQHMK-JTQLQIEISA-N 0 0 247.254 2.269 20 5 BEBDRN CCCC(=O)COc1ccccc1[N+](=O)[O-] ZINC000050185463 384137387 /nfs/dbraw/zinc/13/73/87/384137387.db2.gz VEIFPKGSJDEHLJ-UHFFFAOYSA-N 0 0 223.228 2.343 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1C[C@@H]2CCC[C@H]2C1 ZINC000268261305 384149784 /nfs/dbraw/zinc/14/97/84/384149784.db2.gz RKPBMYLHWHQJKT-UWVGGRQHSA-N 0 0 233.271 2.226 20 5 BEBDRN O=C(CC(F)(F)F)Nc1cccc([N+](=O)[O-])c1 ZINC000043072745 384140964 /nfs/dbraw/zinc/14/09/64/384140964.db2.gz BDFVBONUOQHXPL-UHFFFAOYSA-N 0 0 248.160 2.486 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]2C)c1 ZINC000336231843 384174086 /nfs/dbraw/zinc/17/40/86/384174086.db2.gz BSAZBLCCCPPGGF-GXSJLCMTSA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC[C@@H](F)C2)cc1 ZINC000336222732 384163583 /nfs/dbraw/zinc/16/35/83/384163583.db2.gz GABAJMALYIVIGB-SNVBAGLBSA-N 0 0 224.235 2.139 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2C[C@H]2C)n1 ZINC000309743679 384169170 /nfs/dbraw/zinc/16/91/70/384169170.db2.gz DYIKCNJZBXBKRQ-HZGVNTEJSA-N 0 0 221.260 2.427 20 5 BEBDRN CO[C@@H](C)CN(C)Cc1csc([N+](=O)[O-])c1 ZINC000285648145 384184859 /nfs/dbraw/zinc/18/48/59/384184859.db2.gz LOSCGNLLGVNMCX-QMMMGPOBSA-N 0 0 244.316 2.123 20 5 BEBDRN C[C@H]1OCC[C@@H]1Sc1ccncc1[N+](=O)[O-] ZINC000361076311 384185274 /nfs/dbraw/zinc/18/52/74/384185274.db2.gz XNLLUERZADPWAT-APPZFPTMSA-N 0 0 240.284 2.259 20 5 BEBDRN C[C@@H](O)CCCOc1c(F)cccc1[N+](=O)[O-] ZINC000310488200 384179629 /nfs/dbraw/zinc/17/96/29/384179629.db2.gz GNLZDQCOWZWLRE-MRVPVSSYSA-N 0 0 243.234 2.274 20 5 BEBDRN CC[C@@H](C)N(C)c1c([N+](=O)[O-])nc(C)n1CC ZINC000361062855 384183735 /nfs/dbraw/zinc/18/37/35/384183735.db2.gz NQHFRPVMQRQATO-MRVPVSSYSA-N 0 0 240.307 2.354 20 5 BEBDRN Cc1cc(C(=O)N(C)CC2CC2)ccc1[N+](=O)[O-] ZINC000072251359 384201450 /nfs/dbraw/zinc/20/14/50/384201450.db2.gz ZSXYXZMOSISDPH-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCCC12CCC2 ZINC000336496040 384231902 /nfs/dbraw/zinc/23/19/02/384231902.db2.gz VAKFWKLINKYCBX-UHFFFAOYSA-N 0 0 249.270 2.082 20 5 BEBDRN O=[N+]([O-])c1ccnn1Cc1ccccc1Cl ZINC000336575782 384240031 /nfs/dbraw/zinc/24/00/31/384240031.db2.gz DRGWRYIRMDTJBR-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(CN2CCCC2)c(F)c1 ZINC000286119130 384242675 /nfs/dbraw/zinc/24/26/75/384242675.db2.gz VUYZYVHOTVSEPU-UHFFFAOYSA-N 0 0 242.225 2.469 20 5 BEBDRN Nc1ccc(NCC2CCC2)c([N+](=O)[O-])c1 ZINC000286198913 384251732 /nfs/dbraw/zinc/25/17/32/384251732.db2.gz RISSGVPLHLKONE-UHFFFAOYSA-N 0 0 221.260 2.389 20 5 BEBDRN C[C@@](O)(CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000336704589 384254856 /nfs/dbraw/zinc/25/48/56/384254856.db2.gz KXEDZNFNWFFJEZ-GFCCVEGCSA-N 0 0 236.271 2.168 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCCC[C@H](C)O ZINC000336725425 384256080 /nfs/dbraw/zinc/25/60/80/384256080.db2.gz UYYZMQZIWITVMT-JTQLQIEISA-N 0 0 239.271 2.443 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCc2ccnn2C)c1 ZINC000094659670 384311507 /nfs/dbraw/zinc/31/15/07/384311507.db2.gz QALFIOIJTYOWLE-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN CC[C@@H](O)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000229993966 384343934 /nfs/dbraw/zinc/34/39/34/384343934.db2.gz RCXMGJONKAYFQR-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN CC(C)[C@H](CCO)Nc1ccccc1[N+](=O)[O-] ZINC000229941669 384334355 /nfs/dbraw/zinc/33/43/55/384334355.db2.gz VFQLLWHVTMYVTH-JTQLQIEISA-N 0 0 238.287 2.414 20 5 BEBDRN O=[N+]([O-])c1ccc(CNC2(C(F)F)CC2)cc1 ZINC000337272435 384392984 /nfs/dbraw/zinc/39/29/84/384392984.db2.gz DKNBVWHRVVXYLM-UHFFFAOYSA-N 0 0 242.225 2.482 20 5 BEBDRN CN(Cc1ccccc1[N+](=O)[O-])c1ncccn1 ZINC000046478963 384426436 /nfs/dbraw/zinc/42/64/36/384426436.db2.gz KESOVXNIDIIMRJ-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN Cc1ccn(Cc2ccccc2[N+](=O)[O-])c(=O)c1 ZINC000071857514 384379708 /nfs/dbraw/zinc/37/97/08/384379708.db2.gz OMWSLLCNLMKMMY-UHFFFAOYSA-N 0 0 244.250 2.113 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCOC1 ZINC000070966109 384483226 /nfs/dbraw/zinc/48/32/26/384483226.db2.gz IZCLXQGTEGLWAT-MRVPVSSYSA-N 0 0 242.662 2.449 20 5 BEBDRN C[C@@H]1C[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000043146127 384501324 /nfs/dbraw/zinc/50/13/24/384501324.db2.gz CLUZGQLRJCMQQR-BDAKNGLRSA-N 0 0 249.270 2.372 20 5 BEBDRN O=[N+]([O-])c1cnc(NCc2ccccn2)s1 ZINC000083363120 384503747 /nfs/dbraw/zinc/50/37/47/384503747.db2.gz JEHMRSNJFQWEPS-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN CCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000070262945 384513300 /nfs/dbraw/zinc/51/33/00/384513300.db2.gz HXSCOCVYIVSDAD-UHFFFAOYSA-N 0 0 240.234 2.216 20 5 BEBDRN CC(C)[C@H](CO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000160230383 384666052 /nfs/dbraw/zinc/66/60/52/384666052.db2.gz LNBAZKBWISBKIR-JTQLQIEISA-N 0 0 242.250 2.163 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2C2CC2)nc1 ZINC000309495875 384654369 /nfs/dbraw/zinc/65/43/69/384654369.db2.gz KBYABYGXSTURLP-ZJUUUORDSA-N 0 0 219.244 2.200 20 5 BEBDRN C[C@@H](CNc1ccc([N+](=O)[O-])s1)C[C@H](C)O ZINC000309912287 384704396 /nfs/dbraw/zinc/70/43/96/384704396.db2.gz NJWGFFUROYNPMV-SFYZADRCSA-N 0 0 244.316 2.475 20 5 BEBDRN Cc1nc(N[C@@H]2CC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450473497 384768636 /nfs/dbraw/zinc/76/86/36/384768636.db2.gz ZTZFNACTGAEJEW-VXNVDRBHSA-N 0 0 236.275 2.294 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1OC[C@@H]1CCCO1 ZINC000072555532 384781847 /nfs/dbraw/zinc/78/18/47/384781847.db2.gz NXLMXBQLWSDDFM-VIFPVBQESA-N 0 0 241.218 2.292 20 5 BEBDRN CO[C@@H](C)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000180934391 384844565 /nfs/dbraw/zinc/84/45/65/384844565.db2.gz KTRYIRXGBUJXEM-VIFPVBQESA-N 0 0 225.244 2.317 20 5 BEBDRN C[C@H]1OCC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000147560976 384845202 /nfs/dbraw/zinc/84/52/02/384845202.db2.gz KAUGOULATWXRKI-RKDXNWHRSA-N 0 0 222.244 2.184 20 5 BEBDRN CC[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000175667972 384852175 /nfs/dbraw/zinc/85/21/75/384852175.db2.gz GWENFUUOCJRRLH-SSDOTTSWSA-N 0 0 237.259 2.283 20 5 BEBDRN COC(C)(C)CNc1sccc1[N+](=O)[O-] ZINC000302025661 384953457 /nfs/dbraw/zinc/95/34/57/384953457.db2.gz PZVCUUPRFAFNNI-UHFFFAOYSA-N 0 0 230.289 2.493 20 5 BEBDRN Cc1nn(C)c(NC[C@@H](C)C(C)C)c1[N+](=O)[O-] ZINC000083907074 384917952 /nfs/dbraw/zinc/91/79/52/384917952.db2.gz GFZAAKXRTRTACC-MRVPVSSYSA-N 0 0 240.307 2.341 20 5 BEBDRN O=[N+]([O-])c1cn(Cc2ccc(F)cc2F)cn1 ZINC000084840526 384946176 /nfs/dbraw/zinc/94/61/76/384946176.db2.gz JFTRKKZZPWRENB-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN CO[C@@H](C)CNc1cccc(C)c1[N+](=O)[O-] ZINC000227540612 384970585 /nfs/dbraw/zinc/97/05/85/384970585.db2.gz FFVAQSUZNRTRQF-VIFPVBQESA-N 0 0 224.260 2.350 20 5 BEBDRN CCO[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000381495079 385084066 /nfs/dbraw/zinc/08/40/66/385084066.db2.gz MAPGEANKSRNWJM-QWRGUYRKSA-N 0 0 222.244 2.184 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCOCC(F)F)cc1 ZINC000189155954 385096083 /nfs/dbraw/zinc/09/60/83/385096083.db2.gz FLBGQRLYHONRNU-UHFFFAOYSA-N 0 0 247.197 2.255 20 5 BEBDRN CC[C@@H](CNc1ccc([N+](=O)[O-])c(C)n1)OC ZINC000290763597 385146571 /nfs/dbraw/zinc/14/65/71/385146571.db2.gz UNXQHAPTRPGHDB-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN CO[C@H](Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000282728907 385167140 /nfs/dbraw/zinc/16/71/40/385167140.db2.gz XEBARXGAZITBMP-GFCCVEGCSA-N 0 0 247.254 2.179 20 5 BEBDRN Cc1ocnc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000338640161 385262438 /nfs/dbraw/zinc/26/24/38/385262438.db2.gz CMQSFSHASLGTAJ-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCC2(CO)CC2)cc1 ZINC000395888597 385266885 /nfs/dbraw/zinc/26/68/85/385266885.db2.gz QOEDSUYWPUDLTA-UHFFFAOYSA-N 0 0 236.271 2.169 20 5 BEBDRN C[C@H](CCCO)CNc1ccccc1[N+](=O)[O-] ZINC000294871014 385279848 /nfs/dbraw/zinc/27/98/48/385279848.db2.gz DDYJIRHDUSIZIJ-SNVBAGLBSA-N 0 0 238.287 2.415 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC2=CCCOC2)n1 ZINC000340906893 385287289 /nfs/dbraw/zinc/28/72/89/385287289.db2.gz WTZXQMMYCNEWII-UHFFFAOYSA-N 0 0 249.270 2.057 20 5 BEBDRN Cc1nn(Cc2cncc(C)c2)c(C)c1[N+](=O)[O-] ZINC000189753938 385292133 /nfs/dbraw/zinc/29/21/33/385292133.db2.gz WSAVJMBPQCUPQM-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN CC/C=C\CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000452611214 385341308 /nfs/dbraw/zinc/34/13/08/385341308.db2.gz HDOYAHWHPNHQKJ-UTCJRWHESA-N 0 0 234.255 2.291 20 5 BEBDRN CC/C=C\CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000452617712 385343996 /nfs/dbraw/zinc/34/39/96/385343996.db2.gz XZPGNXDMYHKSIA-ARJAWSKDSA-N 0 0 248.282 2.220 20 5 BEBDRN CC1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000192762466 385369659 /nfs/dbraw/zinc/36/96/59/385369659.db2.gz LMKZRELMWGOARF-UHFFFAOYSA-N 0 0 235.287 2.413 20 5 BEBDRN CC(C)CSCCn1ccc([N+](=O)[O-])n1 ZINC000178457473 385376073 /nfs/dbraw/zinc/37/60/73/385376073.db2.gz WBUCWHIOZIEKOI-UHFFFAOYSA-N 0 0 229.305 2.181 20 5 BEBDRN CC[C@H](CNc1ncc([N+](=O)[O-])cc1C)OC ZINC000290609822 385499472 /nfs/dbraw/zinc/49/94/72/385499472.db2.gz FOWSWCNXGKEPNU-SNVBAGLBSA-N 0 0 239.275 2.135 20 5 BEBDRN CSCCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC000341362838 385504529 /nfs/dbraw/zinc/50/45/29/385504529.db2.gz DKFOHBSTVIFPKZ-UHFFFAOYSA-N 0 0 241.316 2.179 20 5 BEBDRN CC[C@H](CNc1cc(N)ccc1[N+](=O)[O-])OC ZINC000290635403 385506604 /nfs/dbraw/zinc/50/66/04/385506604.db2.gz HNSIXJSWTCSGHJ-SECBINFHSA-N 0 0 239.275 2.014 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCO[C@@H]2C)c1 ZINC000149985095 385535200 /nfs/dbraw/zinc/53/52/00/385535200.db2.gz WTIAKXUAWRKXTG-NXEZZACHSA-N 0 0 236.271 2.493 20 5 BEBDRN C[C@H]1CCCC[C@@H]1Cn1cnc([N+](=O)[O-])n1 ZINC000564345794 385535225 /nfs/dbraw/zinc/53/52/25/385535225.db2.gz DNNQNJQXNOXTJW-DTWKUNHWSA-N 0 0 224.264 2.013 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@@H]1CCCC[C@@H]1O ZINC000052005896 385598261 /nfs/dbraw/zinc/59/82/61/385598261.db2.gz BECJPMWUWIJZJF-PWSUYJOCSA-N 0 0 236.271 2.310 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@H]1CCCC[C@H]1O ZINC000052005903 385598330 /nfs/dbraw/zinc/59/83/30/385598330.db2.gz BECJPMWUWIJZJF-CMPLNLGQSA-N 0 0 236.271 2.310 20 5 BEBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC1CCC1 ZINC000264553451 385600759 /nfs/dbraw/zinc/60/07/59/385600759.db2.gz SECKDLAUIICIKK-RMKNXTFCSA-N 0 0 246.266 2.277 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(Oc2ncccn2)c1 ZINC000340056173 385603037 /nfs/dbraw/zinc/60/30/37/385603037.db2.gz ZFJURMRSJZAHEE-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCCC2)c(Cl)c1 ZINC000265583419 385691635 /nfs/dbraw/zinc/69/16/35/385691635.db2.gz WXWVWNRJRPLAAM-UHFFFAOYSA-N 0 0 227.651 2.243 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CC(C2CCC2)C1 ZINC000343247800 385700150 /nfs/dbraw/zinc/70/01/50/385700150.db2.gz APINWCLOCGKRIJ-UHFFFAOYSA-N 0 0 233.271 2.226 20 5 BEBDRN CSCOc1cc(F)ccc1[N+](=O)[O-] ZINC000292684506 385711134 /nfs/dbraw/zinc/71/11/34/385711134.db2.gz MMFWZZDGSMYNOY-UHFFFAOYSA-N 0 0 217.221 2.433 20 5 BEBDRN CC[C@H](O)CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000292419280 385728887 /nfs/dbraw/zinc/72/88/87/385728887.db2.gz WIGLBVMNYFJRKE-QMMMGPOBSA-N 0 0 242.250 2.225 20 5 BEBDRN CCOCCOc1ccc(OC)c([N+](=O)[O-])c1 ZINC000190184679 385746003 /nfs/dbraw/zinc/74/60/03/385746003.db2.gz IQYMSORVVGMIHD-UHFFFAOYSA-N 0 0 241.243 2.019 20 5 BEBDRN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)CS1 ZINC000397826937 385720434 /nfs/dbraw/zinc/72/04/34/385720434.db2.gz BIBGIJLTRPKKSU-CBAPKCEASA-N 0 0 239.300 2.296 20 5 BEBDRN CC[C@@H](CO)N(C)c1ccc(C)cc1[N+](=O)[O-] ZINC000293580638 385827351 /nfs/dbraw/zinc/82/73/51/385827351.db2.gz AQKFNKLJXLGCKA-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1nc(COc2cc([N+](=O)[O-])ccc2C)no1 ZINC000042180583 385851133 /nfs/dbraw/zinc/85/11/33/385851133.db2.gz OSVZHQJSLOBXGB-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CCCCN(C)c1ncc([N+](=O)[O-])s1 ZINC000190300123 385910112 /nfs/dbraw/zinc/91/01/12/385910112.db2.gz ZGXAMVACXZINAO-UHFFFAOYSA-N 0 0 215.278 2.288 20 5 BEBDRN CC(C)[C@]1(C)C[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000397182946 385927269 /nfs/dbraw/zinc/92/72/69/385927269.db2.gz JZMRSLQILUFIPX-KWQFWETISA-N 0 0 238.291 2.175 20 5 BEBDRN Cc1cc(NC(=O)[C@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000182408364 385866282 /nfs/dbraw/zinc/86/62/82/385866282.db2.gz CYJCWBFLFOZVBW-XCBNKYQSSA-N 0 0 234.255 2.498 20 5 BEBDRN CC[C@H](CO)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218822944 386017629 /nfs/dbraw/zinc/01/76/29/386017629.db2.gz RXKFXDJAUXCTPY-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN CO[C@@H](C)CN(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000286669280 386062861 /nfs/dbraw/zinc/06/28/61/386062861.db2.gz XPKKKOZKIPVUOT-JTQLQIEISA-N 0 0 238.287 2.374 20 5 BEBDRN CN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000087099319 386222437 /nfs/dbraw/zinc/22/24/37/386222437.db2.gz FYCMBPMJRGGVFH-UHFFFAOYSA-N 0 0 248.282 2.148 20 5 BEBDRN Cc1ccc(C)c(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000074061625 386194995 /nfs/dbraw/zinc/19/49/95/386194995.db2.gz PRNQBFRLCFEXQH-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN C[C@@H](CCCO)Nc1ccccc1[N+](=O)[O-] ZINC000087360519 386196607 /nfs/dbraw/zinc/19/66/07/386196607.db2.gz SDQKQQZJASMLSD-VIFPVBQESA-N 0 0 224.260 2.168 20 5 BEBDRN Cc1c(C(=O)N2C[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000294174006 386451858 /nfs/dbraw/zinc/45/18/58/386451858.db2.gz PRVYUBQDKZAOQT-WCBMZHEXSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1cnc(NCCn2cccc2)c([N+](=O)[O-])c1 ZINC000267322772 386467310 /nfs/dbraw/zinc/46/73/10/386467310.db2.gz ZCIIYBVQTOXIPB-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN CO[C@@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000229376789 386460092 /nfs/dbraw/zinc/46/00/92/386460092.db2.gz YPAVBSAEWYGHNH-IUCAKERBSA-N 0 0 224.260 2.430 20 5 BEBDRN C[C@@H]1CCC[C@@H](Cn2cnc([N+](=O)[O-])n2)C1 ZINC000185524039 386576812 /nfs/dbraw/zinc/57/68/12/386576812.db2.gz HMDBODMAIQIIBW-RKDXNWHRSA-N 0 0 224.264 2.013 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC2CC(F)(F)C2)nc1 ZINC000291992760 386543325 /nfs/dbraw/zinc/54/33/25/386543325.db2.gz YAINSDMARCHEMV-UHFFFAOYSA-N 0 0 243.213 2.447 20 5 BEBDRN CC/C=C/CNc1c([N+](=O)[O-])c(C)nn1CC ZINC000294866644 386687220 /nfs/dbraw/zinc/68/72/20/386687220.db2.gz AQSOUFBMFLEWSE-VOTSOKGWSA-N 0 0 238.291 2.498 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]2O)c1 ZINC000268028231 386768269 /nfs/dbraw/zinc/76/82/69/386768269.db2.gz JZIOZYHJAZRJAR-CABZTGNLSA-N 0 0 236.271 2.229 20 5 BEBDRN CO[C@H](C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000266175112 386794816 /nfs/dbraw/zinc/79/48/16/386794816.db2.gz AMVSDZXWRYJBIB-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN COC[C@@H](C)N(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000268146218 386877304 /nfs/dbraw/zinc/87/73/04/386877304.db2.gz QNHMEARXZQQPDW-SNVBAGLBSA-N 0 0 238.287 2.374 20 5 BEBDRN CC[C@H]1CCC[C@@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000268285425 386956266 /nfs/dbraw/zinc/95/62/66/386956266.db2.gz XHBHNEMSOHRBPO-IUCAKERBSA-N 0 0 238.291 2.319 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1Nc1cn[nH]c1 ZINC000341745991 386959360 /nfs/dbraw/zinc/95/93/60/386959360.db2.gz SMZLGZDOAQVQFS-UHFFFAOYSA-N 0 0 222.179 2.201 20 5 BEBDRN CC/C=C/CCn1cc([N+](=O)[O-])ccc1=O ZINC000185147545 387001090 /nfs/dbraw/zinc/00/10/90/387001090.db2.gz NABGVEQDLFWHFT-ONEGZZNKSA-N 0 0 222.244 2.113 20 5 BEBDRN Cc1cnc(Cn2cc([N+](=O)[O-])c(C3CC3)n2)o1 ZINC000185179883 387015233 /nfs/dbraw/zinc/01/52/33/387015233.db2.gz HADQRYDXOZKCSE-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN CO[C@@H](C)CNc1ccc([N+](=O)[O-])cc1F ZINC000224317624 387080596 /nfs/dbraw/zinc/08/05/96/387080596.db2.gz QWEBMMARTHWBIM-ZETCQYMHSA-N 0 0 228.223 2.181 20 5 BEBDRN CC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC000295038850 387102784 /nfs/dbraw/zinc/10/27/84/387102784.db2.gz SNIWZDAFQNDSIG-ONEGZZNKSA-N 0 0 207.233 2.368 20 5 BEBDRN CO[C@@H](C)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000224322333 387125740 /nfs/dbraw/zinc/12/57/40/387125740.db2.gz KIOMKXVNEVRVJS-VIFPVBQESA-N 0 0 224.260 2.350 20 5 BEBDRN CO[C@@H](C)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000224331133 387293710 /nfs/dbraw/zinc/29/37/10/387293710.db2.gz LYXRMSMDMYYSSF-VIFPVBQESA-N 0 0 224.260 2.350 20 5 BEBDRN Cc1c(Cn2cccn2)cccc1[N+](=O)[O-] ZINC000078574284 387296031 /nfs/dbraw/zinc/29/60/31/387296031.db2.gz GHFCVMDHNZHKEE-UHFFFAOYSA-N 0 0 217.228 2.148 20 5 BEBDRN Cc1c(CC(=O)NC2CCC2)cccc1[N+](=O)[O-] ZINC000269678682 387347352 /nfs/dbraw/zinc/34/73/52/387347352.db2.gz HVFCDRNKHMGGJD-UHFFFAOYSA-N 0 0 248.282 2.114 20 5 BEBDRN Cc1ccc(S[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000160988611 387495939 /nfs/dbraw/zinc/49/59/39/387495939.db2.gz XIUJOTRWKSWBCF-QMMMGPOBSA-N 0 0 227.285 2.376 20 5 BEBDRN O=[N+]([O-])c1cnn(CCSCC2CCC2)c1 ZINC000269391825 387510567 /nfs/dbraw/zinc/51/05/67/387510567.db2.gz CVIOITGXZKGSLX-UHFFFAOYSA-N 0 0 241.316 2.325 20 5 BEBDRN Cc1ccc(OCc2cncn2C)cc1[N+](=O)[O-] ZINC000270143918 387516546 /nfs/dbraw/zinc/51/65/46/387516546.db2.gz VLMBMSXHHLDTHT-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN CC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000075505723 387491226 /nfs/dbraw/zinc/49/12/26/387491226.db2.gz YTBUKRILVMROIM-SECBINFHSA-N 0 0 236.271 2.465 20 5 BEBDRN C[C@@H](CCCO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000088758512 387721679 /nfs/dbraw/zinc/72/16/79/387721679.db2.gz AMJOKPVLCJBVDB-QMMMGPOBSA-N 0 0 242.250 2.307 20 5 BEBDRN Cc1nc(N(C)[C@H](C)C(C)C)ncc1[N+](=O)[O-] ZINC000296288258 387785971 /nfs/dbraw/zinc/78/59/71/387785971.db2.gz HPIHWBXJYKWTRE-SECBINFHSA-N 0 0 238.291 2.174 20 5 BEBDRN CN(Cc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC000192904396 387866399 /nfs/dbraw/zinc/86/63/99/387866399.db2.gz LOEWQNPGMBDWCL-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CC[C@@H](O)C2)cc1 ZINC000236551274 387894979 /nfs/dbraw/zinc/89/49/79/387894979.db2.gz UCAPOHMTTOTNEV-JOYOIKCWSA-N 0 0 236.271 2.168 20 5 BEBDRN CCN(CC)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006311400 387952758 /nfs/dbraw/zinc/95/27/58/387952758.db2.gz YJMCDNISMNHWFD-MDZDMXLPSA-N 0 0 248.282 2.476 20 5 BEBDRN CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000045505999 387987076 /nfs/dbraw/zinc/98/70/76/387987076.db2.gz HCVLUNGFTPXCDW-UHFFFAOYSA-N 0 0 240.259 2.306 20 5 BEBDRN CCOC[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000092027069 256582412 /nfs/dbraw/zinc/58/24/12/256582412.db2.gz VMDOGDHGOWMZDB-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN CCN(c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000518853183 256637585 /nfs/dbraw/zinc/63/75/85/256637585.db2.gz LFSCLGSBXWWLAK-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN Cc1cc(NC[C@H](O)C2CC2)c([N+](=O)[O-])s1 ZINC000596111970 388404458 /nfs/dbraw/zinc/40/44/58/388404458.db2.gz FYKDZWRCITZQJY-VIFPVBQESA-N 0 0 242.300 2.148 20 5 BEBDRN CCN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000132200470 388356119 /nfs/dbraw/zinc/35/61/19/388356119.db2.gz VGJOOISXORLLIO-UHFFFAOYSA-N 0 0 237.259 2.387 20 5 BEBDRN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)CO1 ZINC000401879735 388360418 /nfs/dbraw/zinc/36/04/18/388360418.db2.gz NMBAVEXOCOXOHY-SCZZXKLOSA-N 0 0 222.244 2.184 20 5 BEBDRN CO[C@@H](C)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227540694 388366284 /nfs/dbraw/zinc/36/62/84/388366284.db2.gz XMHLPBFMAZWXMH-LURJTMIESA-N 0 0 246.213 2.320 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1OCCC1(O)CC1 ZINC000442848454 388366852 /nfs/dbraw/zinc/36/68/52/388366852.db2.gz FNJNEAAXCNQWOU-UHFFFAOYSA-N 0 0 241.218 2.028 20 5 BEBDRN CCCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000089767516 388367117 /nfs/dbraw/zinc/36/71/17/388367117.db2.gz SNCNFKBVDWQSMB-UHFFFAOYSA-N 0 0 236.271 2.054 20 5 BEBDRN O=c1cc(CNc2ccccc2[N+](=O)[O-])cc[nH]1 ZINC000353054450 388367822 /nfs/dbraw/zinc/36/78/22/388367822.db2.gz PZEYAVKSWCHOKK-UHFFFAOYSA-N 0 0 245.238 2.308 20 5 BEBDRN CCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000353288340 388369397 /nfs/dbraw/zinc/36/93/97/388369397.db2.gz KJNVDELOHZDNPK-UHFFFAOYSA-N 0 0 239.275 2.231 20 5 BEBDRN Cc1c(OCc2ccn(C)n2)cccc1[N+](=O)[O-] ZINC000270997203 388369691 /nfs/dbraw/zinc/36/96/91/388369691.db2.gz HBNJJOYVUQPIDC-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN CCN(C(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000193544600 388370446 /nfs/dbraw/zinc/37/04/46/388370446.db2.gz KFBSDQLDZLYYFD-UHFFFAOYSA-N 0 0 236.271 2.465 20 5 BEBDRN CCOCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227888411 388373096 /nfs/dbraw/zinc/37/30/96/388373096.db2.gz IDWQUOBNUBRZIQ-UHFFFAOYSA-N 0 0 246.213 2.321 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC2(CO)CCC2)c1 ZINC000133020666 388375400 /nfs/dbraw/zinc/37/54/00/388375400.db2.gz ZLWQCUAVXUAIAP-UHFFFAOYSA-N 0 0 236.271 2.230 20 5 BEBDRN C[C@H](O)CCCNc1ccccc1[N+](=O)[O-] ZINC000227996014 388375589 /nfs/dbraw/zinc/37/55/89/388375589.db2.gz ATGGWLDRAKLUQW-VIFPVBQESA-N 0 0 224.260 2.168 20 5 BEBDRN Cc1cccc(OCc2ccn(C)n2)c1[N+](=O)[O-] ZINC000271304538 388381465 /nfs/dbraw/zinc/38/14/65/388381465.db2.gz JIWCDZBDIIVXNQ-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCCCCO)c(F)c1 ZINC000228724305 388387810 /nfs/dbraw/zinc/38/78/10/388387810.db2.gz ZLAUBZKPLZJHMK-UHFFFAOYSA-N 0 0 242.250 2.308 20 5 BEBDRN CCCCCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000271613793 388394797 /nfs/dbraw/zinc/39/47/97/388394797.db2.gz CTCPDUOEFNAQOE-UHFFFAOYSA-N 0 0 242.304 2.249 20 5 BEBDRN O=[N+]([O-])c1cccc(OCc2ccon2)c1 ZINC000357698495 388395309 /nfs/dbraw/zinc/39/53/09/388395309.db2.gz YWUVKTMMZLRLJB-UHFFFAOYSA-N 0 0 220.184 2.162 20 5 BEBDRN C[C@H](O)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000194945854 388457586 /nfs/dbraw/zinc/45/75/86/388457586.db2.gz JOENUFLDROUHMY-LURJTMIESA-N 0 0 231.635 2.008 20 5 BEBDRN CO[C@H]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000193850864 388467271 /nfs/dbraw/zinc/46/72/71/388467271.db2.gz AQBGPGLBCJQGPZ-BQBZGAKWSA-N 0 0 243.288 2.031 20 5 BEBDRN C[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])[C@H]1C ZINC000596246999 388410648 /nfs/dbraw/zinc/41/06/48/388410648.db2.gz HDKOPGWKMYZFDU-BQBZGAKWSA-N 0 0 241.678 2.488 20 5 BEBDRN CCc1cc(CNc2ccc([N+](=O)[O-])cn2)on1 ZINC000301326484 388579935 /nfs/dbraw/zinc/57/99/35/388579935.db2.gz BEAFDXNWIVLGCO-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN O=C(CC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000298338110 388579995 /nfs/dbraw/zinc/57/99/95/388579995.db2.gz JEOJROGOJFNGPI-UHFFFAOYSA-N 0 0 220.228 2.333 20 5 BEBDRN CC(C)(C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000113709577 388677630 /nfs/dbraw/zinc/67/76/30/388677630.db2.gz DCDQQFTXHSLSFV-UHFFFAOYSA-N 0 0 240.234 2.262 20 5 BEBDRN Cc1ccc(Nc2cn[nH]c2)c([N+](=O)[O-])c1 ZINC000301834488 388682464 /nfs/dbraw/zinc/68/24/64/388682464.db2.gz VUWDXHLHGJIYRP-UHFFFAOYSA-N 0 0 218.216 2.370 20 5 BEBDRN CC[C@H](O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000123653621 388733961 /nfs/dbraw/zinc/73/39/61/388733961.db2.gz VKGXRFVKKWHMNO-QMMMGPOBSA-N 0 0 243.234 2.192 20 5 BEBDRN O=[N+]([O-])c1ccc(COCc2ncc[nH]2)cc1 ZINC000123717327 388734922 /nfs/dbraw/zinc/73/49/22/388734922.db2.gz PDUYQHVJZKRQPQ-UHFFFAOYSA-N 0 0 233.227 2.035 20 5 BEBDRN Cc1c(OCCC(C)(C)O)cccc1[N+](=O)[O-] ZINC000092800638 388737151 /nfs/dbraw/zinc/73/71/51/388737151.db2.gz ZWQZXRABZFEYOI-UHFFFAOYSA-N 0 0 239.271 2.443 20 5 BEBDRN CC(=O)[C@@H](C)CSc1ccc([N+](=O)[O-])cn1 ZINC000448109216 388739365 /nfs/dbraw/zinc/73/93/65/388739365.db2.gz UEJGHJRCPSNUHR-ZETCQYMHSA-N 0 0 240.284 2.307 20 5 BEBDRN CN(CC1CC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277375860 388746451 /nfs/dbraw/zinc/74/64/51/388746451.db2.gz CICFFQJWKMMNFJ-UHFFFAOYSA-N 0 0 246.270 2.317 20 5 BEBDRN CO[C@H](COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000424077349 388694312 /nfs/dbraw/zinc/69/43/12/388694312.db2.gz BKXILTDVGXQCAN-GFCCVEGCSA-N 0 0 237.255 2.399 20 5 BEBDRN CO[C@@H](COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000424086244 388694413 /nfs/dbraw/zinc/69/44/13/388694413.db2.gz QFLVLOGCVNEGQS-LBPRGKRZSA-N 0 0 237.255 2.399 20 5 BEBDRN Cc1cc(C(=O)N2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000299684790 388697153 /nfs/dbraw/zinc/69/71/53/388697153.db2.gz UPKGZDLNINRLIH-VIFPVBQESA-N 0 0 248.282 2.385 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC23CCC(CC2)C3)nc1 ZINC000373389341 388709849 /nfs/dbraw/zinc/70/98/49/388709849.db2.gz BPFYZSOVFNJCQA-UHFFFAOYSA-N 0 0 248.286 2.377 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCCCOC(F)F ZINC000193613748 388710364 /nfs/dbraw/zinc/71/03/64/388710364.db2.gz DYKMCNPZTIUTDF-UHFFFAOYSA-N 0 0 247.201 2.031 20 5 BEBDRN CC[C@H](CCO)Nc1ccc([N+](=O)[O-])cc1C ZINC000080647686 388712717 /nfs/dbraw/zinc/71/27/17/388712717.db2.gz GGTACTDHUPBYOG-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN CCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088230890 388722936 /nfs/dbraw/zinc/72/29/36/388722936.db2.gz IKMGIHRGQRODQS-UHFFFAOYSA-N 0 0 248.282 2.280 20 5 BEBDRN Cc1nccn1Cc1cccc([N+](=O)[O-])c1C ZINC000070164328 388728117 /nfs/dbraw/zinc/72/81/17/388728117.db2.gz LEKBMWFCKRVXFO-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN C[C@@H]1C[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000282238398 388813596 /nfs/dbraw/zinc/81/35/96/388813596.db2.gz PVZYQPWSWFULLA-SFYZADRCSA-N 0 0 221.260 2.245 20 5 BEBDRN O=[N+]([O-])c1cccc(OC[C@@H]2CCOC2)c1 ZINC000330802660 388761849 /nfs/dbraw/zinc/76/18/49/388761849.db2.gz JVVDAQDXUYLNLQ-SECBINFHSA-N 0 0 223.228 2.010 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1OC[C@H]1CCOC1 ZINC000330925494 388763807 /nfs/dbraw/zinc/76/38/07/388763807.db2.gz UXWYFPCZRBHZAR-QMMMGPOBSA-N 0 0 241.218 2.149 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1Cc1ccc(C)nc1C ZINC000331088387 388764211 /nfs/dbraw/zinc/76/42/11/388764211.db2.gz RURVMWLCDJVWDH-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000156046171 388785679 /nfs/dbraw/zinc/78/56/79/388785679.db2.gz XKNGMMKZFNFULO-UHFFFAOYSA-N 0 0 237.259 2.387 20 5 BEBDRN Cc1c(OCC(=O)C(F)F)cccc1[N+](=O)[O-] ZINC000282501914 388817261 /nfs/dbraw/zinc/81/72/61/388817261.db2.gz JSMDISLUBIMNOL-UHFFFAOYSA-N 0 0 245.181 2.116 20 5 BEBDRN CN(C[C@@H]1CC=CCC1)c1ncc([N+](=O)[O-])cn1 ZINC000302227853 388828361 /nfs/dbraw/zinc/82/83/61/388828361.db2.gz QNVPPZRTBFPQME-SNVBAGLBSA-N 0 0 248.286 2.177 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2c[nH]cn2)c(F)c1 ZINC000555906943 388834707 /nfs/dbraw/zinc/83/47/07/388834707.db2.gz XSFFSWSNCFFLOF-UHFFFAOYSA-N 0 0 222.179 2.201 20 5 BEBDRN O=[N+]([O-])c1cnc(Oc2cccc(F)c2)nc1 ZINC000302027920 388836270 /nfs/dbraw/zinc/83/62/70/388836270.db2.gz QYAZYDKLHYHPKJ-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN Cc1nnc([C@H](C)Oc2ccc([N+](=O)[O-])cc2)o1 ZINC000299523579 388838813 /nfs/dbraw/zinc/83/88/13/388838813.db2.gz LSJLFYSMFZZRIU-ZETCQYMHSA-N 0 0 249.226 2.426 20 5 BEBDRN CCCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000299649795 388842349 /nfs/dbraw/zinc/84/23/49/388842349.db2.gz OLSCBYDNQTUYLI-UHFFFAOYSA-N 0 0 236.271 2.433 20 5 BEBDRN C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000161832338 388843074 /nfs/dbraw/zinc/84/30/74/388843074.db2.gz KIPKFRNIBWLBNB-HTQZYQBOSA-N 0 0 238.243 2.201 20 5 BEBDRN Cc1cc(N2CC=C(C)CC2)ncc1[N+](=O)[O-] ZINC000270205726 132196314 /nfs/dbraw/zinc/19/63/14/132196314.db2.gz RBHABDVSRLGNCG-UHFFFAOYSA-N 0 0 233.271 2.455 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC=C(F)C1 ZINC000272474480 132200738 /nfs/dbraw/zinc/20/07/38/132200738.db2.gz IPIMATKFKALIJJ-UHFFFAOYSA-N 0 0 237.234 2.362 20 5 BEBDRN CC[C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273129578 132201551 /nfs/dbraw/zinc/20/15/51/132201551.db2.gz BGYCJKCWYHSAGW-SECBINFHSA-N 0 0 236.275 2.011 20 5 BEBDRN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000273568511 132202022 /nfs/dbraw/zinc/20/20/22/132202022.db2.gz CXZOUDRBLRFJQF-BDAKNGLRSA-N 0 0 236.275 2.010 20 5 BEBDRN COCC1=CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000274666221 132203646 /nfs/dbraw/zinc/20/36/46/132203646.db2.gz WTPSGKGBDOARGE-UHFFFAOYSA-N 0 0 248.282 2.378 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCCCO2)c(Cl)c1 ZINC000276015688 132205920 /nfs/dbraw/zinc/20/59/20/132205920.db2.gz JNRWFOAGKOGUDD-UHFFFAOYSA-N 0 0 243.650 2.175 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCC(=O)[C@H](C)C2)c1 ZINC000278526501 132207947 /nfs/dbraw/zinc/20/79/47/132207947.db2.gz ZMNVNYFOGLEEGL-SNVBAGLBSA-N 0 0 248.282 2.319 20 5 BEBDRN Cc1cnc(N2CCC=C(C)C2)c([N+](=O)[O-])c1 ZINC000280516830 132210503 /nfs/dbraw/zinc/21/05/03/132210503.db2.gz DNTYHMKSYLBSJO-UHFFFAOYSA-N 0 0 233.271 2.455 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCC=C(C)C2)n1 ZINC000280809673 132210965 /nfs/dbraw/zinc/21/09/65/132210965.db2.gz SXSPAMGWBXAUFV-UHFFFAOYSA-N 0 0 233.271 2.455 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CCCCO1 ZINC000302704609 132265770 /nfs/dbraw/zinc/26/57/70/132265770.db2.gz YBLRUYGSNFQVJJ-UHFFFAOYSA-N 0 0 243.650 2.175 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCCCC2)n1 ZINC000039150053 132346703 /nfs/dbraw/zinc/34/67/03/132346703.db2.gz ZKWFUTKAAQAUFY-UHFFFAOYSA-N 0 0 221.260 2.289 20 5 BEBDRN O=C(C1CC1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000040630972 132348298 /nfs/dbraw/zinc/34/82/98/132348298.db2.gz QVLMLNQHGMKFFD-UHFFFAOYSA-N 0 0 246.266 2.284 20 5 BEBDRN O=[N+]([O-])c1cccc(CNc2nncs2)c1 ZINC000069966723 133538522 /nfs/dbraw/zinc/53/85/22/133538522.db2.gz XSALHUXWIGVXPH-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN O=C(C1=CCC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000335972873 134030329 /nfs/dbraw/zinc/03/03/29/134030329.db2.gz PETYZGQXQBNCMV-UHFFFAOYSA-N 0 0 244.250 2.204 20 5 BEBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1(C)CC1 ZINC000177851600 134303409 /nfs/dbraw/zinc/30/34/09/134303409.db2.gz YDCSVHLOSSDIKF-UHFFFAOYSA-N 0 0 248.282 2.353 20 5 BEBDRN O=[N+]([O-])c1ccc(OCc2ncccn2)c(F)c1 ZINC000187889910 134474017 /nfs/dbraw/zinc/47/40/17/134474017.db2.gz KSCSFRRCGCDGFY-UHFFFAOYSA-N 0 0 249.201 2.103 20 5 BEBDRN C[C@@H]1C[C@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000408219385 134513555 /nfs/dbraw/zinc/51/35/55/134513555.db2.gz MVRXSBMXNQAIOZ-DTWKUNHWSA-N 0 0 221.260 2.225 20 5 BEBDRN CCOC(C)(C)CNc1ccc([N+](=O)[O-])nc1 ZINC000159518891 134778940 /nfs/dbraw/zinc/77/89/40/134778940.db2.gz PEYGDZHIHZGVKH-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN O=[N+]([O-])c1cnccc1NCc1ccoc1 ZINC000066810566 134890027 /nfs/dbraw/zinc/89/00/27/134890027.db2.gz MELLQDWTYJPXQR-UHFFFAOYSA-N 0 0 219.200 2.195 20 5 BEBDRN COC(C)(C)CNc1ccc([N+](=O)[O-])cc1 ZINC000078471640 135125714 /nfs/dbraw/zinc/12/57/14/135125714.db2.gz VXALITGVDYEPAV-UHFFFAOYSA-N 0 0 224.260 2.432 20 5 BEBDRN C[C@H]1CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000334381273 135379288 /nfs/dbraw/zinc/37/92/88/135379288.db2.gz JHTSJMJVZXNQNC-BQBZGAKWSA-N 0 0 240.284 2.185 20 5 BEBDRN O=[N+]([O-])c1ccc(OCC2(O)CCCC2)cc1 ZINC000087464066 135507792 /nfs/dbraw/zinc/50/77/92/135507792.db2.gz SPMIUCXXZWWUQK-UHFFFAOYSA-N 0 0 237.255 2.279 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]2C(F)F)cn1 ZINC000348217210 136046519 /nfs/dbraw/zinc/04/65/19/136046519.db2.gz JFVCVSBZIPVYPA-NKWVEPMBSA-N 0 0 229.186 2.055 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2C[C@@H]2C(F)F)s1 ZINC000348231254 136060672 /nfs/dbraw/zinc/06/06/72/136060672.db2.gz YVEZGXQTCSYAOL-IMJSIDKUSA-N 0 0 235.215 2.117 20 5 BEBDRN C[C@H]1CC[C@@H](n2cc([N+](=O)[O-])cc(F)c2=O)C1 ZINC000335357969 136075069 /nfs/dbraw/zinc/07/50/69/136075069.db2.gz GVKCIPORTYMWIP-JGVFFNPUSA-N 0 0 240.234 2.257 20 5 BEBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000335370116 136083007 /nfs/dbraw/zinc/08/30/07/136083007.db2.gz GWTRTIFZCOQUDD-UHFFFAOYSA-N 0 0 249.201 2.314 20 5 BEBDRN CCC1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000335572062 136109720 /nfs/dbraw/zinc/10/97/20/136109720.db2.gz WVAOXLWJDYRTFK-UHFFFAOYSA-N 0 0 234.255 2.077 20 5 BEBDRN CO[C@H](C)[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000290627333 397856006 /nfs/dbraw/zinc/85/60/06/397856006.db2.gz GTGZFZIBVBLEJT-RKDXNWHRSA-N 0 0 239.275 2.134 20 5 BEBDRN Cc1ccc(N2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC001651530643 1172957483 /nfs/dbraw/zinc/95/74/83/1172957483.db2.gz MMYMVCMTFROVBO-UHFFFAOYSA-N 0 0 228.198 2.359 20 5 BEBDRN CC(C)[C@H](O)COc1ccsc1[N+](=O)[O-] ZINC001651991620 1173021344 /nfs/dbraw/zinc/02/13/44/1173021344.db2.gz ZXDXFIXRKZKSMW-SSDOTTSWSA-N 0 0 231.273 2.052 20 5 BEBDRN O=[N+]([O-])c1sccc1OCc1ccon1 ZINC001651988938 1173021919 /nfs/dbraw/zinc/02/19/19/1173021919.db2.gz LXGNRRYJFVDULI-UHFFFAOYSA-N 0 0 226.213 2.223 20 5 BEBDRN CCN(CC)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000074344318 169759838 /nfs/dbraw/zinc/75/98/38/169759838.db2.gz BSUOMVIEFNFQJJ-UHFFFAOYSA-N 0 0 242.300 2.447 20 5 BEBDRN CC(C)(C)CNc1ccc([N+](=O)[O-])nc1 ZINC000048805787 166591589 /nfs/dbraw/zinc/59/15/89/166591589.db2.gz GDYVSBAENLQQHK-UHFFFAOYSA-N 0 0 209.249 2.448 20 5 BEBDRN CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037285932 166626170 /nfs/dbraw/zinc/62/61/70/166626170.db2.gz LIGIDBQXEJTOII-UHFFFAOYSA-N 0 0 240.234 2.262 20 5 BEBDRN CC(C)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000082563288 166702813 /nfs/dbraw/zinc/70/28/13/166702813.db2.gz OBNUOLHJIAOJCA-UHFFFAOYSA-N 0 0 223.228 2.199 20 5 BEBDRN CC(C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000033551367 167036985 /nfs/dbraw/zinc/03/69/85/167036985.db2.gz OTSRMLIWNZGUET-FPLPWBNLSA-N 0 0 234.255 2.133 20 5 BEBDRN CC(C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227647424 167149877 /nfs/dbraw/zinc/14/98/77/167149877.db2.gz RPHCBTMLOJAVJP-UHFFFAOYSA-N 0 0 215.640 2.464 20 5 BEBDRN CC(C)OC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000337060520 167161876 /nfs/dbraw/zinc/16/18/76/167161876.db2.gz GLCWFZSTVFWTGT-UHFFFAOYSA-N 0 0 241.218 2.228 20 5 BEBDRN CC(C)OCCCOc1cccnc1[N+](=O)[O-] ZINC000125972413 167225531 /nfs/dbraw/zinc/22/55/31/167225531.db2.gz UMDJJRLDKMNSNY-UHFFFAOYSA-N 0 0 240.259 2.184 20 5 BEBDRN CC(C)[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330510141 167366506 /nfs/dbraw/zinc/36/65/06/167366506.db2.gz AWVVMKYQIUTXHA-MRVPVSSYSA-N 0 0 239.275 2.039 20 5 BEBDRN CC(C)[C@@H](O)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000134963501 167458565 /nfs/dbraw/zinc/45/85/65/167458565.db2.gz JOKBICJSOCRFOK-NSHDSACASA-N 0 0 242.250 2.163 20 5 BEBDRN CC(F)(F)CCNc1ccc([N+](=O)[O-])nc1 ZINC000357763058 167816172 /nfs/dbraw/zinc/81/61/72/167816172.db2.gz OUIUDCUKYVXRFQ-UHFFFAOYSA-N 0 0 231.202 2.447 20 5 BEBDRN CC/C(C)=C/C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000298819380 167820977 /nfs/dbraw/zinc/82/09/77/167820977.db2.gz YJSZFFPKQHCSHP-VQHVLOKHSA-N 0 0 249.270 2.309 20 5 BEBDRN CC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000173682896 167919927 /nfs/dbraw/zinc/91/99/27/167919927.db2.gz XBGNOFDKJQEGGO-UHFFFAOYSA-N 0 0 238.243 2.060 20 5 BEBDRN CC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000125797043 168057137 /nfs/dbraw/zinc/05/71/37/168057137.db2.gz SKDPFLKASFHUNI-UHFFFAOYSA-N 0 0 248.282 2.196 20 5 BEBDRN CC1(Nc2ncc([N+](=O)[O-])cn2)CCCC1 ZINC000042187555 168065992 /nfs/dbraw/zinc/06/59/92/168065992.db2.gz ATPDOVRXKYDOBT-UHFFFAOYSA-N 0 0 222.248 2.129 20 5 BEBDRN CC1=CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000280590981 168097665 /nfs/dbraw/zinc/09/76/65/168097665.db2.gz BIOJAFURZPQXPS-UHFFFAOYSA-N 0 0 246.266 2.387 20 5 BEBDRN CCC(C)(C)CNc1ncc([N+](=O)[O-])cn1 ZINC000233043850 168281813 /nfs/dbraw/zinc/28/18/13/168281813.db2.gz UDHFIPZYDIUVOC-UHFFFAOYSA-N 0 0 224.264 2.233 20 5 BEBDRN CCNc1cc(OC)c([N+](=O)[O-])cc1F ZINC000230354823 170173009 /nfs/dbraw/zinc/17/30/09/170173009.db2.gz JHVSOKJMGULJRQ-UHFFFAOYSA-N 0 0 214.196 2.174 20 5 BEBDRN CCNc1ncc([N+](=O)[O-])cc1Br ZINC000081940874 170178417 /nfs/dbraw/zinc/17/84/17/170178417.db2.gz WELLEUOUDWXBIC-UHFFFAOYSA-N 0 0 246.064 2.184 20 5 BEBDRN CCOCCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000090691982 170384164 /nfs/dbraw/zinc/38/41/64/170384164.db2.gz GFXLEHVUQBNUPE-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN CCOCCNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000104230738 170415431 /nfs/dbraw/zinc/41/54/31/170415431.db2.gz FYLQQZATJHRDPD-UHFFFAOYSA-N 0 0 240.259 2.052 20 5 BEBDRN CC[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])OC ZINC000290629471 170830682 /nfs/dbraw/zinc/83/06/82/170830682.db2.gz HAAAFCBGAKELCF-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN CC[C@@H](O)COc1cccc([N+](=O)[O-])c1C ZINC000037694775 170936886 /nfs/dbraw/zinc/93/68/86/170936886.db2.gz HYKNZHWRIQSKQR-SECBINFHSA-N 0 0 225.244 2.053 20 5 BEBDRN CC[C@@H]1CC[C@H](C)N1c1c([N+](=O)[O-])ncn1C ZINC000271437940 171053951 /nfs/dbraw/zinc/05/39/51/171053951.db2.gz NYRVXPRGIDIMMV-DTWKUNHWSA-N 0 0 238.291 2.096 20 5 BEBDRN CC[C@@H]1C[C@H]1Nc1c([N+](=O)[O-])c(C)nn1CC ZINC000233911978 171142437 /nfs/dbraw/zinc/14/24/37/171142437.db2.gz GNYJGVHAISXGAL-RKDXNWHRSA-N 0 0 238.291 2.330 20 5 BEBDRN CC[C@H](C)Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000128659826 171301023 /nfs/dbraw/zinc/30/10/23/171301023.db2.gz JVMZVHYPOVHFGR-QMMMGPOBSA-N 0 0 224.260 2.111 20 5 BEBDRN CC[C@H](C)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC000004243322 171350836 /nfs/dbraw/zinc/35/08/36/171350836.db2.gz RXCBAOPNEFTESD-YFKPBYRVSA-N 0 0 230.655 2.249 20 5 BEBDRN CC[C@H](CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000034342878 171454140 /nfs/dbraw/zinc/45/41/40/171454140.db2.gz UBUAUPOMEXLEGO-MRVPVSSYSA-N 0 0 244.678 2.431 20 5 BEBDRN CC[C@H](O)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000127240427 171561896 /nfs/dbraw/zinc/56/18/96/171561896.db2.gz OBMFFKUMGMQDPP-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@H](O)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000229994267 171577870 /nfs/dbraw/zinc/57/78/70/171577870.db2.gz BECHCAILHACALI-QMMMGPOBSA-N 0 0 244.678 2.431 20 5 BEBDRN CCc1nn(C)c(NC2CC=CC2)c1[N+](=O)[O-] ZINC000091740909 172039044 /nfs/dbraw/zinc/03/90/44/172039044.db2.gz QFWAQZOCPNRTIS-UHFFFAOYSA-N 0 0 236.275 2.021 20 5 BEBDRN CCc1noc(-c2ccccc2[N+](=O)[O-])n1 ZINC000355548743 172071958 /nfs/dbraw/zinc/07/19/58/172071958.db2.gz UOORJYWYDFMATE-UHFFFAOYSA-N 0 0 219.200 2.207 20 5 BEBDRN CCc1noc(-c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000264649270 172072214 /nfs/dbraw/zinc/07/22/14/172072214.db2.gz RXBBNYXABCZMJL-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN CCc1noc(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000266552203 172085103 /nfs/dbraw/zinc/08/51/03/172085103.db2.gz IKRFPWHBDDFHPP-UHFFFAOYSA-N 0 0 233.227 2.131 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NC1(C)CCC1 ZINC000288319442 172136776 /nfs/dbraw/zinc/13/67/76/172136776.db2.gz DAVKRDAFELFIOU-UHFFFAOYSA-N 0 0 238.291 2.474 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1C[C@@H]1C ZINC000288274685 172136911 /nfs/dbraw/zinc/13/69/11/172136911.db2.gz ZNSOGWFKIVSDKC-CBAPKCEASA-N 0 0 238.291 2.188 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1C ZINC000288850527 172137176 /nfs/dbraw/zinc/13/71/76/172137176.db2.gz KKQFJSNEDMPXCY-QMMMGPOBSA-N 0 0 238.291 2.108 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C1CC1 ZINC000288107285 172138004 /nfs/dbraw/zinc/13/80/04/172138004.db2.gz KKOAMNZMDDHDGT-SSDOTTSWSA-N 0 0 238.291 2.330 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NCC=C(C)C ZINC000192908601 172248246 /nfs/dbraw/zinc/24/82/46/172248246.db2.gz XVEHNYUCVDIZRD-UHFFFAOYSA-N 0 0 238.291 2.498 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NCC[C@@H](C)F ZINC000338748028 172248568 /nfs/dbraw/zinc/24/85/68/172248568.db2.gz AJEASSVAWRPCTQ-SSDOTTSWSA-N 0 0 244.270 2.280 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H]1C ZINC000192637821 172249033 /nfs/dbraw/zinc/24/90/33/172249033.db2.gz IJMXQNVUPTUGFB-QMMMGPOBSA-N 0 0 238.291 2.108 20 5 BEBDRN CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000172699074 172341163 /nfs/dbraw/zinc/34/11/63/172341163.db2.gz AWORABLLPOHEHH-UHFFFAOYSA-N 0 0 234.255 2.219 20 5 BEBDRN CN(C[Si](C)(C)C)c1ccc([N+](=O)[O-])cn1 ZINC001652253028 1173050554 /nfs/dbraw/zinc/05/05/54/1173050554.db2.gz UWAJXILPYNXWDH-UHFFFAOYSA-N 0 0 239.351 2.303 20 5 BEBDRN CN(CC1CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000047904946 172647928 /nfs/dbraw/zinc/64/79/28/172647928.db2.gz QADFRKROKSQMSF-UHFFFAOYSA-N 0 0 248.282 2.006 20 5 BEBDRN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C1CC1 ZINC000289051049 172784473 /nfs/dbraw/zinc/78/44/73/172784473.db2.gz MYTCVITZQMGNMB-UHFFFAOYSA-N 0 0 248.282 2.006 20 5 BEBDRN CN(C[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000301569841 172835277 /nfs/dbraw/zinc/83/52/77/172835277.db2.gz KPMCWFUHTUANNB-SNVBAGLBSA-N 0 0 236.271 2.068 20 5 BEBDRN CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234507938 173472924 /nfs/dbraw/zinc/47/29/24/173472924.db2.gz NPXQSMQUFRTSBA-UHFFFAOYSA-N 0 0 221.138 2.050 20 5 BEBDRN COCCCCNc1ccc([N+](=O)[O-])cc1 ZINC000044348992 174204689 /nfs/dbraw/zinc/20/46/89/174204689.db2.gz LLVZFKRQMKWZLY-UHFFFAOYSA-N 0 0 224.260 2.433 20 5 BEBDRN COCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000037362197 174342125 /nfs/dbraw/zinc/34/21/25/174342125.db2.gz JNXRTGFJEDDETC-UHFFFAOYSA-N 0 0 247.254 2.201 20 5 BEBDRN COCCSc1cccc([N+](=O)[O-])c1 ZINC000337736329 174377458 /nfs/dbraw/zinc/37/74/58/174377458.db2.gz AJYFBDUWIBRBLN-UHFFFAOYSA-N 0 0 213.258 2.333 20 5 BEBDRN COC[C@H](C)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000086454037 174554292 /nfs/dbraw/zinc/55/42/92/174554292.db2.gz COAAYGCTSUBPNF-ZETCQYMHSA-N 0 0 229.207 2.148 20 5 BEBDRN CO[C@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000229376778 174845775 /nfs/dbraw/zinc/84/57/75/174845775.db2.gz YPAVBSAEWYGHNH-RKDXNWHRSA-N 0 0 224.260 2.430 20 5 BEBDRN COc1cc(NC[C@H](C)OC)ccc1[N+](=O)[O-] ZINC000224316123 175002279 /nfs/dbraw/zinc/00/22/79/175002279.db2.gz ZPUZAJPUOBKZEK-QMMMGPOBSA-N 0 0 240.259 2.050 20 5 BEBDRN COc1cc(OCC2CC2)ccc1[N+](=O)[O-] ZINC000279835890 175012143 /nfs/dbraw/zinc/01/21/43/175012143.db2.gz CJSZWPVIZFEUCT-UHFFFAOYSA-N 0 0 223.228 2.392 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1OC1CC1 ZINC000095729143 175017921 /nfs/dbraw/zinc/01/79/21/175017921.db2.gz SMBCUBFKKPXTHS-UHFFFAOYSA-N 0 0 209.201 2.145 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1NCC1CC1 ZINC000037058367 175200950 /nfs/dbraw/zinc/20/09/50/175200950.db2.gz BAOQAOHAPYJHRQ-UHFFFAOYSA-N 0 0 222.244 2.425 20 5 BEBDRN COc1ccccc1Cn1cc(C)c([N+](=O)[O-])n1 ZINC000282383614 175334991 /nfs/dbraw/zinc/33/49/91/175334991.db2.gz ZDGRWEQHWJDHIT-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN CSCC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000182413875 175461918 /nfs/dbraw/zinc/46/19/18/175461918.db2.gz XFTAGDZWZVMFBJ-UHFFFAOYSA-N 0 0 240.284 2.205 20 5 BEBDRN CSCCCOc1ncc(C)cc1[N+](=O)[O-] ZINC000176705848 175489853 /nfs/dbraw/zinc/48/98/53/175489853.db2.gz CRNIWRZGUIMWQH-UHFFFAOYSA-N 0 0 242.300 2.430 20 5 BEBDRN CS[C@@H](C)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000128834175 175545963 /nfs/dbraw/zinc/54/59/63/175545963.db2.gz IMBOIKMTIICOOC-ZETCQYMHSA-N 0 0 241.316 2.462 20 5 BEBDRN C[C@@H](CO)N(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000158983854 175750446 /nfs/dbraw/zinc/75/04/46/175750446.db2.gz INYUFVPVKICMDW-ZETCQYMHSA-N 0 0 244.678 2.065 20 5 BEBDRN C[C@@H](CO)[C@@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000287312403 175761374 /nfs/dbraw/zinc/76/13/74/175761374.db2.gz NHKAKJZIWDFXRN-JGVFFNPUSA-N 0 0 242.250 2.163 20 5 BEBDRN C[C@@H]1CCCN1c1ccc(N)cc1[N+](=O)[O-] ZINC000288382211 176111950 /nfs/dbraw/zinc/11/19/50/176111950.db2.gz LWNJEVZXIGNBDW-MRVPVSSYSA-N 0 0 221.260 2.166 20 5 BEBDRN C[C@@H]1CCC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000040454532 176145973 /nfs/dbraw/zinc/14/59/73/176145973.db2.gz OVNSCTAFUVSWJY-BDAKNGLRSA-N 0 0 236.275 2.375 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000274637538 176181998 /nfs/dbraw/zinc/18/19/98/176181998.db2.gz DRSVMLLZCDTWNT-SSDOTTSWSA-N 0 0 239.250 2.162 20 5 BEBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000267778757 176261084 /nfs/dbraw/zinc/26/10/84/176261084.db2.gz PTUBFXPUUBWKOD-AOOOYVTPSA-N 0 0 248.282 2.323 20 5 BEBDRN C[C@H]1CN(c2ncc([N+](=O)[O-])s2)C[C@H]1C ZINC000281839639 176320920 /nfs/dbraw/zinc/32/09/20/176320920.db2.gz IULPNHYTXZBMBJ-KNVOCYPGSA-N 0 0 227.289 2.144 20 5 BEBDRN C[C@@H]1CSC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000336755650 176356858 /nfs/dbraw/zinc/35/68/58/176356858.db2.gz XTLSOJVVKSKOPK-VXNVDRBHSA-N 0 0 239.300 2.153 20 5 BEBDRN C[C@@H]1C[C@@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000336344495 176362744 /nfs/dbraw/zinc/36/27/44/176362744.db2.gz UUFKTDACTIQNJS-NXEZZACHSA-N 0 0 248.282 2.465 20 5 BEBDRN C[C@H](CCC1CC1)Nc1c([N+](=O)[O-])ncn1C ZINC000346194569 176618188 /nfs/dbraw/zinc/61/81/88/176618188.db2.gz ZQUJLBAYKOSAGZ-MRVPVSSYSA-N 0 0 238.291 2.319 20 5 BEBDRN C[C@H](O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000087138667 177012624 /nfs/dbraw/zinc/01/26/24/177012624.db2.gz BUDKBEDGXPOXPT-BQBZGAKWSA-N 0 0 245.662 2.396 20 5 BEBDRN C[C@H]1CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000173115655 177106528 /nfs/dbraw/zinc/10/65/28/177106528.db2.gz XHGVFSJDVRIELU-JTQLQIEISA-N 0 0 248.282 2.148 20 5 BEBDRN C[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000060249423 177107885 /nfs/dbraw/zinc/10/78/85/177107885.db2.gz CGVXOVRCQHHOHW-VIFPVBQESA-N 0 0 234.255 2.219 20 5 BEBDRN C[C@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000173138263 177108148 /nfs/dbraw/zinc/10/81/48/177108148.db2.gz KYQJMYDFVWURDJ-VIFPVBQESA-N 0 0 234.255 2.219 20 5 BEBDRN C[C@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000104609289 177126121 /nfs/dbraw/zinc/12/61/21/177126121.db2.gz KAVXEQLWDBADOE-YUMQZZPRSA-N 0 0 238.243 2.106 20 5 BEBDRN C[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C1 ZINC000278749506 177170763 /nfs/dbraw/zinc/17/07/63/177170763.db2.gz RQOXQCGYXPWLDB-QMMMGPOBSA-N 0 0 221.260 2.023 20 5 BEBDRN C[C@@H]1CC[C@H](C)N1c1ncccc1[N+](=O)[O-] ZINC000301609210 177186908 /nfs/dbraw/zinc/18/69/08/177186908.db2.gz AWAKBFUPQAVEHV-DTORHVGOSA-N 0 0 221.260 2.367 20 5 BEBDRN C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@H]1C ZINC000294426455 177231839 /nfs/dbraw/zinc/23/18/39/177231839.db2.gz ZOPMALHRQVRURH-BQBZGAKWSA-N 0 0 240.284 2.137 20 5 BEBDRN C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCC1=O ZINC000168867747 177263067 /nfs/dbraw/zinc/26/30/67/177263067.db2.gz VLSJQCWTXAQFIP-JTQLQIEISA-N 0 0 248.282 2.006 20 5 BEBDRN C[C@H]1COCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000277733960 177295312 /nfs/dbraw/zinc/29/53/12/177295312.db2.gz TXVAVHAYCCJAOR-CABZTGNLSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@H]1C[C@H](C)N(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000336344496 177359848 /nfs/dbraw/zinc/35/98/48/177359848.db2.gz UUFKTDACTIQNJS-UWVGGRQHSA-N 0 0 248.282 2.465 20 5 BEBDRN C[C@]1(F)CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000295032601 177466233 /nfs/dbraw/zinc/46/62/33/177466233.db2.gz WCQYJZSLJVHSMC-VIFPVBQESA-N 0 0 245.279 2.380 20 5 BEBDRN Cc1c(NC(=O)NCC2CC2)cccc1[N+](=O)[O-] ZINC000043347339 177617371 /nfs/dbraw/zinc/61/73/71/177617371.db2.gz FLSBIZAEGWIBFR-UHFFFAOYSA-N 0 0 249.270 2.435 20 5 BEBDRN Cc1cc(COc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000488257028 225359087 /nfs/dbraw/zinc/35/90/87/225359087.db2.gz ZOKALFBUSDEBOE-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN Cc1nn(CC[C@H](C)F)c(C)c1[N+](=O)[O-] ZINC000505473595 226355670 /nfs/dbraw/zinc/35/56/70/226355670.db2.gz JGVMNXBDWBNOGZ-LURJTMIESA-N 0 0 215.228 2.156 20 5 BEBDRN CC/C=C/CNc1nccc(C)c1[N+](=O)[O-] ZINC000395058357 262759929 /nfs/dbraw/zinc/75/99/29/262759929.db2.gz OJXWNSUVVCBHJU-SNAWJCMRSA-N 0 0 221.260 2.098 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]3C[C@H]3C2)nc1 ZINC000397702530 262929755 /nfs/dbraw/zinc/92/97/55/262929755.db2.gz JZKATEXQNBVRPU-AYMMMOKOSA-N 0 0 219.244 2.200 20 5 BEBDRN CCC(C)(CC)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814050145 586613159 /nfs/dbraw/zinc/61/31/59/586613159.db2.gz WEWPABXVUFHMAQ-QMMMGPOBSA-N 0 0 217.265 2.021 20 5 BEBDRN Cc1cnc(N2[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000530484234 322815365 /nfs/dbraw/zinc/81/53/65/322815365.db2.gz YYEOHJUYTBDQDR-RKDXNWHRSA-N 0 0 221.260 2.285 20 5 BEBDRN C[C@H]1C[C@H](C)N1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000560208994 322983935 /nfs/dbraw/zinc/98/39/35/322983935.db2.gz WNHCJLSFMWNLFS-YUMQZZPRSA-N 0 0 246.270 2.458 20 5 BEBDRN CCSCCOc1cccnc1[N+](=O)[O-] ZINC000125973150 323002355 /nfs/dbraw/zinc/00/23/55/323002355.db2.gz NNHRTHTVEPFQCG-UHFFFAOYSA-N 0 0 228.273 2.122 20 5 BEBDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)(C)C ZINC000570931951 323074717 /nfs/dbraw/zinc/07/47/17/323074717.db2.gz BKHPKHUADKIILQ-SSDOTTSWSA-N 0 0 239.275 2.087 20 5 BEBDRN Cc1ccnc(NCC2=CCOCC2)c1[N+](=O)[O-] ZINC000397723321 323090611 /nfs/dbraw/zinc/09/06/11/323090611.db2.gz CABWSJXOYBSSOX-UHFFFAOYSA-N 0 0 249.270 2.057 20 5 BEBDRN C[C@H]1CC[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531633176 323110637 /nfs/dbraw/zinc/11/06/37/323110637.db2.gz FIWZCRUHRFODDR-IUCAKERBSA-N 0 0 249.270 2.003 20 5 BEBDRN Cc1ccc(OCc2ccno2)cc1[N+](=O)[O-] ZINC000534400893 323118296 /nfs/dbraw/zinc/11/82/96/323118296.db2.gz WDLLLLFAIRWZKF-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])cn1)N1CCCCCC1 ZINC000532391546 323260250 /nfs/dbraw/zinc/26/02/50/323260250.db2.gz JINDDBOIMJTTSE-UHFFFAOYSA-N 0 0 249.270 2.006 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2C3CCC2CC3)n1 ZINC000532463837 323267036 /nfs/dbraw/zinc/26/70/36/323267036.db2.gz PKIRAACECVGRCV-UHFFFAOYSA-N 0 0 233.271 2.429 20 5 BEBDRN O=[N+]([O-])c1cccc(CNCc2ccoc2)c1 ZINC000057998237 323942780 /nfs/dbraw/zinc/94/27/80/323942780.db2.gz SJTWWGWAGUOXMK-UHFFFAOYSA-N 0 0 232.239 2.478 20 5 BEBDRN Cc1cc(OCCn2cccn2)ccc1[N+](=O)[O-] ZINC000060534332 324039302 /nfs/dbraw/zinc/03/93/02/324039302.db2.gz PUNRYXZOKHZDAA-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN CCCN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000537259836 324063744 /nfs/dbraw/zinc/06/37/44/324063744.db2.gz OTNZQCXCIBTEJI-UHFFFAOYSA-N 0 0 249.270 2.004 20 5 BEBDRN COCc1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000544739949 325157438 /nfs/dbraw/zinc/15/74/38/325157438.db2.gz VKFHGYMCTICKEU-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN CC(C)c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000545558989 325228383 /nfs/dbraw/zinc/22/83/83/325228383.db2.gz PZUKWBKJFZIINL-UHFFFAOYSA-N 0 0 222.204 2.096 20 5 BEBDRN CCSc1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000135893618 325432280 /nfs/dbraw/zinc/43/22/80/325432280.db2.gz HCXIXZAZQQIDLS-UHFFFAOYSA-N 0 0 241.268 2.493 20 5 BEBDRN O=[N+]([O-])c1cc2c(nc1N1CCC1)CCCC2 ZINC000565418461 325908420 /nfs/dbraw/zinc/90/84/20/325908420.db2.gz OWQVJLNBZLINMD-UHFFFAOYSA-N 0 0 233.271 2.079 20 5 BEBDRN C[C@H]1CC[C@H](C)N1c1ncc([N+](=O)[O-])s1 ZINC000192486813 490215111 /nfs/dbraw/zinc/21/51/11/490215111.db2.gz WIJWMTPHVGGBJB-BQBZGAKWSA-N 0 0 227.289 2.429 20 5 BEBDRN O=[N+]([O-])c1ccc(C[NH2+][C@H]2C=CCC2)cc1 ZINC000829346740 582856760 /nfs/dbraw/zinc/85/67/60/582856760.db2.gz CECYJOSPQZBWBI-NSHDSACASA-N 0 0 218.256 2.403 20 5 BEBDRN CC(=O)c1ccc(OCCF)c([N+](=O)[O-])c1 ZINC000261031232 534869505 /nfs/dbraw/zinc/86/95/05/534869505.db2.gz JOZCKPQGJFATJE-UHFFFAOYSA-N 0 0 227.191 2.146 20 5 BEBDRN C/C=C/C=C\C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000492073951 527613022 /nfs/dbraw/zinc/61/30/22/527613022.db2.gz QGUMVQKJNUWEIP-ICWBMWKASA-N 0 0 247.254 2.369 20 5 BEBDRN CC1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000492758099 528269898 /nfs/dbraw/zinc/26/98/98/528269898.db2.gz DUITVSYXPSOIOS-QPJJXVBHSA-N 0 0 246.266 2.086 20 5 BEBDRN CC1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000492891354 528270025 /nfs/dbraw/zinc/27/00/25/528270025.db2.gz CQESJNCGIHTVQK-AATRIKPKSA-N 0 0 246.266 2.086 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)OC1CC1 ZINC000783198815 582947841 /nfs/dbraw/zinc/94/78/41/582947841.db2.gz SRDZDEASNGMMAN-UHFFFAOYSA-N 0 0 221.212 2.222 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCOC(F)F)cc1 ZINC000853012477 588715536 /nfs/dbraw/zinc/71/55/36/588715536.db2.gz AOIFYHYRSCVWIA-UHFFFAOYSA-N 0 0 233.170 2.213 20 5 BEBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000853650343 588751811 /nfs/dbraw/zinc/75/18/11/588751811.db2.gz OXWZPRFUZCQLQP-RKDXNWHRSA-N 0 0 206.245 2.439 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]2C(F)F)n1 ZINC000853649760 588752243 /nfs/dbraw/zinc/75/22/43/588752243.db2.gz CMYKTPFQHYVRKX-SSDOTTSWSA-N 0 0 243.213 2.142 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N[C@H]2C=CCC2)c1 ZINC000853800141 588764146 /nfs/dbraw/zinc/76/41/46/588764146.db2.gz OEQIHFJBAFKBOC-VIFPVBQESA-N 0 0 219.244 2.308 20 5 BEBDRN O=[N+]([O-])c1c(N[C@H]2C=CCC2)nc2ccccn21 ZINC000853801140 588764295 /nfs/dbraw/zinc/76/42/95/588764295.db2.gz OKJYULDIWHQXFG-VIFPVBQESA-N 0 0 244.254 2.373 20 5 BEBDRN COCCN(CCF)c1ccc([N+](=O)[O-])cc1 ZINC000853818739 588764946 /nfs/dbraw/zinc/76/49/46/588764946.db2.gz HFOGQEJJAWFARL-UHFFFAOYSA-N 0 0 242.250 2.017 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1C=CCC1 ZINC000853826091 588764991 /nfs/dbraw/zinc/76/49/91/588764991.db2.gz RCDHFTJHAQRZTD-VIFPVBQESA-N 0 0 247.254 2.435 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000853934699 588769669 /nfs/dbraw/zinc/76/96/69/588769669.db2.gz YDIDYKXEFPQTEK-MNOVXSKESA-N 0 0 248.282 2.068 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H]3COC[C@H]3C2)cc1 ZINC000853934701 588769713 /nfs/dbraw/zinc/76/97/13/588769713.db2.gz YDIDYKXEFPQTEK-WDEREUQCSA-N 0 0 248.282 2.068 20 5 BEBDRN CC[C@H](C)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000855390470 588830939 /nfs/dbraw/zinc/83/09/39/588830939.db2.gz RIHYACLJASQGHZ-JTQLQIEISA-N 0 0 244.335 2.374 20 5 BEBDRN Cc1ccc(C(=O)N[C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000855418811 588832218 /nfs/dbraw/zinc/83/22/18/588832218.db2.gz DAHZOIUQWIRCTL-NSHDSACASA-N 0 0 246.266 2.352 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000804689323 582527035 /nfs/dbraw/zinc/52/70/35/582527035.db2.gz NABHHCJXCRVCIY-XCBNKYQSSA-N 0 0 249.226 2.102 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H]3C[C@H]32)c(F)c1 ZINC000804690141 582527860 /nfs/dbraw/zinc/52/78/60/582527860.db2.gz ZLKULFOITWLLAI-WRWORJQWSA-N 0 0 222.219 2.333 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C=CCC1 ZINC000855425301 588833555 /nfs/dbraw/zinc/83/35/55/588833555.db2.gz JJDKNAUUOUCKEI-SNVBAGLBSA-N 0 0 246.266 2.352 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C=CCC2)c1 ZINC000855427058 588834013 /nfs/dbraw/zinc/83/40/13/588834013.db2.gz DIEBAKKQZBRFFH-JTQLQIEISA-N 0 0 246.266 2.352 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C=CCC2)c1 ZINC000855427059 588834080 /nfs/dbraw/zinc/83/40/80/588834080.db2.gz DIEBAKKQZBRFFH-SNVBAGLBSA-N 0 0 246.266 2.352 20 5 BEBDRN C[C@H](COC(=O)C[C@@H]1CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813106244 582581577 /nfs/dbraw/zinc/58/15/77/582581577.db2.gz BFJDZXRXUGUSMG-OPRDCNLKSA-N 0 0 229.276 2.021 20 5 BEBDRN CCCC[C@H](C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813111750 582588911 /nfs/dbraw/zinc/58/89/11/582588911.db2.gz WOPNYHWJSUCCQO-IUCAKERBSA-N 0 0 217.265 2.021 20 5 BEBDRN CCC[C@@H](CC)Nc1c([N+](=O)[O-])cnn1C ZINC000892097485 582789604 /nfs/dbraw/zinc/78/96/04/582789604.db2.gz YOTMLOXFPORKRC-MRVPVSSYSA-N 0 0 226.280 2.319 20 5 BEBDRN CC(C)(CCC(=O)NC1CC(C)(C)C1)[N+](=O)[O-] ZINC000856336104 588867601 /nfs/dbraw/zinc/86/76/01/588867601.db2.gz MJEASHHRGNPWJI-UHFFFAOYSA-N 0 0 242.319 2.127 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1N1CC=C(C)CC1 ZINC000892980778 583024863 /nfs/dbraw/zinc/02/48/63/583024863.db2.gz HTJKXCPXVSIBFQ-UHFFFAOYSA-N 0 0 249.270 2.155 20 5 BEBDRN COC(OC)[C@H](C)Nc1sccc1[N+](=O)[O-] ZINC000853681561 583061653 /nfs/dbraw/zinc/06/16/53/583061653.db2.gz SHDBVFGQGOBMRM-LURJTMIESA-N 0 0 246.288 2.076 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1N[C@H]1CC12CCCC2 ZINC000893486878 583152772 /nfs/dbraw/zinc/15/27/72/583152772.db2.gz DQQNKONXUVNSGG-VIFPVBQESA-N 0 0 236.275 2.073 20 5 BEBDRN CC(C)[C@@]1(C)C[C@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000894160801 583322113 /nfs/dbraw/zinc/32/21/13/583322113.db2.gz CVGNBMWUSDSYIG-MWLCHTKSSA-N 0 0 238.291 2.175 20 5 BEBDRN O=[N+]([O-])CCN(Cc1ccc(F)cc1)C1CC1 ZINC000791052798 583385475 /nfs/dbraw/zinc/38/54/75/583385475.db2.gz DHYWYGRTCSAWQG-UHFFFAOYSA-N 0 0 238.262 2.067 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NC1CC2(CCC2)C1 ZINC000894405578 583450139 /nfs/dbraw/zinc/45/01/39/583450139.db2.gz FVDZAMLRKTYTDY-UHFFFAOYSA-N 0 0 236.275 2.073 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1N[C@H]1CCCC12CC2 ZINC000894862149 583534995 /nfs/dbraw/zinc/53/49/95/583534995.db2.gz FKJOZUNBIUFVAG-VIFPVBQESA-N 0 0 236.275 2.073 20 5 BEBDRN O=[N+]([O-])c1cccc(CN2CC[C@H]2C(F)F)c1 ZINC000895436660 583674648 /nfs/dbraw/zinc/67/46/48/583674648.db2.gz NWUCDDSLLAPHAM-JTQLQIEISA-N 0 0 242.225 2.434 20 5 BEBDRN C[C@H]1CCN(c2sccc2[N+](=O)[O-])CCO1 ZINC000895761394 583721927 /nfs/dbraw/zinc/72/19/27/583721927.db2.gz YETRGLNIIQOPRJ-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN CC(C)(CNc1ncc([N+](=O)[O-])cn1)C1CC1 ZINC000896786156 583833677 /nfs/dbraw/zinc/83/36/77/583833677.db2.gz UKXUMJUVCDUUHG-UHFFFAOYSA-N 0 0 236.275 2.233 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1SC1COC1 ZINC000896961372 583865406 /nfs/dbraw/zinc/86/54/06/583865406.db2.gz ZZMQRJGTTVFKLF-UHFFFAOYSA-N 0 0 246.675 2.134 20 5 BEBDRN CO[C@H]1CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1 ZINC000897148237 583884560 /nfs/dbraw/zinc/88/45/60/583884560.db2.gz DNURKXMBEPLXPQ-NEPJUHHUSA-N 0 0 236.271 2.208 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CC(CCO)C2)cc1 ZINC000897231814 583898864 /nfs/dbraw/zinc/89/88/64/583898864.db2.gz ILGAHGSKOAHXKD-UHFFFAOYSA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1ccc(OCc2ccon2)cc1F ZINC000115965899 588940655 /nfs/dbraw/zinc/94/06/55/588940655.db2.gz AAUDPYGSTIUWIC-UHFFFAOYSA-N 0 0 238.174 2.301 20 5 BEBDRN CC[C@H](C)OC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000729078775 583952493 /nfs/dbraw/zinc/95/24/93/583952493.db2.gz QMZODFJWHPTTGE-VIFPVBQESA-N 0 0 237.255 2.479 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2COC[C@@H]2C2CC2)cc1 ZINC000897442122 583984546 /nfs/dbraw/zinc/98/45/46/583984546.db2.gz RHGYGOVOIUEHCN-CHWSQXEVSA-N 0 0 248.282 2.432 20 5 BEBDRN CC(C)c1ccccc1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841010872 584010474 /nfs/dbraw/zinc/01/04/74/584010474.db2.gz JUWNZOQRHGXSKY-GHMZBOCLSA-N 0 0 249.266 2.381 20 5 BEBDRN C/C=C\c1ccc(OCC[N+](=O)[O-])c(OC)c1 ZINC000899230210 584183142 /nfs/dbraw/zinc/18/31/42/584183142.db2.gz FNEYWNUPIJGRIZ-ARJAWSKDSA-N 0 0 237.255 2.384 20 5 BEBDRN Cc1cc(C)c(C)c(OCC[N+](=O)[O-])c1 ZINC000899230802 584183239 /nfs/dbraw/zinc/18/32/39/584183239.db2.gz KUHFBTRZIWKNNJ-UHFFFAOYSA-N 0 0 209.245 2.267 20 5 BEBDRN CCCOc1ccccc1OCC[N+](=O)[O-] ZINC000899231204 584183274 /nfs/dbraw/zinc/18/32/74/584183274.db2.gz NWSOTXIGRVGWQZ-UHFFFAOYSA-N 0 0 225.244 2.131 20 5 BEBDRN CCC(=O)c1ccc(C)cc1OCC[N+](=O)[O-] ZINC000899232643 584183348 /nfs/dbraw/zinc/18/33/48/584183348.db2.gz RFGCZJLMZIBTBR-UHFFFAOYSA-N 0 0 237.255 2.243 20 5 BEBDRN Cc1ccnc2c(OCC[N+](=O)[O-])cccc12 ZINC000899232801 584183565 /nfs/dbraw/zinc/18/35/65/584183565.db2.gz VPNVSVLXOFZVKH-UHFFFAOYSA-N 0 0 232.239 2.199 20 5 BEBDRN O=[N+]([O-])CCSc1ncc(Cl)s1 ZINC000901582581 584467254 /nfs/dbraw/zinc/46/72/54/584467254.db2.gz NNMVCGODLNCFEZ-UHFFFAOYSA-N 0 0 224.694 2.165 20 5 BEBDRN CCCOc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000901701419 584482978 /nfs/dbraw/zinc/48/29/78/584482978.db2.gz HWLSEHVGVJQVSN-UHFFFAOYSA-N 0 0 239.227 2.155 20 5 BEBDRN CCOCCSCc1cccnc1[N+](=O)[O-] ZINC000902284435 584547741 /nfs/dbraw/zinc/54/77/41/584547741.db2.gz RHBHHOLRNUWRIP-UHFFFAOYSA-N 0 0 242.300 2.260 20 5 BEBDRN Cc1cn(C[C@@H]2C[C@H]3C=C[C@@H]2C3)nc1[N+](=O)[O-] ZINC000902374143 584567224 /nfs/dbraw/zinc/56/72/24/584567224.db2.gz XYZIHYBFYXYORF-AXFHLTTASA-N 0 0 233.271 2.312 20 5 BEBDRN Cc1cc(C(=O)OCCCF)cc([N+](=O)[O-])c1 ZINC000741446397 584924679 /nfs/dbraw/zinc/92/46/79/584924679.db2.gz XAEQJDYFEOKDFS-UHFFFAOYSA-N 0 0 241.218 2.420 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CC2CCC1CC2 ZINC000816097306 584976955 /nfs/dbraw/zinc/97/69/55/584976955.db2.gz ZARKNSSUXNHACJ-SFXRXQKFSA-N 0 0 241.287 2.021 20 5 BEBDRN C[Si](C)(C)COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000735962684 584984972 /nfs/dbraw/zinc/98/49/72/584984972.db2.gz OYJXUUOUHBTUQO-UHFFFAOYSA-N 0 0 243.291 2.222 20 5 BEBDRN CC(C)CCCCC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000838964418 585082539 /nfs/dbraw/zinc/08/25/39/585082539.db2.gz JDVNFRYDCRXALY-JTQLQIEISA-N 0 0 231.292 2.411 20 5 BEBDRN COC(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000867007378 585098568 /nfs/dbraw/zinc/09/85/68/585098568.db2.gz QDMVIHKSXKVPDC-UHFFFAOYSA-N 0 0 236.227 2.114 20 5 BEBDRN C/C=C/COC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000743197046 585133995 /nfs/dbraw/zinc/13/39/95/585133995.db2.gz HPFCQPZROURLSZ-NSCUHMNNSA-N 0 0 239.202 2.467 20 5 BEBDRN CCC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000748108133 585187193 /nfs/dbraw/zinc/18/71/93/585187193.db2.gz CJCTVTFNLWFRDU-MRVPVSSYSA-N 0 0 240.259 2.279 20 5 BEBDRN CS/C=C\C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000751558077 585232524 /nfs/dbraw/zinc/23/25/24/585232524.db2.gz LIWCQKRNJLJYAW-WAYWQWQTSA-N 0 0 238.268 2.410 20 5 BEBDRN C/C=C/COC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000805070781 585290574 /nfs/dbraw/zinc/29/05/74/585290574.db2.gz ZUSJKLLKAXCLBU-ONEGZZNKSA-N 0 0 236.227 2.031 20 5 BEBDRN C/C=C/C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757616374 585343016 /nfs/dbraw/zinc/34/30/16/585343016.db2.gz IRTOZMQDHPUXKU-DUXPYHPUSA-N 0 0 246.266 2.056 20 5 BEBDRN C/C=C\COC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000757882941 585346295 /nfs/dbraw/zinc/34/62/95/585346295.db2.gz YLISBMKSXJQEGA-IHWYPQMZSA-N 0 0 239.202 2.467 20 5 BEBDRN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000760274154 585388624 /nfs/dbraw/zinc/38/86/24/585388624.db2.gz SSTOYNZDZGUGDS-MRVPVSSYSA-N 0 0 232.243 2.491 20 5 BEBDRN CC(C)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000763543139 585450008 /nfs/dbraw/zinc/45/00/08/585450008.db2.gz OFKPQKIWFUWFQQ-MRVPVSSYSA-N 0 0 240.259 2.135 20 5 BEBDRN CON(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000768706994 585542078 /nfs/dbraw/zinc/54/20/78/585542078.db2.gz BYOGWKRWJKBVAS-UHFFFAOYSA-N 0 0 230.651 2.241 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000769142244 585549913 /nfs/dbraw/zinc/54/99/13/585549913.db2.gz ZJMUGPJNPXYDBL-XPUUQOCRSA-N 0 0 241.268 2.356 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC(C(F)F)C2)c(F)c1 ZINC000769352835 585554408 /nfs/dbraw/zinc/55/44/08/585554408.db2.gz YUCJNAYJZQDQPG-UHFFFAOYSA-N 0 0 246.188 2.435 20 5 BEBDRN CC1(COC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000790809342 585706073 /nfs/dbraw/zinc/70/60/73/585706073.db2.gz ZWHDIKMHAPDALK-UHFFFAOYSA-N 0 0 249.266 2.481 20 5 BEBDRN Nc1ccc(C(=O)O[C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000780552376 585780703 /nfs/dbraw/zinc/78/07/03/585780703.db2.gz ODCPAQGYPBOZMX-SECBINFHSA-N 0 0 248.238 2.052 20 5 BEBDRN O=C(Cc1ccccc1[N+](=O)[O-])O[C@H]1C=CCC1 ZINC000780554569 585780868 /nfs/dbraw/zinc/78/08/68/585780868.db2.gz RDTUNIRAFYQDJY-NSHDSACASA-N 0 0 247.250 2.399 20 5 BEBDRN CCON(C)c1c(F)cc([N+](=O)[O-])cc1F ZINC000780659812 585782931 /nfs/dbraw/zinc/78/29/31/585782931.db2.gz BXSPGSQXBBGTFR-UHFFFAOYSA-N 0 0 232.186 2.261 20 5 BEBDRN CCC(=O)OCc1ccc([N+](=O)[O-])c(F)c1 ZINC000782023009 585806594 /nfs/dbraw/zinc/80/65/94/585806594.db2.gz DYPVXENNARWLDY-UHFFFAOYSA-N 0 0 227.191 2.187 20 5 BEBDRN O=C(OC1CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000783193084 585829808 /nfs/dbraw/zinc/82/98/08/585829808.db2.gz BUXXPWOXLVVOJG-UHFFFAOYSA-N 0 0 225.175 2.053 20 5 BEBDRN Cc1cccc(C(=O)OC2CC2)c1[N+](=O)[O-] ZINC000783195997 585829896 /nfs/dbraw/zinc/82/98/96/585829896.db2.gz LIXSINNZDJVZQS-UHFFFAOYSA-N 0 0 221.212 2.222 20 5 BEBDRN C/C(=C/C(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000784587337 585864014 /nfs/dbraw/zinc/86/40/14/585864014.db2.gz FDIJBYCUJDYGQV-HJWRWDBZSA-N 0 0 246.266 2.277 20 5 BEBDRN CC1(COC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000790803628 585968722 /nfs/dbraw/zinc/96/87/22/585968722.db2.gz BGEDCGRUTLAPIU-UHFFFAOYSA-N 0 0 249.266 2.481 20 5 BEBDRN O=C(OCC1=CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000790833039 585970345 /nfs/dbraw/zinc/97/03/45/585970345.db2.gz NQPKNWIYRFAJGE-UHFFFAOYSA-N 0 0 237.211 2.455 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCc1cccnc1F ZINC000795225688 586072713 /nfs/dbraw/zinc/07/27/13/586072713.db2.gz OYGUNPHCEHCVKI-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN CCC(=O)OCc1ccc([N+](=O)[O-])cc1OC ZINC000797471141 586127664 /nfs/dbraw/zinc/12/76/64/586127664.db2.gz CHPLURIFSRLMHC-UHFFFAOYSA-N 0 0 239.227 2.057 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC(F)(F)CC2)s1 ZINC000799962032 586203840 /nfs/dbraw/zinc/20/38/40/586203840.db2.gz LTLLBTBNQYXTTO-UHFFFAOYSA-N 0 0 249.242 2.287 20 5 BEBDRN Cc1cc(CNc2cc(N)ccc2[N+](=O)[O-])on1 ZINC000800847349 586234180 /nfs/dbraw/zinc/23/41/80/586234180.db2.gz ABNAZRQHHSIUGC-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN CC(=O)OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000116757658 589036485 /nfs/dbraw/zinc/03/64/85/589036485.db2.gz FIAYEXPOVMNJJA-UHFFFAOYSA-N 0 0 229.619 2.311 20 5 BEBDRN Cc1cc(C(=O)OCC(F)F)cc([N+](=O)[O-])c1 ZINC000103651353 586266168 /nfs/dbraw/zinc/26/61/68/586266168.db2.gz KJESKDXVTGIDEK-UHFFFAOYSA-N 0 0 245.181 2.325 20 5 BEBDRN CCC(=O)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803228782 586339451 /nfs/dbraw/zinc/33/94/51/586339451.db2.gz UUUCAVAXNLJUBL-UHFFFAOYSA-N 0 0 245.181 2.326 20 5 BEBDRN O=C(OCCF)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000803413242 586353023 /nfs/dbraw/zinc/35/30/23/586353023.db2.gz KDZQWGRFRAFGCW-UHFFFAOYSA-N 0 0 247.609 2.375 20 5 BEBDRN CN(Cc1ccoc1)c1ccc(N)cc1[N+](=O)[O-] ZINC000804376136 586393507 /nfs/dbraw/zinc/39/35/07/586393507.db2.gz XNGSOUMJBHUXEF-UHFFFAOYSA-N 0 0 247.254 2.406 20 5 BEBDRN O=[N+]([O-])c1cnccc1Oc1cccnc1F ZINC000807992192 586455966 /nfs/dbraw/zinc/45/59/66/586455966.db2.gz APHXDUXWWOZRBF-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN CC(C)OCCONc1ccc([N+](=O)[O-])cc1 ZINC000812488923 586578165 /nfs/dbraw/zinc/57/81/65/586578165.db2.gz OYCDRDVGJGXYJJ-UHFFFAOYSA-N 0 0 240.259 2.363 20 5 BEBDRN C[C@@H](COC(=O)[C@@H](C)c1ccsc1)[N+](=O)[O-] ZINC000813102627 586592197 /nfs/dbraw/zinc/59/21/97/586592197.db2.gz UCCLKQHVZGFPFX-YUMQZZPRSA-N 0 0 243.284 2.060 20 5 BEBDRN C[C@H](COC(=O)C1CCC(C)(C)CC1)[N+](=O)[O-] ZINC000813108065 586592819 /nfs/dbraw/zinc/59/28/19/586592819.db2.gz UUFYUAYPPRNRNU-SECBINFHSA-N 0 0 243.303 2.411 20 5 BEBDRN CCC[C@](C)(CC)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813107133 586592993 /nfs/dbraw/zinc/59/29/93/586592993.db2.gz KEKAWHLYNBQWMJ-KOLCDFICSA-N 0 0 231.292 2.411 20 5 BEBDRN CCc1ccsc1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813109526 586593008 /nfs/dbraw/zinc/59/30/08/586593008.db2.gz KSRGTWBBEQEOER-SSDOTTSWSA-N 0 0 243.284 2.133 20 5 BEBDRN CCc1ccccc1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813110490 586593574 /nfs/dbraw/zinc/59/35/74/586593574.db2.gz BRZGTABKDDIYMQ-VIFPVBQESA-N 0 0 237.255 2.071 20 5 BEBDRN C[C@H](COC(=O)[C@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813111034 586593636 /nfs/dbraw/zinc/59/36/36/586593636.db2.gz ATWOASMYDCPDAZ-BBBLOLIVSA-N 0 0 229.276 2.021 20 5 BEBDRN C/C(=C/C(=O)OC[C@H](C)[N+](=O)[O-])c1ccccc1 ZINC000813112740 586593893 /nfs/dbraw/zinc/59/38/93/586593893.db2.gz KGQQQVISPOITBL-IEHMKBBKSA-N 0 0 249.266 2.298 20 5 BEBDRN CC[C@@H]1CCCC[C@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814037016 586611711 /nfs/dbraw/zinc/61/17/11/586611711.db2.gz PGQFQXBTPHLMDW-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN CCC[C@H](C(=O)O[C@H](C)C[N+](=O)[O-])C(C)C ZINC000814037802 586612147 /nfs/dbraw/zinc/61/21/47/586612147.db2.gz GSBNMALKYZKGTC-ZJUUUORDSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC1(C)C ZINC000814037271 586612163 /nfs/dbraw/zinc/61/21/63/586612163.db2.gz VHFGBBFRUJVWPY-BDAKNGLRSA-N 0 0 229.276 2.021 20 5 BEBDRN CC(C(=O)O[C@H](C)C[N+](=O)[O-])=C1CCCC1 ZINC000814037601 586612269 /nfs/dbraw/zinc/61/22/69/586612269.db2.gz ZHBCBPSCTJCBCI-MRVPVSSYSA-N 0 0 227.260 2.085 20 5 BEBDRN CC(C)CC1(C(=O)O[C@H](C)C[N+](=O)[O-])CCC1 ZINC000814040739 586612325 /nfs/dbraw/zinc/61/23/25/586612325.db2.gz KNTKNWLUVAGKTO-SNVBAGLBSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1ccc(Cl)cc1 ZINC000814043096 586612676 /nfs/dbraw/zinc/61/26/76/586612676.db2.gz AWFBUDLGOJTSER-SSDOTTSWSA-N 0 0 243.646 2.162 20 5 BEBDRN CCCC[C@H](C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814044847 586612731 /nfs/dbraw/zinc/61/27/31/586612731.db2.gz KEHUXPHDXMBFGY-DTWKUNHWSA-N 0 0 217.265 2.021 20 5 BEBDRN CCCC[C@@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814044846 586612772 /nfs/dbraw/zinc/61/27/72/586612772.db2.gz KEHUXPHDXMBFGY-BDAKNGLRSA-N 0 0 217.265 2.021 20 5 BEBDRN CC[C@H](C)CCC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814045452 586612798 /nfs/dbraw/zinc/61/27/98/586612798.db2.gz SOKAMYCFXSEKRX-DTWKUNHWSA-N 0 0 217.265 2.021 20 5 BEBDRN C/C(=C/C(=O)O[C@H](C)C[N+](=O)[O-])C(C)(C)C ZINC000814045225 586612838 /nfs/dbraw/zinc/61/28/38/586612838.db2.gz ZFMUPJUWOGZCON-JGAIRUGNSA-N 0 0 229.276 2.187 20 5 BEBDRN Cc1scc(C(=O)O[C@H](C)C[N+](=O)[O-])c1C ZINC000814045076 586612871 /nfs/dbraw/zinc/61/28/71/586612871.db2.gz MLNIFNJVHVUFPH-ZCFIWIBFSA-N 0 0 243.284 2.187 20 5 BEBDRN CCCCCCC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814047746 586612928 /nfs/dbraw/zinc/61/29/28/586612928.db2.gz XFGWRKWBWQZMLA-SECBINFHSA-N 0 0 217.265 2.165 20 5 BEBDRN C/C(=C\C(C)(C)C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814048638 586613106 /nfs/dbraw/zinc/61/31/06/586613106.db2.gz LXVGQWIORNXKTE-ORZBULNSSA-N 0 0 229.276 2.187 20 5 BEBDRN CC/C=C(\C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819910675 587001835 /nfs/dbraw/zinc/00/18/35/587001835.db2.gz UQUZOLOKQVWNFX-XBXARRHUSA-N 0 0 249.270 2.472 20 5 BEBDRN Cc1ncoc1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000820591233 587057094 /nfs/dbraw/zinc/05/70/94/587057094.db2.gz DYRQBOIYKJOXIN-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN C[C@H](COC(=O)[C@H]1CCCC[C@H]1C)[N+](=O)[O-] ZINC000821167841 587100116 /nfs/dbraw/zinc/10/01/16/587100116.db2.gz YZQVPEODVCCSQK-BBBLOLIVSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC[C@H]1C ZINC000821201291 587100990 /nfs/dbraw/zinc/10/09/90/587100990.db2.gz BSUBIUVDODDALC-OPRDCNLKSA-N 0 0 229.276 2.021 20 5 BEBDRN COC(=O)CS/C=C/c1ccc([N+](=O)[O-])o1 ZINC000821690809 587134683 /nfs/dbraw/zinc/13/46/83/587134683.db2.gz DXHFCMFFCNEWEZ-SNAWJCMRSA-N 0 0 243.240 2.065 20 5 BEBDRN CC(C)[C@@H](C)N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822403019 587165206 /nfs/dbraw/zinc/16/52/06/587165206.db2.gz OVBJDLCJDMVLSA-SNVBAGLBSA-N 0 0 244.335 2.325 20 5 BEBDRN CC(C)(CCC(=O)NCC1CCCC1)[N+](=O)[O-] ZINC000822457054 587169284 /nfs/dbraw/zinc/16/92/84/587169284.db2.gz GVEHUEBEKDACOM-UHFFFAOYSA-N 0 0 242.319 2.128 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC(C)C1 ZINC000822463168 587169882 /nfs/dbraw/zinc/16/98/82/587169882.db2.gz ZJHSQEMARPMUNJ-UHFFFAOYSA-N 0 0 248.282 2.304 20 5 BEBDRN C/C=C(\C)C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000825648058 587329105 /nfs/dbraw/zinc/32/91/05/587329105.db2.gz KTONBVVSKURIFW-RUDMXATFSA-N 0 0 248.282 2.486 20 5 BEBDRN CC/C=C\CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829838047 587522154 /nfs/dbraw/zinc/52/21/54/587522154.db2.gz QXTCXUCTOLRJQD-ARJAWSKDSA-N 0 0 240.219 2.056 20 5 BEBDRN CCOCOc1ccc([N+](=O)[O-])c(F)c1F ZINC000829884466 587527284 /nfs/dbraw/zinc/52/72/84/587527284.db2.gz WOYFJLAPTXIOSO-UHFFFAOYSA-N 0 0 233.170 2.246 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@@H](F)C1 ZINC000830467183 587552252 /nfs/dbraw/zinc/55/22/52/587552252.db2.gz GYUZDGPLNJDIHQ-SNVBAGLBSA-N 0 0 242.225 2.278 20 5 BEBDRN CC(C)C1(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000833671656 587727295 /nfs/dbraw/zinc/72/72/95/587727295.db2.gz RTTXKAJCCKYYHZ-UHFFFAOYSA-N 0 0 242.319 2.127 20 5 BEBDRN CC(C)(CCc1nc(C2CCC2)no1)[N+](=O)[O-] ZINC000834530346 587758855 /nfs/dbraw/zinc/75/88/55/587758855.db2.gz FVZYYNLAWMTSQV-UHFFFAOYSA-N 0 0 239.275 2.325 20 5 BEBDRN C[C@@H]1C[C@H]1c1noc(CCC(C)(C)[N+](=O)[O-])n1 ZINC000834620803 587761248 /nfs/dbraw/zinc/76/12/48/587761248.db2.gz WWQKLKCNKBEPBC-HTQZYQBOSA-N 0 0 239.275 2.181 20 5 BEBDRN C[C@@H]1C[C@@H]1c1noc(CCC(C)(C)[N+](=O)[O-])n1 ZINC000834620805 587761378 /nfs/dbraw/zinc/76/13/78/587761378.db2.gz WWQKLKCNKBEPBC-SFYZADRCSA-N 0 0 239.275 2.181 20 5 BEBDRN CCCCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835077392 587780569 /nfs/dbraw/zinc/78/05/69/587780569.db2.gz FZPJEJBKOUSZKI-UHFFFAOYSA-N 0 0 217.265 2.165 20 5 BEBDRN CC/C=C/COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835092487 587782694 /nfs/dbraw/zinc/78/26/94/587782694.db2.gz ZFPDNESDMWNGQU-AATRIKPKSA-N 0 0 229.276 2.331 20 5 BEBDRN CC[C@@H](CC(C)C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000835453866 587802953 /nfs/dbraw/zinc/80/29/53/587802953.db2.gz HNOWCUKBRIEUOI-UWVGGRQHSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@@H](COC(=O)C(C)(C)C1CCC1)[N+](=O)[O-] ZINC000835456955 587803286 /nfs/dbraw/zinc/80/32/86/587803286.db2.gz VBXMLLFJQQVXSY-QMMMGPOBSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H]1CCC[C@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000840669571 587915935 /nfs/dbraw/zinc/91/59/35/587915935.db2.gz CVFMQJBTHCALQN-LMLFDSFASA-N 0 0 241.287 2.021 20 5 BEBDRN Cc1ccc(C)c(OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C ZINC000841005986 587935051 /nfs/dbraw/zinc/93/50/51/587935051.db2.gz PLCVQAPWNNPFHF-GHMZBOCLSA-N 0 0 249.266 2.182 20 5 BEBDRN O=[N+]([O-])C1C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000841730382 587973146 /nfs/dbraw/zinc/97/31/46/587973146.db2.gz MITKMQYEWWDQDN-RKDXNWHRSA-N 0 0 249.201 2.008 20 5 BEBDRN C[C@@]1(O)C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000842046102 587992545 /nfs/dbraw/zinc/99/25/45/587992545.db2.gz PBJNXYJVUPGWMT-DGFRNANFSA-N 0 0 240.234 2.059 20 5 BEBDRN CN(CCC(C)(C)C)Cn1nccc1[N+](=O)[O-] ZINC000842630357 588047123 /nfs/dbraw/zinc/04/71/23/588047123.db2.gz BVWNCUKDOKCITM-UHFFFAOYSA-N 0 0 240.307 2.117 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)C1(F)CC1 ZINC000842690389 588053123 /nfs/dbraw/zinc/05/31/23/588053123.db2.gz RRRJWLMGZFBFJJ-UHFFFAOYSA-N 0 0 239.202 2.311 20 5 BEBDRN CC1=C(C)C[C@@H](C(=O)OC[C@H](C)[N+](=O)[O-])CC1 ZINC000842801973 588065039 /nfs/dbraw/zinc/06/50/39/588065039.db2.gz OEJFELQLGCEVLV-QWRGUYRKSA-N 0 0 241.287 2.331 20 5 BEBDRN CC1=C(C)C[C@@H](C(=O)O[C@H](C)C[N+](=O)[O-])CC1 ZINC000842805182 588065435 /nfs/dbraw/zinc/06/54/35/588065435.db2.gz BNXHKRUWKKYNSU-MNOVXSKESA-N 0 0 241.287 2.331 20 5 BEBDRN CC(=O)O[C@@H](c1ccccc1F)[C@H](C)[N+](=O)[O-] ZINC000845872514 588249475 /nfs/dbraw/zinc/24/94/75/588249475.db2.gz ISNNYTLHRUNGST-WRWORJQWSA-N 0 0 241.218 2.095 20 5 BEBDRN C[C@@H]1C[C@@H]1C(N)=NOCc1ccc([N+](=O)[O-])cc1 ZINC000848514402 588389088 /nfs/dbraw/zinc/38/90/88/588389088.db2.gz NOYMBLSHUQXKPX-KCJUWKMLSA-N 0 0 249.270 2.249 20 5 BEBDRN C[C@@H](O)CCNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000849312052 588471550 /nfs/dbraw/zinc/47/15/50/588471550.db2.gz WAUIEUCZTVGYRR-SSDOTTSWSA-N 0 0 244.678 2.431 20 5 BEBDRN O=C(OCc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000849633815 588482859 /nfs/dbraw/zinc/48/28/59/588482859.db2.gz HVEUXQGOSDNNTH-UHFFFAOYSA-N 0 0 239.202 2.187 20 5 BEBDRN O=C(CCCF)Oc1cccc([N+](=O)[O-])c1 ZINC000850742995 588564140 /nfs/dbraw/zinc/56/41/40/588564140.db2.gz PFBXWMCARIEPFL-UHFFFAOYSA-N 0 0 227.191 2.250 20 5 BEBDRN O=C(CCCF)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000850900481 588575013 /nfs/dbraw/zinc/57/50/13/588575013.db2.gz ATINYTAMUQPVCX-UHFFFAOYSA-N 0 0 245.181 2.389 20 5 BEBDRN C[C@H](COC(=O)[C@H]1CCCC2(CC2)C1)[N+](=O)[O-] ZINC000851036550 588585709 /nfs/dbraw/zinc/58/57/09/588585709.db2.gz KGFGTRFKAWODLD-ZJUUUORDSA-N 0 0 241.287 2.165 20 5 BEBDRN CC1=CC[C@](C)(C(=O)O[C@@H](C)C[N+](=O)[O-])CC1 ZINC000851044071 588586537 /nfs/dbraw/zinc/58/65/37/588586537.db2.gz AUOPPZMDBVQZCV-JQWIXIFHSA-N 0 0 241.287 2.331 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000851045568 588586595 /nfs/dbraw/zinc/58/65/95/588586595.db2.gz LIPKHWJOLZSCGP-NXEZZACHSA-N 0 0 241.287 2.165 20 5 BEBDRN CC(C)(COC(=O)c1ccc(Cl)o1)[N+](=O)[O-] ZINC000851123789 588592171 /nfs/dbraw/zinc/59/21/71/588592171.db2.gz VSMZIIMARODZTI-UHFFFAOYSA-N 0 0 247.634 2.145 20 5 BEBDRN Cc1ccccc1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851122869 588592213 /nfs/dbraw/zinc/59/22/13/588592213.db2.gz KQNKLKYVAWEALT-UHFFFAOYSA-N 0 0 237.255 2.207 20 5 BEBDRN CC(C)(COC(=O)c1ccccc1F)[N+](=O)[O-] ZINC000851123941 588592311 /nfs/dbraw/zinc/59/23/11/588592311.db2.gz YMWFIAKQKYENOC-UHFFFAOYSA-N 0 0 241.218 2.038 20 5 BEBDRN CCC(=CC(=O)OCC(C)(C)[N+](=O)[O-])CC ZINC000851126940 588592349 /nfs/dbraw/zinc/59/23/49/588592349.db2.gz RKUGGCHTGGPPGV-UHFFFAOYSA-N 0 0 229.276 2.331 20 5 BEBDRN CC(C)(COC(=O)[C@@H]1CCC(C)(C)C1)[N+](=O)[O-] ZINC000851126690 588592609 /nfs/dbraw/zinc/59/26/09/588592609.db2.gz GUTJOZRATLETFX-SECBINFHSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)(COC(=O)C=C1CCCC1)[N+](=O)[O-] ZINC000851126074 588592641 /nfs/dbraw/zinc/59/26/41/588592641.db2.gz LRDUHJWKHYUWFF-UHFFFAOYSA-N 0 0 227.260 2.085 20 5 BEBDRN CC(C)(C)/C=C/C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127096 588592797 /nfs/dbraw/zinc/59/27/97/588592797.db2.gz SLXNNLLRFSNIII-VOTSOKGWSA-N 0 0 229.276 2.187 20 5 BEBDRN CC(C)(COC(=O)C[C@@H]1CC[C@H]2C[C@H]21)[N+](=O)[O-] ZINC000851129684 588592892 /nfs/dbraw/zinc/59/28/92/588592892.db2.gz QSEDSVYVSGGKRL-LPEHRKFASA-N 0 0 241.287 2.021 20 5 BEBDRN CCc1ccsc1C(=O)OCCC[N+](=O)[O-] ZINC000860916179 589130957 /nfs/dbraw/zinc/13/09/57/589130957.db2.gz OUSXFLXUXGZNJS-UHFFFAOYSA-N 0 0 243.284 2.134 20 5 BEBDRN Cc1oc(C)c(C(=O)OCCC[N+](=O)[O-])c1C ZINC000860913370 589131347 /nfs/dbraw/zinc/13/13/47/589131347.db2.gz ARISKZBJGMINAV-UHFFFAOYSA-N 0 0 241.243 2.028 20 5 BEBDRN CCCCS[C@H](C)C(=O)OCCC[N+](=O)[O-] ZINC000860915828 589131669 /nfs/dbraw/zinc/13/16/69/589131669.db2.gz KAFGETJHQXKIAK-SECBINFHSA-N 0 0 249.332 2.118 20 5 BEBDRN CC(C)(C(=O)OCCC[N+](=O)[O-])C1CCC1 ZINC000860919839 589132136 /nfs/dbraw/zinc/13/21/36/589132136.db2.gz XJDLNGRORPFHFM-UHFFFAOYSA-N 0 0 229.276 2.023 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])[C@@H]1C[C@H]1C1CCCC1 ZINC000860919802 589132276 /nfs/dbraw/zinc/13/22/76/589132276.db2.gz WAVFYEMDMVSXOQ-WDEREUQCSA-N 0 0 241.287 2.023 20 5 BEBDRN CC[C@H]1CCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860918597 589132351 /nfs/dbraw/zinc/13/23/51/589132351.db2.gz MWKYHNCWMRQXNM-UWVGGRQHSA-N 0 0 229.276 2.023 20 5 BEBDRN C[C@@H]1CCC[C@H]1CC(=O)OCCC[N+](=O)[O-] ZINC000860921097 589132474 /nfs/dbraw/zinc/13/24/74/589132474.db2.gz NCXXRBIGTLZMCK-ZJUUUORDSA-N 0 0 229.276 2.023 20 5 BEBDRN C/C(=C\C(C)(C)C)C(=O)OCCC[N+](=O)[O-] ZINC000860920450 589132652 /nfs/dbraw/zinc/13/26/52/589132652.db2.gz BOLBBBYPZLEDJZ-CMDGGOBGSA-N 0 0 229.276 2.189 20 5 BEBDRN CCCC[C@](C)(F)C(=O)OCCC[N+](=O)[O-] ZINC000860922321 589132751 /nfs/dbraw/zinc/13/27/51/589132751.db2.gz NBTKFEPDXNAQBS-JTQLQIEISA-N 0 0 235.255 2.115 20 5 BEBDRN CCCOCOc1cccc([N+](=O)[O-])c1 ZINC000863224626 589272969 /nfs/dbraw/zinc/27/29/69/589272969.db2.gz GGKOLUKJMWDCKV-UHFFFAOYSA-N 0 0 211.217 2.358 20 5 BEBDRN CC(C)SCOc1cccnc1[N+](=O)[O-] ZINC000863245810 589274344 /nfs/dbraw/zinc/27/43/44/589274344.db2.gz IWXPNEULRVSRCR-UHFFFAOYSA-N 0 0 228.273 2.468 20 5 BEBDRN CCCOCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000863313633 589278427 /nfs/dbraw/zinc/27/84/27/589278427.db2.gz RHFGEYBQBGCBQT-UHFFFAOYSA-N 0 0 229.207 2.497 20 5 BEBDRN C[C@H]1C[C@@H]1COc1ccc(N)c([N+](=O)[O-])c1 ZINC000863456069 589289647 /nfs/dbraw/zinc/28/96/47/589289647.db2.gz FTBDAISQBHJZOJ-JGVFFNPUSA-N 0 0 222.244 2.212 20 5 BEBDRN Nc1ccc(NC(=O)C2CCCC2)cc1[N+](=O)[O-] ZINC000864611830 589383553 /nfs/dbraw/zinc/38/35/53/589383553.db2.gz MXCVQJTWMHVSPG-UHFFFAOYSA-N 0 0 249.270 2.306 20 5 BEBDRN C[C@@H](Cn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C ZINC000865341753 589420818 /nfs/dbraw/zinc/42/08/18/589420818.db2.gz YLLUDYLLPSUFRT-VIFPVBQESA-N 0 0 238.287 2.439 20 5 BEBDRN O=c1c([N+](=O)[O-])cccn1CC1CC2(CCC2)C1 ZINC000865353664 589424536 /nfs/dbraw/zinc/42/45/36/589424536.db2.gz JTVJNDOFRMSCCE-UHFFFAOYSA-N 0 0 248.282 2.337 20 5 BEBDRN CC(C)(C)SCCCn1ncc([N+](=O)[O-])n1 ZINC000865372914 589427741 /nfs/dbraw/zinc/42/77/41/589427741.db2.gz ZUVTXMTZWWOUCY-UHFFFAOYSA-N 0 0 244.320 2.108 20 5 BEBDRN O=[N+]([O-])c1sccc1N1CC2(CC2)C1 ZINC000865841886 589464354 /nfs/dbraw/zinc/46/43/54/589464354.db2.gz LITZOCFSHXFIQT-UHFFFAOYSA-N 0 0 210.258 2.257 20 5 BEBDRN CC(C)(F)CNc1cc(N)ccc1[N+](=O)[O-] ZINC000865987158 589471601 /nfs/dbraw/zinc/47/16/01/589471601.db2.gz ULLHZHZMQPZEOX-UHFFFAOYSA-N 0 0 227.239 2.337 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCCC[C@@H]2F)nc1 ZINC000866048360 589474257 /nfs/dbraw/zinc/47/42/57/589474257.db2.gz YYSJUUIFJMSCDI-DTWKUNHWSA-N 0 0 240.238 2.077 20 5 BEBDRN Cc1cnc(OC/C=C/Cl)c([N+](=O)[O-])c1 ZINC000121708820 589526874 /nfs/dbraw/zinc/52/68/74/589526874.db2.gz UOWPPHMWZBVGIX-NSCUHMNNSA-N 0 0 228.635 2.430 20 5 BEBDRN CC[C@@H](Sc1ccc([N+](=O)[O-])cn1)C(C)=O ZINC000871662723 589784252 /nfs/dbraw/zinc/78/42/52/589784252.db2.gz GNYWTWOUNKDJIN-SECBINFHSA-N 0 0 240.284 2.450 20 5 BEBDRN Cc1c(CNC(CF)CF)cccc1[N+](=O)[O-] ZINC000873129131 589985825 /nfs/dbraw/zinc/98/58/25/589985825.db2.gz JEHZWDKAZOCQGC-UHFFFAOYSA-N 0 0 244.241 2.300 20 5 BEBDRN O=C(OCC(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000124727762 590079721 /nfs/dbraw/zinc/07/97/21/590079721.db2.gz OEKVYCMBIPOQLO-UHFFFAOYSA-N 0 0 249.144 2.156 20 5 BEBDRN C[C@@H](NC(=O)[C@H]1C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000874628007 590119150 /nfs/dbraw/zinc/11/91/50/590119150.db2.gz ZSWIXJMTSFFQAD-KKZNHRDASA-N 0 0 248.282 2.428 20 5 BEBDRN O=C(Nc1cscc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000874811816 590138908 /nfs/dbraw/zinc/13/89/08/590138908.db2.gz RIJXDLBLXWKJLN-CLZZGJSISA-N 0 0 246.675 2.005 20 5 BEBDRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OCCF ZINC000125459199 590165217 /nfs/dbraw/zinc/16/52/17/590165217.db2.gz IRHUESUFQCJGIA-ZZXKWVIFSA-N 0 0 239.202 2.121 20 5 BEBDRN Cc1cccc(NCc2cn(C)nc2[N+](=O)[O-])c1 ZINC000876819161 590245816 /nfs/dbraw/zinc/24/58/16/590245816.db2.gz CNFJABLBXIXPEP-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCCOC1CC1 ZINC000877879490 590436380 /nfs/dbraw/zinc/43/63/80/590436380.db2.gz FXXKETCSEXPTPL-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn(CC2CC(C)C2)c1=O ZINC000877879464 590436546 /nfs/dbraw/zinc/43/65/46/590436546.db2.gz FCWRFXKYPWYUIQ-UHFFFAOYSA-N 0 0 236.271 2.111 20 5 BEBDRN C=C/C=C\CCn1c(C)ccc([N+](=O)[O-])c1=O ZINC000877881247 590437744 /nfs/dbraw/zinc/43/77/44/590437744.db2.gz DBWQDYGSZKYEHD-PLNGDYQASA-N 0 0 234.255 2.197 20 5 BEBDRN Cc1cc(=O)n(CC2CC(C)C2)cc1[N+](=O)[O-] ZINC000877889471 590440061 /nfs/dbraw/zinc/44/00/61/590440061.db2.gz YPELQQXBUJDOFK-UHFFFAOYSA-N 0 0 236.271 2.111 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CC1CC(C)C1 ZINC000877890645 590440733 /nfs/dbraw/zinc/44/07/33/590440733.db2.gz MKFGETISXPAKLT-UHFFFAOYSA-N 0 0 236.271 2.111 20 5 BEBDRN O=[N+]([O-])c1ccnn1CCc1cccs1 ZINC000128018926 590879600 /nfs/dbraw/zinc/87/96/00/590879600.db2.gz VYLNRAGUYJQNIW-UHFFFAOYSA-N 0 0 223.257 2.096 20 5 BEBDRN O=C(NC[C@H]1C=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000881490396 591215555 /nfs/dbraw/zinc/21/55/55/591215555.db2.gz LVNMZNPHBMXHBL-JTQLQIEISA-N 0 0 246.266 2.291 20 5 BEBDRN CCCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881735153 591268125 /nfs/dbraw/zinc/26/81/25/591268125.db2.gz CGZYSJWXFIBBRV-UHFFFAOYSA-N 0 0 213.212 2.341 20 5 BEBDRN C[C@H]1C[C@H]1CNc1ccnc(F)c1[N+](=O)[O-] ZINC000881808071 591272644 /nfs/dbraw/zinc/27/26/44/591272644.db2.gz LYGOAWXBFYLSTQ-BQBZGAKWSA-N 0 0 225.223 2.197 20 5 BEBDRN CC(C)[C@H](O)CCOc1ccc([N+](=O)[O-])cc1 ZINC000882034219 591289404 /nfs/dbraw/zinc/28/94/04/591289404.db2.gz OSKCTBVDEXSJFN-GFCCVEGCSA-N 0 0 239.271 2.381 20 5 BEBDRN CC[C@@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000882077746 591294464 /nfs/dbraw/zinc/29/44/64/591294464.db2.gz HRAIIWAZQYRZCH-MRVPVSSYSA-N 0 0 239.250 2.365 20 5 BEBDRN O=[N+]([O-])c1ncn(CC[C@@H]2CCCC2(F)F)n1 ZINC000882107828 591299359 /nfs/dbraw/zinc/29/93/59/591299359.db2.gz QBZGJVCWIHRCRB-ZETCQYMHSA-N 0 0 246.217 2.012 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1N1CCC[C@H](F)C1 ZINC000882311359 591328080 /nfs/dbraw/zinc/32/80/80/591328080.db2.gz LNJJNYZTXTYYAA-ZETCQYMHSA-N 0 0 243.213 2.067 20 5 BEBDRN CC12CC(C1)CN2c1ccnc(F)c1[N+](=O)[O-] ZINC000882641781 591405478 /nfs/dbraw/zinc/40/54/78/591405478.db2.gz RBFOTPYHFHBZSE-UHFFFAOYSA-N 0 0 237.234 2.118 20 5 BEBDRN O=[N+]([O-])c1ccnn1C/C(Cl)=C/Cl ZINC000129873937 591415266 /nfs/dbraw/zinc/41/52/66/591415266.db2.gz NSMJLJAXOWOWGS-HYXAFXHYSA-N 0 0 222.031 2.110 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(SC[C@@H](C)O)c1 ZINC000882737316 591424238 /nfs/dbraw/zinc/42/42/38/591424238.db2.gz HVHZYQQXYZLHBT-MRVPVSSYSA-N 0 0 227.285 2.376 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](CF)C2)nc1 ZINC000882800812 591442213 /nfs/dbraw/zinc/44/22/13/591442213.db2.gz PWXGDDVDUBPGNU-SECBINFHSA-N 0 0 239.250 2.176 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@H](CF)C2)s1 ZINC000882802818 591444063 /nfs/dbraw/zinc/44/40/63/591444063.db2.gz RJNHRBZWSKFSDU-SSDOTTSWSA-N 0 0 245.279 2.237 20 5 BEBDRN O=[N+]([O-])c1sccc1N1CC[C@@H](CF)C1 ZINC000882838201 591450099 /nfs/dbraw/zinc/45/00/99/591450099.db2.gz AJWRWYKOEQWJNA-ZETCQYMHSA-N 0 0 230.264 2.452 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1CC[C@H](CF)C1 ZINC000882841590 591452642 /nfs/dbraw/zinc/45/26/42/591452642.db2.gz ZVAYZVNAPBQSHS-SSDOTTSWSA-N 0 0 230.264 2.452 20 5 BEBDRN CCN1CC[C@@H]1CNc1sccc1[N+](=O)[O-] ZINC000882960329 591482966 /nfs/dbraw/zinc/48/29/66/591482966.db2.gz GXZFVMWOAXKGIZ-MRVPVSSYSA-N 0 0 241.316 2.162 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[C@@H]3C2)c1 ZINC000884588290 591988522 /nfs/dbraw/zinc/98/85/22/591988522.db2.gz DCVDLHCCZHNAKB-AOOOYVTPSA-N 0 0 218.256 2.359 20 5 BEBDRN CCOc1cccc(N2C[C@@H]3C[C@@H]3C2)c1[N+](=O)[O-] ZINC000884589712 591989145 /nfs/dbraw/zinc/98/91/45/591989145.db2.gz HLQODPFVRYHWOJ-AOOOYVTPSA-N 0 0 248.282 2.450 20 5 BEBDRN CN(CCCF)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000884856587 592024860 /nfs/dbraw/zinc/02/48/60/592024860.db2.gz HGMZYLSKWRCBNF-UHFFFAOYSA-N 0 0 247.657 2.439 20 5 BEBDRN Cc1nc(N(C)CCCF)ccc1[N+](=O)[O-] ZINC000884856616 592024918 /nfs/dbraw/zinc/02/49/18/592024918.db2.gz HTOGKKPJRWBODZ-UHFFFAOYSA-N 0 0 227.239 2.094 20 5 BEBDRN CN(CCCF)c1ncc([N+](=O)[O-])cc1Cl ZINC000884856395 592025003 /nfs/dbraw/zinc/02/50/03/592025003.db2.gz CBRQXGBMCRZWTP-UHFFFAOYSA-N 0 0 247.657 2.439 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCCF)c1C ZINC000885424162 592077868 /nfs/dbraw/zinc/07/78/68/592077868.db2.gz LVMQYBUNZAMDEL-UHFFFAOYSA-N 0 0 241.218 2.338 20 5 BEBDRN C/C=C/C(=O)NC[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000887399713 592502084 /nfs/dbraw/zinc/50/20/84/592502084.db2.gz ZXNJHYSGRFZXPB-QLCVYAKKSA-N 0 0 248.282 2.391 20 5 BEBDRN O=C(CCCCCc1cccs1)NO ZINC000198524336 634437578 /nfs/dbraw/zinc/43/75/78/634437578.db2.gz IRIFEGKJLBTTKO-UHFFFAOYSA-N 0 0 213.302 2.356 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)c(CNCCF)c1 ZINC000308806645 631667307 /nfs/dbraw/zinc/66/73/07/631667307.db2.gz OULVIABEVKZJQJ-UHFFFAOYSA-N 0 0 232.642 2.307 20 5 BEBDRN C/C=C/C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000108260599 635741456 /nfs/dbraw/zinc/74/14/56/635741456.db2.gz PASDNUZETXYXHE-SGRBOOSSSA-N 0 0 234.255 2.348 20 5 BEBDRN CCOc1ccc(Br)nc1[N+](=O)[O-] ZINC000306383465 635964831 /nfs/dbraw/zinc/96/48/31/635964831.db2.gz YQSIWQDXSXYGPV-UHFFFAOYSA-N 0 0 247.048 2.151 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC[C@@H]2C(F)F)cc1 ZINC000895438182 636142695 /nfs/dbraw/zinc/14/26/95/636142695.db2.gz ZCIRIEOSFNFKFO-SNVBAGLBSA-N 0 0 242.225 2.434 20 5 BEBDRN C[C@H]1CSC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000309113845 635219382 /nfs/dbraw/zinc/21/93/82/635219382.db2.gz KQNXRRWAACSYKO-NTSWFWBYSA-N 0 0 245.329 2.215 20 5 BEBDRN C[C@H]1CCN1c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804374551 635690578 /nfs/dbraw/zinc/69/05/78/635690578.db2.gz AAKRZIPPYRYVHC-ZETCQYMHSA-N 0 0 237.215 2.102 20 5 BEBDRN COCCNc1cc([N+](=O)[O-])c(C)cc1C ZINC000304590348 635945450 /nfs/dbraw/zinc/94/54/50/635945450.db2.gz KYADJJMKIHNOMB-UHFFFAOYSA-N 0 0 224.260 2.270 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(S[C@@H](C)CCO)n1 ZINC000088036482 636264479 /nfs/dbraw/zinc/26/44/79/636264479.db2.gz ZIOWIBXCEGRYSJ-QMMMGPOBSA-N 0 0 242.300 2.161 20 5 BEBDRN O=[N+]([O-])c1ccccc1NCC[C@H](O)C1CC1 ZINC000897387044 636568571 /nfs/dbraw/zinc/56/85/71/636568571.db2.gz BKIMRHWKYBQBRO-LBPRGKRZSA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@@H]2CCOC2)cc1F ZINC000110049146 636762706 /nfs/dbraw/zinc/76/27/06/636762706.db2.gz QXMCHZWHUBVUHS-MRVPVSSYSA-N 0 0 241.218 2.149 20 5 BEBDRN O=[N+]([O-])CCNC1(c2cccc(Cl)c2)CC1 ZINC000930226465 639644189 /nfs/dbraw/zinc/64/41/89/639644189.db2.gz LPXPPJAEEJQNSX-UHFFFAOYSA-N 0 0 240.690 2.195 20 5 BEBDRN Cc1cc(C(=O)Oc2cccc([N+](=O)[O-])c2)no1 ZINC000911699507 639733643 /nfs/dbraw/zinc/73/36/43/639733643.db2.gz RSCNGFTYFOZDBD-UHFFFAOYSA-N 0 0 248.194 2.110 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000151182749 640328566 /nfs/dbraw/zinc/32/85/66/640328566.db2.gz ASWVEEFNGSZDMV-MWLCHTKSSA-N 0 0 249.266 2.337 20 5 BEBDRN CCCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000164059851 640439657 /nfs/dbraw/zinc/43/96/57/640439657.db2.gz YCAIARILQHOIQV-UHFFFAOYSA-N 0 0 242.662 2.388 20 5 BEBDRN O=C(CCCOc1ccc2c(c1)CCCC2)NO ZINC000060075913 640845102 /nfs/dbraw/zinc/84/51/02/640845102.db2.gz QANGWWOIQXYUBE-UHFFFAOYSA-N 0 0 249.310 2.230 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1C/C(Cl)=C/Cl ZINC000174135920 641249604 /nfs/dbraw/zinc/24/96/04/641249604.db2.gz CTAOJGOCOWEYOH-UTCJRWHESA-N 0 0 249.053 2.076 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)C1=CCCCO1 ZINC000174171575 641254217 /nfs/dbraw/zinc/25/42/17/641254217.db2.gz JDHMJQOHOOCXNY-UHFFFAOYSA-N 0 0 248.238 2.228 20 5 BEBDRN CC(C)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000088522940 641363531 /nfs/dbraw/zinc/36/35/31/641363531.db2.gz DCCGCNUDVLGVGT-UHFFFAOYSA-N 0 0 206.245 2.366 20 5 BEBDRN C[C@H](Nc1nc2ccccn2c1[N+](=O)[O-])C1CC1 ZINC000030773295 641525918 /nfs/dbraw/zinc/52/59/18/641525918.db2.gz SVFJOXYUGWLFBS-QMMMGPOBSA-N 0 0 246.270 2.453 20 5 BEBDRN C[C@@H]1CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000914164307 641600443 /nfs/dbraw/zinc/60/04/43/641600443.db2.gz CHGMTIPQCMYCQO-LJJSCBMDSA-N 0 0 246.266 2.229 20 5 BEBDRN O=[N+]([O-])c1cnn(CN2CCCCCCC2)c1 ZINC000075581543 641762896 /nfs/dbraw/zinc/76/28/96/641762896.db2.gz NYRTWAXFUIKWEG-UHFFFAOYSA-N 0 0 238.291 2.015 20 5 BEBDRN CC(F)(F)CCCn1nccc1[N+](=O)[O-] ZINC000916723473 641969852 /nfs/dbraw/zinc/96/98/52/641969852.db2.gz SWUNXIUWVAQTBQ-UHFFFAOYSA-N 0 0 219.191 2.227 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1Cc1cnc(C2CC2)o1 ZINC000916772874 641977840 /nfs/dbraw/zinc/97/78/40/641977840.db2.gz LRBIATUUTXMSSQ-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN Cc1ccc(OCCn2ccnc2[N+](=O)[O-])cc1 ZINC000918344225 642188863 /nfs/dbraw/zinc/18/88/63/642188863.db2.gz ZXYZGJDHNYCADZ-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN Cc1cccc(C)c1Cn1ccnc1[N+](=O)[O-] ZINC000918369485 642188925 /nfs/dbraw/zinc/18/89/25/642188925.db2.gz RRSBYSZXVCIWBS-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN O=[N+]([O-])c1nccn1C1CC2(CCC2)C1 ZINC000918395872 642190979 /nfs/dbraw/zinc/19/09/79/642190979.db2.gz BCHDZKGZKDOAPO-UHFFFAOYSA-N 0 0 207.233 2.297 20 5 BEBDRN O=[N+]([O-])c1nccn1C[C@@H]1CCC(F)(F)C1 ZINC000918377059 642191563 /nfs/dbraw/zinc/19/15/63/642191563.db2.gz BAYYYCFRJWOXPO-SSDOTTSWSA-N 0 0 231.202 2.227 20 5 BEBDRN CCC(=O)CCSc1ccc([N+](=O)[O-])cn1 ZINC000160350028 643523305 /nfs/dbraw/zinc/52/33/05/643523305.db2.gz KAFGUWQTOZVMGS-UHFFFAOYSA-N 0 0 240.284 2.451 20 5 BEBDRN CC(=O)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000049918396 643555946 /nfs/dbraw/zinc/55/59/46/643555946.db2.gz PVCSNOQJTVLSDK-UHFFFAOYSA-N 0 0 229.619 2.216 20 5 BEBDRN CC1(COc2cc(F)ccc2[N+](=O)[O-])COC1 ZINC000735794251 643562396 /nfs/dbraw/zinc/56/23/96/643562396.db2.gz GGRAAGCRPPUIQN-UHFFFAOYSA-N 0 0 241.218 2.149 20 5 BEBDRN C[C@H](CO)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000155108726 644056668 /nfs/dbraw/zinc/05/66/68/644056668.db2.gz TWMJBIWIIQKQBE-SSDOTTSWSA-N 0 0 245.662 2.255 20 5 BEBDRN CCOCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000057952394 644159199 /nfs/dbraw/zinc/15/91/99/644159199.db2.gz OZADPTZGZVNLBF-UHFFFAOYSA-N 0 0 229.207 2.149 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@@H]1C[C@H]1C ZINC000079209201 644163201 /nfs/dbraw/zinc/16/32/01/644163201.db2.gz SCZZJMRYUSBFGU-PSASIEDQSA-N 0 0 235.239 2.465 20 5 BEBDRN CC(=O)CCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000192633020 644169694 /nfs/dbraw/zinc/16/96/94/644169694.db2.gz LLKVINVCYJQUPT-UHFFFAOYSA-N 0 0 236.271 2.006 20 5 BEBDRN COC(OC)[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000079615307 644199087 /nfs/dbraw/zinc/19/90/87/644199087.db2.gz CKOVIUHUQWDDBL-MRVPVSSYSA-N 0 0 240.259 2.014 20 5 BEBDRN C[C@@H](NCc1ncc[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000080582015 644277201 /nfs/dbraw/zinc/27/72/01/644277201.db2.gz TUKMHCPYAJBSKU-SECBINFHSA-N 0 0 246.270 2.169 20 5 BEBDRN CCCOC(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000082404060 644374971 /nfs/dbraw/zinc/37/49/71/644374971.db2.gz WNFJALIZRWSTDP-UHFFFAOYSA-N 0 0 227.191 2.301 20 5 BEBDRN O=C(CCc1cccc([N+](=O)[O-])c1)OCC1CC1 ZINC000088805532 644530323 /nfs/dbraw/zinc/53/03/23/644530323.db2.gz HKLYTYRQRJNSCJ-UHFFFAOYSA-N 0 0 249.266 2.481 20 5 BEBDRN CC(C)[C@@H](O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000304211786 644876619 /nfs/dbraw/zinc/87/66/19/644876619.db2.gz NPRKMYDLKONTQY-NSHDSACASA-N 0 0 243.234 2.130 20 5 BEBDRN C/C=C/C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000928246569 645720393 /nfs/dbraw/zinc/72/03/93/645720393.db2.gz HSPFMYXVKGYNJX-CDAZIORVSA-N 0 0 234.255 2.348 20 5 BEBDRN CC(C)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929087621 645934544 /nfs/dbraw/zinc/93/45/44/645934544.db2.gz CNWQVHZDWIXNMK-NWDGAFQWSA-N 0 0 248.282 2.223 20 5 BEBDRN Cc1ccc([C@H]2CCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000929089403 645935462 /nfs/dbraw/zinc/93/54/62/645935462.db2.gz UKQZVJQUSMJNPS-CYBMUJFWSA-N 0 0 234.299 2.409 20 5 BEBDRN CCCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000929221932 646020306 /nfs/dbraw/zinc/02/03/06/646020306.db2.gz PPIRKDFHBFJFOC-NEPJUHHUSA-N 0 0 248.282 2.225 20 5 BEBDRN CN(CC[N+](=O)[O-])Cc1ccc(F)cc1Cl ZINC000929599307 646190215 /nfs/dbraw/zinc/19/02/15/646190215.db2.gz SXASSFQLDQDIAU-UHFFFAOYSA-N 0 0 246.669 2.188 20 5 BEBDRN CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C ZINC000929813148 646332656 /nfs/dbraw/zinc/33/26/56/646332656.db2.gz NBRZATWXCJHHQF-UHFFFAOYSA-N 0 0 240.284 2.019 20 5 BEBDRN CCc1ccc([N+](=O)[O-])cc1NC(=O)C(F)F ZINC000310084804 711703071 /nfs/dbraw/zinc/70/30/71/711703071.db2.gz AAAXYTPURRYUKY-UHFFFAOYSA-N 0 0 244.197 2.361 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1C=CCC1 ZINC000700561490 711996212 /nfs/dbraw/zinc/99/62/12/711996212.db2.gz LATYKMPOUGKMEE-SSDOTTSWSA-N 0 0 239.662 2.196 20 5 BEBDRN CC(C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037285975 712567208 /nfs/dbraw/zinc/56/72/08/712567208.db2.gz LGAHBUAPAGMYAC-UHFFFAOYSA-N 0 0 240.234 2.214 20 5 BEBDRN C[C@@H]1C[C@@H]1COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000722673490 711463543 /nfs/dbraw/zinc/46/35/43/711463543.db2.gz IGDXGNJVOCMZII-PSASIEDQSA-N 0 0 235.239 2.442 20 5 BEBDRN Cc1cn(C)nc1CNc1cccc([N+](=O)[O-])c1 ZINC000723490321 711513114 /nfs/dbraw/zinc/51/31/14/711513114.db2.gz IKZSUDOYGIIGHI-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC12CC(O)C2 ZINC000724990126 711641116 /nfs/dbraw/zinc/64/11/16/711641116.db2.gz JEEZLDBVMVFJMM-YDGIUTOCSA-N 0 0 248.282 2.229 20 5 BEBDRN CCOc1ccc([N+](=O)[O-])cc1NCCOC ZINC000905106844 711812513 /nfs/dbraw/zinc/81/25/13/711812513.db2.gz QCXBOVCGDRRVJG-UHFFFAOYSA-N 0 0 240.259 2.052 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1NC1CSC1 ZINC000702368344 712048569 /nfs/dbraw/zinc/04/85/69/712048569.db2.gz YMJYBILAVHTURO-UHFFFAOYSA-N 0 0 245.691 2.171 20 5 BEBDRN CCCOCOc1cc(C=O)ccc1[N+](=O)[O-] ZINC000709720796 712216671 /nfs/dbraw/zinc/21/66/71/712216671.db2.gz SUHAZNZUGHIMHL-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC[C@H]1C=CCC1 ZINC000711677342 712315842 /nfs/dbraw/zinc/31/58/42/712315842.db2.gz ANBZUJAJXMVRRO-VIFPVBQESA-N 0 0 219.244 2.368 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC[C@@H]1C=CCC1 ZINC000711677341 712315865 /nfs/dbraw/zinc/31/58/65/712315865.db2.gz ANBZUJAJXMVRRO-SECBINFHSA-N 0 0 219.244 2.368 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2C=CCC2)cn1 ZINC000711681098 712316705 /nfs/dbraw/zinc/31/67/05/712316705.db2.gz UIXWDIMJMHVYPK-SECBINFHSA-N 0 0 219.244 2.368 20 5 BEBDRN C=C/C=C\CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000713459400 712460676 /nfs/dbraw/zinc/46/06/76/712460676.db2.gz CNUCBYQUMMOFQF-WAYWQWQTSA-N 0 0 236.275 2.181 20 5 BEBDRN CCCOC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000714012305 712477469 /nfs/dbraw/zinc/47/74/69/712477469.db2.gz BKXISYDBQSWOKY-UHFFFAOYSA-N 0 0 227.191 2.301 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000715353707 712521435 /nfs/dbraw/zinc/52/14/35/712521435.db2.gz PFGXEKWJMWIIEK-JTQLQIEISA-N 0 0 249.226 2.467 20 5 BEBDRN COCOCCCNc1ccc([N+](=O)[O-])cc1 ZINC000717653937 712663064 /nfs/dbraw/zinc/66/30/64/712663064.db2.gz PQOKZGOKXAIUDJ-UHFFFAOYSA-N 0 0 240.259 2.017 20 5 BEBDRN CCCC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000005819627 712697403 /nfs/dbraw/zinc/69/74/03/712697403.db2.gz ATOYSNPMELKUBW-UHFFFAOYSA-N 0 0 223.228 2.438 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1cccc(Cl)n1)C1CC1 ZINC001227928046 963629067 /nfs/dbraw/zinc/62/90/67/963629067.db2.gz ROOKVMVTBSWHHR-QMMMGPOBSA-N 0 0 242.662 2.169 20 5 BEBDRN O=[N+]([O-])C[C@@H](OCCc1ccsc1)C1CC1 ZINC001224536314 964767367 /nfs/dbraw/zinc/76/73/67/964767367.db2.gz ZLELVJDZVQSFCH-LLVKDONJSA-N 0 0 241.312 2.363 20 5 BEBDRN CC(=O)[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000041041706 1165777169 /nfs/dbraw/zinc/77/71/69/1165777169.db2.gz IWBXZLQUJUNYLQ-SECBINFHSA-N 0 0 223.228 2.260 20 5 BEBDRN Cc1nc(NC2(C)CC2)ccc1[N+](=O)[O-] ZINC000228887298 1166232085 /nfs/dbraw/zinc/23/20/85/1166232085.db2.gz XTWICQSRYLNLCS-UHFFFAOYSA-N 0 0 207.233 2.263 20 5 BEBDRN COc1cc(F)c([N+](=O)[O-])c(NCCF)c1 ZINC000309878791 1166632355 /nfs/dbraw/zinc/63/23/55/1166632355.db2.gz UOUWKLZEJVPSTP-UHFFFAOYSA-N 0 0 232.186 2.124 20 5 BEBDRN CC(=O)OCCSc1cccc([N+](=O)[O-])c1 ZINC001332286070 975042386 /nfs/dbraw/zinc/04/23/86/975042386.db2.gz YWDVRQZKEKCLKP-UHFFFAOYSA-N 0 0 241.268 2.250 20 5 BEBDRN CC[C@@H](C)[C@H](C)Oc1ncc([N+](=O)[O-])cn1 ZINC001226733020 975052392 /nfs/dbraw/zinc/05/23/92/975052392.db2.gz DWMBPKXRAMVNRV-SFYZADRCSA-N 0 0 225.248 2.198 20 5 BEBDRN CC[C@H](C)Nc1cnc([N+](=O)[O-])c(OC)c1 ZINC001168000558 1167135036 /nfs/dbraw/zinc/13/50/36/1167135036.db2.gz QHTJTSOFGRWMCW-ZETCQYMHSA-N 0 0 225.248 2.209 20 5 BEBDRN CCOC[C@@H](C)Oc1ccccc1[N+](=O)[O-] ZINC001227479731 975458279 /nfs/dbraw/zinc/45/82/79/975458279.db2.gz JJUZKGCSAYROSE-SECBINFHSA-N 0 0 225.244 2.399 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2CCCOC2)cc1F ZINC000225357104 1167442253 /nfs/dbraw/zinc/44/22/53/1167442253.db2.gz JXOYFDYXGROUTM-VIFPVBQESA-N 0 0 241.218 2.292 20 5 BEBDRN CC[C@H](F)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC001337744886 978482058 /nfs/dbraw/zinc/48/20/58/978482058.db2.gz ZSQAOVLSPCUAGF-VIFPVBQESA-N 0 0 227.191 2.248 20 5 BEBDRN CC(C)(COC(=O)[C@H]1CCC[C@H](F)C1)[N+](=O)[O-] ZINC001346350880 980817647 /nfs/dbraw/zinc/81/76/47/980817647.db2.gz UQVXIWIAJLANSF-IUCAKERBSA-N 0 0 247.266 2.113 20 5 BEBDRN CC(=O)[C@@H](C)Oc1cc(F)c(F)cc1[N+](=O)[O-] ZINC001225779931 974680849 /nfs/dbraw/zinc/68/08/49/974680849.db2.gz SGCSKYSWCPZEFM-ZCFIWIBFSA-N 0 0 245.181 2.229 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC[C@H](O)C1CC1 ZINC000402431245 970801012 /nfs/dbraw/zinc/80/10/12/970801012.db2.gz IFEDDEXQIVVOIM-NSHDSACASA-N 0 0 237.255 2.053 20 5 BEBDRN CC(C)Cc1nnc(-c2cccnc2[N+](=O)[O-])o1 ZINC001256481504 970849886 /nfs/dbraw/zinc/84/98/86/970849886.db2.gz QNYGVMSALLSYSL-UHFFFAOYSA-N 0 0 248.242 2.238 20 5 BEBDRN Cc1ccc(-c2nnc(CC[N+](=O)[O-])o2)cc1C ZINC001256525883 970856523 /nfs/dbraw/zinc/85/65/23/970856523.db2.gz RPLYJXDKLXVAFW-UHFFFAOYSA-N 0 0 247.254 2.173 20 5 BEBDRN C[C@H]1C[C@@H]1c1nnc(-c2cncc([N+](=O)[O-])c2)o1 ZINC001256727475 970947523 /nfs/dbraw/zinc/94/75/23/970947523.db2.gz NTLCDJPLLJVBGB-RCOVLWMOSA-N 0 0 246.226 2.163 20 5 BEBDRN CCCCCO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001224662483 973835681 /nfs/dbraw/zinc/83/56/81/973835681.db2.gz ZQTPEQLWADBTTG-JTQLQIEISA-N 0 0 201.266 2.249 20 5 BEBDRN CC[C@@H](C)CO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001224665892 973838690 /nfs/dbraw/zinc/83/86/90/973838690.db2.gz XVHIESIWYPJOQF-PWSUYJOCSA-N 0 0 238.287 2.462 20 5 BEBDRN Cn1cnc(Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC001216480564 971093228 /nfs/dbraw/zinc/09/32/28/971093228.db2.gz FYFZJYRAXYXHHB-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(Nc2ncco2)c1 ZINC001216480496 971093439 /nfs/dbraw/zinc/09/34/39/971093439.db2.gz CIGKOMGSIRVRTB-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN O=C(Nc1ccns1)c1ccccc1[N+](=O)[O-] ZINC001132542148 971373605 /nfs/dbraw/zinc/37/36/05/971373605.db2.gz FQZHLHUIXLWTDH-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN C[C@@H](OCCCO)c1cccc([N+](=O)[O-])c1 ZINC001217888526 971482041 /nfs/dbraw/zinc/48/20/41/971482041.db2.gz VFIAICFUHXYZMG-SECBINFHSA-N 0 0 225.244 2.055 20 5 BEBDRN CCOCc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001257906569 971539771 /nfs/dbraw/zinc/53/97/71/971539771.db2.gz OJHCFDUNOJQDRX-UHFFFAOYSA-N 0 0 249.226 2.181 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1cccc(F)c1)C1CC1 ZINC001225229438 974270732 /nfs/dbraw/zinc/27/07/32/974270732.db2.gz YDDDSPROCWPGLL-NSHDSACASA-N 0 0 225.219 2.260 20 5 BEBDRN Cc1c(C)c([N+](=O)[O-])ccc1OC1CC(O)C1 ZINC001218260307 971663801 /nfs/dbraw/zinc/66/38/01/971663801.db2.gz ORXDLEAAHDZVGV-UHFFFAOYSA-N 0 0 237.255 2.114 20 5 BEBDRN Cc1[nH]c(=O)cc(O[C@@H](C)C(C)C)c1[N+](=O)[O-] ZINC001228687591 1169639432 /nfs/dbraw/zinc/63/94/32/1169639432.db2.gz YPNGQVOILNKILG-QMMMGPOBSA-N 0 0 240.259 2.427 20 5 BEBDRN Cc1cc(C)c(O[C@H]2C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001218360671 971737126 /nfs/dbraw/zinc/73/71/26/971737126.db2.gz RAVXLIRMNXDKMT-MGCOHNPYSA-N 0 0 237.255 2.114 20 5 BEBDRN Cc1cc(F)cc([N+](=O)[O-])c1OC1CC(=O)C1 ZINC001229200847 1169652102 /nfs/dbraw/zinc/65/21/02/1169652102.db2.gz IEMLJLYOGHKFAS-UHFFFAOYSA-N 0 0 239.202 2.153 20 5 BEBDRN CC(=O)[C@@H](C)Oc1c(C)cc(F)cc1[N+](=O)[O-] ZINC001229198470 1169652293 /nfs/dbraw/zinc/65/22/93/1169652293.db2.gz MTVRAYVFUYUFHX-MRVPVSSYSA-N 0 0 241.218 2.399 20 5 BEBDRN O=[N+]([O-])c1cccc(OC2CCC(O)CC2)c1 ZINC001218364893 971748767 /nfs/dbraw/zinc/74/87/67/971748767.db2.gz OWHOFLXORKTITO-UHFFFAOYSA-N 0 0 237.255 2.277 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1O[C@H]1C[C@@H](O)C1 ZINC001218417244 971791332 /nfs/dbraw/zinc/79/13/32/971791332.db2.gz MBLLFXSXTSWRKF-KNVOCYPGSA-N 0 0 243.646 2.150 20 5 BEBDRN Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1C[C@@H](O)C1 ZINC001218420888 971795078 /nfs/dbraw/zinc/79/50/78/971795078.db2.gz ORXDLEAAHDZVGV-AOOOYVTPSA-N 0 0 237.255 2.114 20 5 BEBDRN CCC=CNc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001170775065 971802345 /nfs/dbraw/zinc/80/23/45/971802345.db2.gz XXYFKKGJLXLEBT-ZZXKWVIFSA-N 0 0 247.254 2.174 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2ccc(CO)nc2)c1 ZINC001204440367 957439415 /nfs/dbraw/zinc/43/94/15/957439415.db2.gz WDWAFCGYRSKFEJ-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2cncc(F)c2)cn1 ZINC000706029300 957608000 /nfs/dbraw/zinc/60/80/00/957608000.db2.gz YQYCNPRQGUYMSX-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Nc1ncccn1 ZINC001210443348 957749736 /nfs/dbraw/zinc/74/97/36/957749736.db2.gz COEJWBSBOQLENJ-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN N=CNc1ccc2cc(F)cc([N+](=O)[O-])c2n1 ZINC001167864258 961328749 /nfs/dbraw/zinc/32/87/49/961328749.db2.gz DJEXMHAPKAFOPJ-UHFFFAOYSA-N 0 0 234.190 2.301 20 5 BEBDRN Cc1cccc(O[C@@H]2COC[C@H]2F)c1[N+](=O)[O-] ZINC001225630832 962453765 /nfs/dbraw/zinc/45/37/65/962453765.db2.gz AAWVVRYXSRSHHE-PSASIEDQSA-N 0 0 241.218 2.019 20 5 BEBDRN CC[C@H](COc1cc(C)c([N+](=O)[O-])cn1)OC ZINC001225662528 962571407 /nfs/dbraw/zinc/57/14/07/962571407.db2.gz OBSGTSWKAITTMU-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN COc1ccc(NCC(C)C)nc1[N+](=O)[O-] ZINC001161644650 962973331 /nfs/dbraw/zinc/97/33/31/962973331.db2.gz DFJHBPWVPOGGTI-UHFFFAOYSA-N 0 0 225.248 2.066 20 5 BEBDRN CC(C)(C)C(=N)Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001155180262 963006654 /nfs/dbraw/zinc/00/66/54/963006654.db2.gz OGHHRONNAQNRDH-UHFFFAOYSA-N 0 0 237.263 2.007 20 5 BEBDRN C[C@@H]1CCCN(c2cc([N+](=O)[O-])ccn2)C1 ZINC001155190838 963020141 /nfs/dbraw/zinc/02/01/41/963020141.db2.gz USRCTNJCFXRABM-SECBINFHSA-N 0 0 221.260 2.226 20 5 BEBDRN CC[C@@H](C)Nc1ccc(OC)c([N+](=O)[O-])n1 ZINC001167999959 963215167 /nfs/dbraw/zinc/21/51/67/963215167.db2.gz NQNTWTXAXPXLQA-SSDOTTSWSA-N 0 0 225.248 2.209 20 5 BEBDRN CC[C@H](C)Nc1ccc(OC)c([N+](=O)[O-])n1 ZINC001167999962 963216428 /nfs/dbraw/zinc/21/64/28/963216428.db2.gz NQNTWTXAXPXLQA-ZETCQYMHSA-N 0 0 225.248 2.209 20 5 BEBDRN CC(C)(C)C(=O)CNc1cccc([N+](=O)[O-])n1 ZINC001156053699 963243271 /nfs/dbraw/zinc/24/32/71/963243271.db2.gz MGKFRVBMVCMEFF-UHFFFAOYSA-N 0 0 237.259 2.017 20 5 BEBDRN Cc1cnc(N2CC3CC(C3)C2)c([N+](=O)[O-])c1 ZINC001156888013 963481159 /nfs/dbraw/zinc/48/11/59/963481159.db2.gz UMJDITQJOPBRIS-UHFFFAOYSA-N 0 0 233.271 2.144 20 5 BEBDRN CCCNc1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001157357842 963581370 /nfs/dbraw/zinc/58/13/70/963581370.db2.gz BPABASMMKALERM-UHFFFAOYSA-N 0 0 230.655 2.169 20 5 BEBDRN CCCNc1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001157357409 963582901 /nfs/dbraw/zinc/58/29/01/963582901.db2.gz IWRBATYLLKEQOE-UHFFFAOYSA-N 0 0 232.243 2.360 20 5 BEBDRN Cc1nc(NC[C@H]2C[C@H](F)C2)ccc1[N+](=O)[O-] ZINC001157451499 963608682 /nfs/dbraw/zinc/60/86/82/963608682.db2.gz FFZLMUKLQYGAJS-KYZUINATSA-N 0 0 239.250 2.458 20 5 BEBDRN O=[N+]([O-])c1c(Cl)ccnc1NC1CSC1 ZINC001157576754 963665666 /nfs/dbraw/zinc/66/56/66/963665666.db2.gz DMPRJWKSZAFQSF-UHFFFAOYSA-N 0 0 245.691 2.171 20 5 BEBDRN C[C@@H](Oc1ncc[nH]1)c1ccccc1[N+](=O)[O-] ZINC001228302335 963740170 /nfs/dbraw/zinc/74/01/70/963740170.db2.gz JZOWPHFJGTTWOS-MRVPVSSYSA-N 0 0 233.227 2.458 20 5 BEBDRN CC[C@@H](C)[C@H](C)Oc1ncncc1[N+](=O)[O-] ZINC001228654711 963884480 /nfs/dbraw/zinc/88/44/80/963884480.db2.gz MWXMEMZMZZJUBE-SFYZADRCSA-N 0 0 225.248 2.198 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@H](F)C2)n1 ZINC001168237788 964025491 /nfs/dbraw/zinc/02/54/91/964025491.db2.gz NDUKDFMZKJFVDH-KYZUINATSA-N 0 0 239.250 2.458 20 5 BEBDRN Cc1cc(NCCc2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000714540974 964051510 /nfs/dbraw/zinc/05/15/10/964051510.db2.gz PLMKRQBGCICSQJ-UHFFFAOYSA-N 0 0 246.270 2.281 20 5 BEBDRN O=[N+]([O-])C[C@@H](OCc1ccoc1)c1cccnc1 ZINC001223785234 964243090 /nfs/dbraw/zinc/24/30/90/964243090.db2.gz IXOKKOZHSMCISZ-GFCCVEGCSA-N 0 0 248.238 2.209 20 5 BEBDRN O=[N+]([O-])c1cccc(NC2(C(F)(F)F)CC2)n1 ZINC001160821076 964413728 /nfs/dbraw/zinc/41/37/28/964413728.db2.gz FCMPJHLSIRWQCP-UHFFFAOYSA-N 0 0 247.176 2.497 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)c(NCC2COC2)c1 ZINC001161949397 964832057 /nfs/dbraw/zinc/83/20/57/964832057.db2.gz OKYXMNMPUOQJLK-UHFFFAOYSA-N 0 0 242.662 2.307 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1Oc1ccc(F)cc1 ZINC001161989023 964842085 /nfs/dbraw/zinc/84/20/85/964842085.db2.gz FTFCSJSFZITVII-UHFFFAOYSA-N 0 0 237.190 2.260 20 5 BEBDRN O=[N+]([O-])c1nccnc1N[C@@H]1CCCC[C@H]1F ZINC001162505727 965001503 /nfs/dbraw/zinc/00/15/03/965001503.db2.gz KHYVUBRXFNIPPE-HTQZYQBOSA-N 0 0 240.238 2.077 20 5 BEBDRN CC(C)(C)C(=N)Nc1nccc(N)c1[N+](=O)[O-] ZINC001162660341 965093299 /nfs/dbraw/zinc/09/32/99/965093299.db2.gz JHSKDWFKCFNGMD-UHFFFAOYSA-N 0 0 237.263 2.007 20 5 BEBDRN CC(C)[C@H](C)Sc1nn(C)cc1[N+](=O)[O-] ZINC001162664166 965098895 /nfs/dbraw/zinc/09/88/95/965098895.db2.gz OJRWSRMHOURGDX-ZETCQYMHSA-N 0 0 229.305 2.465 20 5 BEBDRN O=[N+]([O-])c1ncccc1N[C@H]1C=CCC1 ZINC000698236079 965124358 /nfs/dbraw/zinc/12/43/58/965124358.db2.gz VDNMYYPGMVXWBU-QMMMGPOBSA-N 0 0 205.217 2.120 20 5 BEBDRN Cc1cnc(CNc2ccc([N+](=O)[O-])cc2)nc1 ZINC001163566196 965452452 /nfs/dbraw/zinc/45/24/52/965452452.db2.gz RONJYLUFJQBPQY-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CN(C)c1nccc2cc([N+](=O)[O-])ccc21 ZINC001163571812 965455417 /nfs/dbraw/zinc/45/54/17/965455417.db2.gz CUSGVCWJBFBIFS-UHFFFAOYSA-N 0 0 217.228 2.209 20 5 BEBDRN CN(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC001163573085 965458077 /nfs/dbraw/zinc/45/80/77/965458077.db2.gz XAYMRBBIXVBNRE-UHFFFAOYSA-N 0 0 217.228 2.209 20 5 BEBDRN CC(C)N(C)c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001163619413 965482707 /nfs/dbraw/zinc/48/27/07/965482707.db2.gz RBAUQWUWHMZERU-UHFFFAOYSA-N 0 0 246.270 2.383 20 5 BEBDRN CC1(Nc2ncc(F)cc2[N+](=O)[O-])CCC1 ZINC000401108880 965488424 /nfs/dbraw/zinc/48/84/24/965488424.db2.gz SSXJSMOAMUJOCJ-UHFFFAOYSA-N 0 0 225.223 2.483 20 5 BEBDRN Cc1ccnc(N(C)CC(F)(F)F)c1[N+](=O)[O-] ZINC001163706384 965523910 /nfs/dbraw/zinc/52/39/10/965523910.db2.gz MRWMBYDIZPKHNF-UHFFFAOYSA-N 0 0 249.192 2.297 20 5 BEBDRN CCC(=O)[C@H](CC)Oc1ccnc([N+](=O)[O-])c1 ZINC001233857157 965593431 /nfs/dbraw/zinc/59/34/31/965593431.db2.gz KCTLEOJHYQYJOP-JTQLQIEISA-N 0 0 238.243 2.126 20 5 BEBDRN CC(C)CCO[C@H](C[N+](=O)[O-])C1CC1 ZINC001205085106 965616925 /nfs/dbraw/zinc/61/69/25/965616925.db2.gz HXZAOGVOUBYZNN-SNVBAGLBSA-N 0 0 201.266 2.104 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cc(N2CC=CC2)n1 ZINC001163917247 965629692 /nfs/dbraw/zinc/62/96/92/965629692.db2.gz PTISPAQAAAEWGL-UHFFFAOYSA-N 0 0 225.635 2.019 20 5 BEBDRN COc1cc(NC2(C)CCC2)cnc1[N+](=O)[O-] ZINC001164031648 965705732 /nfs/dbraw/zinc/70/57/32/965705732.db2.gz JBQZVIYOIZOCHZ-UHFFFAOYSA-N 0 0 237.259 2.353 20 5 BEBDRN C[C@@H]1CCN(c2cc([N+](=O)[O-])ccn2)C[C@H]1F ZINC001164174356 965775716 /nfs/dbraw/zinc/77/57/16/965775716.db2.gz ZXCNCYFNJMZYIP-PSASIEDQSA-N 0 0 239.250 2.174 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)CC[C@@H](C)SC ZINC001123354957 966136359 /nfs/dbraw/zinc/13/63/59/966136359.db2.gz IFPCMTINADWSGB-BDAKNGLRSA-N 0 0 249.332 2.117 20 5 BEBDRN CC(C)(O)CCOc1ccsc1[N+](=O)[O-] ZINC001166202618 966255190 /nfs/dbraw/zinc/25/51/90/966255190.db2.gz QSSYJCSORHKDRH-UHFFFAOYSA-N 0 0 231.273 2.196 20 5 BEBDRN CN(c1ncc([N+](=O)[O-])cc1F)C(C)(C)C ZINC001166530449 966286575 /nfs/dbraw/zinc/28/65/75/966286575.db2.gz UZXKZIWZRKMGQF-UHFFFAOYSA-N 0 0 227.239 2.364 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2cccnn2)c1 ZINC001204408218 966991382 /nfs/dbraw/zinc/99/13/82/966991382.db2.gz WRZPQZAXVOSMCZ-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN COc1nccnc1Nc1cccc([N+](=O)[O-])c1 ZINC001204416137 966995764 /nfs/dbraw/zinc/99/57/64/966995764.db2.gz QOGILBWCDPIQQT-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2cnns2)c1 ZINC001204440081 966998017 /nfs/dbraw/zinc/99/80/17/966998017.db2.gz QPGMIPMBKZMDSU-UHFFFAOYSA-N 0 0 222.229 2.190 20 5 BEBDRN N#CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001168625541 967118608 /nfs/dbraw/zinc/11/86/08/967118608.db2.gz OYBDWNJJOUQYNV-UHFFFAOYSA-N 0 0 214.184 2.036 20 5 BEBDRN N#CNc1ncc(F)c2cc([N+](=O)[O-])ccc21 ZINC001168626900 967125619 /nfs/dbraw/zinc/12/56/19/967125619.db2.gz ULQAIJAVRVLNMT-UHFFFAOYSA-N 0 0 232.174 2.175 20 5 BEBDRN N#CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001168631207 967141211 /nfs/dbraw/zinc/14/12/11/967141211.db2.gz NSRJJQJYYNVQAN-UHFFFAOYSA-N 0 0 214.184 2.036 20 5 BEBDRN COc1ccc(NCC(C)(F)F)nc1[N+](=O)[O-] ZINC001162227793 967764882 /nfs/dbraw/zinc/76/48/82/967764882.db2.gz BOVOBECCNFBBIO-UHFFFAOYSA-N 0 0 247.201 2.066 20 5 BEBDRN CC(C)(C)ONC(=O)c1ccccc1[N+](=O)[O-] ZINC000134227320 967786125 /nfs/dbraw/zinc/78/61/25/967786125.db2.gz MKNPOZREKBASGP-UHFFFAOYSA-N 0 0 238.243 2.055 20 5 BEBDRN C[C@@H](OCC(C)(C)O)c1ccccc1[N+](=O)[O-] ZINC001206052611 968016788 /nfs/dbraw/zinc/01/67/88/968016788.db2.gz QEHXERJRRZWZKN-SECBINFHSA-N 0 0 239.271 2.443 20 5 BEBDRN CCN(C)c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001163583669 968073689 /nfs/dbraw/zinc/07/36/89/968073689.db2.gz OAMOPYANAOYHBT-UHFFFAOYSA-N 0 0 215.640 2.099 20 5 BEBDRN Cc1cc(Cl)c([N+](=O)[O-])c(N2CC=CC2)n1 ZINC001163916961 968131696 /nfs/dbraw/zinc/13/16/96/968131696.db2.gz GWJHNLRNPYKYPG-UHFFFAOYSA-N 0 0 239.662 2.328 20 5 BEBDRN Cc1nnc(Cc2c(C)cccc2[N+](=O)[O-])o1 ZINC001253421631 969169852 /nfs/dbraw/zinc/16/98/52/969169852.db2.gz ORXSUVNPUAUQDG-UHFFFAOYSA-N 0 0 233.227 2.185 20 5 BEBDRN Cc1nnc(Cc2ccc([N+](=O)[O-])c(F)c2)o1 ZINC001253420957 969170147 /nfs/dbraw/zinc/17/01/47/969170147.db2.gz GTCXEHRSBGFFQL-UHFFFAOYSA-N 0 0 237.190 2.016 20 5 BEBDRN Cc1nnc(-c2ncc(Cl)cc2[N+](=O)[O-])o1 ZINC001253449147 969180249 /nfs/dbraw/zinc/18/02/49/969180249.db2.gz PBGIGPDEEMAEKA-UHFFFAOYSA-N 0 0 240.606 2.002 20 5 BEBDRN Cc1nnc(-c2c(F)ccc([N+](=O)[O-])c2F)o1 ZINC001253456495 969183497 /nfs/dbraw/zinc/18/34/97/969183497.db2.gz HVTPNKPYRXWAMR-UHFFFAOYSA-N 0 0 241.153 2.231 20 5 BEBDRN Cc1nnc(-c2cc(F)c([N+](=O)[O-])c(F)c2)o1 ZINC001253463453 969186541 /nfs/dbraw/zinc/18/65/41/969186541.db2.gz TYQZIQQTJWABQV-UHFFFAOYSA-N 0 0 241.153 2.231 20 5 BEBDRN Cc1nnc(-c2cc(F)cc([N+](=O)[O-])c2F)o1 ZINC001253471042 969188340 /nfs/dbraw/zinc/18/83/40/969188340.db2.gz PMFMRIOJXJUTRA-UHFFFAOYSA-N 0 0 241.153 2.231 20 5 BEBDRN CCc1cc(Nc2ccc(N)c([N+](=O)[O-])c2)on1 ZINC001209934189 969696928 /nfs/dbraw/zinc/69/69/28/969696928.db2.gz DTMJNAKPQUPQDX-UHFFFAOYSA-N 0 0 248.242 2.471 20 5 BEBDRN Nc1ccc(Nc2cnsc2)cc1[N+](=O)[O-] ZINC001209934595 969697563 /nfs/dbraw/zinc/69/75/63/969697563.db2.gz KIYIPKUHJSQJKZ-UHFFFAOYSA-N 0 0 236.256 2.377 20 5 BEBDRN Cc1ncncc1Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001209933928 969697655 /nfs/dbraw/zinc/69/76/55/969697655.db2.gz GLCKLSCIAGDRQT-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN CO[C@@H](C)CNc1cc([N+](=O)[O-])cc(F)c1C ZINC001169778465 969843297 /nfs/dbraw/zinc/84/32/97/969843297.db2.gz QFHWWFKANMJERT-ZETCQYMHSA-N 0 0 242.250 2.489 20 5 BEBDRN Cc1cnc(Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC001210393014 969881478 /nfs/dbraw/zinc/88/14/78/969881478.db2.gz TYEQNVCKDBMRFO-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Nc1ncco1 ZINC001210443254 969889477 /nfs/dbraw/zinc/88/94/77/969889477.db2.gz APAJEDQBQKKZPC-UHFFFAOYSA-N 0 0 235.199 2.335 20 5 BEBDRN CCc1nnc(-c2ccc(F)c([N+](=O)[O-])c2)o1 ZINC001255131530 969946715 /nfs/dbraw/zinc/94/67/15/969946715.db2.gz BDYROPXCKNIEAD-UHFFFAOYSA-N 0 0 237.190 2.346 20 5 BEBDRN O=[N+]([O-])c1ccnc(-c2nnc(C3CCC3)o2)c1 ZINC001255160804 969971016 /nfs/dbraw/zinc/97/10/16/969971016.db2.gz DXXDILUWRXFMDJ-UHFFFAOYSA-N 0 0 246.226 2.307 20 5 BEBDRN O=[N+]([O-])c1cccnc1-c1nnc(C2CCC2)o1 ZINC001255226391 970008185 /nfs/dbraw/zinc/00/81/85/970008185.db2.gz WAGHOONXNBNAJK-UHFFFAOYSA-N 0 0 246.226 2.307 20 5 BEBDRN Nc1cccn1-c1ccc(F)cc1[N+](=O)[O-] ZINC001210952210 970090083 /nfs/dbraw/zinc/09/00/83/970090083.db2.gz BAHRCVPDKPELAU-UHFFFAOYSA-N 0 0 221.191 2.107 20 5 BEBDRN CC[C@@H](C)Nc1cc(OC)c([N+](=O)[O-])cn1 ZINC001157229807 970159554 /nfs/dbraw/zinc/15/95/54/970159554.db2.gz CAHXBQWSUVCMLP-SSDOTTSWSA-N 0 0 225.248 2.209 20 5 BEBDRN Cc1nonc1Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001211190088 970169870 /nfs/dbraw/zinc/16/98/70/970169870.db2.gz KPVIREQZSLLFBI-UHFFFAOYSA-N 0 0 238.178 2.169 20 5 BEBDRN CCCNc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001157357276 970209267 /nfs/dbraw/zinc/20/92/67/970209267.db2.gz DCNOIECOKLLKLG-UHFFFAOYSA-N 0 0 232.243 2.360 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1cn(C)cn1 ZINC001211284750 970217407 /nfs/dbraw/zinc/21/74/07/970217407.db2.gz LUFMELWBROMNFM-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@H](F)C1 ZINC001157451980 970310864 /nfs/dbraw/zinc/31/08/64/970310864.db2.gz XIAWLJKJMIBSBB-KYZUINATSA-N 0 0 239.250 2.458 20 5 BEBDRN Cc1ccc(Nc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC001213659978 970368419 /nfs/dbraw/zinc/36/84/19/970368419.db2.gz KMBOAACVKOCPTF-UHFFFAOYSA-N 0 0 229.239 2.464 20 5 BEBDRN Cc1ccc(Nc2cnccn2)c([N+](=O)[O-])c1 ZINC001214165070 970444687 /nfs/dbraw/zinc/44/46/87/970444687.db2.gz KSTMCQDNHBNGAP-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ccc(Nc2ccnn2C)c([N+](=O)[O-])c1 ZINC001214165235 970445498 /nfs/dbraw/zinc/44/54/98/970445498.db2.gz OQOKZNPIDZZTEM-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN C[C@@H](OC1COC1)c1ccccc1[N+](=O)[O-] ZINC001222687799 972634359 /nfs/dbraw/zinc/63/43/59/972634359.db2.gz QYXVQJLGWHMMCX-MRVPVSSYSA-N 0 0 223.228 2.071 20 5 BEBDRN C[C@H](OC1COC1)c1ccccc1[N+](=O)[O-] ZINC001222687810 972636104 /nfs/dbraw/zinc/63/61/04/972636104.db2.gz QYXVQJLGWHMMCX-QMMMGPOBSA-N 0 0 223.228 2.071 20 5 BEBDRN O=[N+]([O-])c1cccc(COC2CCOCC2)c1 ZINC001222768560 972690140 /nfs/dbraw/zinc/69/01/40/972690140.db2.gz KZWXNZILBGNQQX-UHFFFAOYSA-N 0 0 237.255 2.290 20 5 BEBDRN CC[C@@H](Nc1ncc([N+](=O)[O-])c(C)n1)C1CC1 ZINC001327708420 972703791 /nfs/dbraw/zinc/70/37/91/972703791.db2.gz KOFCGLNHCOPDAI-SECBINFHSA-N 0 0 236.275 2.294 20 5 BEBDRN Cc1cccc(COC2CC(=O)C2)c1[N+](=O)[O-] ZINC001223661520 973219236 /nfs/dbraw/zinc/21/92/36/973219236.db2.gz RLMCDHGOJUWDAX-UHFFFAOYSA-N 0 0 235.239 2.151 20 5 BEBDRN O=[N+]([O-])c1ccc(CO[C@H]2C[C@H]3C=C[C@@H]2C3)cn1 ZINC001224109084 973449357 /nfs/dbraw/zinc/44/93/57/973449357.db2.gz NEMQVEGAWNAVBQ-WCQGTBRESA-N 0 0 246.266 2.471 20 5 BEBDRN CC[C@H](C)CO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001224664466 973838345 /nfs/dbraw/zinc/83/83/45/973838345.db2.gz PJHANJLKJJDNCP-WPRPVWTQSA-N 0 0 201.266 2.104 20 5 BEBDRN CCCCCO[C@H](C[N+](=O)[O-])C1CC1 ZINC001224662484 973836141 /nfs/dbraw/zinc/83/61/41/973836141.db2.gz ZQTPEQLWADBTTG-SNVBAGLBSA-N 0 0 201.266 2.249 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)nc1OC1CC1 ZINC000713279355 974003256 /nfs/dbraw/zinc/00/32/56/974003256.db2.gz BJRYVDOWVMERDH-UHFFFAOYSA-N 0 0 214.608 2.184 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1cccnc1 ZINC001248746466 974140655 /nfs/dbraw/zinc/14/06/55/974140655.db2.gz LUSHNNAVENUMBM-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1cc(F)cc(F)c1)C1CC1 ZINC001225226678 974267593 /nfs/dbraw/zinc/26/75/93/974267593.db2.gz UCYJMPLCGYHQJH-LLVKDONJSA-N 0 0 243.209 2.399 20 5 BEBDRN Cc1cccc(O[C@H](C[N+](=O)[O-])C2CC2)c1 ZINC001225242273 974299993 /nfs/dbraw/zinc/29/99/93/974299993.db2.gz QTGNQRAMNSTTOJ-GFCCVEGCSA-N 0 0 221.256 2.429 20 5 BEBDRN O=[N+]([O-])c1cc(OC2CCOCC2)ccc1F ZINC001225383391 974458307 /nfs/dbraw/zinc/45/83/07/974458307.db2.gz ZMYYPHMNACSMAX-UHFFFAOYSA-N 0 0 241.218 2.292 20 5 BEBDRN CCc1ncccc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001225454801 974502348 /nfs/dbraw/zinc/50/23/48/974502348.db2.gz ASMAGHWORSQUHC-LBPRGKRZSA-N 0 0 236.271 2.078 20 5 BEBDRN C[C@H](Oc1cccnc1[N+](=O)[O-])C1CC1 ZINC001225628603 974602697 /nfs/dbraw/zinc/60/26/97/974602697.db2.gz PWCZMLNLTRMCDD-ZETCQYMHSA-N 0 0 208.217 2.167 20 5 BEBDRN CCCOC[C@@H](C)Oc1cccnc1[N+](=O)[O-] ZINC001225629108 974604914 /nfs/dbraw/zinc/60/49/14/974604914.db2.gz DUDMRHQKMLREBA-SECBINFHSA-N 0 0 240.259 2.184 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@H]2CCC=CO2)nc1 ZINC001225628180 974605339 /nfs/dbraw/zinc/60/53/39/974605339.db2.gz OABSARVBUXOPPM-SNVBAGLBSA-N 0 0 236.227 2.061 20 5 BEBDRN Cc1cnc(N2Cc3ccc([N+](=O)[O-])cc3C2)o1 ZINC001331130665 974615319 /nfs/dbraw/zinc/61/53/19/974615319.db2.gz AFKZHEUOJCOTMG-UHFFFAOYSA-N 0 0 245.238 2.411 20 5 BEBDRN CC(C)[C@H](C)Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225666516 974634373 /nfs/dbraw/zinc/63/43/73/974634373.db2.gz JYGGEEGFSCFKOR-ZETCQYMHSA-N 0 0 226.232 2.119 20 5 BEBDRN C[C@H]1CC[C@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225665971 974635372 /nfs/dbraw/zinc/63/53/72/974635372.db2.gz DVBWUANJSYEKCS-YUMQZZPRSA-N 0 0 238.243 2.263 20 5 BEBDRN CCC(CC)Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225667975 974635951 /nfs/dbraw/zinc/63/59/51/974635951.db2.gz XMCDRWPBAMKTBM-UHFFFAOYSA-N 0 0 226.232 2.263 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CC[C@@H](CF)C1 ZINC001331269758 974665874 /nfs/dbraw/zinc/66/58/74/974665874.db2.gz NKGUXRNAUPIIIH-VIFPVBQESA-N 0 0 239.250 2.094 20 5 BEBDRN C=C/C=C/CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC001331268199 974666466 /nfs/dbraw/zinc/66/64/66/974666466.db2.gz ATOCQNCMXPFRAY-SNAWJCMRSA-N 0 0 234.259 2.237 20 5 BEBDRN CC(=O)c1ccc([N+](=O)[O-])c(OC2CC2)c1 ZINC001225803557 974689115 /nfs/dbraw/zinc/68/91/15/974689115.db2.gz DZOIYQHGPPRZHH-UHFFFAOYSA-N 0 0 221.212 2.339 20 5 BEBDRN CC(=O)c1cccc(O[C@@H](C[N+](=O)[O-])C2CC2)c1 ZINC001225814659 974694067 /nfs/dbraw/zinc/69/40/67/974694067.db2.gz PYVMZRSNUIVQPJ-ZDUSSCGKSA-N 0 0 249.266 2.323 20 5 BEBDRN CC(=O)[C@@H](C)Oc1c(F)c(F)ccc1[N+](=O)[O-] ZINC001225964393 974744510 /nfs/dbraw/zinc/74/45/10/974744510.db2.gz ZJJBIPPKODOKJR-ZCFIWIBFSA-N 0 0 245.181 2.229 20 5 BEBDRN Cc1ccnc(OC2CC=CC2)c1[N+](=O)[O-] ZINC001226116451 974798969 /nfs/dbraw/zinc/79/89/69/974798969.db2.gz QTXBPNMQYFATSK-UHFFFAOYSA-N 0 0 220.228 2.396 20 5 BEBDRN O=[N+]([O-])c1cc(OC[C@@H]2CCO2)c(F)cc1F ZINC001226192565 974825317 /nfs/dbraw/zinc/82/53/17/974825317.db2.gz WXFMBTHHTFWKPZ-LURJTMIESA-N 0 0 245.181 2.041 20 5 BEBDRN O=[N+]([O-])c1cccc(O)c1OC1CCC1 ZINC001226336963 974863177 /nfs/dbraw/zinc/86/31/77/974863177.db2.gz UJWHJMBFIWNNPZ-UHFFFAOYSA-N 0 0 209.201 2.232 20 5 BEBDRN CCOC[C@@H](C)Oc1c(O)cccc1[N+](=O)[O-] ZINC001226332552 974863813 /nfs/dbraw/zinc/86/38/13/974863813.db2.gz BYVUTXWEUXSROQ-MRVPVSSYSA-N 0 0 241.243 2.104 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1noc2ccccc21)C1CC1 ZINC001226402567 974885136 /nfs/dbraw/zinc/88/51/36/974885136.db2.gz LLKFFMRCICBBMP-LLVKDONJSA-N 0 0 248.238 2.262 20 5 BEBDRN Cc1nnc(O[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC001226458465 974908533 /nfs/dbraw/zinc/90/85/33/974908533.db2.gz FXBJFQYFCFWOCI-SSDOTTSWSA-N 0 0 249.226 2.426 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@@H]2CCC=CO2)cn1 ZINC001226709873 975042295 /nfs/dbraw/zinc/04/22/95/975042295.db2.gz LUFOIQUPLABIJN-JTQLQIEISA-N 0 0 236.227 2.061 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2COC2)c(Cl)c1 ZINC001226762991 975063205 /nfs/dbraw/zinc/06/32/05/975063205.db2.gz ZZXWECRQNAEQQU-UHFFFAOYSA-N 0 0 229.619 2.026 20 5 BEBDRN CCO[C@H](C)COc1ncc([N+](=O)[O-])cc1C ZINC001226764601 975066748 /nfs/dbraw/zinc/06/67/48/975066748.db2.gz LJLCOCOTYNDSPB-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN O=[N+]([O-])c1cccc(O[C@H]2CCOC[C@@H]2F)c1 ZINC001226767190 975068736 /nfs/dbraw/zinc/06/87/36/975068736.db2.gz HPMSEXJBJINSNO-QWRGUYRKSA-N 0 0 241.218 2.101 20 5 BEBDRN Cc1cc(OC2CC3(COC3)C2)ccc1[N+](=O)[O-] ZINC001226842335 975118020 /nfs/dbraw/zinc/11/80/20/975118020.db2.gz UZQSYUIJDHWRGH-UHFFFAOYSA-N 0 0 249.266 2.461 20 5 BEBDRN Cc1cc(O[C@H]2COC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001226840999 975118085 /nfs/dbraw/zinc/11/80/85/975118085.db2.gz IHFZQOGMTUGJHO-CABZTGNLSA-N 0 0 237.255 2.317 20 5 BEBDRN Cc1ccc(O[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC001226950506 975180732 /nfs/dbraw/zinc/18/07/32/975180732.db2.gz KTEBQZZAMVDJCN-NSHDSACASA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1ccc(O[C@@H]2COC[C@H]2F)cc1[N+](=O)[O-] ZINC001226950729 975180886 /nfs/dbraw/zinc/18/08/86/975180886.db2.gz NBAYNGGRJZMAGY-MWLCHTKSSA-N 0 0 241.218 2.019 20 5 BEBDRN COC[C@H](C)Oc1cc([N+](=O)[O-])ccc1C ZINC001226994779 975211400 /nfs/dbraw/zinc/21/14/00/975211400.db2.gz HMCQVXIWZMOFJW-VIFPVBQESA-N 0 0 225.244 2.317 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCCOC(C)C)n1 ZINC001227062485 975247985 /nfs/dbraw/zinc/24/79/85/975247985.db2.gz NXECQWCDVJCZGJ-UHFFFAOYSA-N 0 0 240.259 2.102 20 5 BEBDRN CC[C@H](C)Oc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001227105676 975279393 /nfs/dbraw/zinc/27/93/93/975279393.db2.gz BTTCIOBBVGGKIF-LURJTMIESA-N 0 0 241.203 2.075 20 5 BEBDRN Cc1cnc(O[C@H]2C=CCC2)c([N+](=O)[O-])c1 ZINC001227237386 975320731 /nfs/dbraw/zinc/32/07/31/975320731.db2.gz UVPHVOGHAGANLW-VIFPVBQESA-N 0 0 220.228 2.396 20 5 BEBDRN O=[N+]([O-])c1ccccc1O[C@@H]1CCCOC1 ZINC001227479412 975463046 /nfs/dbraw/zinc/46/30/46/975463046.db2.gz HOLKDPQDICQGFD-SECBINFHSA-N 0 0 223.228 2.153 20 5 BEBDRN O=[N+]([O-])c1ccccc1O[C@H]1CCOC[C@H]1F ZINC001227484836 975468160 /nfs/dbraw/zinc/46/81/60/975468160.db2.gz ZNGWWESCILXZFH-SCZZXKLOSA-N 0 0 241.218 2.101 20 5 BEBDRN CCO[C@H](C)COc1ccc([N+](=O)[O-])cc1 ZINC001227523183 975500241 /nfs/dbraw/zinc/50/02/41/975500241.db2.gz FZKLSTNDKWDHTA-SECBINFHSA-N 0 0 225.244 2.399 20 5 BEBDRN CO[C@@H](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001227522957 975502921 /nfs/dbraw/zinc/50/29/21/975502921.db2.gz BKTCCVFVLNOILG-VIFPVBQESA-N 0 0 225.244 2.399 20 5 BEBDRN C[C@H]1COC[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC001227521499 975503782 /nfs/dbraw/zinc/50/37/82/975503782.db2.gz RMRLRHKILGMVDO-KWQFWETISA-N 0 0 223.228 2.009 20 5 BEBDRN CCOC[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC001227523927 975511834 /nfs/dbraw/zinc/51/18/34/975511834.db2.gz TXTBDGRLCLFNLT-VIFPVBQESA-N 0 0 225.244 2.399 20 5 BEBDRN O=[N+]([O-])c1cnc(OC2CCCC2)c2[nH]cnc21 ZINC001227691390 975614585 /nfs/dbraw/zinc/61/45/85/975614585.db2.gz NPSDMOLAPQDTDA-UHFFFAOYSA-N 0 0 248.242 2.188 20 5 BEBDRN O=[N+]([O-])c1cncc(O[C@@H]2C=CCCC2)c1 ZINC001227988174 975833787 /nfs/dbraw/zinc/83/37/87/975833787.db2.gz QANXUQUAUUICFG-SNVBAGLBSA-N 0 0 220.228 2.477 20 5 BEBDRN O=[N+]([O-])c1cncc(O[C@@H]2C=CCC2)c1 ZINC001227989038 975833937 /nfs/dbraw/zinc/83/39/37/975833937.db2.gz BFWLJJZTWQGGGH-SECBINFHSA-N 0 0 206.201 2.087 20 5 BEBDRN Cc1ccc(O[C@@H](C[N+](=O)[O-])C2CC2)nc1C ZINC001228297268 976083095 /nfs/dbraw/zinc/08/30/95/976083095.db2.gz BGPMGEIAGAPNDD-NSHDSACASA-N 0 0 236.271 2.133 20 5 BEBDRN C[C@@H](Oc1cn[nH]c1)c1ccccc1[N+](=O)[O-] ZINC001228325252 976115514 /nfs/dbraw/zinc/11/55/14/976115514.db2.gz SHWNJJUBBZDJRP-MRVPVSSYSA-N 0 0 233.227 2.458 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1O[C@H]1COC[C@@H]1C ZINC001228916103 976579344 /nfs/dbraw/zinc/57/93/44/976579344.db2.gz PGIZBPBUTWQFFU-CABZTGNLSA-N 0 0 237.255 2.317 20 5 BEBDRN CO[C@H](C)COc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001229116344 976746269 /nfs/dbraw/zinc/74/62/69/976746269.db2.gz WFSIOWCRLHOFQN-QROSGCPLSA-N 0 0 237.255 2.348 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(OC2CCOCC2)cc1 ZINC001229120538 976753410 /nfs/dbraw/zinc/75/34/10/976753410.db2.gz ZWPRJAXPABAGBY-VMPITWQZSA-N 0 0 249.266 2.492 20 5 BEBDRN Nc1cc[nH]c(=O)c1Nc1ccc([N+](=O)[O-])cc1 ZINC001174477845 976800830 /nfs/dbraw/zinc/80/08/30/976800830.db2.gz YFIOIPWNURJXEW-UHFFFAOYSA-N 0 0 246.226 2.021 20 5 BEBDRN Cc1cc(OC[C@@H]2CCO2)cc(C)c1[N+](=O)[O-] ZINC001229466817 976875840 /nfs/dbraw/zinc/87/58/40/976875840.db2.gz XYPWGFCVQMGQEG-JTQLQIEISA-N 0 0 237.255 2.379 20 5 BEBDRN O=[N+]([O-])c1ccc2oc(OC3CC3)nc2c1 ZINC001229487719 976878957 /nfs/dbraw/zinc/87/89/57/976878957.db2.gz RUSMTAVGASGFLS-UHFFFAOYSA-N 0 0 220.184 2.277 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(OC[C@H]2CCO2)cc1F ZINC001229895623 977015144 /nfs/dbraw/zinc/01/51/44/977015144.db2.gz SOLUUXKZMATQIE-MRVPVSSYSA-N 0 0 241.218 2.210 20 5 BEBDRN Cc1ccc(O[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001230144251 977120375 /nfs/dbraw/zinc/12/03/75/977120375.db2.gz UCTQFMWFEODRER-JTQLQIEISA-N 0 0 237.255 2.461 20 5 BEBDRN CC[C@@H](C)Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230230704 977137876 /nfs/dbraw/zinc/13/78/76/977137876.db2.gz ZZZBJFNPDRMAQU-ZCFIWIBFSA-N 0 0 236.231 2.043 20 5 BEBDRN Cc1cc(O[C@@H]2CCOC2)cc([N+](=O)[O-])c1C ZINC001230471858 977217149 /nfs/dbraw/zinc/21/71/49/977217149.db2.gz SSLVABAWOIWLJN-SNVBAGLBSA-N 0 0 237.255 2.379 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(OC2CC2)cc1[N+](=O)[O-] ZINC001230493486 977222653 /nfs/dbraw/zinc/22/26/53/977222653.db2.gz CMGVSQVQMLGYKJ-UHFFFAOYSA-N 0 0 238.199 2.353 20 5 BEBDRN CCc1ccc(O[C@@H](C[N+](=O)[O-])C2CC2)nc1 ZINC001230851144 977349947 /nfs/dbraw/zinc/34/99/47/977349947.db2.gz JLLMQTCTPRBTAD-NSHDSACASA-N 0 0 236.271 2.078 20 5 BEBDRN COC[C@H](C)Oc1ccc(Cl)nc1[N+](=O)[O-] ZINC001230873161 977352497 /nfs/dbraw/zinc/35/24/97/977352497.db2.gz VRQWXOHDSFUNAF-LURJTMIESA-N 0 0 246.650 2.057 20 5 BEBDRN Cc1nc(NCCC2CC=CC2)ncc1[N+](=O)[O-] ZINC001355346391 1170018473 /nfs/dbraw/zinc/01/84/73/1170018473.db2.gz VHYOPDILYMZOQE-UHFFFAOYSA-N 0 0 248.286 2.461 20 5 BEBDRN O=[N+]([O-])c1ccc(F)c(Nc2ccncn2)c1 ZINC001175735160 977668894 /nfs/dbraw/zinc/66/88/94/977668894.db2.gz SVULJULFTHZMPT-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=[N+]([O-])c1ccc(F)c(Nc2ncccn2)c1 ZINC001175733985 977671189 /nfs/dbraw/zinc/67/11/89/977671189.db2.gz CQCFFOVBCVXBIV-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN CC1(C)CC[C@@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001336634105 977824777 /nfs/dbraw/zinc/82/47/77/977824777.db2.gz PPWCOBYHPIZNTG-VIFPVBQESA-N 0 0 236.275 2.173 20 5 BEBDRN Cc1c(OC(=O)[C@@H]2C[C@H]2F)cccc1[N+](=O)[O-] ZINC001336815767 977979533 /nfs/dbraw/zinc/97/95/33/977979533.db2.gz LNNDCICNWRPLGZ-HTQZYQBOSA-N 0 0 239.202 2.167 20 5 BEBDRN CC(C)(C)C[C@@H](NCC[N+](=O)[O-])C(F)(F)F ZINC001336818365 977984476 /nfs/dbraw/zinc/98/44/76/977984476.db2.gz CAMSXGHKWJBWCW-SSDOTTSWSA-N 0 0 242.241 2.220 20 5 BEBDRN CC(C)(C)[C@H]1CCN1c1ncc([N+](=O)[O-])cn1 ZINC001337383633 978316987 /nfs/dbraw/zinc/31/69/87/978316987.db2.gz TXHRDCJFCVLXLK-SECBINFHSA-N 0 0 236.275 2.010 20 5 BEBDRN Cc1ccc(NC(=O)[C@H]2C[C@@H]2C)c(N)c1[N+](=O)[O-] ZINC001337456694 978346389 /nfs/dbraw/zinc/34/63/89/978346389.db2.gz BTUPXLWRWSQNHQ-YUMQZZPRSA-N 0 0 249.270 2.080 20 5 BEBDRN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2F)cc1[N+](=O)[O-] ZINC001337795055 978498832 /nfs/dbraw/zinc/49/88/32/978498832.db2.gz JTGKJNBVJVCDFC-BDAKNGLRSA-N 0 0 238.218 2.200 20 5 BEBDRN C[C@@H]1CCC[C@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001337850666 978526851 /nfs/dbraw/zinc/52/68/51/978526851.db2.gz CJGIRGRXCNDTQE-VXNVDRBHSA-N 0 0 236.275 2.173 20 5 BEBDRN C[C@@H](Nc1cc(N)c([N+](=O)[O-])cn1)C1(C)CC1 ZINC001338012940 978589576 /nfs/dbraw/zinc/58/95/76/978589576.db2.gz HENKVODOTBPHQC-SSDOTTSWSA-N 0 0 236.275 2.173 20 5 BEBDRN CC[C@H](F)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC001338024803 978592213 /nfs/dbraw/zinc/59/22/13/978592213.db2.gz RIONOVIZAKSEPK-VIFPVBQESA-N 0 0 245.181 2.387 20 5 BEBDRN C[C@H](O)C(C)(C)CNc1ccccc1[N+](=O)[O-] ZINC001338141018 978617812 /nfs/dbraw/zinc/61/78/12/978617812.db2.gz FZEIYIWVRCCRSR-VIFPVBQESA-N 0 0 238.287 2.414 20 5 BEBDRN Cc1ccnc([N+](=O)[O-])c1O[C@@H]1C=CCC1 ZINC001233558049 978625312 /nfs/dbraw/zinc/62/53/12/978625312.db2.gz YPQLXHOEQZZFPT-SECBINFHSA-N 0 0 220.228 2.396 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(O[C@@H]2CCOC2)cc1F ZINC001233598366 978641484 /nfs/dbraw/zinc/64/14/84/978641484.db2.gz ZCXXYQJJZYAUIQ-ZCFIWIBFSA-N 0 0 245.181 2.041 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2CC2)c(F)c1F ZINC001233764592 978693538 /nfs/dbraw/zinc/69/35/38/978693538.db2.gz IHENDGGZETWDAQ-UHFFFAOYSA-N 0 0 215.155 2.414 20 5 BEBDRN C[C@@H](Oc1ccnc([N+](=O)[O-])c1)C(F)(F)F ZINC001233855187 978713943 /nfs/dbraw/zinc/71/39/43/978713943.db2.gz OWOUFQXLFGEOME-RXMQYKEDSA-N 0 0 236.149 2.319 20 5 BEBDRN COc1cc(CC[N+](=O)[O-])ccc1OC(C)C ZINC001233982836 978747338 /nfs/dbraw/zinc/74/73/38/978747338.db2.gz MWTRVRUGEOTRQM-UHFFFAOYSA-N 0 0 239.271 2.302 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(O[C@@H](C)C2CC2)n1 ZINC001234879750 978923101 /nfs/dbraw/zinc/92/31/01/978923101.db2.gz SFGSPZVIVFVRDL-ZETCQYMHSA-N 0 0 238.243 2.176 20 5 BEBDRN Cc1nccc([N+](=O)[O-])c1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001234901727 978926767 /nfs/dbraw/zinc/92/67/67/978926767.db2.gz QZAHCJMCLMYGLA-ILWJIGKKSA-N 0 0 234.255 2.476 20 5 BEBDRN Cc1nccc([N+](=O)[O-])c1O[C@@H]1C=CCC1 ZINC001234901815 978928526 /nfs/dbraw/zinc/92/85/26/978928526.db2.gz SBEMVQZOYWVDLY-SECBINFHSA-N 0 0 220.228 2.396 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ncccc2F)cn1 ZINC001203560808 979761595 /nfs/dbraw/zinc/76/15/95/979761595.db2.gz QMKKTMBBHARBHB-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN Cc1ccc(COC(=O)CCF)cc1[N+](=O)[O-] ZINC001343423676 980104477 /nfs/dbraw/zinc/10/44/77/980104477.db2.gz LBZKAUDTYQTOSO-UHFFFAOYSA-N 0 0 241.218 2.306 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001343678735 980188091 /nfs/dbraw/zinc/18/80/91/980188091.db2.gz GCAWKTLAKMBZRQ-XWLWVQCSSA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CC=CCC1 ZINC001344404958 980389928 /nfs/dbraw/zinc/38/99/28/980389928.db2.gz XVAWHIMIMSWEHX-MNOVXSKESA-N 0 0 241.287 2.331 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CC1=CCCCC1 ZINC001344404874 980390376 /nfs/dbraw/zinc/39/03/76/980390376.db2.gz XKCVHYHZMNUQPS-LLVKDONJSA-N 0 0 241.287 2.475 20 5 BEBDRN O=[N+]([O-])c1ccnn1CCc1cccc(F)c1 ZINC001188643558 980687579 /nfs/dbraw/zinc/68/75/79/980687579.db2.gz XOCRFFBXZMUIOE-UHFFFAOYSA-N 0 0 235.218 2.173 20 5 BEBDRN CC(C)(COC(=O)[C@@H]1CCC[C@@H](F)C1)[N+](=O)[O-] ZINC001346350882 980816869 /nfs/dbraw/zinc/81/68/69/980816869.db2.gz UQVXIWIAJLANSF-RKDXNWHRSA-N 0 0 247.266 2.113 20 5 BEBDRN CC[C@H]1CCC[C@@]1(C)C(=O)OCCC[N+](=O)[O-] ZINC001346451224 980840937 /nfs/dbraw/zinc/84/09/37/980840937.db2.gz UMZGLHOPJCAGCO-CMPLNLGQSA-N 0 0 243.303 2.413 20 5 BEBDRN C[C@@H](COC(=O)[C@H]1CCC=CCCC1)[N+](=O)[O-] ZINC001348532992 981384720 /nfs/dbraw/zinc/38/47/20/981384720.db2.gz HFQQCMLSNDAYJG-QWRGUYRKSA-N 0 0 241.287 2.331 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]3CC[C@H]2O3)cc1 ZINC001348779853 981441772 /nfs/dbraw/zinc/44/17/72/981441772.db2.gz RYZIZPFZTZGDMO-QJPTWQEYSA-N 0 0 234.255 2.327 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1CCC[C@H](CF)C1 ZINC001349775100 981726202 /nfs/dbraw/zinc/72/62/02/981726202.db2.gz WELQOKGMDMYUKU-SECBINFHSA-N 0 0 239.250 2.176 20 5 BEBDRN Cc1cc(NC(=O)c2cocn2)cc([N+](=O)[O-])c1 ZINC001586467232 981996099 /nfs/dbraw/zinc/99/60/99/981996099.db2.gz IWUAMNGKBWEFTM-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(NCC(C)C)n1 ZINC000080223826 982375186 /nfs/dbraw/zinc/37/51/86/982375186.db2.gz OEUMGIOJWCAJTF-UHFFFAOYSA-N 0 0 225.248 2.066 20 5 BEBDRN O=[N+]([O-])c1cc(O)cc(Nc2cccnc2)c1 ZINC001199801045 983020827 /nfs/dbraw/zinc/02/08/27/983020827.db2.gz OVLFGLZNLVUZGT-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN Cc1coc(Nc2cc(O)cc([N+](=O)[O-])c2)n1 ZINC001199802833 983021021 /nfs/dbraw/zinc/02/10/21/983021021.db2.gz ZTLKCUXEIHFLQD-UHFFFAOYSA-N 0 0 235.199 2.340 20 5 BEBDRN Cc1nccnc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199802281 983021060 /nfs/dbraw/zinc/02/10/60/983021060.db2.gz NVGJPHZXBAGPNR-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN O=[N+]([O-])c1cc(O)cc(Nc2ncco2)c1 ZINC001199801460 983022251 /nfs/dbraw/zinc/02/22/51/983022251.db2.gz FASOCXUZLFKVHU-UHFFFAOYSA-N 0 0 221.172 2.032 20 5 BEBDRN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1C[C@H]1F ZINC001354121485 983161962 /nfs/dbraw/zinc/16/19/62/983161962.db2.gz YNINEVAWKQKVOE-HTRCEHHLSA-N 0 0 242.181 2.030 20 5 BEBDRN Cc1nnc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC001253462847 984179307 /nfs/dbraw/zinc/17/93/07/984179307.db2.gz ABQCSUZDHHBOMB-UHFFFAOYSA-N 0 0 219.200 2.262 20 5 BEBDRN C=C/C=C/CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC001441609311 984485126 /nfs/dbraw/zinc/48/51/26/984485126.db2.gz XWQAKYMSWPSRJM-ONEGZZNKSA-N 0 0 246.266 2.343 20 5 BEBDRN C[C@@H]1C[C@@H]1c1nnc(-c2cccnc2[N+](=O)[O-])o1 ZINC001256720086 984604261 /nfs/dbraw/zinc/60/42/61/984604261.db2.gz XHRADANNYKOYAM-SVRRBLITSA-N 0 0 246.226 2.163 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(NC[C@@H]2CC=CCC2)n1 ZINC001458136940 985265862 /nfs/dbraw/zinc/26/58/62/985265862.db2.gz MSCYUKQPAFLFGQ-SECBINFHSA-N 0 0 236.275 2.097 20 5 BEBDRN CCc1nnc(-c2cc([N+](=O)[O-])ccc2OC)o1 ZINC001255138067 986822878 /nfs/dbraw/zinc/82/28/78/986822878.db2.gz IJKBUYKOFGFGTB-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN CC(C)Cc1nnc(-c2ncccc2[N+](=O)[O-])o1 ZINC001256481574 987229178 /nfs/dbraw/zinc/22/91/78/987229178.db2.gz RPZSJYVLELUFMP-UHFFFAOYSA-N 0 0 248.242 2.238 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2ccnc(F)c2)nc1 ZINC001472844843 987292779 /nfs/dbraw/zinc/29/27/79/987292779.db2.gz CRMAZWXPBJXIOP-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1C=CCC1 ZINC000698268759 987371596 /nfs/dbraw/zinc/37/15/96/987371596.db2.gz XLMAXXQZPJAUCK-VIFPVBQESA-N 0 0 219.244 2.429 20 5 BEBDRN CCc1nnc(-c2ccc([N+](=O)[O-])cc2F)o1 ZINC001117197796 987798019 /nfs/dbraw/zinc/79/80/19/987798019.db2.gz XZCCNHXQVAMQDG-UHFFFAOYSA-N 0 0 237.190 2.346 20 5 BEBDRN Cc1nc(N2CCC[C@H]2C2CC2)ncc1[N+](=O)[O-] ZINC001117754688 987892655 /nfs/dbraw/zinc/89/26/55/987892655.db2.gz LTEUHJXNSIBROI-JTQLQIEISA-N 0 0 248.286 2.072 20 5 BEBDRN Cc1occc1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC001117755520 987892820 /nfs/dbraw/zinc/89/28/20/987892820.db2.gz UEMDLNMOYPIIPN-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=C(NC/C=C\C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001117771647 987900885 /nfs/dbraw/zinc/90/08/85/987900885.db2.gz NNXPGFUEEIXLBM-IHWYPQMZSA-N 0 0 246.266 2.291 20 5 BEBDRN CC(C)c1nnc(CCC(C)(C)[N+](=O)[O-])o1 ZINC001118367718 988256395 /nfs/dbraw/zinc/25/63/95/988256395.db2.gz UVVDPKPIDARUBJ-UHFFFAOYSA-N 0 0 227.264 2.181 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@H]1CC=CCC1 ZINC001323118713 988453566 /nfs/dbraw/zinc/45/35/66/988453566.db2.gz KHLBPQHTQJRKCW-JTQLQIEISA-N 0 0 233.271 2.241 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001118854807 988655978 /nfs/dbraw/zinc/65/59/78/988655978.db2.gz SSNNEMGAOBMWHA-GARJFASQSA-N 0 0 247.298 2.321 20 5 BEBDRN C[C@@H](COC(=O)C12CCC(CC1)CC2)[N+](=O)[O-] ZINC001515229065 989003419 /nfs/dbraw/zinc/00/34/19/989003419.db2.gz GEVZBQYLCPWZEY-BMQDGWLCSA-N 0 0 241.287 2.165 20 5 BEBDRN C[C@H](C(=O)NC1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001325115977 989088385 /nfs/dbraw/zinc/08/83/85/989088385.db2.gz BNELLOZUJPFVCJ-VIFPVBQESA-N 0 0 248.282 2.367 20 5 BEBDRN Nc1cnn(-c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001248594865 989121559 /nfs/dbraw/zinc/12/15/59/989121559.db2.gz XCTVBHWWNUNXOX-UHFFFAOYSA-N 0 0 238.634 2.016 20 5 BEBDRN Cc1c(Nc2cc([N+](=O)[O-])cnc2C)cnn1C ZINC001248747271 989140658 /nfs/dbraw/zinc/14/06/58/989140658.db2.gz UOISKCHLGYKCTI-UHFFFAOYSA-N 0 0 247.258 2.084 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C1(C)CCCC1 ZINC001517194638 989208672 /nfs/dbraw/zinc/20/86/72/989208672.db2.gz VZXMKAIJMTUYLF-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CC[C@H](C)C1 ZINC001517191494 989209040 /nfs/dbraw/zinc/20/90/40/989209040.db2.gz CNNHQQFEXUTVDE-HBNTYKKESA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1ccc([C@H]2CC[N@H+](CC[N+](=O)[O-])C2)cc1 ZINC001119810167 989411753 /nfs/dbraw/zinc/41/17/53/989411753.db2.gz KJPJPGFFDRGXEV-ZDUSSCGKSA-N 0 0 234.299 2.061 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC1(C)C ZINC001520099581 989506968 /nfs/dbraw/zinc/50/69/68/989506968.db2.gz RUIHVYWPQZGBOF-UWVGGRQHSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1oc(C)cc1C ZINC001520099702 989507613 /nfs/dbraw/zinc/50/76/13/989507613.db2.gz VSNSLXVVBAQOQD-VIFPVBQESA-N 0 0 241.243 2.109 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@]1(C)CC=CCC1 ZINC001520098972 989510400 /nfs/dbraw/zinc/51/04/00/989510400.db2.gz BLSFJQYMUJLGNA-JQWIXIFHSA-N 0 0 241.287 2.331 20 5 BEBDRN CC(C)[C@@H](C)N(C)c1cc(N)c([N+](=O)[O-])cn1 ZINC001120890349 989949502 /nfs/dbraw/zinc/94/95/02/989949502.db2.gz PVTISCYRHWGKNF-MRVPVSSYSA-N 0 0 238.291 2.053 20 5 BEBDRN CC[C@H](F)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC001121047503 990002667 /nfs/dbraw/zinc/00/26/67/990002667.db2.gz QINATACPNHCBPV-JTQLQIEISA-N 0 0 241.218 2.386 20 5 BEBDRN Cc1cnc(N[C@@H]2C[C@@H]3CC[C@H]2O3)c([N+](=O)[O-])c1 ZINC001121046688 990005015 /nfs/dbraw/zinc/00/50/15/990005015.db2.gz GVVWIQPARVIUNU-IQJOONFLSA-N 0 0 249.270 2.030 20 5 BEBDRN CC[C@@H](C)CC(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001123354547 990554200 /nfs/dbraw/zinc/55/42/00/990554200.db2.gz BAPXGMWRDCRODR-BDAKNGLRSA-N 0 0 217.265 2.021 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H](C)C1CCCC1 ZINC001123355986 990557357 /nfs/dbraw/zinc/55/73/57/990557357.db2.gz YGPDZGUYXUFICJ-ONGXEEELSA-N 0 0 243.303 2.411 20 5 BEBDRN CCCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001558336547 990936868 /nfs/dbraw/zinc/93/68/68/990936868.db2.gz FQARSEWSDOATLN-UHFFFAOYSA-N 0 0 240.263 2.083 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC[C@@H]1CC1(C)C ZINC001258065428 990961330 /nfs/dbraw/zinc/96/13/30/990961330.db2.gz BZCNBCYVXBDAJM-VIFPVBQESA-N 0 0 235.287 2.178 20 5 BEBDRN CC(=O)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC001559432367 991104165 /nfs/dbraw/zinc/10/41/65/991104165.db2.gz QPAJNGXQOOVKHK-UHFFFAOYSA-N 0 0 245.238 2.047 20 5 BEBDRN Cc1cc(Cl)c([N+](=O)[O-])cc1NC(N)=O ZINC001310801840 991309041 /nfs/dbraw/zinc/30/90/41/991309041.db2.gz QWRFHSDVIFVYAS-UHFFFAOYSA-N 0 0 229.623 2.047 20 5 BEBDRN CC1(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001318589260 991682670 /nfs/dbraw/zinc/68/26/70/991682670.db2.gz CSAHJQSURQLWRW-UHFFFAOYSA-N 0 0 235.243 2.269 20 5 BEBDRN COCCCOc1cc([N+](=O)[O-])c(F)cc1F ZINC001261598144 992419968 /nfs/dbraw/zinc/41/99/68/992419968.db2.gz QWPRHYMIJUNAJS-UHFFFAOYSA-N 0 0 247.197 2.288 20 5 BEBDRN CC(C)=CCCNc1cc(N)c([N+](=O)[O-])cn1 ZINC001262693595 993035408 /nfs/dbraw/zinc/03/54/08/993035408.db2.gz TTWIWRGGHHZWGS-UHFFFAOYSA-N 0 0 236.275 2.340 20 5 BEBDRN Cc1nc(NC[C@]23C[C@H]2CCC3)ncc1[N+](=O)[O-] ZINC001333810639 994527678 /nfs/dbraw/zinc/52/76/78/994527678.db2.gz WLVBUXONCFJLPF-SKDRFNHKSA-N 0 0 248.286 2.295 20 5 BEBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1(C)CC1 ZINC001336732230 995089665 /nfs/dbraw/zinc/08/96/65/995089665.db2.gz RDANXISDOBMNLH-ZETCQYMHSA-N 0 0 238.243 2.106 20 5 BEBDRN O=[N+]([O-])c1ccc(Oc2cccnc2F)cn1 ZINC001306993247 995280122 /nfs/dbraw/zinc/28/01/22/995280122.db2.gz MEEHYNKDEIBBNP-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccccc2O)cn1 ZINC000020324542 1170153187 /nfs/dbraw/zinc/15/31/87/1170153187.db2.gz HDLWHIRUJHQPTE-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN Cc1c[nH]c(Nc2sccc2[N+](=O)[O-])n1 ZINC001612115174 1170448538 /nfs/dbraw/zinc/44/85/38/1170448538.db2.gz WDHXGZFHDFLNRP-UHFFFAOYSA-N 0 0 224.245 2.431 20 5 BEBDRN O=[N+]([O-])c1ccc(NC/C=C/Cl)cn1 ZINC001613030086 1170468870 /nfs/dbraw/zinc/46/88/70/1170468870.db2.gz KSEOEOAYPLRTES-DAFODLJHSA-N 0 0 213.624 2.154 20 5 BEBDRN O=C(COc1ccsc1[N+](=O)[O-])C1CC1 ZINC001613792390 1170486658 /nfs/dbraw/zinc/48/66/58/1170486658.db2.gz KCGKBQFFNGOEJH-UHFFFAOYSA-N 0 0 227.241 2.014 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CCOC1 ZINC000038094735 1171019168 /nfs/dbraw/zinc/01/91/68/1171019168.db2.gz ZZPNZTFVWRLWRA-QMMMGPOBSA-N 0 0 240.234 2.182 20 5 BEBDRN CC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000043473297 1171290471 /nfs/dbraw/zinc/29/04/71/1171290471.db2.gz YFDRYNHXZBAXOL-ZETCQYMHSA-N 0 0 227.191 2.090 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCOC2)s1 ZINC000048999947 1171664968 /nfs/dbraw/zinc/66/49/68/1171664968.db2.gz ZUEXUVBMERAABW-ZETCQYMHSA-N 0 0 228.273 2.105 20 5 BEBDRN Cc1nnc(CNc2cc(C)ccc2[N+](=O)[O-])o1 ZINC000610677384 343975649 /nfs/dbraw/zinc/97/56/49/343975649.db2.gz UTJGRHZIUTXCAF-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC(C)[C@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610678060 343975782 /nfs/dbraw/zinc/97/57/82/343975782.db2.gz YPUUEBGQCHZXOJ-JTQLQIEISA-N 0 0 235.287 2.472 20 5 BEBDRN C[C@@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000335179278 343977946 /nfs/dbraw/zinc/97/79/46/343977946.db2.gz XYBIBUIXLQMFJQ-GXSJLCMTSA-N 0 0 238.218 2.281 20 5 BEBDRN Cc1cc(CNCc2ccccc2[N+](=O)[O-])no1 ZINC000044692481 178026814 /nfs/dbraw/zinc/02/68/14/178026814.db2.gz YKWNEZDPXGFIQI-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN Cc1cc(N)c(Br)c([N+](=O)[O-])c1 ZINC000098181324 178101364 /nfs/dbraw/zinc/10/13/64/178101364.db2.gz LJYXJJWGIPUPDC-UHFFFAOYSA-N 0 0 231.049 2.248 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC2CC2)c1 ZINC000266008308 398207224 /nfs/dbraw/zinc/20/72/24/398207224.db2.gz HHPKYQNIHDHBIY-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1cc(NC(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000132175741 178137427 /nfs/dbraw/zinc/13/74/27/178137427.db2.gz BWWLFWDTSOUTMW-UHFFFAOYSA-N 0 0 237.259 2.433 20 5 BEBDRN Cc1cc(NC2CCOCC2)ccc1[N+](=O)[O-] ZINC000036320010 178154502 /nfs/dbraw/zinc/15/45/02/178154502.db2.gz CDOPKISZDSUZSO-UHFFFAOYSA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cc(N[C@H]2CCOC2)c(F)cc1[N+](=O)[O-] ZINC000310533236 178190988 /nfs/dbraw/zinc/19/09/88/178190988.db2.gz OOWNGRDHCMNPJI-QMMMGPOBSA-N 0 0 240.234 2.243 20 5 BEBDRN Cc1cc(OCC(=O)C(F)F)ccc1[N+](=O)[O-] ZINC000282442909 178208373 /nfs/dbraw/zinc/20/83/73/178208373.db2.gz GCDLSGRVWKEMKO-UHFFFAOYSA-N 0 0 245.181 2.116 20 5 BEBDRN Cc1cc(OCC2(O)CCC2)ccc1[N+](=O)[O-] ZINC000339325525 178209579 /nfs/dbraw/zinc/20/95/79/178209579.db2.gz MSSJZTDPAVMLTO-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN Cc1cc(OCc2ccn(C)n2)ccc1[N+](=O)[O-] ZINC000271026610 178213314 /nfs/dbraw/zinc/21/33/14/178213314.db2.gz LBPUTKVRPKOTRT-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NC1CC=CC1 ZINC000131111271 178274295 /nfs/dbraw/zinc/27/42/95/178274295.db2.gz HIZWFSHPRVPIKQ-UHFFFAOYSA-N 0 0 219.244 2.429 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CC1 ZINC000299583077 178270726 /nfs/dbraw/zinc/27/07/26/178270726.db2.gz JPLOJSDQAVUBNW-UHFFFAOYSA-N 0 0 234.255 2.138 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[C@H]1C ZINC000075510612 178271185 /nfs/dbraw/zinc/27/11/85/178271185.db2.gz OZZTYSAFDYYEGD-LDYMZIIASA-N 0 0 234.255 2.041 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC1(C)C ZINC000299564847 178271658 /nfs/dbraw/zinc/27/16/58/178271658.db2.gz BGRHYBCIUFQYSK-LLVKDONJSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCCC(C)(C)O ZINC000134064681 178272633 /nfs/dbraw/zinc/27/26/33/178272633.db2.gz KORVWEPVZRGKJX-UHFFFAOYSA-N 0 0 239.271 2.443 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)CCO ZINC000080645803 178272675 /nfs/dbraw/zinc/27/26/75/178272675.db2.gz IIHBOJZVNAYHOK-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC1 ZINC000156089877 178272742 /nfs/dbraw/zinc/27/27/42/178272742.db2.gz VFOWSOYTRHNSDG-UHFFFAOYSA-N 0 0 235.243 2.187 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCCn1cccn1 ZINC000042541834 178273104 /nfs/dbraw/zinc/27/31/04/178273104.db2.gz LVYLVDSJJSTUOT-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCC1(O)CCC1 ZINC000080635316 178273123 /nfs/dbraw/zinc/27/31/23/178273123.db2.gz DQLCOYHGABGDPW-UHFFFAOYSA-N 0 0 236.271 2.230 20 5 BEBDRN Cc1ccc(Cn2cnc([N+](=O)[O-])c2)c(C)c1 ZINC000335243457 343992440 /nfs/dbraw/zinc/99/24/40/343992440.db2.gz XWVDPGUPTCBPDQ-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CCC(CC)CNc1ncc([N+](=O)[O-])cn1 ZINC000164761384 168366687 /nfs/dbraw/zinc/36/66/87/168366687.db2.gz GSIAASYJOSFHSF-UHFFFAOYSA-N 0 0 224.264 2.233 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CCC12CCC2 ZINC000335256485 343995360 /nfs/dbraw/zinc/99/53/60/343995360.db2.gz KCZWLSGRNVIUFP-UHFFFAOYSA-N 0 0 246.266 2.363 20 5 BEBDRN CC/C=C\CNc1nccc(C)c1[N+](=O)[O-] ZINC000395058353 398252651 /nfs/dbraw/zinc/25/26/51/398252651.db2.gz OJXWNSUVVCBHJU-PLNGDYQASA-N 0 0 221.260 2.098 20 5 BEBDRN C[C@H](Nc1ncc([N+](=O)[O-])cn1)C(C)(C)C ZINC000134144973 398258710 /nfs/dbraw/zinc/25/87/10/398258710.db2.gz ZIIXUWJGVJDEQA-ZETCQYMHSA-N 0 0 224.264 2.231 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H](CCO)C2CC2)cc1 ZINC000301345157 398270665 /nfs/dbraw/zinc/27/06/65/398270665.db2.gz JMFVECDGIQFULV-LBPRGKRZSA-N 0 0 236.271 2.168 20 5 BEBDRN Cc1ccc(C(=O)NC2CCC2)cc1[N+](=O)[O-] ZINC000264367868 178403150 /nfs/dbraw/zinc/40/31/50/178403150.db2.gz CDNUDWOCBXBNJO-UHFFFAOYSA-N 0 0 234.255 2.186 20 5 BEBDRN COc1ccc(Oc2cccnn2)c([N+](=O)[O-])c1 ZINC000552886419 398276557 /nfs/dbraw/zinc/27/65/57/398276557.db2.gz HXWONLGJCZQLBY-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN CO[C@@H](C)CNc1c(Cl)cncc1[N+](=O)[O-] ZINC000304392577 342834862 /nfs/dbraw/zinc/83/48/62/342834862.db2.gz UFCQMHWTHOFVQV-LURJTMIESA-N 0 0 245.666 2.090 20 5 BEBDRN C[C@@H](CO)[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000077228101 398307575 /nfs/dbraw/zinc/30/75/75/398307575.db2.gz LFBDPJRKVWMIDV-IUCAKERBSA-N 0 0 224.260 2.024 20 5 BEBDRN C[C@@H](CO)[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000077228131 398307684 /nfs/dbraw/zinc/30/76/84/398307684.db2.gz NEUVAQHGQFEQBD-JGVFFNPUSA-N 0 0 242.250 2.163 20 5 BEBDRN CO[C@@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000609075201 342859943 /nfs/dbraw/zinc/85/99/43/342859943.db2.gz VFTWEWSLBXSLMV-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN COC(=O)[C@@H](C)Sc1cccc([N+](=O)[O-])c1 ZINC000313439436 398310475 /nfs/dbraw/zinc/31/04/75/398310475.db2.gz BWXAWIISJSIHFP-SSDOTTSWSA-N 0 0 241.268 2.248 20 5 BEBDRN O=[N+]([O-])c1ccsc1NC[C@H]1CC[C@@H](O)C1 ZINC000302695853 398320076 /nfs/dbraw/zinc/32/00/76/398320076.db2.gz SUASUYIIWMBZJJ-JGVFFNPUSA-N 0 0 242.300 2.229 20 5 BEBDRN COC[C@H](C)N(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000171987321 398329277 /nfs/dbraw/zinc/32/92/77/398329277.db2.gz UOAIALNWCIPNRF-QMMMGPOBSA-N 0 0 242.250 2.205 20 5 BEBDRN C[C@@H]1CCC[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000230697197 346881300 /nfs/dbraw/zinc/88/13/00/346881300.db2.gz GCELMDJIBLEABG-BDAKNGLRSA-N 0 0 238.291 2.176 20 5 BEBDRN C/C=C(\CC)C(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000288956162 398332850 /nfs/dbraw/zinc/33/28/50/398332850.db2.gz XWWBVDIDQDZLKC-RUDMXATFSA-N 0 0 249.270 2.309 20 5 BEBDRN CC1(C)CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000602750820 349730410 /nfs/dbraw/zinc/73/04/10/349730410.db2.gz CNHIYNGBNTYPQW-UHFFFAOYSA-N 0 0 220.272 2.437 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCc2cccnc2)n1 ZINC000162593662 349761981 /nfs/dbraw/zinc/76/19/81/349761981.db2.gz IIKSPWBFEQCWFC-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN C[C@@H](O)CCCSc1ccc([N+](=O)[O-])cn1 ZINC000355929873 136266002 /nfs/dbraw/zinc/26/60/02/136266002.db2.gz AJHOSXINVIUDOK-MRVPVSSYSA-N 0 0 242.300 2.243 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Oc1ncccn1 ZINC000067447611 362029343 /nfs/dbraw/zinc/02/93/43/362029343.db2.gz QSNNMGFDRPJAMA-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(NCC2CC2)n1 ZINC000309896984 343087945 /nfs/dbraw/zinc/08/79/45/343087945.db2.gz GFJGOPMIXUFLDD-UHFFFAOYSA-N 0 0 221.260 2.429 20 5 BEBDRN CCO[C@H]1C[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000309905394 343091259 /nfs/dbraw/zinc/09/12/59/343091259.db2.gz JYRDOZUYDJFAJF-KOLCDFICSA-N 0 0 222.244 2.184 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N1[C@H](C)C[C@H]1C ZINC000576901223 365718731 /nfs/dbraw/zinc/71/87/31/365718731.db2.gz QTIYDUGCXUZHGN-HTQZYQBOSA-N 0 0 238.291 2.107 20 5 BEBDRN CC[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000421583628 192357744 /nfs/dbraw/zinc/35/77/44/192357744.db2.gz ZFKAEHMSZOPABC-SSDOTTSWSA-N 0 0 242.300 2.432 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1OCc1ccno1 ZINC000608845832 343222767 /nfs/dbraw/zinc/22/27/67/343222767.db2.gz GVGQMXVFNUBSFH-UHFFFAOYSA-N 0 0 238.174 2.301 20 5 BEBDRN CC[C@H](C)[C@H](O)CNc1ccsc1[N+](=O)[O-] ZINC000310037915 343226890 /nfs/dbraw/zinc/22/68/90/343226890.db2.gz VOMFGPWYORHYLH-IONNQARKSA-N 0 0 244.316 2.475 20 5 BEBDRN CCOCCOc1cc(OC)ccc1[N+](=O)[O-] ZINC000584052738 343308506 /nfs/dbraw/zinc/30/85/06/343308506.db2.gz DHRATXSMVPPJPM-UHFFFAOYSA-N 0 0 241.243 2.019 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NC1CC=CC1 ZINC000310163341 343358065 /nfs/dbraw/zinc/35/80/65/343358065.db2.gz JDGIFTKTGOXGNU-UHFFFAOYSA-N 0 0 236.275 2.250 20 5 BEBDRN CC[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000113699779 136305649 /nfs/dbraw/zinc/30/56/49/136305649.db2.gz RAEROUUBAUHROE-SSDOTTSWSA-N 0 0 240.234 2.262 20 5 BEBDRN C[C@@H]1CCC[C@@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310282553 343408994 /nfs/dbraw/zinc/40/89/94/343408994.db2.gz WRZCZKWBWUEHMS-APPZFPTMSA-N 0 0 236.275 2.173 20 5 BEBDRN C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000335698756 136327661 /nfs/dbraw/zinc/32/76/61/136327661.db2.gz HDARLFZQPVGDED-AOOOYVTPSA-N 0 0 248.282 2.323 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1N1CC(F)C1 ZINC000349263507 136332832 /nfs/dbraw/zinc/33/28/32/136332832.db2.gz FMHUVWBWLBVAQL-UHFFFAOYSA-N 0 0 230.626 2.406 20 5 BEBDRN CCC1(Nc2ncccc2[N+](=O)[O-])CC1 ZINC000379470427 343528736 /nfs/dbraw/zinc/52/87/36/343528736.db2.gz WIJIKAXNAIGPHZ-UHFFFAOYSA-N 0 0 207.233 2.344 20 5 BEBDRN O=c1[nH]ccc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000167111697 343586430 /nfs/dbraw/zinc/58/64/30/343586430.db2.gz JZLGTFBIBWZMSJ-UHFFFAOYSA-N 0 0 245.238 2.308 20 5 BEBDRN Cc1cc(C(=O)NCC(C)C)cc([N+](=O)[O-])c1 ZINC000049168116 343593947 /nfs/dbraw/zinc/59/39/47/343593947.db2.gz SRDLNUNHVGGEDH-UHFFFAOYSA-N 0 0 236.271 2.289 20 5 BEBDRN CC(C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049249051 343595008 /nfs/dbraw/zinc/59/50/08/343595008.db2.gz VWZAUZOZWRYHDG-SECBINFHSA-N 0 0 236.271 2.428 20 5 BEBDRN CC(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000049249049 343595128 /nfs/dbraw/zinc/59/51/28/343595128.db2.gz VWZAUZOZWRYHDG-VIFPVBQESA-N 0 0 236.271 2.428 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCCO2)cc1 ZINC000019231886 343683458 /nfs/dbraw/zinc/68/34/58/343683458.db2.gz CXYNKJVZMJLYSO-LLVKDONJSA-N 0 0 222.244 2.186 20 5 BEBDRN CC(C)[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000334424880 343879124 /nfs/dbraw/zinc/87/91/24/343879124.db2.gz UBMDPGKRBGNWPW-MRVPVSSYSA-N 0 0 238.243 2.058 20 5 BEBDRN CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000334544718 343891292 /nfs/dbraw/zinc/89/12/92/343891292.db2.gz NGISYHWRRVYKSH-LBPRGKRZSA-N 0 0 248.282 2.321 20 5 BEBDRN O=[N+]([O-])c1ccnn1C[C@H]1CCC(F)(F)C1 ZINC000334624782 343896632 /nfs/dbraw/zinc/89/66/32/343896632.db2.gz OYUZIJWCWIYJBE-ZETCQYMHSA-N 0 0 231.202 2.227 20 5 BEBDRN O=[N+]([O-])c1ccnn1C[C@@H]1CCCC1(F)F ZINC000334624772 343896750 /nfs/dbraw/zinc/89/67/50/343896750.db2.gz OQASHWODEKNTPX-ZETCQYMHSA-N 0 0 231.202 2.227 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC23CC3)c1 ZINC000335097276 343927467 /nfs/dbraw/zinc/92/74/67/343927467.db2.gz CGPVQHAYTCJRKF-LLVKDONJSA-N 0 0 246.266 2.186 20 5 BEBDRN C[C@@H]1CCN(c2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000610588347 343973649 /nfs/dbraw/zinc/97/36/49/343973649.db2.gz BLRXFDFAJFVXNN-RKDXNWHRSA-N 0 0 221.260 2.225 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1C[C@@H]2CCC[C@H]2C1 ZINC000610685461 343975216 /nfs/dbraw/zinc/97/52/16/343975216.db2.gz SAABETRZPLCHEM-UWVGGRQHSA-N 0 0 233.271 2.226 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1C[C@@H]2CCC[C@@H]2C1 ZINC000610685459 343975456 /nfs/dbraw/zinc/97/54/56/343975456.db2.gz SAABETRZPLCHEM-AOOOYVTPSA-N 0 0 233.271 2.226 20 5 BEBDRN CN(C[C@@H]1CCOC1)c1ccsc1[N+](=O)[O-] ZINC000610515791 343967156 /nfs/dbraw/zinc/96/71/56/343967156.db2.gz JEROCYLBIRKQTG-QMMMGPOBSA-N 0 0 242.300 2.129 20 5 BEBDRN CC1(O)CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610735448 344113292 /nfs/dbraw/zinc/11/32/92/344113292.db2.gz NKQUUJZOZPXWOX-UHFFFAOYSA-N 0 0 242.300 2.008 20 5 BEBDRN CC1(C)[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]21 ZINC000078411640 344097082 /nfs/dbraw/zinc/09/70/82/344097082.db2.gz XYQKFFQDBRIPDG-DTORHVGOSA-N 0 0 233.271 2.082 20 5 BEBDRN CC1(C)CC(n2cccc([N+](=O)[O-])c2=O)C1 ZINC000601075648 344135982 /nfs/dbraw/zinc/13/59/82/344135982.db2.gz GQQHFSCQHPKWLL-UHFFFAOYSA-N 0 0 222.244 2.118 20 5 BEBDRN O=[N+]([O-])c1cnn(COC2CCCCC2)c1 ZINC000601075613 344135993 /nfs/dbraw/zinc/13/59/93/344135993.db2.gz SOIAOSIXWMDHLI-UHFFFAOYSA-N 0 0 225.248 2.098 20 5 BEBDRN Cc1cc(=O)n(C2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000601080371 344141369 /nfs/dbraw/zinc/14/13/69/344141369.db2.gz LOPWPHKUPUHRKC-UHFFFAOYSA-N 0 0 236.271 2.426 20 5 BEBDRN Cc1c(C(=O)NC2CC=CC2)cccc1[N+](=O)[O-] ZINC000610742174 344144051 /nfs/dbraw/zinc/14/40/51/344144051.db2.gz WUNHDIQDPQGELL-UHFFFAOYSA-N 0 0 246.266 2.352 20 5 BEBDRN Cc1cc(COc2cccc([N+](=O)[O-])c2)nn1C ZINC000610856616 344155874 /nfs/dbraw/zinc/15/58/74/344155874.db2.gz XKTAQDOSYFJTCS-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCc1ncccc1F ZINC000611030506 344232260 /nfs/dbraw/zinc/23/22/60/344232260.db2.gz PPIJKYAETWCACU-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN C[C@@]1(O)CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000611228062 344324313 /nfs/dbraw/zinc/32/43/13/344324313.db2.gz PWQDEXGWXIPFKP-SNVBAGLBSA-N 0 0 242.300 2.008 20 5 BEBDRN C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000209828060 344489921 /nfs/dbraw/zinc/48/99/21/344489921.db2.gz FKOGDVCVMFUOSN-SECBINFHSA-N 0 0 249.270 2.469 20 5 BEBDRN C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000611377952 344495763 /nfs/dbraw/zinc/49/57/63/344495763.db2.gz ZSWIXJMTSFFQAD-QXEWZRGKSA-N 0 0 248.282 2.428 20 5 BEBDRN Cc1cnc(S[C@@H](C)CCO)c([N+](=O)[O-])c1 ZINC000085426945 344529659 /nfs/dbraw/zinc/52/96/59/344529659.db2.gz JLPLPHSKBKELIV-QMMMGPOBSA-N 0 0 242.300 2.161 20 5 BEBDRN COC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411432 344552817 /nfs/dbraw/zinc/55/28/17/344552817.db2.gz XPICERZRJBPQHG-UHFFFAOYSA-N 0 0 242.300 2.272 20 5 BEBDRN COCC1(C)CN(c2ccsc2[N+](=O)[O-])C1 ZINC000601156487 344567802 /nfs/dbraw/zinc/56/78/02/344567802.db2.gz RGQKVPXUPIAQBI-UHFFFAOYSA-N 0 0 242.300 2.129 20 5 BEBDRN CC(C)C[N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338935841 344593448 /nfs/dbraw/zinc/59/34/48/344593448.db2.gz YRMXAFFSTSGJDR-UHFFFAOYSA-N 0 0 238.287 2.388 20 5 BEBDRN CN(Cc1ccon1)c1sccc1[N+](=O)[O-] ZINC000611412575 344645614 /nfs/dbraw/zinc/64/56/14/344645614.db2.gz BXSXNXGJCJUQQZ-UHFFFAOYSA-N 0 0 239.256 2.281 20 5 BEBDRN C[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C[C@@H]1F ZINC000611494188 344745787 /nfs/dbraw/zinc/74/57/87/344745787.db2.gz GIFDOGYPYLHOJL-BDAKNGLRSA-N 0 0 239.250 2.174 20 5 BEBDRN COc1ccc(CN2CC=CCC2)cc1[N+](=O)[O-] ZINC000611517248 344748462 /nfs/dbraw/zinc/74/84/62/344748462.db2.gz LAQUILUTNFHRKG-UHFFFAOYSA-N 0 0 248.282 2.365 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC=CCC1 ZINC000611513423 344748774 /nfs/dbraw/zinc/74/87/74/344748774.db2.gz AIPTZIMJXZLQDU-UHFFFAOYSA-N 0 0 246.266 2.305 20 5 BEBDRN CCCC(=O)CSc1ncccc1[N+](=O)[O-] ZINC000289405213 344713864 /nfs/dbraw/zinc/71/38/64/344713864.db2.gz TZQBLNXXYBOMCT-UHFFFAOYSA-N 0 0 240.284 2.451 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N(C)CC2CC2)n1 ZINC000611616680 344774814 /nfs/dbraw/zinc/77/48/14/344774814.db2.gz MZJCQGDAMYINRQ-UHFFFAOYSA-N 0 0 235.287 2.453 20 5 BEBDRN Cc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)ncc1[N+](=O)[O-] ZINC000074766910 344754890 /nfs/dbraw/zinc/75/48/90/344754890.db2.gz WZBSYFMUZZRMFV-AOOOYVTPSA-N 0 0 247.298 2.390 20 5 BEBDRN CO[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000076291141 344800192 /nfs/dbraw/zinc/80/01/92/344800192.db2.gz RTTRUFAIXZUUHK-LBPRGKRZSA-N 0 0 236.271 2.210 20 5 BEBDRN CO[C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000076291142 344800266 /nfs/dbraw/zinc/80/02/66/344800266.db2.gz LIFQEHBNBJQTNX-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@H]2O)c(F)c1 ZINC000077994293 344829327 /nfs/dbraw/zinc/82/93/27/344829327.db2.gz XNDKRUSGKDFRRI-GHMZBOCLSA-N 0 0 240.234 2.059 20 5 BEBDRN CC(C)CCSc1ncc([N+](=O)[O-])c(N)n1 ZINC000078559991 344882997 /nfs/dbraw/zinc/88/29/97/344882997.db2.gz DERSQNBXAQSQPI-UHFFFAOYSA-N 0 0 242.304 2.105 20 5 BEBDRN C[C@H](CO)SCc1csc([N+](=O)[O-])c1 ZINC000079088946 344938512 /nfs/dbraw/zinc/93/85/12/344938512.db2.gz HFKDQEGSHIUFIM-ZCFIWIBFSA-N 0 0 233.314 2.270 20 5 BEBDRN CCN(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000079613142 345001636 /nfs/dbraw/zinc/00/16/36/345001636.db2.gz JHWSPCKUGZREFN-UHFFFAOYSA-N 0 0 247.254 2.168 20 5 BEBDRN CC1CC(NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000080055203 345092521 /nfs/dbraw/zinc/09/25/21/345092521.db2.gz FDMKHDCHWJSLNY-UHFFFAOYSA-N 0 0 248.282 2.052 20 5 BEBDRN C/C=C(\C)C(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000269262431 537892366 /nfs/dbraw/zinc/89/23/66/537892366.db2.gz AOTMPIHIPIRZLR-YCRREMRBSA-N 0 0 246.266 2.450 20 5 BEBDRN Cc1cnc(N[C@@H]2CC23CC3)c([N+](=O)[O-])c1 ZINC000425274412 192087214 /nfs/dbraw/zinc/08/72/14/192087214.db2.gz RADJNFAEWWCARS-SECBINFHSA-N 0 0 219.244 2.263 20 5 BEBDRN Cc1cc(NCCCO)c(Cl)cc1[N+](=O)[O-] ZINC000080530448 345282734 /nfs/dbraw/zinc/28/27/34/345282734.db2.gz VGAXXWQLTRUTSH-UHFFFAOYSA-N 0 0 244.678 2.351 20 5 BEBDRN Cc1ccc(N2CCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000080542189 345292731 /nfs/dbraw/zinc/29/27/31/345292731.db2.gz IKACTWLXZHBTDN-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1ccnc(N[C@H]2CC23CC3)c1[N+](=O)[O-] ZINC000425274063 192087129 /nfs/dbraw/zinc/08/71/29/192087129.db2.gz QGNOFYCFWFTZPY-QMMMGPOBSA-N 0 0 219.244 2.263 20 5 BEBDRN C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000408465568 345313683 /nfs/dbraw/zinc/31/36/83/345313683.db2.gz HMYVABMYUHBLQP-HTQZYQBOSA-N 0 0 239.250 2.221 20 5 BEBDRN O=[N+]([O-])c1ccc(Oc2cccnc2F)nc1 ZINC000084927785 345529848 /nfs/dbraw/zinc/52/98/48/345529848.db2.gz FQYDIGQZIFQRMB-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN O=[N+]([O-])c1cccnc1Oc1cccnc1F ZINC000084927810 345529876 /nfs/dbraw/zinc/52/98/76/345529876.db2.gz RTSKTAJHANEUHG-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCOC[C@H]2C)c1 ZINC000088700520 345543635 /nfs/dbraw/zinc/54/36/35/345543635.db2.gz ISFHHYNCSIUUNW-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN Cc1cc(Nc2ccccc2[N+](=O)[O-])nn1C ZINC000092826117 345644880 /nfs/dbraw/zinc/64/48/80/345644880.db2.gz JGNFTLNJZCFOIX-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000118038295 345677847 /nfs/dbraw/zinc/67/78/47/345677847.db2.gz KSDLDADVQUYAOY-UHFFFAOYSA-N 0 0 234.211 2.043 20 5 BEBDRN CC(C)(C)OC1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000418929758 192090182 /nfs/dbraw/zinc/09/01/82/192090182.db2.gz AEOKJGUOBSBXIN-UHFFFAOYSA-N 0 0 239.275 2.310 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCCc1ccccn1 ZINC000159280234 349936569 /nfs/dbraw/zinc/93/65/69/349936569.db2.gz KNKRNBCJGLRUAV-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN Cc1nc(C)c(CNc2ncccc2[N+](=O)[O-])o1 ZINC000142664941 345700919 /nfs/dbraw/zinc/70/09/19/345700919.db2.gz JJOKQYDFYHVROQ-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Nc1c([N+](=O)[O-])cnn1CCC1=CCCCC1 ZINC000418908449 192090661 /nfs/dbraw/zinc/09/06/61/192090661.db2.gz ZINWXGFQWBZKMU-UHFFFAOYSA-N 0 0 236.275 2.264 20 5 BEBDRN Cc1c(NCC[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000082997555 345799551 /nfs/dbraw/zinc/79/95/51/345799551.db2.gz MNYPGOLHHJUCPV-MRVPVSSYSA-N 0 0 224.260 2.086 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CC23CC3)cn1 ZINC000418992623 192092274 /nfs/dbraw/zinc/09/22/74/192092274.db2.gz OCEYAQMPYGQFTH-QMMMGPOBSA-N 0 0 219.244 2.202 20 5 BEBDRN CC1(C)[C@H](O)C[C@@H]1Nc1ccsc1[N+](=O)[O-] ZINC000309501234 347088366 /nfs/dbraw/zinc/08/83/66/347088366.db2.gz UZCUGYFZNBIHIM-JGVFFNPUSA-N 0 0 242.300 2.228 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC[C@H]2CCOC2)c1 ZINC000330795287 178930394 /nfs/dbraw/zinc/93/03/94/178930394.db2.gz DYLGWZDTHADEGN-JTQLQIEISA-N 0 0 237.255 2.319 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@](C)(O)C2)c1 ZINC000419000866 192097015 /nfs/dbraw/zinc/09/70/15/192097015.db2.gz OUTHUSJNIZRUPM-WVSHTKLVSA-N 0 0 236.271 2.229 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1CC2(C1)CCCC2 ZINC000614524385 346188135 /nfs/dbraw/zinc/18/81/35/346188135.db2.gz VJXLHZCZMCGIFP-UHFFFAOYSA-N 0 0 233.271 2.370 20 5 BEBDRN CSCCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000401120041 346213975 /nfs/dbraw/zinc/21/39/75/346213975.db2.gz CGSPJYSRVIRWFP-UHFFFAOYSA-N 0 0 245.279 2.294 20 5 BEBDRN Cc1cccc(C(=O)NCC2(C)CC2)c1[N+](=O)[O-] ZINC000357205004 179016243 /nfs/dbraw/zinc/01/62/43/179016243.db2.gz KQKULQNOXSGARP-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN Cc1cccc(C)c1Cn1cnc([N+](=O)[O-])c1 ZINC000133373017 179038837 /nfs/dbraw/zinc/03/88/37/179038837.db2.gz LOSUGJZIHVGBKM-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CC[C@@H](O)CCNc1ccc([N+](=O)[O-])s1 ZINC000309088918 349952511 /nfs/dbraw/zinc/95/25/11/349952511.db2.gz BKBOJGPBFNLWHV-SSDOTTSWSA-N 0 0 230.289 2.229 20 5 BEBDRN Cc1cccc(N(C)CC(C)(C)O)c1[N+](=O)[O-] ZINC000218854964 179115472 /nfs/dbraw/zinc/11/54/72/179115472.db2.gz UMBCHJOBKPLRHD-UHFFFAOYSA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1ccnc(N2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000588065816 346631023 /nfs/dbraw/zinc/63/10/23/346631023.db2.gz CNEFAFQNZIRNRC-ZJUUUORDSA-N 0 0 233.271 2.287 20 5 BEBDRN CCc1ccc([N+](=O)[O-])cc1NC[C@@H](C)CO ZINC000589569557 346713729 /nfs/dbraw/zinc/71/37/29/346713729.db2.gz XJUGKSRIKXTRMU-SECBINFHSA-N 0 0 238.287 2.198 20 5 BEBDRN Cc1cccc(NCCCCCO)c1[N+](=O)[O-] ZINC000228725276 179144162 /nfs/dbraw/zinc/14/41/62/179144162.db2.gz LYPNFEQGEBPNJL-UHFFFAOYSA-N 0 0 238.287 2.478 20 5 BEBDRN O=C(c1ccccc1[N+](=O)[O-])N1CC(C2CC2)C1 ZINC000589724976 346733528 /nfs/dbraw/zinc/73/35/28/346733528.db2.gz KECCFUQYDVAZRI-UHFFFAOYSA-N 0 0 246.266 2.077 20 5 BEBDRN Cc1cccc(NCc2nccn2C)c1[N+](=O)[O-] ZINC000218849827 179152209 /nfs/dbraw/zinc/15/22/09/179152209.db2.gz UVVMTXCKUKOPII-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cccc(N[C@@H]2C=C[C@H](CO)C2)c1[N+](=O)[O-] ZINC000277237218 179154637 /nfs/dbraw/zinc/15/46/37/179154637.db2.gz NYYMWQLMWYCDDU-WDEREUQCSA-N 0 0 248.282 2.252 20 5 BEBDRN Cc1cccc(OCC(C)(C)O)c1[N+](=O)[O-] ZINC000037694769 179164934 /nfs/dbraw/zinc/16/49/34/179164934.db2.gz ZQSBJEAGSUJEOH-UHFFFAOYSA-N 0 0 225.244 2.053 20 5 BEBDRN Cc1cccc(OCC2(C)COC2)c1[N+](=O)[O-] ZINC000339180665 179165030 /nfs/dbraw/zinc/16/50/30/179165030.db2.gz BYPNELJVBINROC-UHFFFAOYSA-N 0 0 237.255 2.319 20 5 BEBDRN Cc1n[nH]cc1CNc1sccc1[N+](=O)[O-] ZINC000309715300 347147304 /nfs/dbraw/zinc/14/73/04/347147304.db2.gz SPAIPKUTAGNECG-UHFFFAOYSA-N 0 0 238.272 2.300 20 5 BEBDRN Cc1nonc1COc1cccc(C)c1[N+](=O)[O-] ZINC000270163014 179172913 /nfs/dbraw/zinc/17/29/13/179172913.db2.gz YVOPUKYQZXSEKM-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN O=[N+]([O-])c1cccc2c1CCN2CCCF ZINC000183630346 347131871 /nfs/dbraw/zinc/13/18/71/347131871.db2.gz XAOXVZBNUZGVNR-UHFFFAOYSA-N 0 0 224.235 2.317 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C1CC1 ZINC000192926177 179206584 /nfs/dbraw/zinc/20/65/84/179206584.db2.gz SCQNUCJQEURJTI-SECBINFHSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@H](C)[C@@H](C)CO ZINC000156654523 179207067 /nfs/dbraw/zinc/20/70/67/179207067.db2.gz PXMFPZKENMYETM-VHSXEESVSA-N 0 0 238.287 2.332 20 5 BEBDRN C[C@H](O)CCCSc1ncccc1[N+](=O)[O-] ZINC000356047528 136747184 /nfs/dbraw/zinc/74/71/84/136747184.db2.gz SSRLTPLBNZILKV-QMMMGPOBSA-N 0 0 242.300 2.243 20 5 BEBDRN CC[C@H](Nc1ccc([N+](=O)[O-])s1)[C@@H](C)O ZINC000590721710 347493608 /nfs/dbraw/zinc/49/36/08/347493608.db2.gz MOHDMNWCVWNMEH-RQJHMYQMSA-N 0 0 230.289 2.228 20 5 BEBDRN CO[C@@H](C)CN(C)c1ccc([N+](=O)[O-])cc1 ZINC000196483141 347507542 /nfs/dbraw/zinc/50/75/42/347507542.db2.gz LWNDLHXLCICYFF-VIFPVBQESA-N 0 0 224.260 2.066 20 5 BEBDRN COc1ccc(OCC(F)F)cc1[N+](=O)[O-] ZINC000616268257 347519203 /nfs/dbraw/zinc/51/92/03/347519203.db2.gz NZCOPOWFXOEYBN-UHFFFAOYSA-N 0 0 233.170 2.247 20 5 BEBDRN C[C@H]1C[C@@H]1c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000590778869 347534876 /nfs/dbraw/zinc/53/48/76/347534876.db2.gz ZSAFUORKUARJII-WDSKDSINSA-N 0 0 235.199 2.361 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@H](C3CCC3)C2)nc1 ZINC000591204300 347630496 /nfs/dbraw/zinc/63/04/96/347630496.db2.gz QFMNRBULPVTBNP-JTQLQIEISA-N 0 0 248.286 2.011 20 5 BEBDRN COCC[C@H](C)CNc1cccnc1[N+](=O)[O-] ZINC000591186435 347631099 /nfs/dbraw/zinc/63/10/99/347631099.db2.gz JSAOQFTUEASMFQ-VIFPVBQESA-N 0 0 239.275 2.074 20 5 BEBDRN C[C@@H]1CN(c2ccncc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000591369059 347654779 /nfs/dbraw/zinc/65/47/79/347654779.db2.gz QFFPIVYWBXDNCF-UTLUCORTSA-N 0 0 235.287 2.471 20 5 BEBDRN Cc1ccccc1CNc1ncc([N+](=O)[O-])cn1 ZINC000040454725 179286267 /nfs/dbraw/zinc/28/62/67/179286267.db2.gz PELGBVFODSTTHK-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN COC(=O)c1ccc([N+](=O)[O-])c(CSC)c1 ZINC000593187885 347869838 /nfs/dbraw/zinc/86/98/38/347869838.db2.gz VEIDXXONAJQGAV-UHFFFAOYSA-N 0 0 241.268 2.244 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](CO)CCF)c1 ZINC000593508152 347901169 /nfs/dbraw/zinc/90/11/69/347901169.db2.gz FBPDMBBDVRVAJK-SECBINFHSA-N 0 0 242.250 2.036 20 5 BEBDRN O=[N+]([O-])c1cn(C[C@@H]2CC[C@H]3C[C@H]3C2)cn1 ZINC000594885369 348120511 /nfs/dbraw/zinc/12/05/11/348120511.db2.gz DJZYWLGVHXIIRQ-KXUCPTDWSA-N 0 0 221.260 2.228 20 5 BEBDRN O=[N+]([O-])c1cnn(CCCC2CCC2)c1 ZINC000594891337 348125249 /nfs/dbraw/zinc/12/52/49/348125249.db2.gz SYLVOKONUWQOGE-UHFFFAOYSA-N 0 0 209.249 2.372 20 5 BEBDRN CCc1ccc(OCC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000122842545 187389164 /nfs/dbraw/zinc/38/91/64/187389164.db2.gz SJBOTBDQFFHDCT-VIFPVBQESA-N 0 0 239.271 2.307 20 5 BEBDRN CC(C)(O)CSc1cccc([N+](=O)[O-])c1 ZINC000313457861 187392720 /nfs/dbraw/zinc/39/27/20/187392720.db2.gz HAQUYIQINKLXCZ-UHFFFAOYSA-N 0 0 227.285 2.458 20 5 BEBDRN O=c1[nH]ccc(NC2CCCC2)c1[N+](=O)[O-] ZINC000596056412 348434782 /nfs/dbraw/zinc/43/47/82/348434782.db2.gz YUURSZGXEKSFAE-UHFFFAOYSA-N 0 0 223.232 2.050 20 5 BEBDRN CCC(CC)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596055758 348434836 /nfs/dbraw/zinc/43/48/36/348434836.db2.gz NOKYSICDHLYAAX-UHFFFAOYSA-N 0 0 225.248 2.296 20 5 BEBDRN C[C@@H](F)CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596244103 348485989 /nfs/dbraw/zinc/48/59/89/348485989.db2.gz OTTBPJTXLAFWCC-ZCFIWIBFSA-N 0 0 247.657 2.225 20 5 BEBDRN Cc1ccnc(N2C[C@H](C)[C@H]2C)c1[N+](=O)[O-] ZINC000596247339 348486941 /nfs/dbraw/zinc/48/69/41/348486941.db2.gz KBLHNNVDBZLMIT-DTWKUNHWSA-N 0 0 221.260 2.143 20 5 BEBDRN Cc1cc(NC[C@H](C)CO)c([N+](=O)[O-])s1 ZINC000596087396 348443739 /nfs/dbraw/zinc/44/37/39/348443739.db2.gz DZOSDRVJFYVJSI-LURJTMIESA-N 0 0 230.289 2.005 20 5 BEBDRN Cc1ccnc(SC[C@@H](C)CO)c1[N+](=O)[O-] ZINC000085138052 179464715 /nfs/dbraw/zinc/46/47/15/179464715.db2.gz PHSKGAHSSHNFRM-ZETCQYMHSA-N 0 0 242.300 2.019 20 5 BEBDRN Cc1cc(N(C)CC(C)(C)O)c([N+](=O)[O-])s1 ZINC000596129410 348446730 /nfs/dbraw/zinc/44/67/30/348446730.db2.gz PJUJHILNQISUHD-UHFFFAOYSA-N 0 0 244.316 2.172 20 5 BEBDRN O=[N+]([O-])c1cnc(N2C[C@@H]3CCCC[C@@H]32)s1 ZINC000596295361 348489867 /nfs/dbraw/zinc/48/98/67/348489867.db2.gz VLSAUFHAPFBLNU-YUMQZZPRSA-N 0 0 239.300 2.430 20 5 BEBDRN Cc1cc(N(C)CC[C@H](C)O)c([N+](=O)[O-])s1 ZINC000596138062 348448990 /nfs/dbraw/zinc/44/89/90/348448990.db2.gz PICSNZXRYXCBIE-ZETCQYMHSA-N 0 0 244.316 2.172 20 5 BEBDRN COCCSc1c(Cl)cncc1[N+](=O)[O-] ZINC000596144049 348450454 /nfs/dbraw/zinc/45/04/54/348450454.db2.gz ATNIINVBRQHOOS-UHFFFAOYSA-N 0 0 248.691 2.382 20 5 BEBDRN CC[C@H](C)CN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596120676 348454183 /nfs/dbraw/zinc/45/41/83/348454183.db2.gz RMHGHOYNOUWHAE-QMMMGPOBSA-N 0 0 239.275 2.178 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1N1CC=CCC1 ZINC000596187547 348456886 /nfs/dbraw/zinc/45/68/86/348456886.db2.gz QIJPKPSIBMTXIF-UHFFFAOYSA-N 0 0 239.662 2.410 20 5 BEBDRN O=c1[nH]ccc(N2CC3(C2)CCCC3)c1[N+](=O)[O-] ZINC000596199553 348464602 /nfs/dbraw/zinc/46/46/02/348464602.db2.gz DIKXTWRKZRMARA-UHFFFAOYSA-N 0 0 249.270 2.076 20 5 BEBDRN CO[C@@H](C)CNc1cc(C)sc1[N+](=O)[O-] ZINC000596205097 348465901 /nfs/dbraw/zinc/46/59/01/348465901.db2.gz ZGMSYBBIJHJWDV-LURJTMIESA-N 0 0 230.289 2.412 20 5 BEBDRN O=c1[nH]ccc(N[C@@H]2CC23CCCC3)c1[N+](=O)[O-] ZINC000596210638 348467033 /nfs/dbraw/zinc/46/70/33/348467033.db2.gz PUSSWPFTNVJBQM-SECBINFHSA-N 0 0 249.270 2.440 20 5 BEBDRN C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000596247645 348471829 /nfs/dbraw/zinc/47/18/29/348471829.db2.gz KLYJWYXYQSXQMB-BQBZGAKWSA-N 0 0 241.678 2.488 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000596249475 348473157 /nfs/dbraw/zinc/47/31/57/348473157.db2.gz QBRGWYKIOHJORJ-JGVFFNPUSA-N 0 0 246.270 2.316 20 5 BEBDRN Cc1nc(N2CC[C@@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000596249468 348473169 /nfs/dbraw/zinc/47/31/69/348473169.db2.gz QAYQPYXLBRRPIN-MRVPVSSYSA-N 0 0 243.213 2.142 20 5 BEBDRN Cc1cnc(N2CC[C@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000596250151 348473198 /nfs/dbraw/zinc/47/31/98/348473198.db2.gz RPWQXXWTLPADOQ-ZETCQYMHSA-N 0 0 243.213 2.142 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H](F)C1 ZINC000596252327 348474317 /nfs/dbraw/zinc/47/43/17/348474317.db2.gz CDUFHMPGCWSUKQ-LURJTMIESA-N 0 0 245.641 2.191 20 5 BEBDRN Cc1ccnc(NCc2ccncc2)c1[N+](=O)[O-] ZINC000070495834 179452808 /nfs/dbraw/zinc/45/28/08/179452808.db2.gz FDNGNXINNARVQE-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CC1(C)CCC1 ZINC000596268566 348480910 /nfs/dbraw/zinc/48/09/10/348480910.db2.gz LYLWBDIDEKDISP-UHFFFAOYSA-N 0 0 236.271 2.255 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(=O)n1CCC1CCC1 ZINC000596268312 348481002 /nfs/dbraw/zinc/48/10/02/348481002.db2.gz JMEPKTKTADHYQL-UHFFFAOYSA-N 0 0 236.271 2.255 20 5 BEBDRN Cc1cc(N[C@H]2C[C@@](C)(O)C2)c([N+](=O)[O-])s1 ZINC000596272949 348493306 /nfs/dbraw/zinc/49/33/06/348493306.db2.gz YMPDJUQUHWAJPI-WKFQBHICSA-N 0 0 242.300 2.290 20 5 BEBDRN CC[C@@H](C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000596415344 348539829 /nfs/dbraw/zinc/53/98/29/348539829.db2.gz IYZROUOJUSAMEG-SECBINFHSA-N 0 0 223.276 2.260 20 5 BEBDRN CC[C@@H](C)CCNc1ccncc1[N+](=O)[O-] ZINC000596415476 348539960 /nfs/dbraw/zinc/53/99/60/348539960.db2.gz JULPUCZIABORGT-SECBINFHSA-N 0 0 223.276 2.260 20 5 BEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])s1)C1(CO)CC1 ZINC000596434632 348546461 /nfs/dbraw/zinc/54/64/61/348546461.db2.gz AUCKPGKCELLWTM-SSDOTTSWSA-N 0 0 242.300 2.229 20 5 BEBDRN C[C@H](Nc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000596438237 348547454 /nfs/dbraw/zinc/54/74/54/348547454.db2.gz QNWDKNXZYANWNE-VIFPVBQESA-N 0 0 236.271 2.168 20 5 BEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)C1(CO)CC1 ZINC000596438236 348547815 /nfs/dbraw/zinc/54/78/15/348547815.db2.gz QNWDKNXZYANWNE-SECBINFHSA-N 0 0 236.271 2.168 20 5 BEBDRN Cc1cn(CC2(C)CCC2)nc1[N+](=O)[O-] ZINC000596278444 348495116 /nfs/dbraw/zinc/49/51/16/348495116.db2.gz NAQSXMNGLFWJLM-UHFFFAOYSA-N 0 0 209.249 2.290 20 5 BEBDRN Cc1noc(CSCCCF)c1[N+](=O)[O-] ZINC000596344496 348501467 /nfs/dbraw/zinc/50/14/67/348501467.db2.gz HJYHUBYPMUQMAO-UHFFFAOYSA-N 0 0 234.252 2.484 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@]23C[C@@H]2CCC3)c(F)c1 ZINC000596315649 348505040 /nfs/dbraw/zinc/50/50/40/348505040.db2.gz DTNHOABHGZCLHD-CPCISQLKSA-N 0 0 237.234 2.483 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@]23C[C@H]2CCC3)cn1 ZINC000596316299 348505504 /nfs/dbraw/zinc/50/55/04/348505504.db2.gz IQTCEZQAMVOPFK-LDYMZIIASA-N 0 0 219.244 2.344 20 5 BEBDRN CCSCc1onc(C)c1[N+](=O)[O-] ZINC000596330524 348509815 /nfs/dbraw/zinc/50/98/15/348509815.db2.gz SVDXXHKIABJRQB-UHFFFAOYSA-N 0 0 202.235 2.144 20 5 BEBDRN CCn1nccc1-c1cnc(C)c([N+](=O)[O-])c1 ZINC000596628135 348596769 /nfs/dbraw/zinc/59/67/69/348596769.db2.gz AXZKIQYZOJKCGD-UHFFFAOYSA-N 0 0 232.243 2.182 20 5 BEBDRN C[C@]12COC[C@H]1CN(c1ccccc1[N+](=O)[O-])C2 ZINC000596483477 348557828 /nfs/dbraw/zinc/55/78/28/348557828.db2.gz PBNLSEDPAOVRLY-MFKMUULPSA-N 0 0 248.282 2.068 20 5 BEBDRN Cc1ccc(N[C@@H]2CO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000401902013 348651115 /nfs/dbraw/zinc/65/11/15/348651115.db2.gz FVASMFUMEGWDTQ-UWVGGRQHSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cnccc1CNc1ncccc1[N+](=O)[O-] ZINC000228700366 179704200 /nfs/dbraw/zinc/70/42/00/179704200.db2.gz XTPMVLRHUVUUGI-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC(C)(F)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000598197141 348907545 /nfs/dbraw/zinc/90/75/45/348907545.db2.gz VTSOCNZWCSCWRR-UHFFFAOYSA-N 0 0 244.222 2.056 20 5 BEBDRN C[C@H]1C[C@H](Nc2c(F)cccc2[N+](=O)[O-])CO1 ZINC000401976913 349002939 /nfs/dbraw/zinc/00/29/39/349002939.db2.gz WBNGFSWWQHHOTQ-YUMQZZPRSA-N 0 0 240.234 2.323 20 5 BEBDRN O=C(NCC1=CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000598379415 348952222 /nfs/dbraw/zinc/95/22/22/348952222.db2.gz SWMVDHIATYYLRV-UHFFFAOYSA-N 0 0 246.266 2.435 20 5 BEBDRN C[C@@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])CO1 ZINC000401974783 349000603 /nfs/dbraw/zinc/00/06/03/349000603.db2.gz RVXLHVYORJXLEY-VXNVDRBHSA-N 0 0 240.234 2.323 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC[C@@H]2CC2(F)F)cn1 ZINC000598634635 349005346 /nfs/dbraw/zinc/00/53/46/349005346.db2.gz AFCDAIJHGWISNK-SSDOTTSWSA-N 0 0 243.213 2.447 20 5 BEBDRN O=[N+]([O-])c1c2ccncc2ccc1N1CC(F)C1 ZINC000599066155 349086333 /nfs/dbraw/zinc/08/63/33/349086333.db2.gz ROOWHPDEHAENKW-UHFFFAOYSA-N 0 0 247.229 2.301 20 5 BEBDRN Cc1nc(NCC2CC=CC2)ccc1[N+](=O)[O-] ZINC000599128338 349102692 /nfs/dbraw/zinc/10/26/92/349102692.db2.gz XJSHIQLNMTZSFA-UHFFFAOYSA-N 0 0 233.271 2.098 20 5 BEBDRN CCC(F)(F)CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000599148661 349105394 /nfs/dbraw/zinc/10/53/94/349105394.db2.gz KECOUFGSBCLSQS-UHFFFAOYSA-N 0 0 245.229 2.177 20 5 BEBDRN CCC(F)(F)CNc1ccc([N+](=O)[O-])cn1 ZINC000599149825 349105942 /nfs/dbraw/zinc/10/59/42/349105942.db2.gz RKDLLRNNQJEBDT-UHFFFAOYSA-N 0 0 231.202 2.447 20 5 BEBDRN Cc1cccc(NC[C@H]2C[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599174998 349112789 /nfs/dbraw/zinc/11/27/89/349112789.db2.gz QEJRTKDDHAJELA-AOOOYVTPSA-N 0 0 236.271 2.086 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[C@@H](O)C1 ZINC000599175004 349112842 /nfs/dbraw/zinc/11/28/42/349112842.db2.gz QNKCORFUBCFBID-JGZJWPJOSA-N 0 0 236.271 2.086 20 5 BEBDRN O=C(NCc1cccc([N+](=O)[O-])c1)C12CC(C1)C2 ZINC000599188406 349113988 /nfs/dbraw/zinc/11/39/88/349113988.db2.gz FKFRDWFDIOJCGY-UHFFFAOYSA-N 0 0 246.266 2.011 20 5 BEBDRN CO[C@H]1C[C@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000599189816 349114605 /nfs/dbraw/zinc/11/46/05/349114605.db2.gz NNHDYGYGXUNZIJ-LJGSYFOKSA-N 0 0 228.273 2.246 20 5 BEBDRN CO[C@H](C)CCNc1sccc1[N+](=O)[O-] ZINC000308956122 349202776 /nfs/dbraw/zinc/20/27/76/349202776.db2.gz QPUDBWAEYIDASV-SSDOTTSWSA-N 0 0 230.289 2.493 20 5 BEBDRN C[C@H]1CC[C@H]1Nc1cccnc1[N+](=O)[O-] ZINC000309039865 349367322 /nfs/dbraw/zinc/36/73/22/349367322.db2.gz JCGKLPCDRKNOIJ-JGVFFNPUSA-N 0 0 207.233 2.200 20 5 BEBDRN CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)[C@H](C)C1 ZINC000601930669 349383577 /nfs/dbraw/zinc/38/35/77/349383577.db2.gz CWQHJASIPNZMHC-MRVPVSSYSA-N 0 0 247.254 2.344 20 5 BEBDRN Cc1nc(NC(=O)CC(C)C)ccc1[N+](=O)[O-] ZINC000175668847 180006942 /nfs/dbraw/zinc/00/69/42/180006942.db2.gz XAUUIOXVQHNQGD-UHFFFAOYSA-N 0 0 237.259 2.283 20 5 BEBDRN Cc1nc(NC(=O)[C@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000153714706 180012125 /nfs/dbraw/zinc/01/21/25/180012125.db2.gz KMVUCDPTSGTWBR-MRVPVSSYSA-N 0 0 249.270 2.283 20 5 BEBDRN Cc1nc(NC[C@H]2CC=CCC2)ncc1[N+](=O)[O-] ZINC000295465988 180019303 /nfs/dbraw/zinc/01/93/03/180019303.db2.gz IEMFSGYGCUGRHH-JTQLQIEISA-N 0 0 248.286 2.461 20 5 BEBDRN Cc1nc(N[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000161545641 180023850 /nfs/dbraw/zinc/02/38/50/180023850.db2.gz JYPYGCCDNYMMOA-HTRCEHHLSA-N 0 0 207.233 2.119 20 5 BEBDRN Cc1nc(S[C@H](C)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000230185767 180033174 /nfs/dbraw/zinc/03/31/74/180033174.db2.gz KOQDNLSDMAZNSM-JGVFFNPUSA-N 0 0 242.300 2.160 20 5 BEBDRN CC[C@H](CCO)Nc1ccc([N+](=O)[O-])s1 ZINC000309168673 350114101 /nfs/dbraw/zinc/11/41/01/350114101.db2.gz KGBTVRJIEUURKG-SSDOTTSWSA-N 0 0 230.289 2.229 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000054547774 350200600 /nfs/dbraw/zinc/20/06/00/350200600.db2.gz HZWATFUPMZWNSQ-KCJUWKMLSA-N 0 0 246.266 2.140 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CC1(C)CCC1 ZINC000336257769 180175628 /nfs/dbraw/zinc/17/56/28/180175628.db2.gz UCHDLRHWHORXGF-UHFFFAOYSA-N 0 0 209.249 2.290 20 5 BEBDRN O=C(Nc1ccc(F)cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000007070642 350216095 /nfs/dbraw/zinc/21/60/95/350216095.db2.gz WESAYXQQFJHSKE-UHFFFAOYSA-N 0 0 249.201 2.314 20 5 BEBDRN CC(C)[C@](C)(O)CNc1ccc([N+](=O)[O-])s1 ZINC000309312038 350275438 /nfs/dbraw/zinc/27/54/38/350275438.db2.gz CCYRNUJJNVVYRG-SNVBAGLBSA-N 0 0 244.316 2.475 20 5 BEBDRN CC(C)[C@@H](CO)CNc1ccc([N+](=O)[O-])s1 ZINC000309421878 350375285 /nfs/dbraw/zinc/37/52/85/350375285.db2.gz ZVLRWUMFIRYHIP-MRVPVSSYSA-N 0 0 244.316 2.333 20 5 BEBDRN O=C(Nc1cccc(F)c1)c1cc([N+](=O)[O-])c[nH]1 ZINC000050823643 350392385 /nfs/dbraw/zinc/39/23/85/350392385.db2.gz GMMOWOGLTNWNPR-UHFFFAOYSA-N 0 0 249.201 2.314 20 5 BEBDRN Cc1nn(C)c(N[C@@H]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000133337520 180360217 /nfs/dbraw/zinc/36/02/17/180360217.db2.gz FXRKFVQPUGFRNT-IONNQARKSA-N 0 0 238.291 2.237 20 5 BEBDRN Cc1nn(C)c(N[C@@H]2CCC[C@H]2C)c1[N+](=O)[O-] ZINC000071208318 180359426 /nfs/dbraw/zinc/35/94/26/180359426.db2.gz DYRAFUXZNCPCNH-VXNVDRBHSA-N 0 0 238.291 2.237 20 5 BEBDRN Cc1nn(CCC2CC2)c(C)c1[N+](=O)[O-] ZINC000340572914 180388020 /nfs/dbraw/zinc/38/80/20/180388020.db2.gz VZSRYJKGNZZVIC-UHFFFAOYSA-N 0 0 209.249 2.208 20 5 BEBDRN Cc1nn(CCOc2ccccc2)cc1[N+](=O)[O-] ZINC000181824120 180389577 /nfs/dbraw/zinc/38/95/77/180389577.db2.gz UIPMYHPBGRXSQY-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CCC[C@@H]1C(F)F ZINC000343922317 351007902 /nfs/dbraw/zinc/00/79/02/351007902.db2.gz TZXBIDSCGKJBIQ-SSDOTTSWSA-N 0 0 243.213 2.224 20 5 BEBDRN C[C@@H]1CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000343985422 351006226 /nfs/dbraw/zinc/00/62/26/351006226.db2.gz NZEQNZVVKXFEQK-BXKDBHETSA-N 0 0 248.282 2.052 20 5 BEBDRN CCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000052604805 351054529 /nfs/dbraw/zinc/05/45/29/351054529.db2.gz VATUAERYDOWFDY-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN CC(C)[C@H](C)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000344421660 351124838 /nfs/dbraw/zinc/12/48/38/351124838.db2.gz PJIPLORBPYRVPO-VIFPVBQESA-N 0 0 223.276 2.471 20 5 BEBDRN CC[C@@H](Nc1cc(C)ccc1[N+](=O)[O-])[C@@H](C)O ZINC000386654413 363024454 /nfs/dbraw/zinc/02/44/54/363024454.db2.gz CHVHMDMOORPLGS-NXEZZACHSA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1cnc(CNCc2ccc([N+](=O)[O-])cc2)o1 ZINC000231787811 351341531 /nfs/dbraw/zinc/34/15/31/351341531.db2.gz CGINLGQUAKHFQK-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000076486137 363051391 /nfs/dbraw/zinc/05/13/91/363051391.db2.gz ROJKTSFWBUWFQR-UHFFFAOYSA-N 0 0 223.232 2.078 20 5 BEBDRN CC(C)(CCC(=O)N[C@@H]1CC=CCC1)[N+](=O)[O-] ZINC000295962532 187526233 /nfs/dbraw/zinc/52/62/33/187526233.db2.gz VFEGSHYEBVEFLC-SNVBAGLBSA-N 0 0 240.303 2.047 20 5 BEBDRN CCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000307336766 352055641 /nfs/dbraw/zinc/05/56/41/352055641.db2.gz SKXIMFFNZFXPIK-UHFFFAOYSA-N 0 0 201.613 2.075 20 5 BEBDRN COC[C@H](Nc1ncccc1[N+](=O)[O-])C(C)C ZINC000086703237 352520198 /nfs/dbraw/zinc/52/01/98/352520198.db2.gz RFQUIZGPNIENNX-VIFPVBQESA-N 0 0 239.275 2.073 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@H]1CCCC1(C)C ZINC000124482888 180774469 /nfs/dbraw/zinc/77/44/69/180774469.db2.gz CJICQICVDOEKME-QMMMGPOBSA-N 0 0 238.291 2.319 20 5 BEBDRN COc1ccccc1Oc1c([N+](=O)[O-])ncn1C ZINC000008308541 352645887 /nfs/dbraw/zinc/64/58/87/352645887.db2.gz IKJZITRUEJDDLU-UHFFFAOYSA-N 0 0 249.226 2.129 20 5 BEBDRN CC(C)Cc1noc(-c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000346131254 187873549 /nfs/dbraw/zinc/87/35/49/187873549.db2.gz NPKNSXVGZCQKOR-UHFFFAOYSA-N 0 0 236.231 2.171 20 5 BEBDRN CC[C@H]1CCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000294058545 187862229 /nfs/dbraw/zinc/86/22/29/187862229.db2.gz PNWVJHPGXOETDB-ZETCQYMHSA-N 0 0 240.284 2.281 20 5 BEBDRN CC(C)=CCOc1ccc([N+](=O)[O-])c(CO)c1 ZINC000340709371 187866926 /nfs/dbraw/zinc/86/69/26/187866926.db2.gz QRYJGNLZUKWJJO-UHFFFAOYSA-N 0 0 237.255 2.432 20 5 BEBDRN O=[N+]([O-])c1cc(CNCc2cccnc2)cs1 ZINC000037562620 358473737 /nfs/dbraw/zinc/47/37/37/358473737.db2.gz FOBRLULHLDOKHT-UHFFFAOYSA-N 0 0 249.295 2.341 20 5 BEBDRN CCn1nccc1CNc1ccc([N+](=O)[O-])cc1 ZINC000160048227 353118023 /nfs/dbraw/zinc/11/80/23/353118023.db2.gz SOYTVGFQVUOTIM-UHFFFAOYSA-N 0 0 246.270 2.423 20 5 BEBDRN CC(C)[C@H]1CCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000335319716 535200365 /nfs/dbraw/zinc/20/03/65/535200365.db2.gz WOEZQIGAJRKECU-GFCCVEGCSA-N 0 0 248.282 2.465 20 5 BEBDRN CC(C)=CCCNc1c([N+](=O)[O-])ncn1C ZINC000276705309 188094074 /nfs/dbraw/zinc/09/40/74/188094074.db2.gz IRLCEICDRROANN-UHFFFAOYSA-N 0 0 224.264 2.097 20 5 BEBDRN Cc1ccc(NCC(C)(C)CO)c([N+](=O)[O-])c1 ZINC000126364590 188219996 /nfs/dbraw/zinc/21/99/96/188219996.db2.gz YVYJRVBILRLKGQ-UHFFFAOYSA-N 0 0 238.287 2.334 20 5 BEBDRN C/C=C/C[C@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000274512089 188200735 /nfs/dbraw/zinc/20/07/35/188200735.db2.gz UWFNNYILFXKYRN-VMZHVLLKSA-N 0 0 236.271 2.334 20 5 BEBDRN CCN(C[C@@H](C)O)c1cc(C)ccc1[N+](=O)[O-] ZINC000343272387 353294390 /nfs/dbraw/zinc/29/43/90/353294390.db2.gz QJSVLLUOIVJHCB-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN O=[N+]([O-])c1ncc(Cl)cc1OC1CC1 ZINC000095735916 188500014 /nfs/dbraw/zinc/50/00/14/188500014.db2.gz XEJIMDBMQHKRHG-UHFFFAOYSA-N 0 0 214.608 2.184 20 5 BEBDRN Cc1ccc(OCC2(C)COC2)c([N+](=O)[O-])c1 ZINC000345449063 353814054 /nfs/dbraw/zinc/81/40/54/353814054.db2.gz UVCCOUJYNIPHPI-UHFFFAOYSA-N 0 0 237.255 2.319 20 5 BEBDRN CCc1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000345455231 353818892 /nfs/dbraw/zinc/81/88/92/353818892.db2.gz FMUOBQDLLHONIM-UHFFFAOYSA-N 0 0 219.200 2.207 20 5 BEBDRN CC(C)[C@H](O)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000134963484 188582324 /nfs/dbraw/zinc/58/23/24/188582324.db2.gz JOKBICJSOCRFOK-LLVKDONJSA-N 0 0 242.250 2.163 20 5 BEBDRN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]1C1CC1 ZINC000334672766 354415349 /nfs/dbraw/zinc/41/53/49/354415349.db2.gz XMRNTFIOCYGOSR-LLVKDONJSA-N 0 0 246.266 2.219 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1[C@H]1C=CCCC1 ZINC000335952801 134022097 /nfs/dbraw/zinc/02/20/97/134022097.db2.gz DGFXEMXQHVUWJD-VIFPVBQESA-N 0 0 207.233 2.381 20 5 BEBDRN CC1(NC(=O)c2csc([N+](=O)[O-])c2)CCC1 ZINC000179277875 366236114 /nfs/dbraw/zinc/23/61/14/366236114.db2.gz DQDLMDMMDZHJKL-UHFFFAOYSA-N 0 0 240.284 2.329 20 5 BEBDRN Cc1c(C(=O)NC[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000032394078 355223493 /nfs/dbraw/zinc/22/34/93/355223493.db2.gz WXPYBOIUYSTFRE-WPRPVWTQSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1nn(C)c(N[C@@H]2C[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000413441367 191383974 /nfs/dbraw/zinc/38/39/74/191383974.db2.gz SWSIXZZUGAVBKZ-DTWKUNHWSA-N 0 0 238.291 2.093 20 5 BEBDRN CC1(C)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413512956 191392225 /nfs/dbraw/zinc/39/22/25/191392225.db2.gz YCOBCORTPAUFAH-QMMMGPOBSA-N 0 0 225.223 2.339 20 5 BEBDRN O=[N+]([O-])c1ccc2ccnc(N3CC(F)C3)c2c1 ZINC000413238978 191363856 /nfs/dbraw/zinc/36/38/56/191363856.db2.gz SPFWLEGNQMOJDK-UHFFFAOYSA-N 0 0 247.229 2.301 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2C[C@@H]2C(F)F)c(F)c1 ZINC000413296317 191368567 /nfs/dbraw/zinc/36/85/67/191368567.db2.gz QENYMEIGGQJFES-FSPLSTOPSA-N 0 0 247.176 2.194 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](F)C2)c(F)c1 ZINC000413299249 191370516 /nfs/dbraw/zinc/37/05/16/191370516.db2.gz LUTPPDANNZOZSX-BQBZGAKWSA-N 0 0 243.213 2.431 20 5 BEBDRN CCC1CN(c2nccc(C)c2[N+](=O)[O-])C1 ZINC000413359572 191374429 /nfs/dbraw/zinc/37/44/29/191374429.db2.gz HGHOVNRMUYLQJP-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN CCC1CN(c2ncc(C)cc2[N+](=O)[O-])C1 ZINC000413361161 191375388 /nfs/dbraw/zinc/37/53/88/191375388.db2.gz JXQHOTLAJLGURS-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN CCC1CN(c2ccc([N+](=O)[O-])c(C)n2)C1 ZINC000413368835 191376577 /nfs/dbraw/zinc/37/65/77/191376577.db2.gz SIIUMFSFSYHFML-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN Cc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000032516994 355526495 /nfs/dbraw/zinc/52/64/95/355526495.db2.gz JUNUGNACPKVQHV-PSASIEDQSA-N 0 0 234.255 2.498 20 5 BEBDRN C[C@H]1C[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000053104049 355808252 /nfs/dbraw/zinc/80/82/52/355808252.db2.gz JNKVYBDJXTZIBH-BQBZGAKWSA-N 0 0 240.284 2.042 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1N[C@@H]1CCOC1 ZINC000087787938 355852973 /nfs/dbraw/zinc/85/29/73/355852973.db2.gz SZJNZYNUQNRYKJ-SSDOTTSWSA-N 0 0 242.662 2.449 20 5 BEBDRN O=[N+]([O-])c1ccc(OCC2CCC2)cc1CO ZINC000428086980 191874859 /nfs/dbraw/zinc/87/48/59/191874859.db2.gz FABGEWJCCZNYHS-UHFFFAOYSA-N 0 0 237.255 2.266 20 5 BEBDRN C[C@H](NC(=O)[C@H]1C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000049249063 356396682 /nfs/dbraw/zinc/39/66/82/356396682.db2.gz SWNRTKMQIUYSST-PTRXPTGYSA-N 0 0 248.282 2.428 20 5 BEBDRN Cc1cc(N2CC[C@]23CCOC3)ccc1[N+](=O)[O-] ZINC000420634400 192252087 /nfs/dbraw/zinc/25/20/87/192252087.db2.gz CXJFOBFQCCKJPP-CYBMUJFWSA-N 0 0 248.282 2.272 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@H]2C2CC2)cn1 ZINC000609797181 356472865 /nfs/dbraw/zinc/47/28/65/356472865.db2.gz LOBGNASYWMLGMU-NSHDSACASA-N 0 0 233.271 2.369 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OC[C@H]1C[C@@H](O)C1 ZINC000421217485 192315984 /nfs/dbraw/zinc/31/59/84/192315984.db2.gz QWFABCJLOCCKCE-JGZJWPJOSA-N 0 0 237.255 2.053 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC3(C2)CCCC3)cn1 ZINC000450454477 202169621 /nfs/dbraw/zinc/16/96/21/202169621.db2.gz SAPUUVMJHHMXDD-UHFFFAOYSA-N 0 0 233.271 2.370 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC2(O)CCC2)c1 ZINC000088721335 356795241 /nfs/dbraw/zinc/79/52/41/356795241.db2.gz PIDXYMMIHCDZJX-UHFFFAOYSA-N 0 0 236.271 2.230 20 5 BEBDRN Cc1nc(N2CCCC23CCC3)ncc1[N+](=O)[O-] ZINC000450484960 202182678 /nfs/dbraw/zinc/18/26/78/202182678.db2.gz MWYKFCBCDNKIPI-UHFFFAOYSA-N 0 0 248.286 2.216 20 5 BEBDRN O=[N+]([O-])c1ccc(NC(CF)CF)c(F)c1 ZINC000450589775 202204331 /nfs/dbraw/zinc/20/43/31/202204331.db2.gz LPDZRNXMJRYWCV-UHFFFAOYSA-N 0 0 234.177 2.453 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](F)C1 ZINC000450602170 202209782 /nfs/dbraw/zinc/20/97/82/202209782.db2.gz QROFDZGLHUDAOK-SECBINFHSA-N 0 0 224.235 2.451 20 5 BEBDRN COCc1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000351143316 357139288 /nfs/dbraw/zinc/13/92/88/357139288.db2.gz GEILQRLYORMLLE-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NCCn1cccn1 ZINC000053734617 357161913 /nfs/dbraw/zinc/16/19/13/357161913.db2.gz OSFWOOMRPCRJCI-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CC2(CC2)C1 ZINC000583065562 357471631 /nfs/dbraw/zinc/47/16/31/357471631.db2.gz LLKSSUVKPYYGDO-UHFFFAOYSA-N 0 0 239.662 2.243 20 5 BEBDRN C[C@H]1CCC[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000230697200 357567836 /nfs/dbraw/zinc/56/78/36/357567836.db2.gz GCELMDJIBLEABG-IUCAKERBSA-N 0 0 238.291 2.176 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCc2ncccn2)c1 ZINC000191712085 357789460 /nfs/dbraw/zinc/78/94/60/357789460.db2.gz HTLHGSCXFFDUKT-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1SC[C@H](C)CO ZINC000085137826 134223966 /nfs/dbraw/zinc/22/39/66/134223966.db2.gz ALNOCOOSYRDBLL-SSDOTTSWSA-N 0 0 242.300 2.019 20 5 BEBDRN Cc1cccc(C(=O)N2CC(C)(C)C2)c1[N+](=O)[O-] ZINC000619147091 358004029 /nfs/dbraw/zinc/00/40/29/358004029.db2.gz MZAJBGWAWYRSME-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN CC(C)=CC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000053217651 358128462 /nfs/dbraw/zinc/12/84/62/358128462.db2.gz ZXWYLYLAKJLYPY-UHFFFAOYSA-N 0 0 248.282 2.220 20 5 BEBDRN CCN(c1ccc([N+](=O)[O-])c(C)c1)C1COC1 ZINC000450657485 202229367 /nfs/dbraw/zinc/22/93/67/202229367.db2.gz ZRSSSIXVCGPJCC-UHFFFAOYSA-N 0 0 236.271 2.128 20 5 BEBDRN CC1(C)C[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000226389082 534919470 /nfs/dbraw/zinc/91/94/70/534919470.db2.gz LJIGKVRVARRKTA-QMMMGPOBSA-N 0 0 221.260 2.448 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1CN1CC=CCC1 ZINC000619531716 358706658 /nfs/dbraw/zinc/70/66/58/358706658.db2.gz LHDADHLFRXLFOB-UHFFFAOYSA-N 0 0 248.282 2.365 20 5 BEBDRN COCCCCCNc1cccnc1[N+](=O)[O-] ZINC000224295422 358999980 /nfs/dbraw/zinc/99/99/80/358999980.db2.gz FXVYYCRTCAMYLV-UHFFFAOYSA-N 0 0 239.275 2.218 20 5 BEBDRN O=[N+]([O-])c1ccc(OCc2ccon2)c(F)c1 ZINC000076423882 359280513 /nfs/dbraw/zinc/28/05/13/359280513.db2.gz INFROTCTIXFHJS-UHFFFAOYSA-N 0 0 238.174 2.301 20 5 BEBDRN Cc1n[nH]cc1Nc1sccc1[N+](=O)[O-] ZINC000611412582 359362538 /nfs/dbraw/zinc/36/25/38/359362538.db2.gz WODNIRMJGOKQRE-UHFFFAOYSA-N 0 0 224.245 2.431 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn(CCC(C)(F)F)c1=O ZINC000450888216 202298064 /nfs/dbraw/zinc/29/80/64/202298064.db2.gz KXFZSZWOMJYPKB-UHFFFAOYSA-N 0 0 246.213 2.110 20 5 BEBDRN Cc1nn(CC[C@@H](C)O)c2ccc([N+](=O)[O-])cc12 ZINC000450889248 202299045 /nfs/dbraw/zinc/29/90/45/202299045.db2.gz QHOLCZFVCXHYST-MRVPVSSYSA-N 0 0 249.270 2.024 20 5 BEBDRN Cc1nn(C[C@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000450966100 202320929 /nfs/dbraw/zinc/32/09/29/202320929.db2.gz YOOUAKZXJUYWKX-SECBINFHSA-N 0 0 239.275 2.057 20 5 BEBDRN Cc1nn(CC(=O)CCC(C)C)cc1[N+](=O)[O-] ZINC000450964745 202321995 /nfs/dbraw/zinc/32/19/95/202321995.db2.gz WENVHSNFLYXQKU-UHFFFAOYSA-N 0 0 239.275 2.105 20 5 BEBDRN O=[N+]([O-])c1sccc1NCC(F)F ZINC000306475195 360100290 /nfs/dbraw/zinc/10/02/90/360100290.db2.gz WYIPNZIHYROYLX-UHFFFAOYSA-N 0 0 208.189 2.333 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCCc1ccco1 ZINC000037975296 360625444 /nfs/dbraw/zinc/62/54/44/360625444.db2.gz VJYQKJCFOMMSAG-UHFFFAOYSA-N 0 0 233.227 2.237 20 5 BEBDRN Cc1ccc(CNc2c([N+](=O)[O-])ncn2C)cc1 ZINC000007124396 361386276 /nfs/dbraw/zinc/38/62/76/361386276.db2.gz HRTNOVIVYXOATH-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN CC1(COc2cc(F)cc([N+](=O)[O-])c2)COC1 ZINC000433427317 201185253 /nfs/dbraw/zinc/18/52/53/201185253.db2.gz JTDSGYVKNJXTHD-UHFFFAOYSA-N 0 0 241.218 2.149 20 5 BEBDRN CN(c1nn(C)cc1[N+](=O)[O-])C1CCCCC1 ZINC001641969889 1172310831 /nfs/dbraw/zinc/31/08/31/1172310831.db2.gz HNRHVJIGOFJAKZ-UHFFFAOYSA-N 0 0 238.291 2.097 20 5 BEBDRN CC1CC(Nc2cccnc2[N+](=O)[O-])C1 ZINC000128899998 364023944 /nfs/dbraw/zinc/02/39/44/364023944.db2.gz NPAWUTYLLDUGGI-UHFFFAOYSA-N 0 0 207.233 2.200 20 5 BEBDRN CC(C)(C)CCCn1ncc([N+](=O)[O-])c1N ZINC000275410200 364218726 /nfs/dbraw/zinc/21/87/26/364218726.db2.gz CGLSAWODXUDWGY-UHFFFAOYSA-N 0 0 226.280 2.200 20 5 BEBDRN Nc1ccc(-c2nc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000037605917 364265167 /nfs/dbraw/zinc/26/51/67/364265167.db2.gz BEANFKLLKAIEJU-UHFFFAOYSA-N 0 0 246.226 2.104 20 5 BEBDRN Cc1ccc(CNc2cccnn2)cc1[N+](=O)[O-] ZINC000191838166 219938523 /nfs/dbraw/zinc/93/85/23/219938523.db2.gz JGUBQMIJQNIAQE-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC[C@H](O)COc1cccc([N+](=O)[O-])c1C ZINC000037694774 364525309 /nfs/dbraw/zinc/52/53/09/364525309.db2.gz HYKNZHWRIQSKQR-VIFPVBQESA-N 0 0 225.244 2.053 20 5 BEBDRN O=[N+]([O-])c1cccc(NC[C@H]2CCCOC2)c1 ZINC000038046285 364578267 /nfs/dbraw/zinc/57/82/67/364578267.db2.gz KGVWLUREACCBGQ-SNVBAGLBSA-N 0 0 236.271 2.433 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC(C)(C)C1 ZINC000619146495 364707513 /nfs/dbraw/zinc/70/75/13/364707513.db2.gz ADJWXOZJTCKJOI-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN O=C(CSCc1ccc(Cl)s1)NO ZINC000379359486 541454900 /nfs/dbraw/zinc/45/49/00/541454900.db2.gz YSAMKROCCUAMCG-UHFFFAOYSA-N 0 0 237.733 2.140 20 5 BEBDRN CCCN(c1ncc([N+](=O)[O-])c(C)n1)C(C)C ZINC000579730066 366996638 /nfs/dbraw/zinc/99/66/38/366996638.db2.gz BAKGGFYUYXXARV-UHFFFAOYSA-N 0 0 238.291 2.318 20 5 BEBDRN CC(C)(C)OCCOc1cccnc1[N+](=O)[O-] ZINC000183182928 366989402 /nfs/dbraw/zinc/98/94/02/366989402.db2.gz FHXAMHOBZYUSPF-UHFFFAOYSA-N 0 0 240.259 2.184 20 5 BEBDRN Cc1nc(N[C@@H]2C=CCCC2)ncc1[N+](=O)[O-] ZINC000450374675 201456568 /nfs/dbraw/zinc/45/65/68/201456568.db2.gz CFYDDMFBKYPOIV-SECBINFHSA-N 0 0 234.259 2.214 20 5 BEBDRN O=C(Nc1ccccn1)c1ccc([N+](=O)[O-])s1 ZINC000027653579 368239267 /nfs/dbraw/zinc/23/92/67/368239267.db2.gz YQYZPIIAZXSVGO-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN O=[N+]([O-])c1cn(Cc2cccc(Cl)c2)cn1 ZINC000029209692 368242579 /nfs/dbraw/zinc/24/25/79/368242579.db2.gz QTGJXQSHPSOTIA-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN CC[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000034017485 368263270 /nfs/dbraw/zinc/26/32/70/368263270.db2.gz YKWAXXNNKZSHDA-VIFPVBQESA-N 0 0 236.271 2.371 20 5 BEBDRN Cc1nc(N2CCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000221965961 368363378 /nfs/dbraw/zinc/36/33/78/368363378.db2.gz VSNMPUYGGJFOLE-UHFFFAOYSA-N 0 0 243.213 2.144 20 5 BEBDRN CC[C@H](C)[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000057073922 368481939 /nfs/dbraw/zinc/48/19/39/368481939.db2.gz YEWIODLEVCOWRW-YUMQZZPRSA-N 0 0 239.275 2.087 20 5 BEBDRN CCOCCOc1cccc([N+](=O)[O-])c1C ZINC000060810159 368553773 /nfs/dbraw/zinc/55/37/73/368553773.db2.gz CMVHDSOLXQUHED-UHFFFAOYSA-N 0 0 225.244 2.319 20 5 BEBDRN C[C@@H]1C[C@H]1Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000081589859 370901483 /nfs/dbraw/zinc/90/14/83/370901483.db2.gz MINMPMAVEUOACK-RDDDGLTNSA-N 0 0 244.254 2.358 20 5 BEBDRN CC(C)CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000074455210 368844116 /nfs/dbraw/zinc/84/41/16/368844116.db2.gz YAVRZTHGGCGDTH-UHFFFAOYSA-N 0 0 239.275 2.089 20 5 BEBDRN CO[C@H](CNc1ccncc1[N+](=O)[O-])C(C)C ZINC000075062799 370073574 /nfs/dbraw/zinc/07/35/74/370073574.db2.gz FMDMACHMAKIQSQ-LLVKDONJSA-N 0 0 239.275 2.073 20 5 BEBDRN C[C@@H]1SCC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000309839841 370267326 /nfs/dbraw/zinc/26/73/26/370267326.db2.gz ODGUPMROQHQCJS-CBAPKCEASA-N 0 0 239.300 2.296 20 5 BEBDRN CC[C@@H](C)[C@H](O)CNc1ccc([N+](=O)[O-])s1 ZINC000309996838 370287203 /nfs/dbraw/zinc/28/72/03/370287203.db2.gz CIXICNHOWAJGIB-HTQZYQBOSA-N 0 0 244.316 2.475 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCCCC1 ZINC000310387478 370342998 /nfs/dbraw/zinc/34/29/98/370342998.db2.gz CUGQDLPGJDFHOB-UHFFFAOYSA-N 0 0 238.291 2.110 20 5 BEBDRN Cc1noc(-c2c[nH]c3ccc([N+](=O)[O-])cc23)n1 ZINC000349771580 370432914 /nfs/dbraw/zinc/43/29/14/370432914.db2.gz WOKYSARDJLYSPO-UHFFFAOYSA-N 0 0 244.210 2.435 20 5 BEBDRN Cc1noc(/C=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000349782401 370451371 /nfs/dbraw/zinc/45/13/71/370451371.db2.gz OBKCMAMSKJLWFT-QPJJXVBHSA-N 0 0 231.211 2.457 20 5 BEBDRN CN(CCc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000619785163 370593719 /nfs/dbraw/zinc/59/37/19/370593719.db2.gz GKGQGDKJJGIECW-UHFFFAOYSA-N 0 0 244.241 2.334 20 5 BEBDRN COCCCN(C)c1ccsc1[N+](=O)[O-] ZINC000066371990 370573175 /nfs/dbraw/zinc/57/31/75/370573175.db2.gz STOOGDXTKCBCHZ-UHFFFAOYSA-N 0 0 230.289 2.129 20 5 BEBDRN O=[N+]([O-])c1ncccc1N[C@@H]1C[C@H]1C(F)(F)F ZINC000619698235 370583260 /nfs/dbraw/zinc/58/32/60/370583260.db2.gz QQFJHDLOCKQEDR-IYSWYEEDSA-N 0 0 247.176 2.353 20 5 BEBDRN C[C@H]1C[C@H](C)N1c1ncc([N+](=O)[O-])s1 ZINC000619698140 370583676 /nfs/dbraw/zinc/58/36/76/370583676.db2.gz IGNNQKAGIMCCGG-WDSKDSINSA-N 0 0 213.262 2.038 20 5 BEBDRN Nc1c([N+](=O)[O-])cnn1CCCC1CCCC1 ZINC000154294306 371099623 /nfs/dbraw/zinc/09/96/23/371099623.db2.gz BDLYZWBZNXLHCG-UHFFFAOYSA-N 0 0 238.291 2.344 20 5 BEBDRN C[C@@H](CO)COc1ccc([N+](=O)[O-])cc1Cl ZINC000154602420 371132663 /nfs/dbraw/zinc/13/26/63/371132663.db2.gz OWUKYQGOCFOTFC-ZETCQYMHSA-N 0 0 245.662 2.255 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCC(C)(C)CO ZINC000124268326 371179483 /nfs/dbraw/zinc/17/94/83/371179483.db2.gz WBZMRZXIQDTMFV-UHFFFAOYSA-N 0 0 238.287 2.334 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCC1CCC1 ZINC000156941548 371510166 /nfs/dbraw/zinc/51/01/66/371510166.db2.gz WFDYCDKONAPEEJ-UHFFFAOYSA-N 0 0 207.233 2.202 20 5 BEBDRN O=[N+]([O-])c1c[nH]c(-c2nc([C@H]3CC34CC4)no2)c1 ZINC000351273493 371620100 /nfs/dbraw/zinc/62/01/00/371620100.db2.gz DCAIMSIXJJPPAW-SSDOTTSWSA-N 0 0 246.226 2.240 20 5 BEBDRN C[C@H]1C[C@H]1Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351141552 371610479 /nfs/dbraw/zinc/61/04/79/371610479.db2.gz CTBFDUPYNAFYOW-BQBZGAKWSA-N 0 0 249.226 2.436 20 5 BEBDRN CC1(c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)CC1 ZINC000351176517 371611333 /nfs/dbraw/zinc/61/13/33/371611333.db2.gz QINTYAYYLFPMQS-UHFFFAOYSA-N 0 0 234.215 2.024 20 5 BEBDRN C/C=C\CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000600492366 371675313 /nfs/dbraw/zinc/67/53/13/371675313.db2.gz MORLTBXLMHBTPH-ARJAWSKDSA-N 0 0 234.255 2.209 20 5 BEBDRN C[C@H]1C[C@H]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000600517766 371678401 /nfs/dbraw/zinc/67/84/01/371678401.db2.gz YJBPETGTDIAAJG-YUMQZZPRSA-N 0 0 248.238 2.159 20 5 BEBDRN Cc1nn(C[C@H]2C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000600510917 371678479 /nfs/dbraw/zinc/67/84/79/371678479.db2.gz XXCSNVDWDNCZCB-HZGVNTEJSA-N 0 0 209.249 2.064 20 5 BEBDRN C[C@H]1C[C@@H]1Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000600517763 371678540 /nfs/dbraw/zinc/67/85/40/371678540.db2.gz YJBPETGTDIAAJG-JGVFFNPUSA-N 0 0 248.238 2.159 20 5 BEBDRN Cc1nc(COc2cccnc2[N+](=O)[O-])c(C)o1 ZINC000600512426 371678564 /nfs/dbraw/zinc/67/85/64/371678564.db2.gz YRDCCCQKQDAMLK-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN Cc1cc(SCCCO)c([N+](=O)[O-])s1 ZINC000601216669 371738732 /nfs/dbraw/zinc/73/87/32/371738732.db2.gz HOMKBBYVNSWQGD-UHFFFAOYSA-N 0 0 233.314 2.439 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2cnn3c2CCCC3)cn1 ZINC000600845310 371706818 /nfs/dbraw/zinc/70/68/18/371706818.db2.gz NCYPALWQWCRSBM-UHFFFAOYSA-N 0 0 244.254 2.190 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@]12C[C@H]1CCCC2 ZINC000601227514 371739604 /nfs/dbraw/zinc/73/96/04/371739604.db2.gz TVFHMURTYFTUPF-LDYMZIIASA-N 0 0 236.275 2.073 20 5 BEBDRN C[C@H]1CN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000601124739 371728759 /nfs/dbraw/zinc/72/87/59/371728759.db2.gz JBHMPUSIEZIVNT-YUMQZZPRSA-N 0 0 239.250 2.221 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N1CCCCCO1 ZINC000601152278 371729925 /nfs/dbraw/zinc/72/99/25/371729925.db2.gz MMTTVZRGRRKGDI-UHFFFAOYSA-N 0 0 241.222 2.051 20 5 BEBDRN C[C@@H](F)CCNc1ncc(F)cc1[N+](=O)[O-] ZINC000601168733 371732449 /nfs/dbraw/zinc/73/24/49/371732449.db2.gz AUMVCVJUKLEYET-ZCFIWIBFSA-N 0 0 231.202 2.289 20 5 BEBDRN CC(C)(F)CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000601205571 371736670 /nfs/dbraw/zinc/73/66/70/371736670.db2.gz BBJKLTRHBQZUJN-UHFFFAOYSA-N 0 0 245.229 2.476 20 5 BEBDRN CC12CC(C1)CN2c1ncc(F)cc1[N+](=O)[O-] ZINC000601199359 371736970 /nfs/dbraw/zinc/73/69/70/371736970.db2.gz PLKJPWGGFIADER-UHFFFAOYSA-N 0 0 237.234 2.118 20 5 BEBDRN C[C@H]1C[C@H]1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000600530176 371682127 /nfs/dbraw/zinc/68/21/27/371682127.db2.gz OIHOSLJRMGXVDI-BQBZGAKWSA-N 0 0 242.662 2.066 20 5 BEBDRN Cc1nn([C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000600542861 371683654 /nfs/dbraw/zinc/68/36/54/371683654.db2.gz FPWLGVHCFBUIEE-VIFPVBQESA-N 0 0 239.275 2.087 20 5 BEBDRN Cc1cc(N2OC3CCC2CC3)ncc1[N+](=O)[O-] ZINC000601272833 371744631 /nfs/dbraw/zinc/74/46/31/371744631.db2.gz MUSBEWMXVDKTKV-UHFFFAOYSA-N 0 0 249.270 2.361 20 5 BEBDRN Cc1cn(C2CC(C)(C)C2)nc1[N+](=O)[O-] ZINC000601925371 371775853 /nfs/dbraw/zinc/77/58/53/371775853.db2.gz DNMNPZOSRIFJSI-UHFFFAOYSA-N 0 0 209.249 2.461 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1N1N=CC[C@H](C)C1=O ZINC000601935406 371776795 /nfs/dbraw/zinc/77/67/95/371776795.db2.gz JPOBMAVWQALAGH-VIFPVBQESA-N 0 0 247.254 2.262 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C3CCC2CC3)nc1 ZINC000602094878 371785869 /nfs/dbraw/zinc/78/58/69/371785869.db2.gz ICWNGEGXADZVRR-UHFFFAOYSA-N 0 0 219.244 2.121 20 5 BEBDRN C/C=C\CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602725661 371834957 /nfs/dbraw/zinc/83/49/57/371834957.db2.gz SKMCDEUIRLLIHL-IHWYPQMZSA-N 0 0 247.254 2.402 20 5 BEBDRN CC(=O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602782603 371840935 /nfs/dbraw/zinc/84/09/35/371840935.db2.gz IGOYHXIYJLLIEN-UHFFFAOYSA-N 0 0 248.282 2.148 20 5 BEBDRN CN(Cc1ccncc1)c1cccnc1[N+](=O)[O-] ZINC000603846008 371934552 /nfs/dbraw/zinc/93/45/52/371934552.db2.gz WBYWWTJAWUPRGD-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN Cc1ccc(OCc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000603420101 371892796 /nfs/dbraw/zinc/89/27/96/371892796.db2.gz HYTLNIQAYYXOIW-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN O=[N+]([O-])c1sccc1NCC1CSC1 ZINC000603414193 371892935 /nfs/dbraw/zinc/89/29/35/371892935.db2.gz QQSRXBBQSFDCBA-UHFFFAOYSA-N 0 0 230.314 2.431 20 5 BEBDRN CN(Cc1ccoc1)c1cccnc1[N+](=O)[O-] ZINC000604270584 371965883 /nfs/dbraw/zinc/96/58/83/371965883.db2.gz OTVMBCWYQXJNDL-UHFFFAOYSA-N 0 0 233.227 2.219 20 5 BEBDRN Cc1cc(C(=O)N2CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000604452221 371979897 /nfs/dbraw/zinc/97/98/97/371979897.db2.gz OXOXSGVGHVMTHI-VIFPVBQESA-N 0 0 234.255 2.138 20 5 BEBDRN C[C@@H](O)CCSc1ccc([N+](=O)[O-])cc1 ZINC000134067357 372154523 /nfs/dbraw/zinc/15/45/23/372154523.db2.gz WIAYYDVLLNONSO-MRVPVSSYSA-N 0 0 227.285 2.458 20 5 BEBDRN COc1ccc(Oc2ccc([N+](=O)[O-])nc2)cn1 ZINC001642982319 1172422782 /nfs/dbraw/zinc/42/27/82/1172422782.db2.gz ZPIUOMOBZVZARM-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN O=C(NCC1=CCCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000296257706 182134667 /nfs/dbraw/zinc/13/46/67/182134667.db2.gz XYIUVDXIGGOTNR-UHFFFAOYSA-N 0 0 249.270 2.153 20 5 BEBDRN O=C(NCCCCF)c1csc([N+](=O)[O-])c1 ZINC000360518430 182164107 /nfs/dbraw/zinc/16/41/07/182164107.db2.gz TUIHEMWONQLENN-UHFFFAOYSA-N 0 0 246.263 2.136 20 5 BEBDRN O=C(NC[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299300508 182223660 /nfs/dbraw/zinc/22/36/60/182223660.db2.gz YKWSQLLEGKVZOW-SECBINFHSA-N 0 0 249.270 2.009 20 5 BEBDRN CO[C@@H](COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000424090293 206029829 /nfs/dbraw/zinc/02/98/29/206029829.db2.gz XIXKCSMTLQAUFD-LBPRGKRZSA-N 0 0 237.255 2.399 20 5 BEBDRN CCCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000037286095 168861765 /nfs/dbraw/zinc/86/17/65/168861765.db2.gz UGAPUEPIOPVFEF-UHFFFAOYSA-N 0 0 240.234 2.264 20 5 BEBDRN O=[N+]([O-])c1cn(CCc2ccccc2F)cn1 ZINC000432716439 206064133 /nfs/dbraw/zinc/06/41/33/206064133.db2.gz DPUJIUJZCKGCPO-UHFFFAOYSA-N 0 0 235.218 2.173 20 5 BEBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCC12CCC2 ZINC000336566405 182680219 /nfs/dbraw/zinc/68/02/19/182680219.db2.gz RNGZSQOISJVHCK-UHFFFAOYSA-N 0 0 246.266 2.363 20 5 BEBDRN CCCCOCCNc1ncccc1[N+](=O)[O-] ZINC000040507550 168903521 /nfs/dbraw/zinc/90/35/21/168903521.db2.gz PHSPBNKPOOUQPO-UHFFFAOYSA-N 0 0 239.275 2.218 20 5 BEBDRN O=[N+]([O-])CCOc1ccc(Br)cc1 ZINC000059268689 182919930 /nfs/dbraw/zinc/91/99/30/182919930.db2.gz SALZVZPKLDWAQA-UHFFFAOYSA-N 0 0 246.060 2.105 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCCOC2)cc1 ZINC000038046379 182936419 /nfs/dbraw/zinc/93/64/19/182936419.db2.gz OBADPHDEFDDANH-SNVBAGLBSA-N 0 0 236.271 2.433 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CCCO1 ZINC000128539306 182945473 /nfs/dbraw/zinc/94/54/73/182945473.db2.gz BPNREAKFYPRCIB-QMMMGPOBSA-N 0 0 240.234 2.325 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1N[C@H]1C[C@@H](O)C1 ZINC000295271633 182945825 /nfs/dbraw/zinc/94/58/25/182945825.db2.gz HTKFXJJXVMLCAW-KNVOCYPGSA-N 0 0 242.662 2.183 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@@H](CCO)C1CC1 ZINC000301342232 182950681 /nfs/dbraw/zinc/95/06/81/182950681.db2.gz ILPCVTCTOMOVID-JTQLQIEISA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCc1nccs1 ZINC000040437338 182953341 /nfs/dbraw/zinc/95/33/41/182953341.db2.gz SQICCZNJSVHGGM-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN O=[N+]([O-])c1cnn(CC23CCC(CC2)C3)c1 ZINC000294321999 182960807 /nfs/dbraw/zinc/96/08/07/182960807.db2.gz WWPBYSCXXSXAII-UHFFFAOYSA-N 0 0 221.260 2.372 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@@H]2CC=CCC2)nc1 ZINC000273637853 182957140 /nfs/dbraw/zinc/95/71/40/182957140.db2.gz RMUYQFJLZZDELM-SECBINFHSA-N 0 0 234.259 2.153 20 5 BEBDRN O=c1ccn(CC23CCC(CC2)C3)cc1[N+](=O)[O-] ZINC000294139561 183003947 /nfs/dbraw/zinc/00/39/47/183003947.db2.gz GDBMFHCILQLOPE-UHFFFAOYSA-N 0 0 248.282 2.337 20 5 BEBDRN CCCN(C)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000266312972 169087832 /nfs/dbraw/zinc/08/78/32/169087832.db2.gz DPCKQLZBPBTMOP-UHFFFAOYSA-N 0 0 224.260 2.450 20 5 BEBDRN CCCN(C)c1cc(N)ccc1[N+](=O)[O-] ZINC000193398488 169088109 /nfs/dbraw/zinc/08/81/09/169088109.db2.gz DDYCLCCFECOCHG-UHFFFAOYSA-N 0 0 209.249 2.023 20 5 BEBDRN CCCN(CCO)c1ccc([N+](=O)[O-])c(C)c1 ZINC000042453469 169168748 /nfs/dbraw/zinc/16/87/48/169168748.db2.gz BTFJUQNQPHJLKG-UHFFFAOYSA-N 0 0 238.287 2.112 20 5 BEBDRN CCCOc1ccc(OC)c([N+](=O)[O-])c1 ZINC000190182845 169320698 /nfs/dbraw/zinc/32/06/98/169320698.db2.gz GLEKFVJGHOKGQN-UHFFFAOYSA-N 0 0 211.217 2.392 20 5 BEBDRN CCCOc1ccc([N+](=O)[O-])c(OC)c1 ZINC000116878693 169322601 /nfs/dbraw/zinc/32/26/01/169322601.db2.gz BLQXFBXSLRWMQV-UHFFFAOYSA-N 0 0 211.217 2.392 20 5 BEBDRN CCCS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000072266431 169333944 /nfs/dbraw/zinc/33/39/44/169333944.db2.gz IAEKJJRSLHZVQE-UHFFFAOYSA-N 0 0 243.284 2.087 20 5 BEBDRN CCC[C@@H](CNc1ncc([N+](=O)[O-])s1)OC ZINC000293617639 169385421 /nfs/dbraw/zinc/38/54/21/169385421.db2.gz IAYFESRBSUXOIL-ZETCQYMHSA-N 0 0 245.304 2.278 20 5 BEBDRN CCC[C@](C)(O)CNc1ncc([N+](=O)[O-])s1 ZINC000230687722 169554920 /nfs/dbraw/zinc/55/49/20/169554920.db2.gz GNEWKEQZTXNAON-VIFPVBQESA-N 0 0 245.304 2.014 20 5 BEBDRN C[C@@H]1C[C@@H](C)N1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000560208992 383876433 /nfs/dbraw/zinc/87/64/33/383876433.db2.gz WNHCJLSFMWNLFS-HTQZYQBOSA-N 0 0 246.270 2.458 20 5 BEBDRN C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])[C@H](C)CO ZINC000287312402 383928743 /nfs/dbraw/zinc/92/87/43/383928743.db2.gz NHKAKJZIWDFXRN-HTQZYQBOSA-N 0 0 242.250 2.163 20 5 BEBDRN CC(=O)CCCCn1nc(C)c([N+](=O)[O-])c1C ZINC000050129585 383928792 /nfs/dbraw/zinc/92/87/92/383928792.db2.gz YATOTIPDKRXHQT-UHFFFAOYSA-N 0 0 239.275 2.167 20 5 BEBDRN CC[C@H](Nc1ccc(C)cc1[N+](=O)[O-])[C@H](C)O ZINC000395350216 383905999 /nfs/dbraw/zinc/90/59/99/383905999.db2.gz HBUMDKLFCCTKFZ-UWVGGRQHSA-N 0 0 238.287 2.475 20 5 BEBDRN CSCCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000287323641 383936256 /nfs/dbraw/zinc/93/62/56/383936256.db2.gz NWVZAKBRAUPMAX-UHFFFAOYSA-N 0 0 241.316 2.342 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CC2)C1 ZINC000334859001 383970035 /nfs/dbraw/zinc/97/00/35/383970035.db2.gz HOQWUWXMZYDTQD-UHFFFAOYSA-N 0 0 246.266 2.139 20 5 BEBDRN CC[C@@H](CCO)Nc1c(F)cccc1[N+](=O)[O-] ZINC000310168013 383973893 /nfs/dbraw/zinc/97/38/93/383973893.db2.gz ODDOACQQJCPZPD-QMMMGPOBSA-N 0 0 242.250 2.307 20 5 BEBDRN C[C@H](CO)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000050351917 384006224 /nfs/dbraw/zinc/00/62/24/384006224.db2.gz CNZVKNYEQQDIHC-ZCFIWIBFSA-N 0 0 230.651 2.041 20 5 BEBDRN CC[C@@H](CO)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000050351904 384006615 /nfs/dbraw/zinc/00/66/15/384006615.db2.gz KNFFZKKPWQOISU-ZETCQYMHSA-N 0 0 244.678 2.431 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1NCCCO ZINC000050351883 384008101 /nfs/dbraw/zinc/00/81/01/384008101.db2.gz OYFHYJXODLSMCD-UHFFFAOYSA-N 0 0 230.651 2.043 20 5 BEBDRN CN(C(=O)[C@@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000334999758 384008742 /nfs/dbraw/zinc/00/87/42/384008742.db2.gz LZECJOVREHUHJF-NSHDSACASA-N 0 0 246.266 2.358 20 5 BEBDRN CC(C)=CCn1ccc(C)c([N+](=O)[O-])c1=O ZINC000335016323 384011879 /nfs/dbraw/zinc/01/18/79/384011879.db2.gz FSFVXJORJPXJKT-UHFFFAOYSA-N 0 0 222.244 2.031 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1C ZINC000335042879 384014265 /nfs/dbraw/zinc/01/42/65/384014265.db2.gz IMBCLOAFOSOXGT-LDYMZIIASA-N 0 0 248.282 2.350 20 5 BEBDRN Cc1ncn(Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000158614806 384052586 /nfs/dbraw/zinc/05/25/86/384052586.db2.gz AJITWNAMNKEKFA-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CCc1cnc(CNc2ccncc2[N+](=O)[O-])o1 ZINC000234268048 384032650 /nfs/dbraw/zinc/03/26/50/384032650.db2.gz HSWVZISNHOBKCP-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CO[C@@H](C)[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000289424648 384101748 /nfs/dbraw/zinc/10/17/48/384101748.db2.gz BYDQLAPBHRYCCE-SFYZADRCSA-N 0 0 244.316 2.169 20 5 BEBDRN CC[C@@H](C)Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000158712840 384138149 /nfs/dbraw/zinc/13/81/49/384138149.db2.gz KFWJDHKUJZNIAP-SSDOTTSWSA-N 0 0 244.678 2.456 20 5 BEBDRN CSC1(CNc2ccc([N+](=O)[O-])nc2)CC1 ZINC000227992779 134396363 /nfs/dbraw/zinc/39/63/63/134396363.db2.gz AWZGKNMDLLHVCJ-UHFFFAOYSA-N 0 0 239.300 2.297 20 5 BEBDRN CO[C@H](C)CN(C)Cc1csc([N+](=O)[O-])c1 ZINC000285648141 384185051 /nfs/dbraw/zinc/18/50/51/384185051.db2.gz LOSCGNLLGVNMCX-MRVPVSSYSA-N 0 0 244.316 2.123 20 5 BEBDRN C[C@@H](CCO)CNc1cccc(F)c1[N+](=O)[O-] ZINC000097443573 384206707 /nfs/dbraw/zinc/20/67/07/384206707.db2.gz JALZGZMMTHDJSL-QMMMGPOBSA-N 0 0 242.250 2.164 20 5 BEBDRN C[C@H](CCO)CNc1cccc(F)c1[N+](=O)[O-] ZINC000097443574 384207429 /nfs/dbraw/zinc/20/74/29/384207429.db2.gz JALZGZMMTHDJSL-MRVPVSSYSA-N 0 0 242.250 2.164 20 5 BEBDRN C[C@@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000157211704 384277498 /nfs/dbraw/zinc/27/74/98/384277498.db2.gz MFNAQDDFYMFDEG-SFYZADRCSA-N 0 0 238.243 2.106 20 5 BEBDRN C[C@](O)(CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000336704590 384253332 /nfs/dbraw/zinc/25/33/32/384253332.db2.gz KXEDZNFNWFFJEZ-LBPRGKRZSA-N 0 0 236.271 2.168 20 5 BEBDRN CCC[C@H](O)CNc1c(F)cccc1[N+](=O)[O-] ZINC000287451620 384296335 /nfs/dbraw/zinc/29/63/35/384296335.db2.gz RPKRPQBCJYXOMY-QMMMGPOBSA-N 0 0 242.250 2.307 20 5 BEBDRN O=C(Oc1cc(F)cc([N+](=O)[O-])c1)C1CCC1 ZINC000132481240 384336015 /nfs/dbraw/zinc/33/60/15/384336015.db2.gz SWFLRAXUTMCVAY-UHFFFAOYSA-N 0 0 239.202 2.439 20 5 BEBDRN CC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1C ZINC000229994323 384346309 /nfs/dbraw/zinc/34/63/09/384346309.db2.gz PJZBZQVHFNPYJA-SNVBAGLBSA-N 0 0 224.260 2.086 20 5 BEBDRN O=[N+]([O-])c1cnn(CCc2ccccc2F)c1 ZINC000431855046 384371745 /nfs/dbraw/zinc/37/17/45/384371745.db2.gz QTTDJFSPWNXXQE-UHFFFAOYSA-N 0 0 235.218 2.173 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C(C)C ZINC000121484279 384420341 /nfs/dbraw/zinc/42/03/41/384420341.db2.gz XSNBGFQALGAFGC-UHFFFAOYSA-N 0 0 236.271 2.384 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2C[C@@H]2C2CC2)s1 ZINC000308913647 384384413 /nfs/dbraw/zinc/38/44/13/384384413.db2.gz ZZJPZYQFGVSOEV-RQJHMYQMSA-N 0 0 225.273 2.262 20 5 BEBDRN CNc1nc(-c2cc([N+](=O)[O-])c[nH]2)cs1 ZINC000308963385 384387607 /nfs/dbraw/zinc/38/76/07/384387607.db2.gz SUJPIZJIBDXTKN-UHFFFAOYSA-N 0 0 224.245 2.088 20 5 BEBDRN Cc1ccc(Oc2ccncc2[N+](=O)[O-])cn1 ZINC000066810691 384485210 /nfs/dbraw/zinc/48/52/10/384485210.db2.gz CIMPRWOOQQXCEN-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC3(CC3)C2)cc1 ZINC000514652612 384465229 /nfs/dbraw/zinc/46/52/29/384465229.db2.gz GJPNJWTVISZDCS-UHFFFAOYSA-N 0 0 218.256 2.191 20 5 BEBDRN CCCc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000264196671 384473073 /nfs/dbraw/zinc/47/30/73/384473073.db2.gz PNKBWZGQKAWZQG-UHFFFAOYSA-N 0 0 248.242 2.180 20 5 BEBDRN Nc1ccc(NC2CC(F)(F)C2)c([N+](=O)[O-])c1 ZINC000287539615 384499203 /nfs/dbraw/zinc/49/92/03/384499203.db2.gz BNMRESGSBZXSCI-UHFFFAOYSA-N 0 0 243.213 2.387 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCc1ccco1 ZINC000083349614 384500444 /nfs/dbraw/zinc/50/04/44/384500444.db2.gz LSPWRFYSOXHVBC-UHFFFAOYSA-N 0 0 219.200 2.195 20 5 BEBDRN O=[N+]([O-])c1cnc(NCc2ccco2)s1 ZINC000083353755 384500767 /nfs/dbraw/zinc/50/07/67/384500767.db2.gz ABTRBDMVQAASGA-UHFFFAOYSA-N 0 0 225.229 2.256 20 5 BEBDRN CCN(CC)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000070237269 384507356 /nfs/dbraw/zinc/50/73/56/384507356.db2.gz LKWOLKSJDXLGNZ-UHFFFAOYSA-N 0 0 228.273 2.138 20 5 BEBDRN CCC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000340821682 384655079 /nfs/dbraw/zinc/65/50/79/384655079.db2.gz POQALLJSHCFGMT-QMMMGPOBSA-N 0 0 239.275 2.184 20 5 BEBDRN CO[C@H](C)COc1cccc([N+](=O)[O-])c1 ZINC000180897795 384829850 /nfs/dbraw/zinc/82/98/50/384829850.db2.gz HFUMGBAMFDRDBY-MRVPVSSYSA-N 0 0 211.217 2.009 20 5 BEBDRN CC(=O)NO[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000180801092 384792591 /nfs/dbraw/zinc/79/25/91/384792591.db2.gz BONXQFCWIHVUGN-QMMMGPOBSA-N 0 0 238.243 2.032 20 5 BEBDRN C[C@H](NC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000055465046 384882601 /nfs/dbraw/zinc/88/26/01/384882601.db2.gz BSVIEPLUNRKWCF-QMMMGPOBSA-N 0 0 234.255 2.182 20 5 BEBDRN Cc1cnc(CNc2nc(C)ccc2[N+](=O)[O-])o1 ZINC000178243202 384842517 /nfs/dbraw/zinc/84/25/17/384842517.db2.gz HKLCUVSKXYOKFV-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN C[C@@H]1OCC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000147762893 384856977 /nfs/dbraw/zinc/85/69/77/384856977.db2.gz CWCNMNOQYDRTST-OIBJUYFYSA-N 0 0 240.234 2.323 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCOC2)c1 ZINC000084726574 384866148 /nfs/dbraw/zinc/86/61/48/384866148.db2.gz YCEOBDAAMGMJBT-JTQLQIEISA-N 0 0 236.271 2.494 20 5 BEBDRN CO[C@@H](C)CSc1ncccc1[N+](=O)[O-] ZINC000180971967 384868167 /nfs/dbraw/zinc/86/81/67/384868167.db2.gz IWUPDUVZFJXSAK-ZETCQYMHSA-N 0 0 228.273 2.117 20 5 BEBDRN CCC[C@H](CC)Nc1c([N+](=O)[O-])ncn1C ZINC000106488896 384920959 /nfs/dbraw/zinc/92/09/59/384920959.db2.gz PYWOHBOZDSIPHZ-QMMMGPOBSA-N 0 0 226.280 2.319 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCC2CC2)cn1 ZINC000083910773 384928580 /nfs/dbraw/zinc/92/85/80/384928580.db2.gz NJVNCHBXVNDBEW-UHFFFAOYSA-N 0 0 207.233 2.202 20 5 BEBDRN O=[N+]([O-])c1cnccc1NCCC1CC1 ZINC000083911042 384928709 /nfs/dbraw/zinc/92/87/09/384928709.db2.gz XIZQIWNAAWMXRW-UHFFFAOYSA-N 0 0 207.233 2.202 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCCO1 ZINC000057366640 384943465 /nfs/dbraw/zinc/94/34/65/384943465.db2.gz FMOSABDWNHCVGA-VIFPVBQESA-N 0 0 240.234 2.325 20 5 BEBDRN O=[N+]([O-])c1cccnc1SCCCCCO ZINC000102201591 384943756 /nfs/dbraw/zinc/94/37/56/384943756.db2.gz LAWCYQUCSQROEH-UHFFFAOYSA-N 0 0 242.300 2.245 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC1CC(F)(F)C1 ZINC000309539946 385045962 /nfs/dbraw/zinc/04/59/62/385045962.db2.gz YBLJLYDABNFVHU-UHFFFAOYSA-N 0 0 229.186 2.199 20 5 BEBDRN C[C@H]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000157211864 385112476 /nfs/dbraw/zinc/11/24/76/385112476.db2.gz MFNAQDDFYMFDEG-YUMQZZPRSA-N 0 0 238.243 2.106 20 5 BEBDRN CCCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151485534 385115173 /nfs/dbraw/zinc/11/51/73/385115173.db2.gz QZAZHSACAOBORX-UHFFFAOYSA-N 0 0 236.271 2.054 20 5 BEBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)C[C@H]1C ZINC000517519066 385121830 /nfs/dbraw/zinc/12/18/30/385121830.db2.gz QRSQNMYHONHWFW-RKDXNWHRSA-N 0 0 221.260 2.082 20 5 BEBDRN C[C@@H]1C[C@H](C)CN1c1ncc([N+](=O)[O-])s1 ZINC000573055686 385181661 /nfs/dbraw/zinc/18/16/61/385181661.db2.gz HRAIDBQTZPSZRO-NKWVEPMBSA-N 0 0 227.289 2.286 20 5 BEBDRN CO[C@H](C)CCNc1ccc([N+](=O)[O-])cc1 ZINC000263836379 385150313 /nfs/dbraw/zinc/15/03/13/385150313.db2.gz NXGKFVCTKKEHLN-SECBINFHSA-N 0 0 224.260 2.432 20 5 BEBDRN C[C@@H](O)[C@@H](C)Sc1ccccc1[N+](=O)[O-] ZINC000085486032 385200457 /nfs/dbraw/zinc/20/04/57/385200457.db2.gz IPWXBOGBRAVPKK-HTQZYQBOSA-N 0 0 227.285 2.456 20 5 BEBDRN Cc1cnc(N[C@@H]2C[C@H]2C)c([N+](=O)[O-])c1 ZINC000085426893 385176874 /nfs/dbraw/zinc/17/68/74/385176874.db2.gz SMUJKQYCGPVFTO-HTQZYQBOSA-N 0 0 207.233 2.119 20 5 BEBDRN CC[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000152804941 385212107 /nfs/dbraw/zinc/21/21/07/385212107.db2.gz RIHNQMLWWGVBFJ-VIFPVBQESA-N 0 0 221.260 2.226 20 5 BEBDRN CCN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000110205413 385221936 /nfs/dbraw/zinc/22/19/36/385221936.db2.gz WJSPVAWBFFSZEK-UHFFFAOYSA-N 0 0 242.662 2.340 20 5 BEBDRN CO[C@@H](C)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000287936708 385249551 /nfs/dbraw/zinc/24/95/51/385249551.db2.gz PSILYFITXLZMGC-QMMMGPOBSA-N 0 0 239.275 2.014 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC[C@@H](C)F)n1 ZINC000338752583 385272367 /nfs/dbraw/zinc/27/23/67/385272367.db2.gz SEQGTMIXYSVOCK-SSDOTTSWSA-N 0 0 227.239 2.458 20 5 BEBDRN C[C@H](CO)Sc1c(F)cccc1[N+](=O)[O-] ZINC000288168778 385273147 /nfs/dbraw/zinc/27/31/47/385273147.db2.gz AVWGYZVEHWTDAJ-ZCFIWIBFSA-N 0 0 231.248 2.207 20 5 BEBDRN CC/C=C/CNc1c([N+](=O)[O-])c(C)nn1C ZINC000294865214 385276261 /nfs/dbraw/zinc/27/62/61/385276261.db2.gz AOHGJVQPQRFZNF-AATRIKPKSA-N 0 0 224.264 2.015 20 5 BEBDRN CC(C)(CO)CCNc1ccccc1[N+](=O)[O-] ZINC000294887204 385293516 /nfs/dbraw/zinc/29/35/16/385293516.db2.gz FUQAVOWJYYFPFN-UHFFFAOYSA-N 0 0 238.287 2.415 20 5 BEBDRN Cc1ccc(OC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000178991152 385294504 /nfs/dbraw/zinc/29/45/04/385294504.db2.gz YVMOJKFEJNJJQK-NSHDSACASA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1nnc(NCc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000181492043 385364755 /nfs/dbraw/zinc/36/47/55/385364755.db2.gz NNVUPXBQDWZZBS-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000178443582 385374697 /nfs/dbraw/zinc/37/46/97/385374697.db2.gz RMZPFLLMTUEQBH-VIFPVBQESA-N 0 0 248.282 2.257 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NCCC1(F)CCC1 ZINC000340913402 385448378 /nfs/dbraw/zinc/44/83/78/385448378.db2.gz MKJLQDHLCQEFLZ-UHFFFAOYSA-N 0 0 242.254 2.023 20 5 BEBDRN Cc1cnc(NCC2=CCOCC2)c([N+](=O)[O-])c1 ZINC000397742879 385707918 /nfs/dbraw/zinc/70/79/18/385707918.db2.gz LQGIWJNPIMSPAL-UHFFFAOYSA-N 0 0 249.270 2.057 20 5 BEBDRN C[C@@H](NCc1ccon1)c1cccc([N+](=O)[O-])c1 ZINC000129038665 385708043 /nfs/dbraw/zinc/70/80/43/385708043.db2.gz UMSUGHGPIVIEDS-SECBINFHSA-N 0 0 247.254 2.434 20 5 BEBDRN COC[C@@H]1CCN1c1cc(C)ccc1[N+](=O)[O-] ZINC000292680754 385710316 /nfs/dbraw/zinc/71/03/16/385710316.db2.gz BEYSCRDQDFIMFK-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CCCSC2)nc1 ZINC000129214889 385740607 /nfs/dbraw/zinc/74/06/07/385740607.db2.gz BXLIZCIQZQMLQP-QMMMGPOBSA-N 0 0 239.300 2.297 20 5 BEBDRN CCOCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000264984620 385780701 /nfs/dbraw/zinc/78/07/01/385780701.db2.gz HVQDBKIHJFZIFR-UHFFFAOYSA-N 0 0 249.226 2.181 20 5 BEBDRN CC(C)(C)CCOCn1cc([N+](=O)[O-])cn1 ZINC000292766441 385724333 /nfs/dbraw/zinc/72/43/33/385724333.db2.gz XAJKJRCGPWAOOO-UHFFFAOYSA-N 0 0 227.264 2.202 20 5 BEBDRN COCCC(C)(C)Nc1ccc([N+](=O)[O-])nc1 ZINC000398373128 385829156 /nfs/dbraw/zinc/82/91/56/385829156.db2.gz DMEFLYUVVQEXPV-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN CC(C)(O)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051608848 385858227 /nfs/dbraw/zinc/85/82/27/385858227.db2.gz NIQAMDZTYQBBEG-UHFFFAOYSA-N 0 0 245.662 2.398 20 5 BEBDRN O=[N+]([O-])c1ccccc1OCCC1(O)CCC1 ZINC000396789432 385841227 /nfs/dbraw/zinc/84/12/27/385841227.db2.gz HOYQZDNDPNQHHY-UHFFFAOYSA-N 0 0 237.255 2.279 20 5 BEBDRN Cc1ccc(NCc2nccn2C)c([N+](=O)[O-])c1 ZINC000051922482 385841897 /nfs/dbraw/zinc/84/18/97/385841897.db2.gz GSYQBKNJYPSZBC-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@H]2CCSC2)s1 ZINC000228582022 385890984 /nfs/dbraw/zinc/89/09/84/385890984.db2.gz ZTFCDKGLFJVIPH-ZCFIWIBFSA-N 0 0 245.329 2.216 20 5 BEBDRN CO[C@@H](C)COc1cc(F)ccc1[N+](=O)[O-] ZINC000164016997 385898272 /nfs/dbraw/zinc/89/82/72/385898272.db2.gz HXFPRYMWUGSJSD-ZETCQYMHSA-N 0 0 229.207 2.148 20 5 BEBDRN CC(C)[C@]1(C)C[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000397182938 385926905 /nfs/dbraw/zinc/92/69/05/385926905.db2.gz JZMRSLQILUFIPX-KCJUWKMLSA-N 0 0 238.291 2.175 20 5 BEBDRN Cc1nc(C)c(CNc2ccc([N+](=O)[O-])cn2)o1 ZINC000311881961 385881849 /nfs/dbraw/zinc/88/18/49/385881849.db2.gz WRQYNUMJJSNDBT-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CCC1(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000296146367 386141787 /nfs/dbraw/zinc/14/17/87/386141787.db2.gz KGSAHOPHQAJLTE-UHFFFAOYSA-N 0 0 248.282 2.196 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[C@@H]2C)c1 ZINC000294037217 386321992 /nfs/dbraw/zinc/32/19/92/386321992.db2.gz JZAOZNDZTWTUHG-UWVGGRQHSA-N 0 0 248.282 2.384 20 5 BEBDRN CCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298592276 386363130 /nfs/dbraw/zinc/36/31/30/386363130.db2.gz CBOTZLOVFBEROD-UHFFFAOYSA-N 0 0 248.238 2.433 20 5 BEBDRN COc1cc(N(C)CC2CC2)ccc1[N+](=O)[O-] ZINC000266102098 386440614 /nfs/dbraw/zinc/44/06/14/386440614.db2.gz HXUBDARFGASRSL-UHFFFAOYSA-N 0 0 236.271 2.450 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(N2CC[C@@H](C)C2)c1 ZINC000266363542 386492838 /nfs/dbraw/zinc/49/28/38/386492838.db2.gz KWZCOVXJSFEBFF-SECBINFHSA-N 0 0 236.271 2.450 20 5 BEBDRN Cc1cc(C(=O)N2C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000294203910 386465983 /nfs/dbraw/zinc/46/59/83/386465983.db2.gz QRQUSIRLIVMUPL-ZJUUUORDSA-N 0 0 248.282 2.384 20 5 BEBDRN C[C@H]1CCC[C@@H](Cn2cnc([N+](=O)[O-])n2)C1 ZINC000185524058 386579072 /nfs/dbraw/zinc/57/90/72/386579072.db2.gz HMDBODMAIQIIBW-DTWKUNHWSA-N 0 0 224.264 2.013 20 5 BEBDRN Cc1cnc(NCc2ccc([N+](=O)[O-])cc2)nc1 ZINC000063048635 386541886 /nfs/dbraw/zinc/54/18/86/386541886.db2.gz BNSKILDZYQRAFV-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CCC1(C)CN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000292291916 386647534 /nfs/dbraw/zinc/64/75/34/386647534.db2.gz KNKUXMWAKVJNMX-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN CCCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229561135 386611019 /nfs/dbraw/zinc/61/10/19/386611019.db2.gz AHNCYGQQSVBHSJ-UHFFFAOYSA-N 0 0 226.207 2.473 20 5 BEBDRN Cc1nc(N(C)C(C)C)ccc1[N+](=O)[O-] ZINC000268523441 386659702 /nfs/dbraw/zinc/65/97/02/386659702.db2.gz VLTLTFDEMVPAPF-UHFFFAOYSA-N 0 0 209.249 2.143 20 5 BEBDRN CC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000268012043 386759489 /nfs/dbraw/zinc/75/94/89/386759489.db2.gz CQHALXUDPIEXOG-QMMMGPOBSA-N 0 0 238.243 2.060 20 5 BEBDRN C[C@H](Nc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC000053297348 386871945 /nfs/dbraw/zinc/87/19/45/386871945.db2.gz ZEWIWVSLEIMUFN-ZETCQYMHSA-N 0 0 207.233 2.200 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1OCc1ccon1 ZINC000185021532 386895149 /nfs/dbraw/zinc/89/51/49/386895149.db2.gz WURPLMKSNFEYNJ-UHFFFAOYSA-N 0 0 238.174 2.301 20 5 BEBDRN CO[C@H](C)COc1c(F)cccc1[N+](=O)[O-] ZINC000185028325 386927780 /nfs/dbraw/zinc/92/77/80/386927780.db2.gz VEOCWMKEKVRMCI-SSDOTTSWSA-N 0 0 229.207 2.148 20 5 BEBDRN Cc1ccc(NCc2ccn(C)n2)c([N+](=O)[O-])c1 ZINC000212236304 387043918 /nfs/dbraw/zinc/04/39/18/387043918.db2.gz XJTUGLVEGJQQIB-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN O=[N+]([O-])c1cccc(CN2CC[C@@H](F)C2)c1 ZINC000336222928 387063893 /nfs/dbraw/zinc/06/38/93/387063893.db2.gz WHYIWPZCUYIBHL-SNVBAGLBSA-N 0 0 224.235 2.139 20 5 BEBDRN CSC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000074764557 387025570 /nfs/dbraw/zinc/02/55/70/387025570.db2.gz FMHAWLSNRNHIAZ-MRVPVSSYSA-N 0 0 241.316 2.462 20 5 BEBDRN C[C@H](CCCO)Nc1cccc(F)c1[N+](=O)[O-] ZINC000088503725 387293167 /nfs/dbraw/zinc/29/31/67/387293167.db2.gz WYDKDIRUFNVQMB-MRVPVSSYSA-N 0 0 242.250 2.307 20 5 BEBDRN CC/C=C/CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000297087637 387308257 /nfs/dbraw/zinc/30/82/57/387308257.db2.gz XXVGJCJKHDEUHO-ONEGZZNKSA-N 0 0 248.282 2.220 20 5 BEBDRN CC[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000192483730 387376638 /nfs/dbraw/zinc/37/66/38/387376638.db2.gz BGTIUACTFUGQRO-ZETCQYMHSA-N 0 0 227.289 2.288 20 5 BEBDRN CC[C@](C)(CNc1ccc([N+](=O)[O-])nc1)OC ZINC000322646664 259713272 /nfs/dbraw/zinc/71/32/72/259713272.db2.gz VTHHHFGMRSYUGE-LLVKDONJSA-N 0 0 239.275 2.217 20 5 BEBDRN Cc1cnc(N2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000266248443 387427802 /nfs/dbraw/zinc/42/78/02/387427802.db2.gz ZQLAPHAAQGTBDE-MRVPVSSYSA-N 0 0 221.260 2.144 20 5 BEBDRN CO[C@@H](C)CCNc1nc(C)ccc1[N+](=O)[O-] ZINC000268780644 387390582 /nfs/dbraw/zinc/39/05/82/387390582.db2.gz CEVNPBJIDDFYOP-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]3C2)c1 ZINC000192799508 387508420 /nfs/dbraw/zinc/50/84/20/387508420.db2.gz PGOWPUABCMHKSH-UWVGGRQHSA-N 0 0 247.298 2.413 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1CC(CC(F)F)C1 ZINC000425281313 387522329 /nfs/dbraw/zinc/52/23/29/387522329.db2.gz IXMWOHDAMLSYEX-UHFFFAOYSA-N 0 0 243.213 2.081 20 5 BEBDRN CCN(CC(F)F)c1ncc([N+](=O)[O-])s1 ZINC000192529255 387538138 /nfs/dbraw/zinc/53/81/38/387538138.db2.gz CDBMOPBAAPPYFI-UHFFFAOYSA-N 0 0 237.231 2.143 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CC[C@@H](CO)C2)cc1 ZINC000295889792 387480521 /nfs/dbraw/zinc/48/05/21/387480521.db2.gz BLUJOMOWKKDBPD-KOLCDFICSA-N 0 0 236.271 2.168 20 5 BEBDRN C[C@@H](CCCCO)Nc1ncc([N+](=O)[O-])s1 ZINC000295894534 387480696 /nfs/dbraw/zinc/48/06/96/387480696.db2.gz BXMJVEPQPVBHMI-ZETCQYMHSA-N 0 0 245.304 2.014 20 5 BEBDRN CSCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000123888486 387597878 /nfs/dbraw/zinc/59/78/78/387597878.db2.gz MOQBPXLNIJFZNW-UHFFFAOYSA-N 0 0 240.284 2.205 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@H]1CC[C@@H](CO)C1 ZINC000296232891 387639121 /nfs/dbraw/zinc/63/91/21/387639121.db2.gz HQGBRPWRFLRULD-ZJUUUORDSA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NC1(CCO)CC1 ZINC000431474898 387711442 /nfs/dbraw/zinc/71/14/42/387711442.db2.gz FGHJZDMSBQBELC-UHFFFAOYSA-N 0 0 240.234 2.061 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NCC1CCCCC1 ZINC000026719268 387853950 /nfs/dbraw/zinc/85/39/50/387853950.db2.gz UYOYHEHZPOILRT-UHFFFAOYSA-N 0 0 238.291 2.321 20 5 BEBDRN CCCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000192888605 387863852 /nfs/dbraw/zinc/86/38/52/387863852.db2.gz ONRWRBOOKUPABB-UHFFFAOYSA-N 0 0 236.271 2.433 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@@H](F)C1 ZINC000238528683 387870365 /nfs/dbraw/zinc/87/03/65/387870365.db2.gz HUWKYORCUVXUSA-MRVPVSSYSA-N 0 0 210.208 2.143 20 5 BEBDRN CCN(CC(C)C)c1ncc([N+](=O)[O-])c(C)n1 ZINC000296590373 388018157 /nfs/dbraw/zinc/01/81/57/388018157.db2.gz RWQQTFHMRCHXNW-UHFFFAOYSA-N 0 0 238.291 2.176 20 5 BEBDRN Cc1cc(C(=O)NC(C)C)cc([N+](=O)[O-])c1 ZINC000121808427 177774678 /nfs/dbraw/zinc/77/46/78/177774678.db2.gz AXFAZNPUHVUROH-UHFFFAOYSA-N 0 0 222.244 2.041 20 5 BEBDRN CC(C)C1CN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591151158 388132588 /nfs/dbraw/zinc/13/25/88/388132588.db2.gz BHZNJPZBNVHJCN-UHFFFAOYSA-N 0 0 239.250 2.221 20 5 BEBDRN C[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000139015283 388259557 /nfs/dbraw/zinc/25/95/57/388259557.db2.gz IKNLEZHHCFCPPQ-VIFPVBQESA-N 0 0 246.270 2.169 20 5 BEBDRN Cc1ccc(OCCn2cccn2)cc1[N+](=O)[O-] ZINC000131624826 388348730 /nfs/dbraw/zinc/34/87/30/388348730.db2.gz QDHTWWXASCVCLS-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)c2nc[nH]n2)c1 ZINC000226500970 388351112 /nfs/dbraw/zinc/35/11/12/388351112.db2.gz LVCJIIAQWNTLPP-QMMMGPOBSA-N 0 0 247.258 2.194 20 5 BEBDRN O=[N+]([O-])c1ccc(Oc2cccc[n+]2[O-])cc1 ZINC000301062155 388351143 /nfs/dbraw/zinc/35/11/43/388351143.db2.gz SXGXJONAGAVLBQ-UHFFFAOYSA-N 0 0 232.195 2.021 20 5 BEBDRN C[C@@H]1C[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000226776106 388355558 /nfs/dbraw/zinc/35/55/58/388355558.db2.gz JYXADHGOPQYTKO-RITPCOANSA-N 0 0 213.262 2.119 20 5 BEBDRN CC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000227014395 388357581 /nfs/dbraw/zinc/35/75/81/388357581.db2.gz NORPYRYYLBDJRY-CBAPKCEASA-N 0 0 207.233 2.200 20 5 BEBDRN O=[N+]([O-])c1cc2ccccc2nc1NCC1CC1 ZINC000352356621 388360853 /nfs/dbraw/zinc/36/08/53/388360853.db2.gz MQZBFWMBSQSKGI-UHFFFAOYSA-N 0 0 243.266 2.387 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)CN(CC1CC1)CCO2 ZINC000352621990 388361522 /nfs/dbraw/zinc/36/15/22/388361522.db2.gz VZNCIPJQGZKWMU-UHFFFAOYSA-N 0 0 248.282 2.199 20 5 BEBDRN C[C@@H](Cc1ccccc1[N+](=O)[O-])NCC(F)F ZINC000459551397 388362949 /nfs/dbraw/zinc/36/29/49/388362949.db2.gz VVKJPALFEIELCE-QMMMGPOBSA-N 0 0 244.241 2.381 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCF ZINC000595055369 388376010 /nfs/dbraw/zinc/37/60/10/388376010.db2.gz XLYZPFONPVVHBN-MRVPVSSYSA-N 0 0 242.250 2.224 20 5 BEBDRN C[C@H](O)CCCNc1ccc([N+](=O)[O-])cc1F ZINC000227999854 388376118 /nfs/dbraw/zinc/37/61/18/388376118.db2.gz HIPYQDQZENHMDO-QMMMGPOBSA-N 0 0 242.250 2.307 20 5 BEBDRN Cc1ccc(NCCC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000227994385 388376147 /nfs/dbraw/zinc/37/61/47/388376147.db2.gz IETQOQNIJXFZGF-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN C[C@H](O)CCCNc1cccc(F)c1[N+](=O)[O-] ZINC000227998135 388376175 /nfs/dbraw/zinc/37/61/75/388376175.db2.gz HYBBFWAVPWHYTF-QMMMGPOBSA-N 0 0 242.250 2.307 20 5 BEBDRN O=[N+]([O-])c1ccc2[nH]c(NCC3CC3)nc2c1 ZINC000094771633 388391310 /nfs/dbraw/zinc/39/13/10/388391310.db2.gz JQLRZJTUTMWMIZ-UHFFFAOYSA-N 0 0 232.243 2.293 20 5 BEBDRN C/C=C/CSCc1c([N+](=O)[O-])ncn1C ZINC000357038275 388391406 /nfs/dbraw/zinc/39/14/06/388391406.db2.gz NTDYIFFORCKGLU-ONEGZZNKSA-N 0 0 227.289 2.138 20 5 BEBDRN CC[C@@H](CCO)CNc1ccccc1[N+](=O)[O-] ZINC000094957197 388445062 /nfs/dbraw/zinc/44/50/62/388445062.db2.gz DMUZZMHQACLOMZ-JTQLQIEISA-N 0 0 238.287 2.415 20 5 BEBDRN COC[C@@H](C)N(C)c1ccc(C)cc1[N+](=O)[O-] ZINC000175023641 388445550 /nfs/dbraw/zinc/44/55/50/388445550.db2.gz YLFINWLHEFEIKR-SNVBAGLBSA-N 0 0 238.287 2.374 20 5 BEBDRN Cc1cc(CNc2ncc(C)cc2[N+](=O)[O-])on1 ZINC000090692254 388472011 /nfs/dbraw/zinc/47/20/11/388472011.db2.gz ISJRDVORRYIKRZ-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC(C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271845872 388408471 /nfs/dbraw/zinc/40/84/71/388408471.db2.gz VLKPDLDTXSLXLE-SECBINFHSA-N 0 0 236.271 2.428 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(-n2ccnc2)c(F)c1 ZINC000142109088 388411825 /nfs/dbraw/zinc/41/18/25/388411825.db2.gz FWZRYGQQBFJTPI-UHFFFAOYSA-N 0 0 225.154 2.059 20 5 BEBDRN CCc1ccc(C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000173995971 388433832 /nfs/dbraw/zinc/43/38/32/388433832.db2.gz ZKQIEQLMORQVFH-UHFFFAOYSA-N 0 0 248.282 2.393 20 5 BEBDRN CCc1ccc(C(=O)N[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000174178209 388436718 /nfs/dbraw/zinc/43/67/18/388436718.db2.gz IWXZFHOBRBSCFL-LDYMZIIASA-N 0 0 248.282 2.295 20 5 BEBDRN CCc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000174178220 388437396 /nfs/dbraw/zinc/43/73/96/388437396.db2.gz IWXZFHOBRBSCFL-KCJUWKMLSA-N 0 0 248.282 2.295 20 5 BEBDRN Cc1cc(C(=O)N(C)C2CC2)cc([N+](=O)[O-])c1 ZINC000194422020 388490284 /nfs/dbraw/zinc/49/02/84/388490284.db2.gz NBVLTLIBGJVMCV-UHFFFAOYSA-N 0 0 234.255 2.138 20 5 BEBDRN O=[N+]([O-])c1cccnc1Sc1ncco1 ZINC000444862207 388589914 /nfs/dbraw/zinc/58/99/14/388589914.db2.gz BUKXWRYCCCHLOU-UHFFFAOYSA-N 0 0 223.213 2.129 20 5 BEBDRN CC(C)Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000185174080 256851558 /nfs/dbraw/zinc/85/15/58/256851558.db2.gz YONYCNKWLBRXQI-UHFFFAOYSA-N 0 0 209.249 2.325 20 5 BEBDRN C[C@H](C1CC1)N(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000298145903 388557026 /nfs/dbraw/zinc/55/70/26/388557026.db2.gz VUABQHUUWWOECM-SECBINFHSA-N 0 0 248.282 2.465 20 5 BEBDRN O=[N+]([O-])c1ccccc1CNCc1cncs1 ZINC000054788429 388572038 /nfs/dbraw/zinc/57/20/38/388572038.db2.gz MNVIRRXCHIZHFW-UHFFFAOYSA-N 0 0 249.295 2.341 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CC3CCC2CC3)nc1 ZINC000311076248 388672904 /nfs/dbraw/zinc/67/29/04/388672904.db2.gz NHWYLMRRQVFSSH-AMUVOQDHSA-N 0 0 248.286 2.375 20 5 BEBDRN CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298897705 388674781 /nfs/dbraw/zinc/67/47/81/388674781.db2.gz XZARLBGEBOIAAM-UHFFFAOYSA-N 0 0 239.275 2.041 20 5 BEBDRN Cc1ccc(C)c(Cn2nccc2[N+](=O)[O-])c1 ZINC000298960304 388677602 /nfs/dbraw/zinc/67/76/02/388677602.db2.gz GSUJPIBFYFEXJU-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN O=[N+]([O-])c1cccc(Oc2ncc(F)cn2)c1 ZINC000301781039 388678172 /nfs/dbraw/zinc/67/81/72/388678172.db2.gz NLLPHCFSSUJHNW-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCCn2cccn2)c1 ZINC000299044085 388682747 /nfs/dbraw/zinc/68/27/47/388682747.db2.gz OFADPFAWUDXPNE-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN COCc1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000273868396 388633546 /nfs/dbraw/zinc/63/35/46/388633546.db2.gz SPFYKZLRYIKAPJ-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN Cc1cc(C)c(O[C@@H](C)[C@H](C)O)c([N+](=O)[O-])c1 ZINC000094654924 388639329 /nfs/dbraw/zinc/63/93/29/388639329.db2.gz BPXRJBNIYNWTQA-UWVGGRQHSA-N 0 0 239.271 2.360 20 5 BEBDRN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC1 ZINC000298789230 388659773 /nfs/dbraw/zinc/65/97/73/388659773.db2.gz DBPFIMRUCCBTQB-UHFFFAOYSA-N 0 0 240.646 2.094 20 5 BEBDRN C[C@](CO)(Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000301673509 388662821 /nfs/dbraw/zinc/66/28/21/388662821.db2.gz PGICQJHXQQDUGJ-GFCCVEGCSA-N 0 0 236.271 2.168 20 5 BEBDRN CC[C@@H](C)Cn1c(C)ccc([N+](=O)[O-])c1=O ZINC000276260895 388737865 /nfs/dbraw/zinc/73/78/65/388737865.db2.gz SJOXGJBQDGNTIY-MRVPVSSYSA-N 0 0 224.260 2.111 20 5 BEBDRN CC/C=C/CCn1c(C)ccc([N+](=O)[O-])c1=O ZINC000276261100 388738335 /nfs/dbraw/zinc/73/83/35/388738335.db2.gz SNTNBVCTYABCPN-SNAWJCMRSA-N 0 0 236.271 2.421 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)CO ZINC000276424015 388739646 /nfs/dbraw/zinc/73/96/46/388739646.db2.gz IVBYHSZLEGXFRU-SSDOTTSWSA-N 0 0 244.678 2.349 20 5 BEBDRN CC(C)(O)CCOc1c(F)cccc1[N+](=O)[O-] ZINC000124346310 388745812 /nfs/dbraw/zinc/74/58/12/388745812.db2.gz UQUMNEIEWQWZAT-UHFFFAOYSA-N 0 0 243.234 2.274 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CC1 ZINC000093901047 388748432 /nfs/dbraw/zinc/74/84/32/388748432.db2.gz UMWAQKSUVJYEQB-UHFFFAOYSA-N 0 0 248.282 2.412 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(Cl)c1NCCCO ZINC000277821427 388749789 /nfs/dbraw/zinc/74/97/89/388749789.db2.gz QIFMFPOTPTYDBH-UHFFFAOYSA-N 0 0 244.678 2.351 20 5 BEBDRN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)C ZINC000277892209 388751313 /nfs/dbraw/zinc/75/13/13/388751313.db2.gz LLJCRKSHMWCDLS-UHFFFAOYSA-N 0 0 242.662 2.258 20 5 BEBDRN Cc1ccc(NC(=O)c2cc[nH]c2)cc1[N+](=O)[O-] ZINC000068227509 388709552 /nfs/dbraw/zinc/70/95/52/388709552.db2.gz CBQYHIKKSSCOIW-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN O=[N+]([O-])c1ccsc1NC[C@@H]1CCCO1 ZINC000301927031 388711472 /nfs/dbraw/zinc/71/14/72/388711472.db2.gz HULTZLKGBLXQCH-ZETCQYMHSA-N 0 0 228.273 2.247 20 5 BEBDRN CCC[C@H](O)CNc1ccc([N+](=O)[O-])cc1C ZINC000080638485 388712347 /nfs/dbraw/zinc/71/23/47/388712347.db2.gz OSGJLBCFTSECEY-NSHDSACASA-N 0 0 238.287 2.476 20 5 BEBDRN CC(C)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000080789701 388713839 /nfs/dbraw/zinc/71/38/39/388713839.db2.gz KKMGKSMACMJOTC-LLVKDONJSA-N 0 0 224.260 2.024 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H](C3CC3)C2)nc1 ZINC000374318985 388715150 /nfs/dbraw/zinc/71/51/50/388715150.db2.gz UMOFRKUOEYSERW-SNVBAGLBSA-N 0 0 233.271 2.226 20 5 BEBDRN CC(C)CCCn1cc([N+](=O)[O-])ccc1=O ZINC000428096800 388719954 /nfs/dbraw/zinc/71/99/54/388719954.db2.gz ZKUMANVLHGRVBV-UHFFFAOYSA-N 0 0 224.260 2.193 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)Cc2ncc[nH]2)c1 ZINC000428132374 388719967 /nfs/dbraw/zinc/71/99/67/388719967.db2.gz SKWHIGYVBQFQIX-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN O=[N+]([O-])c1cccc(Oc2ncccn2)c1 ZINC000069056086 388720065 /nfs/dbraw/zinc/72/00/65/388720065.db2.gz KRKURAODLGEIQR-UHFFFAOYSA-N 0 0 217.184 2.177 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)c(OCCCO)c1 ZINC000069635322 388724334 /nfs/dbraw/zinc/72/43/34/388724334.db2.gz WKGYRKMQMNHQOD-UHFFFAOYSA-N 0 0 231.635 2.009 20 5 BEBDRN CC[C@@H](C)[C@@H](O)CNc1sccc1[N+](=O)[O-] ZINC000301980969 388725952 /nfs/dbraw/zinc/72/59/52/388725952.db2.gz AUXFOVVPNCDQTN-APPZFPTMSA-N 0 0 244.316 2.475 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCCOC2)cc1 ZINC000082431541 388727805 /nfs/dbraw/zinc/72/78/05/388727805.db2.gz LFJJWWAUCKTFBJ-SNVBAGLBSA-N 0 0 222.244 2.186 20 5 BEBDRN CC(C)(O)CCNc1ccc([N+](=O)[O-])cc1 ZINC000274726729 388733107 /nfs/dbraw/zinc/73/31/07/388733107.db2.gz ATOKUYXSJTTZDF-UHFFFAOYSA-N 0 0 224.260 2.168 20 5 BEBDRN Cc1ccc(OC[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000330796395 388761825 /nfs/dbraw/zinc/76/18/25/388761825.db2.gz FVEYGFKDXHFDCQ-JTQLQIEISA-N 0 0 237.255 2.319 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1NCCF ZINC000280488154 388784250 /nfs/dbraw/zinc/78/42/50/388784250.db2.gz AVEDTZUSHWYSJN-UHFFFAOYSA-N 0 0 219.603 2.025 20 5 BEBDRN C[C@@H](O)C[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000125516966 388789955 /nfs/dbraw/zinc/78/99/55/388789955.db2.gz SQHKKXBLIJKCSW-RKDXNWHRSA-N 0 0 224.260 2.166 20 5 BEBDRN CSC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000131242943 388843989 /nfs/dbraw/zinc/84/39/89/388843989.db2.gz IZKFLOYLWRJPJZ-SSDOTTSWSA-N 0 0 241.316 2.462 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(NC2CCC2)c1 ZINC000282319951 388814780 /nfs/dbraw/zinc/81/47/80/388814780.db2.gz ZMGCICOUATVDLD-UHFFFAOYSA-N 0 0 207.233 2.141 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCC(=O)C(F)F ZINC000282416399 388816588 /nfs/dbraw/zinc/81/65/88/388816588.db2.gz DQZOWLJEOGVZLO-UHFFFAOYSA-N 0 0 245.181 2.116 20 5 BEBDRN CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000156982419 388824769 /nfs/dbraw/zinc/82/47/69/388824769.db2.gz HZCQCFCSCPSEOE-UHFFFAOYSA-N 0 0 218.159 2.238 20 5 BEBDRN O=[N+]([O-])c1cnn(CCSCCCCF)c1 ZINC000285142806 388833177 /nfs/dbraw/zinc/83/31/77/388833177.db2.gz QZMHXCKDRVOMJL-UHFFFAOYSA-N 0 0 247.295 2.274 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCc3ccccc32)nc1 ZINC000302088637 388837554 /nfs/dbraw/zinc/83/75/54/388837554.db2.gz AJCIKOZZIPZUFC-UHFFFAOYSA-N 0 0 242.238 2.079 20 5 BEBDRN CON(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000301055272 388862559 /nfs/dbraw/zinc/86/25/59/388862559.db2.gz AATGVTPLMPZKNT-UHFFFAOYSA-N 0 0 233.227 2.141 20 5 BEBDRN Cc1ccc(Nc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000061700730 1172693698 /nfs/dbraw/zinc/69/36/98/1172693698.db2.gz JQFVBGRFTSULKH-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC=C(F)C2)nc1 ZINC000272594848 132200714 /nfs/dbraw/zinc/20/07/14/132200714.db2.gz WXUFPGVDNWPTID-UHFFFAOYSA-N 0 0 223.207 2.053 20 5 BEBDRN CC[C@@H]1CCCCN1c1ncc([N+](=O)[O-])cn1 ZINC000273229059 132201143 /nfs/dbraw/zinc/20/11/43/132201143.db2.gz WPPWWURBXPYECE-SECBINFHSA-N 0 0 236.275 2.154 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@H]3CCC[C@H]32)nc1 ZINC000273607509 132202193 /nfs/dbraw/zinc/20/21/93/132202193.db2.gz KXHWNYOGJHXIDA-MWLCHTKSSA-N 0 0 248.286 2.154 20 5 BEBDRN C[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000273568515 132202219 /nfs/dbraw/zinc/20/22/19/132202219.db2.gz CXZOUDRBLRFJQF-IUCAKERBSA-N 0 0 236.275 2.010 20 5 BEBDRN C[C@@H]1CC[C@H](C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000273633133 132202222 /nfs/dbraw/zinc/20/22/22/132202222.db2.gz QPTYJZSUUQHKLZ-DTWKUNHWSA-N 0 0 236.275 2.010 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCC(=O)[C@@H](C)C2)c1 ZINC000278526498 132207634 /nfs/dbraw/zinc/20/76/34/132207634.db2.gz ZMNVNYFOGLEEGL-JTQLQIEISA-N 0 0 248.282 2.319 20 5 BEBDRN C[C@@H]1CCCN(c2ccc(N)cc2[N+](=O)[O-])C1 ZINC000285737794 132213701 /nfs/dbraw/zinc/21/37/01/132213701.db2.gz TWJBHJPXOHBSRJ-SECBINFHSA-N 0 0 235.287 2.413 20 5 BEBDRN C[C@H]1C[C@H](C)CN(c2ncccc2[N+](=O)[O-])C1 ZINC000038556893 132346500 /nfs/dbraw/zinc/34/65/00/132346500.db2.gz FWCFPJLWMXILIA-UWVGGRQHSA-N 0 0 235.287 2.472 20 5 BEBDRN COC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000062153061 132387543 /nfs/dbraw/zinc/38/75/43/132387543.db2.gz JMPXYQTZFPGYJW-UHFFFAOYSA-N 0 0 236.271 2.210 20 5 BEBDRN Cc1noc(C)c1CNc1ccncc1[N+](=O)[O-] ZINC000066810648 133504931 /nfs/dbraw/zinc/50/49/31/133504931.db2.gz JKFNXSNLRPQHFU-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC[C@H](F)C2)c(F)c1 ZINC000335408240 133858200 /nfs/dbraw/zinc/85/82/00/133858200.db2.gz YNUBVMZDZPDQNN-VIFPVBQESA-N 0 0 242.225 2.278 20 5 BEBDRN O=[N+]([O-])c1cccc2c1ccn2C[C@H]1C[C@@H](O)C1 ZINC000335508334 133870268 /nfs/dbraw/zinc/87/02/68/133870268.db2.gz CVASIBHHULVZES-AOOOYVTPSA-N 0 0 246.266 2.320 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[C@@H]1C ZINC000335807747 133916486 /nfs/dbraw/zinc/91/64/86/133916486.db2.gz AAQWEGGZPLXEIB-UFBFGSQYSA-N 0 0 248.282 2.432 20 5 BEBDRN C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000336014514 134052557 /nfs/dbraw/zinc/05/25/57/134052557.db2.gz YRORWEMTHGBSQI-SFYZADRCSA-N 0 0 238.243 2.058 20 5 BEBDRN C[C@H]1C[C@H](C)N1C(=O)c1csc([N+](=O)[O-])c1 ZINC000336067041 134070711 /nfs/dbraw/zinc/07/07/11/134070711.db2.gz XWHQESZTSJFQIN-BQBZGAKWSA-N 0 0 240.284 2.279 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1CC12CCC(CC1)C2 ZINC000336121970 134091411 /nfs/dbraw/zinc/09/14/11/134091411.db2.gz OUMYLUJHDAUFQU-UHFFFAOYSA-N 0 0 248.282 2.337 20 5 BEBDRN C[C@@H]1CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000336141712 134100785 /nfs/dbraw/zinc/10/07/85/134100785.db2.gz OLAAJNOMNPERNJ-LDYMZIIASA-N 0 0 234.255 2.123 20 5 BEBDRN C[C@@H]1CC[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000336143363 134100922 /nfs/dbraw/zinc/10/09/22/134100922.db2.gz QLVRBQLQHMGWCA-KCJUWKMLSA-N 0 0 234.255 2.123 20 5 BEBDRN O=[N+]([O-])c1ccc(SC[C@@H]2CCOC2)nc1 ZINC000178751995 134310880 /nfs/dbraw/zinc/31/08/80/134310880.db2.gz WVLIBDZQFGOPSN-MRVPVSSYSA-N 0 0 240.284 2.118 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](F)C2)n1 ZINC000408103539 134392377 /nfs/dbraw/zinc/39/23/77/134392377.db2.gz BGAQWKRVYXVBEM-SECBINFHSA-N 0 0 239.250 2.237 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](F)C1 ZINC000408106189 134393503 /nfs/dbraw/zinc/39/35/03/134393503.db2.gz JZSNHTLZNFUZIR-VIFPVBQESA-N 0 0 239.250 2.237 20 5 BEBDRN Cc1ccc(N[C@H](C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000228128164 134408144 /nfs/dbraw/zinc/40/81/44/134408144.db2.gz DSYRDXAPHJFABW-NXEZZACHSA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1c(OC[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000076423980 135032961 /nfs/dbraw/zinc/03/29/61/135032961.db2.gz AOAXFQLZTJVOCB-JTQLQIEISA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1cc(CNc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000343160645 135363931 /nfs/dbraw/zinc/36/39/31/135363931.db2.gz YUJXXFHDVZTROL-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCOCCC(C)C ZINC000343795471 135695328 /nfs/dbraw/zinc/69/53/28/135695328.db2.gz WWJRYRVCHCRDLY-UHFFFAOYSA-N 0 0 241.291 2.162 20 5 BEBDRN C[C@@]1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC=CCC1 ZINC000335146049 135912182 /nfs/dbraw/zinc/91/21/82/135912182.db2.gz JVSDMUBDLYLVQJ-GFCCVEGCSA-N 0 0 249.270 2.152 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[C@H]1C ZINC000335289737 135998065 /nfs/dbraw/zinc/99/80/65/135998065.db2.gz OHRNNGYPUBLABK-PSASIEDQSA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C(F)F)cn1 ZINC000348217212 136046543 /nfs/dbraw/zinc/04/65/43/136046543.db2.gz JFVCVSBZIPVYPA-RNFRBKRXSA-N 0 0 229.186 2.055 20 5 BEBDRN O=c1c(F)cc([N+](=O)[O-])cn1[C@H]1C=CCCC1 ZINC000335340438 136064053 /nfs/dbraw/zinc/06/40/53/136064053.db2.gz BVRGATSSFAYENA-QMMMGPOBSA-N 0 0 238.218 2.177 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC3(CC3)C2)c1 ZINC000335401667 136094536 /nfs/dbraw/zinc/09/45/36/136094536.db2.gz YUMGUNOCUQFGRV-UHFFFAOYSA-N 0 0 246.266 2.139 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1N1CC[C@@H](F)C1 ZINC000335401660 136094668 /nfs/dbraw/zinc/09/46/68/136094668.db2.gz YRMXDKXHBSTJQZ-SSDOTTSWSA-N 0 0 228.198 2.282 20 5 BEBDRN CC1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000199788100 398073642 /nfs/dbraw/zinc/07/36/42/398073642.db2.gz ABETYLGHWUQOFU-UHFFFAOYSA-N 0 0 239.250 2.365 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@H]1CC[C@H](O)C1 ZINC000220046375 398083039 /nfs/dbraw/zinc/08/30/39/398083039.db2.gz IIQAQRGQOFSDRM-UWVGGRQHSA-N 0 0 236.271 2.168 20 5 BEBDRN CC(C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000135059317 167088619 /nfs/dbraw/zinc/08/86/19/167088619.db2.gz FFBOBFJMRFDCGW-UHFFFAOYSA-N 0 0 242.662 2.386 20 5 BEBDRN CC1(C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000530608779 322886502 /nfs/dbraw/zinc/88/65/02/322886502.db2.gz GSXBXEFFODYLOG-UHFFFAOYSA-N 0 0 234.255 2.219 20 5 BEBDRN Cc1cc(OC2CC(=O)C2)ccc1[N+](=O)[O-] ZINC000085503818 1172884442 /nfs/dbraw/zinc/88/44/42/1172884442.db2.gz IUNOGBHNFODPHM-UHFFFAOYSA-N 0 0 221.212 2.014 20 5 BEBDRN Cc1coc(Sc2ccc([N+](=O)[O-])nc2)n1 ZINC001650962662 1172910818 /nfs/dbraw/zinc/91/08/18/1172910818.db2.gz BSSOQSXZFNUDOZ-UHFFFAOYSA-N 0 0 237.240 2.437 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NC/C=C/Cl ZINC001651495428 1172955920 /nfs/dbraw/zinc/95/59/20/1172955920.db2.gz UQRHGHVSTNVADD-NSCUHMNNSA-N 0 0 227.651 2.463 20 5 BEBDRN CC(C)(C)CCOCn1cnc([N+](=O)[O-])c1 ZINC000292634154 166575112 /nfs/dbraw/zinc/57/51/12/166575112.db2.gz LBMWOHPIHOUABV-UHFFFAOYSA-N 0 0 227.264 2.202 20 5 BEBDRN CC(C)CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046136422 166767693 /nfs/dbraw/zinc/76/76/93/166767693.db2.gz KVNGSXINTZOJAN-UHFFFAOYSA-N 0 0 236.271 2.257 20 5 BEBDRN CC(C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000033303205 167036409 /nfs/dbraw/zinc/03/64/09/167036409.db2.gz GDMKBIXEIYPYBR-YVMONPNESA-N 0 0 234.255 2.133 20 5 BEBDRN CC(C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000134221511 167144572 /nfs/dbraw/zinc/14/45/72/167144572.db2.gz OKQOHMXCHNVOHF-UHFFFAOYSA-N 0 0 249.270 2.300 20 5 BEBDRN CC(C)[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000020362902 167385916 /nfs/dbraw/zinc/38/59/16/167385916.db2.gz TWILQJCIJMAAJH-MRVPVSSYSA-N 0 0 209.249 2.446 20 5 BEBDRN CCN(CC)c1nc2sccn2c1[N+](=O)[O-] ZINC000022156852 169806203 /nfs/dbraw/zinc/80/62/03/169806203.db2.gz BSHAUJDMCIUBAU-UHFFFAOYSA-N 0 0 240.288 2.150 20 5 BEBDRN CC1(NC(=O)c2ccc([N+](=O)[O-])o2)CCCC1 ZINC000049123607 168060623 /nfs/dbraw/zinc/06/06/23/168060623.db2.gz HTTLKSZJBYVZNJ-UHFFFAOYSA-N 0 0 238.243 2.250 20 5 BEBDRN CC1(NC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000125245034 168061642 /nfs/dbraw/zinc/06/16/42/168061642.db2.gz QZQGKISZQBZDJI-UHFFFAOYSA-N 0 0 234.255 2.267 20 5 BEBDRN CC1=CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000295185656 168093760 /nfs/dbraw/zinc/09/37/60/168093760.db2.gz SIYZFONFWBLGDY-UHFFFAOYSA-N 0 0 240.303 2.001 20 5 BEBDRN CC1=CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000270059577 168108396 /nfs/dbraw/zinc/10/83/96/168108396.db2.gz GEMFQKQYTQQADZ-UHFFFAOYSA-N 0 0 246.266 2.387 20 5 BEBDRN CC1CC(NC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000267689089 168145755 /nfs/dbraw/zinc/14/57/55/168145755.db2.gz JLWICMUHYSQDKO-UHFFFAOYSA-N 0 0 240.284 2.185 20 5 BEBDRN CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000163793800 168213172 /nfs/dbraw/zinc/21/31/72/168213172.db2.gz VQTCGLHVMOMWAF-UHFFFAOYSA-N 0 0 248.282 2.496 20 5 BEBDRN CCC(C)(C)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000265432018 168284830 /nfs/dbraw/zinc/28/48/30/168284830.db2.gz VVHMCYAPOFUCEG-UHFFFAOYSA-N 0 0 240.259 2.448 20 5 BEBDRN CCC(C)(C)Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000296521287 168302737 /nfs/dbraw/zinc/30/27/37/168302737.db2.gz MTDYBEPZNXPPQA-UHFFFAOYSA-N 0 0 224.264 2.294 20 5 BEBDRN CCN(CCCO)c1ccc([N+](=O)[O-])c(C)c1 ZINC000163150728 169835819 /nfs/dbraw/zinc/83/58/19/169835819.db2.gz NNNKEXCXXQDUSR-UHFFFAOYSA-N 0 0 238.287 2.112 20 5 BEBDRN CN(CCC(F)(F)F)c1ncccc1[N+](=O)[O-] ZINC000301302290 411437628 /nfs/dbraw/zinc/43/76/28/411437628.db2.gz YIAPANGJBMEYNG-UHFFFAOYSA-N 0 0 249.192 2.378 20 5 BEBDRN COc1cc(N2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000266462578 411494923 /nfs/dbraw/zinc/49/49/23/411494923.db2.gz YXNRXLGAABPRGN-VIFPVBQESA-N 0 0 236.271 2.450 20 5 BEBDRN CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000336257641 170100751 /nfs/dbraw/zinc/10/07/51/170100751.db2.gz GECNDPIOUMLWKN-UHFFFAOYSA-N 0 0 234.211 2.091 20 5 BEBDRN CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000148687634 170171103 /nfs/dbraw/zinc/17/11/03/170171103.db2.gz JHUPTMGILKQTMM-UHFFFAOYSA-N 0 0 235.165 2.440 20 5 BEBDRN CCOC1CC(n2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000294318399 170331278 /nfs/dbraw/zinc/33/12/78/170331278.db2.gz WNGWAFMLQQPQOD-UHFFFAOYSA-N 0 0 239.275 2.148 20 5 BEBDRN CC[C@@H](C)CN(C)c1ncccc1[N+](=O)[O-] ZINC000264830040 170699687 /nfs/dbraw/zinc/69/96/87/170699687.db2.gz ZIWIAYUVCRWRFO-SECBINFHSA-N 0 0 223.276 2.472 20 5 BEBDRN CC[C@@H](C)CN(C)c1ccc([N+](=O)[O-])cn1 ZINC000264741598 170699938 /nfs/dbraw/zinc/69/99/38/170699938.db2.gz KMDMYIVTDRPKRJ-SECBINFHSA-N 0 0 223.276 2.472 20 5 BEBDRN CC[C@@H](CCO)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000080647662 170820775 /nfs/dbraw/zinc/82/07/75/170820775.db2.gz YSWLVNRRNAIKNG-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@@H](O)COc1ccc([N+](=O)[O-])cc1Cl ZINC000037695030 170937009 /nfs/dbraw/zinc/93/70/09/170937009.db2.gz ZHIJMDYWCRQDRW-MRVPVSSYSA-N 0 0 245.662 2.398 20 5 BEBDRN CC[C@@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000130569384 171008120 /nfs/dbraw/zinc/00/81/20/171008120.db2.gz VPIAZHJULBVCPX-SNVBAGLBSA-N 0 0 248.282 2.467 20 5 BEBDRN CC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000268012040 171008973 /nfs/dbraw/zinc/00/89/73/171008973.db2.gz CQHALXUDPIEXOG-MRVPVSSYSA-N 0 0 238.243 2.060 20 5 BEBDRN CC[C@@H]1CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000293994757 171018204 /nfs/dbraw/zinc/01/82/04/171018204.db2.gz LSZASPYQVMDCMK-LLVKDONJSA-N 0 0 248.282 2.148 20 5 BEBDRN CC[C@@H]1CCN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000292300783 171026472 /nfs/dbraw/zinc/02/64/72/171026472.db2.gz NPHSQJOVJXEDAJ-SECBINFHSA-N 0 0 238.291 2.108 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000281892414 171139493 /nfs/dbraw/zinc/13/94/93/171139493.db2.gz WKGJURNBMZLFOB-BXKDBHETSA-N 0 0 248.282 2.432 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000281812851 171140847 /nfs/dbraw/zinc/14/08/47/171140847.db2.gz NZHXPCGRXFBVHJ-PSASIEDQSA-N 0 0 234.255 2.123 20 5 BEBDRN CC[C@@H]1C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000233918107 171142220 /nfs/dbraw/zinc/14/22/20/171142220.db2.gz MDSZBHJLLQKOKY-PHDIDXHHSA-N 0 0 213.262 2.262 20 5 BEBDRN CC[C@@](C)(O)CNc1cccc(C)c1[N+](=O)[O-] ZINC000218848375 171185602 /nfs/dbraw/zinc/18/56/02/171185602.db2.gz STUKDRWFMAHWFS-GFCCVEGCSA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@@](C)(O)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000087029642 171185864 /nfs/dbraw/zinc/18/58/64/171185864.db2.gz FCMWDROERTXNHW-GFCCVEGCSA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1 ZINC000082687873 171186520 /nfs/dbraw/zinc/18/65/20/171186520.db2.gz VDRHXADKRSLXDU-LLVKDONJSA-N 0 0 224.260 2.168 20 5 BEBDRN CC[C@H](C)CONc1c([N+](=O)[O-])c(C)nn1C ZINC000291640957 171290062 /nfs/dbraw/zinc/29/00/62/171290062.db2.gz BFWBBVMMPVYZRK-ZETCQYMHSA-N 0 0 242.279 2.026 20 5 BEBDRN CC[C@H](C)Cn1c(C)c([N+](=O)[O-])ccc1=O ZINC000298416556 171301473 /nfs/dbraw/zinc/30/14/73/171301473.db2.gz WKXQPNVKAYMINJ-QMMMGPOBSA-N 0 0 224.260 2.111 20 5 BEBDRN CC[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000121811171 171336576 /nfs/dbraw/zinc/33/65/76/171336576.db2.gz DRKHDORWNYTALT-VIFPVBQESA-N 0 0 236.271 2.432 20 5 BEBDRN CC[C@H](CCO)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000080647665 171429199 /nfs/dbraw/zinc/42/91/99/171429199.db2.gz YSWLVNRRNAIKNG-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@H](CCO)Nc1ccccc1[N+](=O)[O-] ZINC000077232673 171429296 /nfs/dbraw/zinc/42/92/96/171429296.db2.gz GQGFIWOJJQQNAR-SECBINFHSA-N 0 0 224.260 2.168 20 5 BEBDRN CC[C@H](CCO)Nc1sccc1[N+](=O)[O-] ZINC000301987489 171430404 /nfs/dbraw/zinc/43/04/04/171430404.db2.gz DJSNEAGMQZJVSI-SSDOTTSWSA-N 0 0 230.289 2.229 20 5 BEBDRN CC[C@H](CNc1ccc(N)cc1[N+](=O)[O-])OC ZINC000290732669 171441312 /nfs/dbraw/zinc/44/13/12/171441312.db2.gz QRMYWANFKKWFEY-SECBINFHSA-N 0 0 239.275 2.014 20 5 BEBDRN CC[C@](C)(O)CNc1cccc(F)c1[N+](=O)[O-] ZINC000083421576 171704800 /nfs/dbraw/zinc/70/48/00/171704800.db2.gz RZMOSWOFQAZXFD-NSHDSACASA-N 0 0 242.250 2.307 20 5 BEBDRN CCc1nn(C)c(NCC[C@H](C)F)c1[N+](=O)[O-] ZINC000338756123 172038939 /nfs/dbraw/zinc/03/89/39/172038939.db2.gz RFBGJAJJJFLWOK-ZETCQYMHSA-N 0 0 244.270 2.051 20 5 BEBDRN CCc1nn(C)c(N[C@@H]2CC[C@@H]2C)c1[N+](=O)[O-] ZINC000336718896 172039603 /nfs/dbraw/zinc/03/96/03/172039603.db2.gz VMVSXSSUGZKHQJ-IONNQARKSA-N 0 0 238.291 2.101 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[C@H]1C ZINC000336730951 172137240 /nfs/dbraw/zinc/13/72/40/172137240.db2.gz YLMYNHOAILPYGK-APPZFPTMSA-N 0 0 238.291 2.330 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[C@@H]1C ZINC000336730953 172137563 /nfs/dbraw/zinc/13/75/63/172137563.db2.gz YLMYNHOAILPYGK-CBAPKCEASA-N 0 0 238.291 2.330 20 5 BEBDRN CCn1ccnc1CNc1ccc([N+](=O)[O-])cc1 ZINC000051922508 172226234 /nfs/dbraw/zinc/22/62/34/172226234.db2.gz FNTCEDAFKVABLS-UHFFFAOYSA-N 0 0 246.270 2.423 20 5 BEBDRN CN(C(=O)CC1CCC1)c1ccc([N+](=O)[O-])nc1 ZINC000288782473 172301427 /nfs/dbraw/zinc/30/14/27/172301427.db2.gz JJORKUNMWBNQMC-UHFFFAOYSA-N 0 0 249.270 2.143 20 5 BEBDRN CN(C(=O)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000158566110 172302368 /nfs/dbraw/zinc/30/23/68/172302368.db2.gz VTXQQZIIWUQNJG-UHFFFAOYSA-N 0 0 234.255 2.358 20 5 BEBDRN CN(CC(C)(C)C)c1ncccc1[N+](=O)[O-] ZINC000263820707 172625556 /nfs/dbraw/zinc/62/55/56/172625556.db2.gz XVALERTVLSNTHX-UHFFFAOYSA-N 0 0 223.276 2.472 20 5 BEBDRN CN(CC1CC1)c1ccc(N)cc1[N+](=O)[O-] ZINC000283597701 172652187 /nfs/dbraw/zinc/65/21/87/172652187.db2.gz QJVJDMSPBYFATO-UHFFFAOYSA-N 0 0 221.260 2.023 20 5 BEBDRN CN(C[C@H]1CCOC1)c1sccc1[N+](=O)[O-] ZINC000301926488 172834566 /nfs/dbraw/zinc/83/45/66/172834566.db2.gz HMJUUAWXGZNREM-MRVPVSSYSA-N 0 0 242.300 2.129 20 5 BEBDRN CN(Cc1cocn1)Cc1ccccc1[N+](=O)[O-] ZINC000191927500 172920536 /nfs/dbraw/zinc/92/05/36/172920536.db2.gz PPEAZQHTWUMZEL-UHFFFAOYSA-N 0 0 247.254 2.215 20 5 BEBDRN CN(c1ncccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000302870876 172955848 /nfs/dbraw/zinc/95/58/48/172955848.db2.gz YRRMDFNMMUYMID-SECBINFHSA-N 0 0 221.260 2.225 20 5 BEBDRN CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000035084498 173480718 /nfs/dbraw/zinc/48/07/18/173480718.db2.gz PSOKIMNXOQGKFT-UHFFFAOYSA-N 0 0 203.201 2.185 20 5 BEBDRN COC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000116521887 173888556 /nfs/dbraw/zinc/88/85/56/173888556.db2.gz GCJRDSAZLFQZHG-UHFFFAOYSA-N 0 0 239.227 2.169 20 5 BEBDRN COCC(C)(C)CNc1ccncc1[N+](=O)[O-] ZINC000310334357 174076501 /nfs/dbraw/zinc/07/65/01/174076501.db2.gz KWEQHKXBVPEXEM-UHFFFAOYSA-N 0 0 239.275 2.074 20 5 BEBDRN COCCCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000356 174203399 /nfs/dbraw/zinc/20/33/99/174203399.db2.gz WWQQJKKZLIYHRH-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN COCCCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000310390988 174251386 /nfs/dbraw/zinc/25/13/86/174251386.db2.gz LAAFFWLDYZGVPO-UHFFFAOYSA-N 0 0 242.250 2.491 20 5 BEBDRN COCCCNc1ncc([N+](=O)[O-])cc1Cl ZINC000227647611 174252183 /nfs/dbraw/zinc/25/21/83/174252183.db2.gz YGUIUILKKMYTRI-UHFFFAOYSA-N 0 0 245.666 2.092 20 5 BEBDRN COCCOc1c(Cl)cccc1[N+](=O)[O-] ZINC000130596714 174367081 /nfs/dbraw/zinc/36/70/81/174367081.db2.gz JUULUYZZZIQBCB-UHFFFAOYSA-N 0 0 231.635 2.273 20 5 BEBDRN COCCSc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359100108 174377808 /nfs/dbraw/zinc/37/78/08/174377808.db2.gz XBJXSZLPAQBOHV-UHFFFAOYSA-N 0 0 242.300 2.345 20 5 BEBDRN COC[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000020474748 174552918 /nfs/dbraw/zinc/55/29/18/174552918.db2.gz AKFLEACJLHMLMQ-ZETCQYMHSA-N 0 0 228.223 2.181 20 5 BEBDRN COCc1noc(-c2cc(C)cc([N+](=O)[O-])c2)n1 ZINC000113725419 174647928 /nfs/dbraw/zinc/64/79/28/174647928.db2.gz MWHSRVZVIRQCDE-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN CO[C@@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000337310117 174762730 /nfs/dbraw/zinc/76/27/30/174762730.db2.gz VVZZUCKTQIVCLD-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN CO[C@H](C)CN(C)c1ccc(F)cc1[N+](=O)[O-] ZINC000286417892 174824834 /nfs/dbraw/zinc/82/48/34/174824834.db2.gz OJMRZYGYUIVRQG-MRVPVSSYSA-N 0 0 242.250 2.205 20 5 BEBDRN COc1ccc(C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000057465066 175065754 /nfs/dbraw/zinc/06/57/54/175065754.db2.gz DMFGHXLWZBPGIH-UHFFFAOYSA-N 0 0 239.227 2.169 20 5 BEBDRN COc1ccc(NC(=O)C2=CCC2)c([N+](=O)[O-])c1 ZINC000355299158 175140410 /nfs/dbraw/zinc/14/04/10/175140410.db2.gz KMFXFOSPVFZMIP-UHFFFAOYSA-N 0 0 248.238 2.262 20 5 BEBDRN COc1ccc(OC2CC2)c([N+](=O)[O-])c1 ZINC000095730627 175171267 /nfs/dbraw/zinc/17/12/67/175171267.db2.gz CUOKLBFFAMMRNL-UHFFFAOYSA-N 0 0 209.201 2.145 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(OC2CC2)c1 ZINC000095730103 175201237 /nfs/dbraw/zinc/20/12/37/175201237.db2.gz JRURPWNXUBFYPQ-UHFFFAOYSA-N 0 0 209.201 2.145 20 5 BEBDRN COc1cccc(Cn2cc([N+](=O)[O-])c(C)n2)c1 ZINC000181812636 175273642 /nfs/dbraw/zinc/27/36/42/175273642.db2.gz IMELGHVRLPPFDS-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN C[C@@H](F)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000356714889 175788962 /nfs/dbraw/zinc/78/89/62/175788962.db2.gz SOLBSCDJUDSKBB-MRVPVSSYSA-N 0 0 240.234 2.073 20 5 BEBDRN C[C@@H]1CCCCCN1c1ncc([N+](=O)[O-])cn1 ZINC000302161792 176064174 /nfs/dbraw/zinc/06/41/74/176064174.db2.gz PSSRRXWBFQIRDA-SECBINFHSA-N 0 0 236.275 2.154 20 5 BEBDRN C[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000060249414 176107607 /nfs/dbraw/zinc/10/76/07/176107607.db2.gz LDLSDDWCZMKILI-SECBINFHSA-N 0 0 234.255 2.219 20 5 BEBDRN C[C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277926122 176182417 /nfs/dbraw/zinc/18/24/17/176182417.db2.gz TVEMLICFNBTBFT-MRVPVSSYSA-N 0 0 246.270 2.317 20 5 BEBDRN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000265524150 176182704 /nfs/dbraw/zinc/18/27/04/176182704.db2.gz MOENLLORYHDASR-SSDOTTSWSA-N 0 0 241.678 2.489 20 5 BEBDRN C[C@@H]1CC[C@@H](C)N1c1ccc([N+](=O)[O-])cn1 ZINC000301609418 176200431 /nfs/dbraw/zinc/20/04/31/176200431.db2.gz BDAGSAUBOJZKMG-RKDXNWHRSA-N 0 0 221.260 2.367 20 5 BEBDRN C[C@H]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000252960593 176214687 /nfs/dbraw/zinc/21/46/87/176214687.db2.gz NKJDLGJYJUVIHW-KYZUINATSA-N 0 0 238.291 2.319 20 5 BEBDRN C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000294426461 176264891 /nfs/dbraw/zinc/26/48/91/176264891.db2.gz ZOPMALHRQVRURH-RNFRBKRXSA-N 0 0 240.284 2.137 20 5 BEBDRN C[C@@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@H]1C ZINC000288556791 176319355 /nfs/dbraw/zinc/31/93/55/176319355.db2.gz VYTIQAQAYODLAI-RKDXNWHRSA-N 0 0 235.287 2.269 20 5 BEBDRN C[C@@H]1CSC[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000309795208 176357180 /nfs/dbraw/zinc/35/71/80/176357180.db2.gz QADIYYSEXOSCMW-HTQZYQBOSA-N 0 0 239.300 2.153 20 5 BEBDRN C[C@H](CF)NCc1ccccc1[N+](=O)[O-] ZINC000288565048 176648319 /nfs/dbraw/zinc/64/83/19/176648319.db2.gz ZDXQXANBTXWQKX-MRVPVSSYSA-N 0 0 212.224 2.042 20 5 BEBDRN C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000035205654 176707935 /nfs/dbraw/zinc/70/79/35/176707935.db2.gz GZPVMPZLYHEDSQ-ZCFIWIBFSA-N 0 0 230.651 2.041 20 5 BEBDRN C[C@@H](CO)[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000077227981 176934369 /nfs/dbraw/zinc/93/43/69/176934369.db2.gz BMELPPIUERPGHW-IUCAKERBSA-N 0 0 224.260 2.024 20 5 BEBDRN C[C@@H](Sc1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000085486029 177006693 /nfs/dbraw/zinc/00/66/93/177006693.db2.gz IPWXBOGBRAVPKK-JGVFFNPUSA-N 0 0 227.285 2.456 20 5 BEBDRN C[C@H]1CCCCCN1c1ncc([N+](=O)[O-])cn1 ZINC000302161794 177070305 /nfs/dbraw/zinc/07/03/05/177070305.db2.gz PSSRRXWBFQIRDA-VIFPVBQESA-N 0 0 236.275 2.154 20 5 BEBDRN C[C@H]1CCCCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000274772138 177072056 /nfs/dbraw/zinc/07/20/56/177072056.db2.gz UPIQSGMALUKWOQ-VIFPVBQESA-N 0 0 236.275 2.011 20 5 BEBDRN C[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000005533667 177095308 /nfs/dbraw/zinc/09/53/08/177095308.db2.gz MUNHDJSXVJPOIV-JTQLQIEISA-N 0 0 248.282 2.467 20 5 BEBDRN C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269375359 177171916 /nfs/dbraw/zinc/17/19/16/177171916.db2.gz NNCPKRFAVWYQHK-ZETCQYMHSA-N 0 0 241.678 2.489 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000294178232 177221679 /nfs/dbraw/zinc/22/16/79/177221679.db2.gz JKVJGUNMTSMGIB-DTWKUNHWSA-N 0 0 249.270 2.467 20 5 BEBDRN C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000159232744 177265053 /nfs/dbraw/zinc/26/50/53/177265053.db2.gz ONUQUKKAWHRBKY-JTQLQIEISA-N 0 0 248.282 2.006 20 5 BEBDRN C[C@H]1CN(c2ccccc2[N+](=O)[O-])CCCO1 ZINC000171047834 177277466 /nfs/dbraw/zinc/27/74/66/177277466.db2.gz OAUXRBUDAWBPMR-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN C[C@H]1CN(c2ncccc2[N+](=O)[O-])C[C@@H]1C ZINC000267574588 177279459 /nfs/dbraw/zinc/27/94/59/177279459.db2.gz ASZATMKQZGYSRZ-IUCAKERBSA-N 0 0 221.260 2.082 20 5 BEBDRN C[C@H]1COCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000371097038 177289702 /nfs/dbraw/zinc/28/97/02/177289702.db2.gz ACEDNGZQHHBXDE-SNVBAGLBSA-N 0 0 236.271 2.068 20 5 BEBDRN C[C@H]1C[C@@H]1CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000352912107 177342448 /nfs/dbraw/zinc/34/24/48/177342448.db2.gz JBHLAYXLHNXACZ-GXSJLCMTSA-N 0 0 248.282 2.257 20 5 BEBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NC1CCC1 ZINC000491291652 225623800 /nfs/dbraw/zinc/62/38/00/225623800.db2.gz SECKDLAUIICIKK-TWGQIWQCSA-N 0 0 246.266 2.277 20 5 BEBDRN O=[N+]([O-])c1cccnc1SCc1cn[nH]c1 ZINC000505513626 226356187 /nfs/dbraw/zinc/35/61/87/226356187.db2.gz OJMCPYLROXVWKK-UHFFFAOYSA-N 0 0 236.256 2.005 20 5 BEBDRN Cc1ncc(CNc2nc(C)ccc2[N+](=O)[O-])o1 ZINC000397888161 262939571 /nfs/dbraw/zinc/93/95/71/262939571.db2.gz KEZNNJMBPKEHJY-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC(C)C[C@@H](C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128306 588593175 /nfs/dbraw/zinc/59/31/75/588593175.db2.gz QCWHWDFXEXHAMV-SECBINFHSA-N 0 0 231.292 2.267 20 5 BEBDRN CC1(C)CCCN1c1ccc([N+](=O)[O-])nc1 ZINC000560201327 322983799 /nfs/dbraw/zinc/98/37/99/322983799.db2.gz MWRPPBGESNRQRF-UHFFFAOYSA-N 0 0 221.260 2.369 20 5 BEBDRN C[C@@H]1C[C@@H]1c1noc(-c2cc([N+](=O)[O-])c[nH]2)n1 ZINC000570094642 323049643 /nfs/dbraw/zinc/04/96/43/323049643.db2.gz JJRWOVZDILTOKL-VDTYLAMSSA-N 0 0 234.215 2.096 20 5 BEBDRN CN(C(=O)c1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000531623737 323110600 /nfs/dbraw/zinc/11/06/00/323110600.db2.gz AIFPVZGULVASCO-UHFFFAOYSA-N 0 0 249.270 2.004 20 5 BEBDRN O=[N+]([O-])c1cccc(OC[C@@H]2CCCOC2)c1 ZINC000531876112 323118717 /nfs/dbraw/zinc/11/87/17/323118717.db2.gz LMMXOZRHLYGUHQ-SNVBAGLBSA-N 0 0 237.255 2.400 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)OC(C)C ZINC000064162447 323161442 /nfs/dbraw/zinc/16/14/42/323161442.db2.gz VYHBEDBDGGYTRE-UHFFFAOYSA-N 0 0 223.228 2.468 20 5 BEBDRN O=C(Nc1ccsc1)c1ccc([N+](=O)[O-])cn1 ZINC000532138078 323206801 /nfs/dbraw/zinc/20/68/01/323206801.db2.gz HQNZJOIYWXVDSO-UHFFFAOYSA-N 0 0 249.251 2.304 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@@H]2CCCOC2)cc1 ZINC000532132559 323207224 /nfs/dbraw/zinc/20/72/24/323207224.db2.gz NDQAFBROWNWRQT-SNVBAGLBSA-N 0 0 237.255 2.400 20 5 BEBDRN CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000043468564 323275953 /nfs/dbraw/zinc/27/59/53/323275953.db2.gz CJTGUKQIZATCQD-UHFFFAOYSA-N 0 0 223.232 2.045 20 5 BEBDRN CCOCCOc1ccc([N+](=O)[O-])cc1F ZINC000060807139 324049513 /nfs/dbraw/zinc/04/95/13/324049513.db2.gz OKNIAKPPQKIZLP-UHFFFAOYSA-N 0 0 229.207 2.149 20 5 BEBDRN CCc1nnc(CNc2cccc([N+](=O)[O-])c2)o1 ZINC000073626316 324114572 /nfs/dbraw/zinc/11/45/72/324114572.db2.gz YSACKXCCPFMNBC-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN Cc1nnc([C@H](C)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000539200003 324828374 /nfs/dbraw/zinc/82/83/74/324828374.db2.gz RSNNBARMUNUNKY-ZETCQYMHSA-N 0 0 248.242 2.459 20 5 BEBDRN C[C@@H]1C[C@H]1c1noc(-c2cc([N+](=O)[O-])cn2C)n1 ZINC000545062971 325174623 /nfs/dbraw/zinc/17/46/23/325174623.db2.gz LDYMIMFWDQASBU-HTRCEHHLSA-N 0 0 248.242 2.107 20 5 BEBDRN Cc1cc(CNc2cc(C)c([N+](=O)[O-])cn2)no1 ZINC000073000363 325185163 /nfs/dbraw/zinc/18/51/63/325185163.db2.gz CSGVYOLOYFFKGX-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC(C)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000132744094 325243061 /nfs/dbraw/zinc/24/30/61/325243061.db2.gz RXNPWHHPCIDIBU-UHFFFAOYSA-N 0 0 237.259 2.467 20 5 BEBDRN Cc1nn(CCC(C)C)c(C)c1[N+](=O)[O-] ZINC000078383891 325416694 /nfs/dbraw/zinc/41/66/94/325416694.db2.gz CIONACDWFPDDFH-UHFFFAOYSA-N 0 0 211.265 2.454 20 5 BEBDRN CCn1nccc1/C=C/c1ccc([N+](=O)[O-])cn1 ZINC000152667062 325543837 /nfs/dbraw/zinc/54/38/37/325543837.db2.gz LFNDFGCKPJDDSG-HWKANZROSA-N 0 0 244.254 2.377 20 5 BEBDRN Cc1cc(CNc2ncc(C)cc2[N+](=O)[O-])no1 ZINC000090692247 325679361 /nfs/dbraw/zinc/67/93/61/325679361.db2.gz KVHWZYVRYSCYLJ-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN C[C@@H](C(=O)N1CC(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000554797893 325736656 /nfs/dbraw/zinc/73/66/56/325736656.db2.gz HPZSNSUFKLNFJK-SNVBAGLBSA-N 0 0 248.282 2.177 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2(CF)CCC2)nc1 ZINC000566161501 326004394 /nfs/dbraw/zinc/00/43/94/326004394.db2.gz DBGBXTPNQHTEIA-UHFFFAOYSA-N 0 0 225.223 2.294 20 5 BEBDRN CCCCCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000566223506 326017923 /nfs/dbraw/zinc/01/79/23/326017923.db2.gz OQZJLEOIQAWOEO-UHFFFAOYSA-N 0 0 228.223 2.086 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(OCc2ccno2)c1C ZINC000566498555 326059100 /nfs/dbraw/zinc/05/91/00/326059100.db2.gz IHBILFGUZKLSQG-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN O=C(N[C@H]1C=CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000158503630 326325294 /nfs/dbraw/zinc/32/52/94/326325294.db2.gz YSKYHIXNTRLAHE-NSHDSACASA-N 0 0 246.266 2.433 20 5 BEBDRN C[C@]1(F)CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000568592414 326366492 /nfs/dbraw/zinc/36/64/92/326366492.db2.gz JJKTXKMMODNNQE-NSHDSACASA-N 0 0 239.250 2.318 20 5 BEBDRN C[C@H](C1CC1)N(C)c1ncc([N+](=O)[O-])s1 ZINC000568711216 326372264 /nfs/dbraw/zinc/37/22/64/326372264.db2.gz GNOMJDBBAODNPW-ZCFIWIBFSA-N 0 0 227.289 2.286 20 5 BEBDRN CNc1ccc([N+](=O)[O-])cc1NC(=O)CC1CC1 ZINC000569106727 326390298 /nfs/dbraw/zinc/39/02/98/326390298.db2.gz FHQUZAFOKAEEAX-UHFFFAOYSA-N 0 0 249.270 2.375 20 5 BEBDRN COCc1noc(-c2cccc(C)c2[N+](=O)[O-])n1 ZINC000572842521 326414154 /nfs/dbraw/zinc/41/41/54/326414154.db2.gz GCBSWLGTXQHEDR-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN Cc1cc(C(=O)N(C)C(C)C)cc([N+](=O)[O-])c1 ZINC000121940263 490210228 /nfs/dbraw/zinc/21/02/28/490210228.db2.gz MQWHHFPQQRKPIP-UHFFFAOYSA-N 0 0 236.271 2.384 20 5 BEBDRN O=C(NC1CC=CC1)c1ccc([N+](=O)[O-])cc1 ZINC000154280125 490290290 /nfs/dbraw/zinc/29/02/90/490290290.db2.gz RDBIGVAOBMOUKC-UHFFFAOYSA-N 0 0 232.239 2.043 20 5 BEBDRN O=[N+]([O-])c1cnc2ccccc2c1N1CC(F)C1 ZINC000488116239 534889274 /nfs/dbraw/zinc/88/92/74/534889274.db2.gz NQFZWQBKLYQYMN-UHFFFAOYSA-N 0 0 247.229 2.301 20 5 BEBDRN C=C=CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493672598 526914501 /nfs/dbraw/zinc/91/45/01/526914501.db2.gz HVSUUCFCQSFCGN-TWGQIWQCSA-N 0 0 244.250 2.065 20 5 BEBDRN C=C=CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492946290 526914532 /nfs/dbraw/zinc/91/45/32/526914532.db2.gz GGRIUBAXBZLOIW-HJWRWDBZSA-N 0 0 244.250 2.065 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C)[C@H]2C)n1 ZINC000853650372 588752130 /nfs/dbraw/zinc/75/21/30/588752130.db2.gz PHEKNBIRQPOBCB-VXNVDRBHSA-N 0 0 221.260 2.143 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]2C(F)F)n1 ZINC000853649761 588752181 /nfs/dbraw/zinc/75/21/81/588752181.db2.gz CMYKTPFQHYVRKX-ZETCQYMHSA-N 0 0 243.213 2.142 20 5 BEBDRN CC1=NO[C@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000853660298 588753207 /nfs/dbraw/zinc/75/32/07/588753207.db2.gz AZPRETBOVYRQQP-NSHDSACASA-N 0 0 249.270 2.480 20 5 BEBDRN CC1=NO[C@@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000853660820 588753694 /nfs/dbraw/zinc/75/36/94/588753694.db2.gz KWEBDKLGBKVPSM-SNVBAGLBSA-N 0 0 249.270 2.480 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1C=CCC1 ZINC000853825462 588765130 /nfs/dbraw/zinc/76/51/30/588765130.db2.gz BVMIEANKDMYPHY-VIFPVBQESA-N 0 0 247.254 2.435 20 5 BEBDRN CCCOC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000112467090 588799111 /nfs/dbraw/zinc/79/91/11/588799111.db2.gz VKVZILQZIYNKPR-UHFFFAOYSA-N 0 0 238.243 2.052 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1CC[C@H]2C[C@H]21 ZINC000804689089 582526669 /nfs/dbraw/zinc/52/66/69/582526669.db2.gz XLXGJHHBSTZWNP-POYBYMJQSA-N 0 0 210.258 2.255 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]3C[C@@H]32)cc1 ZINC000804689700 582527552 /nfs/dbraw/zinc/52/75/52/582527552.db2.gz SAUSHZCBFIJQBP-KCJUWKMLSA-N 0 0 204.229 2.193 20 5 BEBDRN C/C(=C\C(=O)OC[C@@H](C)[N+](=O)[O-])C(C)(C)C ZINC000813104584 582580665 /nfs/dbraw/zinc/58/06/65/582580665.db2.gz PBCBGCAVKBSQDS-BNICOGTQSA-N 0 0 229.276 2.187 20 5 BEBDRN C/C(=C\C(C)(C)C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813104619 582580773 /nfs/dbraw/zinc/58/07/73/582580773.db2.gz FKPYAWCOOQZOSF-ORZBULNSSA-N 0 0 229.276 2.187 20 5 BEBDRN CCCCS[C@@H](C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813106238 582581541 /nfs/dbraw/zinc/58/15/41/582581541.db2.gz BEYPOTIPZOGRID-IUCAKERBSA-N 0 0 249.332 2.117 20 5 BEBDRN CC(C)c1occc1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813107108 582581610 /nfs/dbraw/zinc/58/16/10/582581610.db2.gz JUNPGEQOOCGWOM-QMMMGPOBSA-N 0 0 241.243 2.225 20 5 BEBDRN CC(C)c1occc1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813107107 582581694 /nfs/dbraw/zinc/58/16/94/582581694.db2.gz JUNPGEQOOCGWOM-MRVPVSSYSA-N 0 0 241.243 2.225 20 5 BEBDRN C[C@@H](COC(=O)[C@H]1CCCC(C)(C)C1)[N+](=O)[O-] ZINC000813115375 582591983 /nfs/dbraw/zinc/59/19/83/582591983.db2.gz QIABZMZBALVLNZ-UWVGGRQHSA-N 0 0 243.303 2.411 20 5 BEBDRN O=[N+]([O-])c1cc([N+](=O)[O-])cc(N2CCCC2)c1 ZINC000891393528 582676590 /nfs/dbraw/zinc/67/65/90/582676590.db2.gz HQIDPUHHLWMRJM-UHFFFAOYSA-N 0 0 237.215 2.103 20 5 BEBDRN CCCCN(C)c1ncc([N+](=O)[O-])cc1OC ZINC000891408027 582679671 /nfs/dbraw/zinc/67/96/71/582679671.db2.gz FICREWFCUCDBBC-UHFFFAOYSA-N 0 0 239.275 2.235 20 5 BEBDRN CC(C)(COC(=O)c1sccc1F)[N+](=O)[O-] ZINC000851130006 582946551 /nfs/dbraw/zinc/94/65/51/582946551.db2.gz UBKPVJVYIPNGMP-UHFFFAOYSA-N 0 0 247.247 2.099 20 5 BEBDRN CC(C)(COC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)[N+](=O)[O-] ZINC000851130046 582947293 /nfs/dbraw/zinc/94/72/93/582947293.db2.gz VBZYMQBLWYLEMY-OPRDCNLKSA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@@H]1CCC[C@@]1(C)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000893048766 583037950 /nfs/dbraw/zinc/03/79/50/583037950.db2.gz YCVGJCXONVMFCD-HOSYDEDBSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1ncoc1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000853640326 583058793 /nfs/dbraw/zinc/05/87/93/583058793.db2.gz AGGPVMCEFPXULV-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN C[C@@H]1CCC[C@@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000893674506 583195400 /nfs/dbraw/zinc/19/54/00/583195400.db2.gz BBPKMCYOLJVNQY-RKDXNWHRSA-N 0 0 238.291 2.176 20 5 BEBDRN CC(C)[C@]1(C)C[C@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000894160800 583322004 /nfs/dbraw/zinc/32/20/04/583322004.db2.gz CVGNBMWUSDSYIG-KOLCDFICSA-N 0 0 238.291 2.175 20 5 BEBDRN O=[N+]([O-])CCN1CCC[C@@H]1c1cccc(F)c1 ZINC000791051382 583383921 /nfs/dbraw/zinc/38/39/21/583383921.db2.gz CGCCPGJWCKCFSU-GFCCVEGCSA-N 0 0 238.262 2.239 20 5 BEBDRN CC(C)(C)CCCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840673316 583422822 /nfs/dbraw/zinc/42/28/22/583422822.db2.gz JZTSSJUTKSQWRH-RKDXNWHRSA-N 0 0 229.276 2.021 20 5 BEBDRN Cc1ncoc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000894384946 583443317 /nfs/dbraw/zinc/44/33/17/583443317.db2.gz IWFDVGVKHFHBBF-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN Cc1cnc(N2CC[C@@H](CF)C2)c([N+](=O)[O-])c1 ZINC000882841350 583643745 /nfs/dbraw/zinc/64/37/45/583643745.db2.gz SWDFNHSYPSXSKU-VIFPVBQESA-N 0 0 239.250 2.094 20 5 BEBDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000895537671 583687570 /nfs/dbraw/zinc/68/75/70/583687570.db2.gz SIAMLPSMHPDTBM-BDNRQGISSA-N 0 0 249.270 2.152 20 5 BEBDRN CO[C@H]1CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1 ZINC000897148240 583884372 /nfs/dbraw/zinc/88/43/72/583884372.db2.gz DNURKXMBEPLXPQ-RYUDHWBXSA-N 0 0 236.271 2.208 20 5 BEBDRN C[C@H]1CCCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000751961822 583942215 /nfs/dbraw/zinc/94/22/15/583942215.db2.gz UZWJKMQBDWMZOJ-VIFPVBQESA-N 0 0 246.270 2.231 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2COC[C@@H]2C2CC2)cc1 ZINC000897442123 583984666 /nfs/dbraw/zinc/98/46/66/583984666.db2.gz RHGYGOVOIUEHCN-OLZOCXBDSA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])c1cc(CNC/C=C/Cl)cs1 ZINC000898435587 584136143 /nfs/dbraw/zinc/13/61/43/584136143.db2.gz JOMSPTBOMBSVPC-OWOJBTEDSA-N 0 0 232.692 2.498 20 5 BEBDRN CC(C)c1ccc(OCC[N+](=O)[O-])cc1 ZINC000899230894 584183043 /nfs/dbraw/zinc/18/30/43/584183043.db2.gz NCOCURPXOYVZDZ-UHFFFAOYSA-N 0 0 209.245 2.466 20 5 BEBDRN CCCc1ccc(OCC[N+](=O)[O-])cc1 ZINC000899231311 584183054 /nfs/dbraw/zinc/18/30/54/584183054.db2.gz PYMNLCMHNNQFRN-UHFFFAOYSA-N 0 0 209.245 2.295 20 5 BEBDRN Cc1cccc(Cl)c1OCC[N+](=O)[O-] ZINC000899231933 584183574 /nfs/dbraw/zinc/18/35/74/584183574.db2.gz VDOVBKUJHXQLOX-UHFFFAOYSA-N 0 0 215.636 2.304 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N1CC2(C1)CCCO2 ZINC000858722456 588975219 /nfs/dbraw/zinc/97/52/19/588975219.db2.gz YKRJKEZJGXOQOX-UHFFFAOYSA-N 0 0 248.282 2.272 20 5 BEBDRN Cc1ccc(OC(=O)OCCF)c([N+](=O)[O-])c1 ZINC000858884600 588982237 /nfs/dbraw/zinc/98/22/37/588982237.db2.gz ZQMHHUXXOKJKLX-UHFFFAOYSA-N 0 0 243.190 2.388 20 5 BEBDRN C[C@@H](NC(=O)CCF)c1ccccc1[N+](=O)[O-] ZINC000901328912 584423733 /nfs/dbraw/zinc/42/37/33/584423733.db2.gz JDTYCWMJRKQFHZ-MRVPVSSYSA-N 0 0 240.234 2.132 20 5 BEBDRN O=[N+]([O-])c1ccccc1CSC1COC1 ZINC000901634239 584472608 /nfs/dbraw/zinc/47/26/08/584472608.db2.gz OAWJHTRKNVZYFH-UHFFFAOYSA-N 0 0 225.269 2.227 20 5 BEBDRN COC[C@@H](SCC[N+](=O)[O-])c1ccccc1 ZINC000901667483 584477303 /nfs/dbraw/zinc/47/73/03/584477303.db2.gz KTSBQWUTKDAFRU-LLVKDONJSA-N 0 0 241.312 2.384 20 5 BEBDRN O=[N+]([O-])c1cccc(OC[C@@H]2C[C@]23CCOC3)c1 ZINC000902120346 584528400 /nfs/dbraw/zinc/52/84/00/584528400.db2.gz RZNZURNICUUQEW-GWCFXTLKSA-N 0 0 249.266 2.400 20 5 BEBDRN O=[N+]([O-])c1cccc(OC[C@H]2C[C@@]23CCOC3)c1 ZINC000902120351 584528683 /nfs/dbraw/zinc/52/86/83/584528683.db2.gz RZNZURNICUUQEW-ZWNOBZJWSA-N 0 0 249.266 2.400 20 5 BEBDRN C[C@@H](NC(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000902916418 584691448 /nfs/dbraw/zinc/69/14/48/584691448.db2.gz QPZKSNPYWNEOEC-MRVPVSSYSA-N 0 0 249.270 2.117 20 5 BEBDRN CC[C@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842308089 584891904 /nfs/dbraw/zinc/89/19/04/584891904.db2.gz SWUSNDZLGXESIN-UKKRHICBSA-N 0 0 241.287 2.164 20 5 BEBDRN O=C(OCC(F)F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731547542 584927093 /nfs/dbraw/zinc/92/70/93/584927093.db2.gz NRNKNKNEGSSLIQ-UHFFFAOYSA-N 0 0 249.144 2.156 20 5 BEBDRN O=C(O[C@@H]1C=CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000733385913 584947917 /nfs/dbraw/zinc/94/79/17/584947917.db2.gz RCDACGNVYZCLOF-MRVPVSSYSA-N 0 0 237.211 2.453 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC2CCC1CC2 ZINC000816097304 584976970 /nfs/dbraw/zinc/97/69/70/584976970.db2.gz ZARKNSSUXNHACJ-IDWGSYCQSA-N 0 0 241.287 2.021 20 5 BEBDRN C[C@H](COC(=O)C1CC(C(C)(C)C)C1)[N+](=O)[O-] ZINC000838964330 585082481 /nfs/dbraw/zinc/08/24/81/585082481.db2.gz HQCLMBVIQNMONW-XNWIYYODSA-N 0 0 243.303 2.267 20 5 BEBDRN C/C=C\COC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000743197045 585133973 /nfs/dbraw/zinc/13/39/73/585133973.db2.gz HPFCQPZROURLSZ-IHWYPQMZSA-N 0 0 239.202 2.467 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1C/C(Cl)=C/Cl ZINC000746139753 585163689 /nfs/dbraw/zinc/16/36/89/585163689.db2.gz CGMKEKFKSCWUNN-KXFIGUGUSA-N 0 0 236.058 2.419 20 5 BEBDRN Cc1nonc1CNc1ccc(C)cc1[N+](=O)[O-] ZINC000754061779 585276933 /nfs/dbraw/zinc/27/69/33/585276933.db2.gz RCYFZZGGEADNJO-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1ccc(OC(=O)C2=COCC2)cc1[N+](=O)[O-] ZINC000755368886 585298278 /nfs/dbraw/zinc/29/82/78/585298278.db2.gz FKIWDIPSWASECG-UHFFFAOYSA-N 0 0 249.222 2.113 20 5 BEBDRN CCc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC000839719240 585338218 /nfs/dbraw/zinc/33/82/18/585338218.db2.gz WOBDNDFKYAUUKK-VXGBXAGGSA-N 0 0 248.282 2.161 20 5 BEBDRN COC(C)(C)CN(C)c1ccc([N+](=O)[O-])cc1 ZINC000758485990 585356324 /nfs/dbraw/zinc/35/63/24/585356324.db2.gz LIVWADIMMMQAPF-UHFFFAOYSA-N 0 0 238.287 2.456 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC(=O)c1cocn1 ZINC000760022703 585384500 /nfs/dbraw/zinc/38/45/00/585384500.db2.gz OWBNJNIIIKPSGL-UHFFFAOYSA-N 0 0 248.194 2.110 20 5 BEBDRN C/C=C\COC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000763274117 585445652 /nfs/dbraw/zinc/44/56/52/585445652.db2.gz LJOOYBMQDAUPEV-IHWYPQMZSA-N 0 0 235.239 2.257 20 5 BEBDRN O=C(OCCCF)c1cc([N+](=O)[O-])ccc1F ZINC000767286850 585516238 /nfs/dbraw/zinc/51/62/38/585516238.db2.gz VNLRDXVTVWBHFU-UHFFFAOYSA-N 0 0 245.181 2.250 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(-c2nc(N(C)C)no2)c1 ZINC000769865373 585565637 /nfs/dbraw/zinc/56/56/37/585565637.db2.gz JCIQZRGBWCKUIR-UHFFFAOYSA-N 0 0 248.242 2.019 20 5 BEBDRN CCCCOC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000778143184 585726087 /nfs/dbraw/zinc/72/60/87/585726087.db2.gz KMARQRKDOBKAIH-UHFFFAOYSA-N 0 0 238.243 2.134 20 5 BEBDRN CC[C@H](C)OC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000778144371 585726133 /nfs/dbraw/zinc/72/61/33/585726133.db2.gz ZSSNWFPXIOORGT-ZETCQYMHSA-N 0 0 238.243 2.132 20 5 BEBDRN CCON(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000780662572 585782841 /nfs/dbraw/zinc/78/28/41/585782841.db2.gz PYUYITYQCDKKLM-UHFFFAOYSA-N 0 0 210.233 2.291 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCC2(O)CC2)cc1F ZINC000785455062 585874117 /nfs/dbraw/zinc/87/41/17/585874117.db2.gz RQOCRTZZBSUWKG-UHFFFAOYSA-N 0 0 241.218 2.028 20 5 BEBDRN O=C(OCC1(F)CC1)c1ccccc1[N+](=O)[O-] ZINC000789591233 585944946 /nfs/dbraw/zinc/94/49/46/585944946.db2.gz ODTRUBROJUKIJV-UHFFFAOYSA-N 0 0 239.202 2.254 20 5 BEBDRN O=[N+]([O-])c1ccc(/C=C/Sc2cn[nH]n2)o1 ZINC000789920668 585953197 /nfs/dbraw/zinc/95/31/97/585953197.db2.gz FRRDOIAYSMWWPT-ONEGZZNKSA-N 0 0 238.228 2.069 20 5 BEBDRN O=[N+]([O-])CCN(Cc1cccc(F)c1)C1CC1 ZINC000791054443 585973219 /nfs/dbraw/zinc/97/32/19/585973219.db2.gz VBHDWDUFCIUCJA-UHFFFAOYSA-N 0 0 238.262 2.067 20 5 BEBDRN CC[C@H](NCC[N+](=O)[O-])c1cc(F)ccc1F ZINC000791053863 585973241 /nfs/dbraw/zinc/97/32/41/585973241.db2.gz IKOIUCNMDNYAHH-NSHDSACASA-N 0 0 244.241 2.282 20 5 BEBDRN CC[C@@H](NCC[N+](=O)[O-])c1ccc(F)cc1F ZINC000791055296 585973285 /nfs/dbraw/zinc/97/32/85/585973285.db2.gz RLDJKGNEPXWWLO-LLVKDONJSA-N 0 0 244.241 2.282 20 5 BEBDRN C/C=C\COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000795753826 586091616 /nfs/dbraw/zinc/09/16/16/586091616.db2.gz UPWKHBLLWOHKNA-IHWYPQMZSA-N 0 0 221.212 2.328 20 5 BEBDRN CN(CCF)CCc1ccccc1[N+](=O)[O-] ZINC000796113862 586097662 /nfs/dbraw/zinc/09/76/62/586097662.db2.gz INMJTCYJSOJOHC-UHFFFAOYSA-N 0 0 226.251 2.039 20 5 BEBDRN Cc1c(OC(=O)C(F)F)cccc1[N+](=O)[O-] ZINC000796649017 586109304 /nfs/dbraw/zinc/10/93/04/586109304.db2.gz WDKRKJRBTMZVJI-UHFFFAOYSA-N 0 0 231.154 2.074 20 5 BEBDRN Cc1cc(CNc2ccc(N)cc2[N+](=O)[O-])no1 ZINC000804377395 586394008 /nfs/dbraw/zinc/39/40/08/586394008.db2.gz FIOCVOSWUQDDSR-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC=CCC1 ZINC000804600066 586401935 /nfs/dbraw/zinc/40/19/35/586401935.db2.gz TYEVYCKIEPPLJE-UHFFFAOYSA-N 0 0 249.226 2.269 20 5 BEBDRN CON(C)c1cc(C)c([N+](=O)[O-])cc1F ZINC000812449981 586577370 /nfs/dbraw/zinc/57/73/70/586577370.db2.gz YJMYIUAXISAHNQ-UHFFFAOYSA-N 0 0 214.196 2.040 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC(C3CC3)C2)n1 ZINC000812481937 586578164 /nfs/dbraw/zinc/57/81/64/586578164.db2.gz QXDAQRYKOMIOGC-UHFFFAOYSA-N 0 0 233.271 2.144 20 5 BEBDRN CC(C)OCCONc1ccccc1[N+](=O)[O-] ZINC000812489203 586578240 /nfs/dbraw/zinc/57/82/40/586578240.db2.gz UYOHXHOJKHZBJY-UHFFFAOYSA-N 0 0 240.259 2.363 20 5 BEBDRN Cc1scc(C(=O)OC[C@H](C)[N+](=O)[O-])c1C ZINC000813099884 586591674 /nfs/dbraw/zinc/59/16/74/586591674.db2.gz GAYUHRJYJNILNK-LURJTMIESA-N 0 0 243.284 2.187 20 5 BEBDRN C[C@@H](COC(=O)C[C@H]1CCC[C@H]1C)[N+](=O)[O-] ZINC000813103563 586592525 /nfs/dbraw/zinc/59/25/25/586592525.db2.gz QLSCIIDBZVIOCV-KXUCPTDWSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](COC(=O)c1ccccc1Cl)[N+](=O)[O-] ZINC000813106943 586592791 /nfs/dbraw/zinc/59/27/91/586592791.db2.gz IEXWFVPGDXIOEX-SSDOTTSWSA-N 0 0 243.646 2.162 20 5 BEBDRN C[C@H](COC(=O)c1csc(Cl)c1)[N+](=O)[O-] ZINC000813109343 586593246 /nfs/dbraw/zinc/59/32/46/586593246.db2.gz ITTAUZCUADCUMH-RXMQYKEDSA-N 0 0 249.675 2.224 20 5 BEBDRN C[C@@H](COC(=O)C1=CCCCCC1)[N+](=O)[O-] ZINC000813114045 586594110 /nfs/dbraw/zinc/59/41/10/586594110.db2.gz YAPAQVJSEDOGBB-VIFPVBQESA-N 0 0 227.260 2.085 20 5 BEBDRN C[C@H](COC(=O)c1cccc(Cl)c1)[N+](=O)[O-] ZINC000813114577 586594144 /nfs/dbraw/zinc/59/41/44/586594144.db2.gz DBWAIJLKRKOCPI-SSDOTTSWSA-N 0 0 243.646 2.162 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)c1cccs1 ZINC000814041757 586611783 /nfs/dbraw/zinc/61/17/83/586611783.db2.gz VYDZFWGAZPCPPX-HTQZYQBOSA-N 0 0 243.284 2.060 20 5 BEBDRN Cc1ccc(C)c(C(=O)O[C@@H](C)C[N+](=O)[O-])c1 ZINC000814037613 586611824 /nfs/dbraw/zinc/61/18/24/586611824.db2.gz ZONYCLDDUKDJFW-JTQLQIEISA-N 0 0 237.255 2.125 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1ccccc1Cl ZINC000814036068 586612034 /nfs/dbraw/zinc/61/20/34/586612034.db2.gz GBBZABZAWJORCQ-SSDOTTSWSA-N 0 0 243.646 2.162 20 5 BEBDRN CCC(CC)(CC)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814036871 586612081 /nfs/dbraw/zinc/61/20/81/586612081.db2.gz MOWWRPNGZDQDEE-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC1(C)C ZINC000814037272 586612125 /nfs/dbraw/zinc/61/21/25/586612125.db2.gz VHFGBBFRUJVWPY-DTWKUNHWSA-N 0 0 229.276 2.021 20 5 BEBDRN CCCC[C@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814044849 586612823 /nfs/dbraw/zinc/61/28/23/586612823.db2.gz KEHUXPHDXMBFGY-IUCAKERBSA-N 0 0 217.265 2.021 20 5 BEBDRN C/C(=C\C(=O)O[C@@H](C)C[N+](=O)[O-])C(C)(C)C ZINC000814045226 586612833 /nfs/dbraw/zinc/61/28/33/586612833.db2.gz ZFMUPJUWOGZCON-ORZBULNSSA-N 0 0 229.276 2.187 20 5 BEBDRN CCCCS[C@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814047983 586613199 /nfs/dbraw/zinc/61/31/99/586613199.db2.gz QCULLOYEMWHDPV-DTWKUNHWSA-N 0 0 249.332 2.117 20 5 BEBDRN CC[C@@H](C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819893056 587001041 /nfs/dbraw/zinc/00/10/41/587001041.db2.gz QXNXXVLAWXTYIB-SSDOTTSWSA-N 0 0 237.259 2.162 20 5 BEBDRN Nc1ccc(N[C@@H]2C[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000819961021 587007793 /nfs/dbraw/zinc/00/77/93/587007793.db2.gz MADPMNHOSPRZOJ-DIYOJNKTSA-N 0 0 233.271 2.387 20 5 BEBDRN C[C@@H]1CCC[C@H]1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823128824 587204392 /nfs/dbraw/zinc/20/43/92/587204392.db2.gz IYINYACEYHEDPH-NXEZZACHSA-N 0 0 242.319 2.127 20 5 BEBDRN O=C(OCc1cccc([N+](=O)[O-])c1)C12CC(C1)C2 ZINC000860267813 589091670 /nfs/dbraw/zinc/09/16/70/589091670.db2.gz DBDVACJXSAKKOO-UHFFFAOYSA-N 0 0 247.250 2.438 20 5 BEBDRN CCCC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000825655092 587328896 /nfs/dbraw/zinc/32/88/96/587328896.db2.gz IAZTWEGZLROWFQ-UHFFFAOYSA-N 0 0 236.271 2.320 20 5 BEBDRN O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H]4C[C@@H]43)nc2c1 ZINC000828080556 587418967 /nfs/dbraw/zinc/41/89/67/587418967.db2.gz FPPBVSRYZJJUTE-HQJQHLMTSA-N 0 0 244.254 2.070 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(N2CC3(CC3)C2)c(F)c1 ZINC000828364450 587438403 /nfs/dbraw/zinc/43/84/03/587438403.db2.gz DESQRDGYIMUKPS-UHFFFAOYSA-N 0 0 240.209 2.473 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000828364442 587438519 /nfs/dbraw/zinc/43/85/19/587438519.db2.gz COPXPOACHHFIQA-UHFFFAOYSA-N 0 0 249.226 2.103 20 5 BEBDRN Cc1ccc(N2CC[C@H](F)C2)c([N+](=O)[O-])c1 ZINC000828449898 587443035 /nfs/dbraw/zinc/44/30/35/587443035.db2.gz ZRTDGAQNMREXKY-VIFPVBQESA-N 0 0 224.235 2.451 20 5 BEBDRN CCc1nc(CNc2ccc([N+](=O)[O-])nc2)co1 ZINC000829184209 587486705 /nfs/dbraw/zinc/48/67/05/587486705.db2.gz XFIZXODECGULDS-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CC(C)CCCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829837327 587522042 /nfs/dbraw/zinc/52/20/42/587522042.db2.gz CRHMJUWMSFVTOI-UHFFFAOYSA-N 0 0 242.235 2.136 20 5 BEBDRN O=C(OCc1ccccc1[N+](=O)[O-])C1(F)CC1 ZINC000830750227 587566951 /nfs/dbraw/zinc/56/69/51/587566951.db2.gz XWLLJTYGROOPPD-UHFFFAOYSA-N 0 0 239.202 2.140 20 5 BEBDRN O=C(OCc1ccc([N+](=O)[O-])cc1)C1(F)CC1 ZINC000830765636 587568900 /nfs/dbraw/zinc/56/89/00/587568900.db2.gz SQTMHCJCUVSDGV-UHFFFAOYSA-N 0 0 239.202 2.140 20 5 BEBDRN CC(C)[C@@H](C)OC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835228896 587788964 /nfs/dbraw/zinc/78/89/64/587788964.db2.gz UVOXVECNHWAZPW-SECBINFHSA-N 0 0 231.292 2.410 20 5 BEBDRN CC[C@@H](C)COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835269651 587793589 /nfs/dbraw/zinc/79/35/89/587793589.db2.gz HRQORXRXFFWGOD-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@H](COC(=O)C1(C2CCC2)CCC1)[N+](=O)[O-] ZINC000835455054 587803090 /nfs/dbraw/zinc/80/30/90/587803090.db2.gz MDLUGBSHVIGXIX-SECBINFHSA-N 0 0 241.287 2.165 20 5 BEBDRN CC[C@H](CC(C)C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000835465894 587803681 /nfs/dbraw/zinc/80/36/81/587803681.db2.gz FTPHSHIOEMABPU-NXEZZACHSA-N 0 0 231.292 2.267 20 5 BEBDRN CC[C@@H]1CCC[C@H]1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000835465644 587803744 /nfs/dbraw/zinc/80/37/44/587803744.db2.gz FAYZBLFGTSNIDZ-OPRDCNLKSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H]1CCC[C@@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000840669572 587915776 /nfs/dbraw/zinc/91/57/76/587915776.db2.gz CVFMQJBTHCALQN-LNFKQOIKSA-N 0 0 241.287 2.021 20 5 BEBDRN C[C@H]1CCC[C@H](COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000840669573 587915924 /nfs/dbraw/zinc/91/59/24/587915924.db2.gz CVFMQJBTHCALQN-UKKRHICBSA-N 0 0 241.287 2.021 20 5 BEBDRN C[C@@H]1CCC[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1C ZINC000841173404 587948321 /nfs/dbraw/zinc/94/83/21/587948321.db2.gz WLUYSTUHNJJLLA-ILAIQSSSSA-N 0 0 241.287 2.020 20 5 BEBDRN CC1(C)CCC[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000841253301 587950011 /nfs/dbraw/zinc/95/00/11/587950011.db2.gz GETYGDNMQWDIGV-OPRDCNLKSA-N 0 0 241.287 2.164 20 5 BEBDRN CC1(C)CCC[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000841253299 587950063 /nfs/dbraw/zinc/95/00/63/587950063.db2.gz GETYGDNMQWDIGV-IVZWLZJFSA-N 0 0 241.287 2.164 20 5 BEBDRN CCC[C@H](C)[C@H](C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842341114 588019154 /nfs/dbraw/zinc/01/91/54/588019154.db2.gz WVNPCZKLUPDCFP-AXTSPUMRSA-N 0 0 229.276 2.020 20 5 BEBDRN C[C@@H]1CC[C@@H](C)[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842373868 588022567 /nfs/dbraw/zinc/02/25/67/588022567.db2.gz HCBZRDKMZUJXCS-ILAIQSSSSA-N 0 0 241.287 2.020 20 5 BEBDRN CCC[C@H](C)c1noc([C@@H]2CC2[N+](=O)[O-])n1 ZINC000842490046 588030198 /nfs/dbraw/zinc/03/01/98/588030198.db2.gz IQDQTIXIWFYCRK-XLPZGREQSA-N 0 0 225.248 2.106 20 5 BEBDRN CCCCCCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000842638839 588047636 /nfs/dbraw/zinc/04/76/36/588047636.db2.gz ODZVDEAJTKFDOZ-UHFFFAOYSA-N 0 0 242.250 2.476 20 5 BEBDRN Cc1c(NC(=O)C2(F)CC2)cccc1[N+](=O)[O-] ZINC000843524223 588119407 /nfs/dbraw/zinc/11/94/07/588119407.db2.gz ZQHDTHOTDUVFFY-UHFFFAOYSA-N 0 0 238.218 2.344 20 5 BEBDRN C[C@H](COC(=O)[C@@H]1C[C@H]1C1CCCC1)[N+](=O)[O-] ZINC000845577040 588233934 /nfs/dbraw/zinc/23/39/34/588233934.db2.gz QZEHHZNCJXAMLY-DVVUODLYSA-N 0 0 241.287 2.021 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC000845755730 588243859 /nfs/dbraw/zinc/24/38/59/588243859.db2.gz XVWGWRLGMFVUSQ-OLQVQODUSA-N 0 0 246.238 2.358 20 5 BEBDRN O=[N+]([O-])C1C[C@H]1c1nc([C@@H]2CCC[C@H]3C[C@H]32)no1 ZINC000848621768 588402143 /nfs/dbraw/zinc/40/21/43/588402143.db2.gz ZMKOUXFRWFWFKZ-VAPHQMJDSA-N 0 0 249.270 2.106 20 5 BEBDRN C[C@@H]1CCCC[C@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000849807876 588502202 /nfs/dbraw/zinc/50/22/02/588502202.db2.gz VYSMASTWXXDRSI-LMLFDSFASA-N 0 0 241.287 2.021 20 5 BEBDRN O=[N+]([O-])c1cc(OCC2CC2)cc([N+](=O)[O-])c1 ZINC000849956431 588510772 /nfs/dbraw/zinc/51/07/72/588510772.db2.gz LMMXLWUQJYZFEW-UHFFFAOYSA-N 0 0 238.199 2.292 20 5 BEBDRN CC(C)(COC(=O)C1C(C)(C)C1(C)C)[N+](=O)[O-] ZINC000851125328 588592226 /nfs/dbraw/zinc/59/22/26/588592226.db2.gz BXIGHMYJDDGYEH-UHFFFAOYSA-N 0 0 243.303 2.267 20 5 BEBDRN CC(C)(COC(=O)[C@H]1CCC(C)(C)C1)[N+](=O)[O-] ZINC000851126692 588592600 /nfs/dbraw/zinc/59/26/00/588592600.db2.gz GUTJOZRATLETFX-VIFPVBQESA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@H](C)[C@@H](C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127717 588592722 /nfs/dbraw/zinc/59/27/22/588592722.db2.gz UALQBASSDJCOOW-DTWKUNHWSA-N 0 0 231.292 2.267 20 5 BEBDRN CC(C)(COC(=O)C1CC2(CCC2)C1)[N+](=O)[O-] ZINC000851129240 588592890 /nfs/dbraw/zinc/59/28/90/588592890.db2.gz GICJSDBCUWRBSI-UHFFFAOYSA-N 0 0 241.287 2.165 20 5 BEBDRN C[C@@H]1CCC[C@]1(C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851129229 588592898 /nfs/dbraw/zinc/59/28/98/588592898.db2.gz KVHMMWCVJIKVEY-SKDRFNHKSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@@H]1CCC[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851129269 588593097 /nfs/dbraw/zinc/59/30/97/588593097.db2.gz LULQBKDHXOBCGC-NXEZZACHSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)[C@@]1(C)C[C@@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128424 588593120 /nfs/dbraw/zinc/59/31/20/588593120.db2.gz WFYJRXNDPWFGRM-BXKDBHETSA-N 0 0 243.303 2.267 20 5 BEBDRN CCC[C@@H]1C[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851129050 588593137 /nfs/dbraw/zinc/59/31/37/588593137.db2.gz GPFFDBWKWPRXND-RKDXNWHRSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H]1CCC[C@@]1(C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851129224 588593146 /nfs/dbraw/zinc/59/31/46/588593146.db2.gz KVHMMWCVJIKVEY-BXKDBHETSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)(COC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)[N+](=O)[O-] ZINC000851129929 588593284 /nfs/dbraw/zinc/59/32/84/588593284.db2.gz MYMOZGSGRPFJCB-BBBLOLIVSA-N 0 0 241.287 2.021 20 5 BEBDRN CC(C)(COC(=O)/C=C/C1CCCC1)[N+](=O)[O-] ZINC000851129932 588593297 /nfs/dbraw/zinc/59/32/97/588593297.db2.gz NBHFOBWGIZZCQG-BQYQJAHWSA-N 0 0 241.287 2.331 20 5 BEBDRN C[C@H]1CCCC[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851129998 588593336 /nfs/dbraw/zinc/59/33/36/588593336.db2.gz TXHYDTMNPBMMJI-VHSXEESVSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)(COC(=O)[C@@H]1CCCC12CC2)[N+](=O)[O-] ZINC000860867713 589125019 /nfs/dbraw/zinc/12/50/19/589125019.db2.gz LPFAFVRBLXGOST-VIFPVBQESA-N 0 0 241.287 2.165 20 5 BEBDRN CC(C)CCCCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000860894759 589126586 /nfs/dbraw/zinc/12/65/86/589126586.db2.gz HMDGPYVRWQEIBX-NXEZZACHSA-N 0 0 229.276 2.021 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])c1cc2ccccc2o1 ZINC000860912797 589131278 /nfs/dbraw/zinc/13/12/78/589131278.db2.gz XLXPQGLYGAWKGJ-UHFFFAOYSA-N 0 0 249.222 2.256 20 5 BEBDRN Cc1cc(C(=O)OCCC[N+](=O)[O-])sc1C ZINC000860912299 589131292 /nfs/dbraw/zinc/13/12/92/589131292.db2.gz KRVBHZZSENSRJG-UHFFFAOYSA-N 0 0 243.284 2.189 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])c1coc2ccccc12 ZINC000860915714 589131520 /nfs/dbraw/zinc/13/15/20/589131520.db2.gz WGTBJDAILMEJPD-UHFFFAOYSA-N 0 0 249.222 2.256 20 5 BEBDRN C[C@@H]1CCC[C@@H](CC(=O)OCCC[N+](=O)[O-])C1 ZINC000860915832 589131590 /nfs/dbraw/zinc/13/15/90/589131590.db2.gz JPUVJOQUQGTEAB-GHMZBOCLSA-N 0 0 243.303 2.413 20 5 BEBDRN C/C(=C/C(=O)OCCC[N+](=O)[O-])c1ccccc1 ZINC000860916561 589131702 /nfs/dbraw/zinc/13/17/02/589131702.db2.gz UODKGONOCFMCMJ-KHPPLWFESA-N 0 0 249.266 2.300 20 5 BEBDRN Cc1scc(C(=O)OCCC[N+](=O)[O-])c1C ZINC000860917610 589131909 /nfs/dbraw/zinc/13/19/09/589131909.db2.gz PENSOHVHBWQUBK-UHFFFAOYSA-N 0 0 243.284 2.189 20 5 BEBDRN CCCC1(C(=O)OCCC[N+](=O)[O-])CCC1 ZINC000860917830 589131927 /nfs/dbraw/zinc/13/19/27/589131927.db2.gz RIFBQBNWWZMSIG-UHFFFAOYSA-N 0 0 229.276 2.167 20 5 BEBDRN C[C@H]1CCCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860918950 589132206 /nfs/dbraw/zinc/13/22/06/589132206.db2.gz ILRKHPRLSVRSPC-UWVGGRQHSA-N 0 0 229.276 2.023 20 5 BEBDRN CC1(C)CC=C(C(=O)OCCC[N+](=O)[O-])CC1 ZINC000860919656 589132307 /nfs/dbraw/zinc/13/23/07/589132307.db2.gz UDPPCVLXOUGBDU-UHFFFAOYSA-N 0 0 241.287 2.333 20 5 BEBDRN CC(C)(C)C[C@@H]1C[C@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860918630 589132335 /nfs/dbraw/zinc/13/23/35/589132335.db2.gz BDXSXRGDQDQVAR-VHSXEESVSA-N 0 0 243.303 2.269 20 5 BEBDRN CC1(C)CCCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860921263 589132432 /nfs/dbraw/zinc/13/24/32/589132432.db2.gz SBAPRHIVEUJOSE-SNVBAGLBSA-N 0 0 243.303 2.413 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])c1cccc(C2CC2)c1 ZINC000860922048 589132762 /nfs/dbraw/zinc/13/27/62/589132762.db2.gz FTAINJKRFQGELA-UHFFFAOYSA-N 0 0 249.266 2.388 20 5 BEBDRN CC(=O)Oc1cc([N+](=O)[O-])c(Cl)cc1C ZINC000118295842 589166638 /nfs/dbraw/zinc/16/66/38/589166638.db2.gz AOWKNHFLOORODA-UHFFFAOYSA-N 0 0 229.619 2.482 20 5 BEBDRN CCCOCSc1ccc([N+](=O)[O-])cn1 ZINC000863314049 589278536 /nfs/dbraw/zinc/27/85/36/589278536.db2.gz XURHTKWMRMYZSY-UHFFFAOYSA-N 0 0 228.273 2.466 20 5 BEBDRN CCCOCOc1c(F)cccc1[N+](=O)[O-] ZINC000863323595 589280022 /nfs/dbraw/zinc/28/00/22/589280022.db2.gz PZVMFWTYQKLTOP-UHFFFAOYSA-N 0 0 229.207 2.497 20 5 BEBDRN CCCOCOc1cc(OC)ccc1[N+](=O)[O-] ZINC000863348308 589281942 /nfs/dbraw/zinc/28/19/42/589281942.db2.gz DNEFFJAUVZQEAP-UHFFFAOYSA-N 0 0 241.243 2.366 20 5 BEBDRN O=[N+]([O-])c1cnn(CCC2=CCCCC2)n1 ZINC000863370844 589284471 /nfs/dbraw/zinc/28/44/71/589284471.db2.gz HJGRTOXCCIPORA-UHFFFAOYSA-N 0 0 222.248 2.077 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1[C@@H](C)C(=O)C(C)(C)C ZINC000865353362 589424520 /nfs/dbraw/zinc/42/45/20/589424520.db2.gz YJYUNVNDQYCVOO-ZETCQYMHSA-N 0 0 239.275 2.276 20 5 BEBDRN Cc1nn([C@H](C)C(=O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000865367880 589427279 /nfs/dbraw/zinc/42/72/79/589427279.db2.gz JCNGBYYDJZYAIZ-MRVPVSSYSA-N 0 0 239.275 2.276 20 5 BEBDRN CC(C)CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865400384 589432300 /nfs/dbraw/zinc/43/23/00/589432300.db2.gz BIIHXUFOKCMXIU-UHFFFAOYSA-N 0 0 242.250 2.294 20 5 BEBDRN COc1cc(F)c([N+](=O)[O-])c(N(C)CCF)c1 ZINC000865839676 589464283 /nfs/dbraw/zinc/46/42/83/589464283.db2.gz PWEJZCVVYSRKSV-UHFFFAOYSA-N 0 0 246.213 2.148 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1CCC=C(Cl)C1 ZINC000865905450 589467933 /nfs/dbraw/zinc/46/79/33/589467933.db2.gz KIKQFHQHDFBYFA-UHFFFAOYSA-N 0 0 239.662 2.323 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000866162249 589478381 /nfs/dbraw/zinc/47/83/81/589478381.db2.gz RCHQEOGGZOVYHC-PHIMTYICSA-N 0 0 245.282 2.392 20 5 BEBDRN O=[N+]([O-])c1cn(CCc2cccs2)cn1 ZINC000121199184 589514623 /nfs/dbraw/zinc/51/46/23/589514623.db2.gz XZQMGSQXGVZROH-UHFFFAOYSA-N 0 0 223.257 2.096 20 5 BEBDRN C/C=C/C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000869355072 589600708 /nfs/dbraw/zinc/60/07/08/589600708.db2.gz BYJARRXGTHXIDN-NSCUHMNNSA-N 0 0 232.239 2.060 20 5 BEBDRN Cc1cc(C)c(C(=O)O[C@@H](C)C[N+](=O)[O-])s1 ZINC000870386599 589661832 /nfs/dbraw/zinc/66/18/32/589661832.db2.gz GKWKFUVGVUTMND-ZETCQYMHSA-N 0 0 243.284 2.187 20 5 BEBDRN CCC[C@@H](CC)C(=O)OCCC[N+](=O)[O-] ZINC000873548060 590055695 /nfs/dbraw/zinc/05/56/95/590055695.db2.gz ROCGELNMDSHLEJ-SECBINFHSA-N 0 0 217.265 2.023 20 5 BEBDRN O=[N+]([O-])c1ccc(CCNC(CF)CF)cc1 ZINC000877555954 590356679 /nfs/dbraw/zinc/35/66/79/590356679.db2.gz HSCKKYNCMSAEJK-UHFFFAOYSA-N 0 0 244.241 2.035 20 5 BEBDRN O=[N+]([O-])c1ccccc1OCCOC1CC1 ZINC000877874142 590434680 /nfs/dbraw/zinc/43/46/80/590434680.db2.gz HOANYHPWWGYCFT-UHFFFAOYSA-N 0 0 223.228 2.153 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1OCCOC1CC1 ZINC000877876622 590435298 /nfs/dbraw/zinc/43/52/98/590435298.db2.gz WMTGSUVRRSTZJS-UHFFFAOYSA-N 0 0 241.218 2.292 20 5 BEBDRN C=C/C=C/CCn1cc([N+](=O)[O-])c(C)n1 ZINC000877881464 590437462 /nfs/dbraw/zinc/43/74/62/590437462.db2.gz SFUMNPIJBIAYFA-SNAWJCMRSA-N 0 0 207.233 2.232 20 5 BEBDRN C=C/C=C/CCn1cc(C)c([N+](=O)[O-])n1 ZINC000877881538 590437603 /nfs/dbraw/zinc/43/76/03/590437603.db2.gz KIFKSKKKWJTIQS-SNAWJCMRSA-N 0 0 207.233 2.232 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCCOC2CC2)c1 ZINC000877888230 590439469 /nfs/dbraw/zinc/43/94/69/590439469.db2.gz NXXVSMAAQITWLD-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN O=[N+]([O-])c1cn(CCSC(F)(F)F)cn1 ZINC000877887777 590439608 /nfs/dbraw/zinc/43/96/08/590439608.db2.gz TYOFUZIPKVXFNG-UHFFFAOYSA-N 0 0 241.194 2.044 20 5 BEBDRN O=C(NC[C@H]1C=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000881489645 591214799 /nfs/dbraw/zinc/21/47/99/591214799.db2.gz BQOPKIQZRXDTGF-JTQLQIEISA-N 0 0 246.266 2.291 20 5 BEBDRN C[C@@H]1CC[C@H]1Nc1ccnc(F)c1[N+](=O)[O-] ZINC000882361230 591338181 /nfs/dbraw/zinc/33/81/81/591338181.db2.gz YHACAMBWFHSTEV-RNFRBKRXSA-N 0 0 225.223 2.339 20 5 BEBDRN CC(C)(F)CNc1ccnc(F)c1[N+](=O)[O-] ZINC000882675853 591405715 /nfs/dbraw/zinc/40/57/15/591405715.db2.gz YGTCEDXQJMWMHW-UHFFFAOYSA-N 0 0 231.202 2.289 20 5 BEBDRN C[C@H](O)CSc1sccc1[N+](=O)[O-] ZINC000882737882 591424960 /nfs/dbraw/zinc/42/49/60/591424960.db2.gz AMGIRWLOTOANST-YFKPBYRVSA-N 0 0 219.287 2.129 20 5 BEBDRN C[C@H](O)CSc1c(Cl)cncc1[N+](=O)[O-] ZINC000882738501 591425296 /nfs/dbraw/zinc/42/52/96/591425296.db2.gz XGMSOQLATHLHNK-YFKPBYRVSA-N 0 0 248.691 2.116 20 5 BEBDRN C[C@H](O)CSc1ncc(Cl)cc1[N+](=O)[O-] ZINC000882738393 591425655 /nfs/dbraw/zinc/42/56/55/591425655.db2.gz SIMCCNSSBGWQPF-YFKPBYRVSA-N 0 0 248.691 2.116 20 5 BEBDRN Nc1ccc(N2CCC(F)CC2)c([N+](=O)[O-])c1 ZINC000882805798 591444717 /nfs/dbraw/zinc/44/47/17/591444717.db2.gz WCXREEACAFTXBM-UHFFFAOYSA-N 0 0 239.250 2.115 20 5 BEBDRN Cc1nc(N2CC[C@@H](CF)C2)ccc1[N+](=O)[O-] ZINC000882839768 591451217 /nfs/dbraw/zinc/45/12/17/591451217.db2.gz ATWJSWURMYDTMX-VIFPVBQESA-N 0 0 239.250 2.094 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1CC[C@@H](CF)C1 ZINC000882841591 591452223 /nfs/dbraw/zinc/45/22/23/591452223.db2.gz ZVAYZVNAPBQSHS-ZETCQYMHSA-N 0 0 230.264 2.452 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H](CF)C2)s1 ZINC000882842011 591452568 /nfs/dbraw/zinc/45/25/68/591452568.db2.gz KOJUPLMQEUZPDL-SSDOTTSWSA-N 0 0 230.264 2.452 20 5 BEBDRN C[C@@H](O)CCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134056015 591879537 /nfs/dbraw/zinc/87/95/37/591879537.db2.gz RTMUCMXVHKQKKX-SSDOTTSWSA-N 0 0 245.662 2.398 20 5 BEBDRN O=[N+]([O-])c1ccc(OCc2ncccn2)cc1F ZINC000134149255 591893281 /nfs/dbraw/zinc/89/32/81/591893281.db2.gz KWSBWHMBMTUQNM-UHFFFAOYSA-N 0 0 249.201 2.103 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1OCc1ncccn1 ZINC000134190940 591899109 /nfs/dbraw/zinc/89/91/09/591899109.db2.gz RMEGJVPBFUCQDS-UHFFFAOYSA-N 0 0 249.201 2.103 20 5 BEBDRN COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[C@@H]2C1 ZINC000884588809 591988588 /nfs/dbraw/zinc/98/85/88/591988588.db2.gz NWYQEUNJCDOPLQ-AOOOYVTPSA-N 0 0 248.282 2.197 20 5 BEBDRN CN(Cc1ccco1)Cc1cccnc1[N+](=O)[O-] ZINC000885933085 592109582 /nfs/dbraw/zinc/10/95/82/592109582.db2.gz JBQGHRPEIDOMLI-UHFFFAOYSA-N 0 0 247.254 2.215 20 5 BEBDRN CN(Cc1ccc([N+](=O)[O-])c(F)c1)CC(F)F ZINC000136824683 592151067 /nfs/dbraw/zinc/15/10/67/592151067.db2.gz CVJQJIIKTPVARY-UHFFFAOYSA-N 0 0 248.204 2.431 20 5 BEBDRN Cc1noc(NCc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000181518786 592705423 /nfs/dbraw/zinc/70/54/23/592705423.db2.gz NQTCTAAKQHFIIM-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CCCCCCn1cc([N+](=O)[O-])ccc1=O ZINC000060815586 631528285 /nfs/dbraw/zinc/52/82/85/631528285.db2.gz KAMXIKOIUHRQCS-UHFFFAOYSA-N 0 0 224.260 2.337 20 5 BEBDRN O=[N+]([O-])c1ccc(CNCCF)c(Cl)c1 ZINC000308806454 631667976 /nfs/dbraw/zinc/66/79/76/631667976.db2.gz OQQSHPQYYBUFCS-UHFFFAOYSA-N 0 0 232.642 2.307 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2ccon2)s1 ZINC000308906110 631722226 /nfs/dbraw/zinc/72/22/26/631722226.db2.gz NVWCLVOTGRYRCY-UHFFFAOYSA-N 0 0 225.229 2.256 20 5 BEBDRN C[C@@H](O)COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000309089581 631875953 /nfs/dbraw/zinc/87/59/53/631875953.db2.gz CUZYBSIVBXAYMH-ZCFIWIBFSA-N 0 0 231.635 2.008 20 5 BEBDRN C[C@@H](CO)Nc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000235134788 632038287 /nfs/dbraw/zinc/03/82/87/632038287.db2.gz ALEPNCYIQZGEOE-YFKPBYRVSA-N 0 0 248.641 2.180 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000066275673 632865794 /nfs/dbraw/zinc/86/57/94/632865794.db2.gz HNBBINZHHHEZLB-KCJUWKMLSA-N 0 0 235.239 2.294 20 5 BEBDRN CC[C@H](C)CCNc1c([N+](=O)[O-])cnn1C ZINC000894520975 635903277 /nfs/dbraw/zinc/90/32/77/635903277.db2.gz RMBKKGAIYOJKRF-QMMMGPOBSA-N 0 0 226.280 2.176 20 5 BEBDRN CCOCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000067009860 635466629 /nfs/dbraw/zinc/46/66/29/635466629.db2.gz XVZJTURFNHDGLV-UHFFFAOYSA-N 0 0 229.207 2.149 20 5 BEBDRN Cc1cc(N[C@H]2C[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000896689571 636214225 /nfs/dbraw/zinc/21/42/25/636214225.db2.gz GUFQKZXUXTUQJO-HOMQSWHASA-N 0 0 236.271 2.086 20 5 BEBDRN O=[N+]([O-])c1cccc(NC(=S)NC2CC2)c1 ZINC000007522789 636267806 /nfs/dbraw/zinc/26/78/06/636267806.db2.gz AHNKMQNEUIOGMF-UHFFFAOYSA-N 0 0 237.284 2.044 20 5 BEBDRN C[C@H]1C[C@H]1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000729088394 636601668 /nfs/dbraw/zinc/60/16/68/636601668.db2.gz RIGMRAGOLBVAPH-BQBZGAKWSA-N 0 0 225.200 2.001 20 5 BEBDRN O=[N+]([O-])CCNc1cccc(N2CCCCC2)c1 ZINC000905313502 637742216 /nfs/dbraw/zinc/74/22/16/637742216.db2.gz LHAFUOAPANNKCA-UHFFFAOYSA-N 0 0 249.314 2.366 20 5 BEBDRN Cc1ccc(NCC[N+](=O)[O-])cc1OC(F)F ZINC000905321305 637747726 /nfs/dbraw/zinc/74/77/26/637747726.db2.gz KUBXKKHEXVMJFQ-UHFFFAOYSA-N 0 0 246.213 2.285 20 5 BEBDRN COc1c(C)ccc(NCC[N+](=O)[O-])c1C ZINC000905303510 637762133 /nfs/dbraw/zinc/76/21/33/637762133.db2.gz KUYDNLIVRNEGPI-UHFFFAOYSA-N 0 0 224.260 2.001 20 5 BEBDRN CC(C)c1cccc(NCC[N+](=O)[O-])c1 ZINC000905301851 637762319 /nfs/dbraw/zinc/76/23/19/637762319.db2.gz WMYYEVCRWZSPDF-UHFFFAOYSA-N 0 0 208.261 2.499 20 5 BEBDRN CC(C)COc1ccccc1NCC[N+](=O)[O-] ZINC000905309713 637766368 /nfs/dbraw/zinc/76/63/68/637766368.db2.gz XZVASDWUTCLBQL-UHFFFAOYSA-N 0 0 238.287 2.410 20 5 BEBDRN COC(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000907456298 638388151 /nfs/dbraw/zinc/38/81/51/638388151.db2.gz INFQBCMPVZZPBY-QMMMGPOBSA-N 0 0 238.243 2.054 20 5 BEBDRN CCc1ccc(C(=O)N2CC=CC2)cc1[N+](=O)[O-] ZINC000910010914 639327836 /nfs/dbraw/zinc/32/78/36/639327836.db2.gz ZLCHKGULFSSTED-UHFFFAOYSA-N 0 0 246.266 2.169 20 5 BEBDRN CC(C)c1cccc2c1CCN(CC[N+](=O)[O-])C2 ZINC000930256747 639667953 /nfs/dbraw/zinc/66/79/53/639667953.db2.gz YUACYFKNDMOUHX-UHFFFAOYSA-N 0 0 248.326 2.445 20 5 BEBDRN O=C(OCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000060512575 640865011 /nfs/dbraw/zinc/86/50/11/640865011.db2.gz MSZRAAOKSCPMLD-UHFFFAOYSA-N 0 0 221.212 2.162 20 5 BEBDRN O=C(OCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000060512576 640865259 /nfs/dbraw/zinc/86/52/59/640865259.db2.gz MAXMFLRJJBVVGU-UHFFFAOYSA-N 0 0 221.212 2.162 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)OCCF)c1 ZINC000174367752 641272780 /nfs/dbraw/zinc/27/27/80/641272780.db2.gz QNSJNYVUJMIFKA-UHFFFAOYSA-N 0 0 227.191 2.030 20 5 BEBDRN C/C=C\C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000211361991 641478578 /nfs/dbraw/zinc/47/85/78/641478578.db2.gz STNMGZTUPXCSFY-ARJAWSKDSA-N 0 0 220.228 2.418 20 5 BEBDRN O=C(NCCC1CC=CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000831450094 641593963 /nfs/dbraw/zinc/59/39/63/641593963.db2.gz UKZLPVKBUDQMIF-UHFFFAOYSA-N 0 0 249.270 2.009 20 5 BEBDRN C[C@@H]1CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000914164306 641599632 /nfs/dbraw/zinc/59/96/32/641599632.db2.gz CHGMTIPQCMYCQO-ISGFRBBESA-N 0 0 246.266 2.229 20 5 BEBDRN CC(F)(F)CCCn1cc([N+](=O)[O-])ccc1=O ZINC000915568771 641838900 /nfs/dbraw/zinc/83/89/00/641838900.db2.gz QPTWEOQYPCFUPQ-UHFFFAOYSA-N 0 0 246.213 2.192 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1OCc1ccon1 ZINC000078378883 641918255 /nfs/dbraw/zinc/91/82/55/641918255.db2.gz NYTNNWHSSCNHAH-UHFFFAOYSA-N 0 0 238.174 2.301 20 5 BEBDRN CC(C)=CCOC(=O)c1ccc([N+](=O)[O-])o1 ZINC000916608232 641957210 /nfs/dbraw/zinc/95/72/10/641957210.db2.gz IGPVDBGIWXWIKA-UHFFFAOYSA-N 0 0 225.200 2.311 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCc1cccc(F)c1 ZINC000916772563 641976631 /nfs/dbraw/zinc/97/66/31/641976631.db2.gz GHDICJAZJLIDSL-UHFFFAOYSA-N 0 0 249.245 2.482 20 5 BEBDRN Cc1cccc(OCCn2ccnc2[N+](=O)[O-])c1 ZINC000918342952 642186300 /nfs/dbraw/zinc/18/63/00/642186300.db2.gz HOZXESPDEKYCPC-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN Cc1ccccc1OCCn1ccnc1[N+](=O)[O-] ZINC000918343473 642189336 /nfs/dbraw/zinc/18/93/36/642189336.db2.gz QJPVQSMOVLLTMI-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN CO[C@@H](Cn1ccnc1[N+](=O)[O-])c1ccccc1 ZINC000918377764 642191366 /nfs/dbraw/zinc/19/13/66/642191366.db2.gz KKKIIXAHYUYMHX-NSHDSACASA-N 0 0 247.254 2.179 20 5 BEBDRN O=[N+]([O-])c1nccn1CCC(F)(F)Cl ZINC000918385411 642194389 /nfs/dbraw/zinc/19/43/89/642194389.db2.gz CECVKULIQOCCAY-UHFFFAOYSA-N 0 0 225.582 2.013 20 5 BEBDRN CC(C)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000918851665 642277365 /nfs/dbraw/zinc/27/73/65/642277365.db2.gz CZLWALDNXFGGCU-UHFFFAOYSA-N 0 0 229.257 2.356 20 5 BEBDRN CCCONC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000033726862 642325150 /nfs/dbraw/zinc/32/51/50/642325150.db2.gz FDKFKFIFTPZNNS-UHFFFAOYSA-N 0 0 239.231 2.058 20 5 BEBDRN C/C=C\COC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000919668274 642368633 /nfs/dbraw/zinc/36/86/33/642368633.db2.gz VVWDNCFQECMHIP-IHWYPQMZSA-N 0 0 235.239 2.257 20 5 BEBDRN O=[N+]([O-])c1ncccc1Oc1nccs1 ZINC000920963736 642566512 /nfs/dbraw/zinc/56/65/12/642566512.db2.gz LGNKCWNAWWLHBT-UHFFFAOYSA-N 0 0 223.213 2.239 20 5 BEBDRN O=Cc1c[nH]nc1C=Cc1csc([N+](=O)[O-])c1 ZINC000098125629 642676221 /nfs/dbraw/zinc/67/62/21/642676221.db2.gz JARXQVMXHYLXRM-OWOJBTEDSA-N 0 0 249.251 2.362 20 5 BEBDRN CC(C)[C@H](O)COc1ccc([N+](=O)[O-])cc1F ZINC000305999153 642716598 /nfs/dbraw/zinc/71/65/98/642716598.db2.gz KOEPYKHLSNCHCV-SNVBAGLBSA-N 0 0 243.234 2.130 20 5 BEBDRN C[C@H]1C[C@@H]1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000067902270 642718799 /nfs/dbraw/zinc/71/87/99/642718799.db2.gz SHGRKALCECIQTG-DTWKUNHWSA-N 0 0 235.239 2.408 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CCOC1 ZINC000070966100 643595380 /nfs/dbraw/zinc/59/53/80/643595380.db2.gz UBTKQHVNEZDIMU-MRVPVSSYSA-N 0 0 242.662 2.449 20 5 BEBDRN CC1(C(=O)Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000155861497 644099127 /nfs/dbraw/zinc/09/91/27/644099127.db2.gz KDSSFDARMFSRQE-UHFFFAOYSA-N 0 0 221.212 2.300 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC(=O)[C@H]1C[C@H]1C ZINC000079209204 644161831 /nfs/dbraw/zinc/16/18/31/644161831.db2.gz SCZZJMRYUSBFGU-SCZZXKLOSA-N 0 0 235.239 2.465 20 5 BEBDRN C[C@H](NCCc1ccc([N+](=O)[O-])cc1)C(F)F ZINC000228508895 644163107 /nfs/dbraw/zinc/16/31/07/644163107.db2.gz WKQSPXTYXCNEGI-QMMMGPOBSA-N 0 0 244.241 2.381 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000193997447 644292144 /nfs/dbraw/zinc/29/21/44/644292144.db2.gz RIRLBJDLZPHLJR-SKDRFNHKSA-N 0 0 249.266 2.337 20 5 BEBDRN CCOCOc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000790290404 644789149 /nfs/dbraw/zinc/78/91/49/644789149.db2.gz JAMGDJQQNRASTQ-UHFFFAOYSA-N 0 0 241.243 2.366 20 5 BEBDRN CC(F)(F)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000814687448 644944222 /nfs/dbraw/zinc/94/42/22/644944222.db2.gz JGFRQBALZBPUGL-UHFFFAOYSA-N 0 0 230.170 2.189 20 5 BEBDRN O=C(OCCCF)Oc1ccccc1[N+](=O)[O-] ZINC000841475388 645213014 /nfs/dbraw/zinc/21/30/14/645213014.db2.gz VAAWQKJMHIAARN-UHFFFAOYSA-N 0 0 243.190 2.470 20 5 BEBDRN O=[N+]([O-])C1C[C@H]1c1nc(-c2cccc(F)c2)no1 ZINC000841736110 645228995 /nfs/dbraw/zinc/22/89/95/645228995.db2.gz BMCXKCJLASBJCF-RKDXNWHRSA-N 0 0 249.201 2.008 20 5 BEBDRN C/C=C\C(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000928246570 645720534 /nfs/dbraw/zinc/72/05/34/645720534.db2.gz HSPFMYXVKGYNJX-ZBJFTSOASA-N 0 0 234.255 2.348 20 5 BEBDRN CC(C)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929087622 645934011 /nfs/dbraw/zinc/93/40/11/645934011.db2.gz CNWQVHZDWIXNMK-RYUDHWBXSA-N 0 0 248.282 2.223 20 5 BEBDRN C[C@@H](NC(=O)N1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000925225344 646214393 /nfs/dbraw/zinc/21/43/93/646214393.db2.gz QVOAPWAMYJKDFB-SECBINFHSA-N 0 0 249.270 2.071 20 5 BEBDRN CCN(C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000930029686 646403033 /nfs/dbraw/zinc/40/30/33/646403033.db2.gz XMVCIVCDMLDOJA-RYUDHWBXSA-N 0 0 248.282 2.177 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2CCOC2)cc1Cl ZINC000087543414 711837358 /nfs/dbraw/zinc/83/73/58/711837358.db2.gz IJNPHHOKTUYGHB-MRVPVSSYSA-N 0 0 243.646 2.416 20 5 BEBDRN O=[N+]([O-])c1ncccc1N[C@@H]1CC12CCC2 ZINC000721224574 712899624 /nfs/dbraw/zinc/89/96/24/712899624.db2.gz CWGUJPUBLWTUDS-SECBINFHSA-N 0 0 219.244 2.344 20 5 BEBDRN C[C@@H]1C[C@H]1COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000722673491 711463490 /nfs/dbraw/zinc/46/34/90/711463490.db2.gz IGDXGNJVOCMZII-SCZZXKLOSA-N 0 0 235.239 2.442 20 5 BEBDRN Cc1c(OC(=O)[C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000076609278 711482976 /nfs/dbraw/zinc/48/29/76/711482976.db2.gz ZLRUKZZVRIINKV-APPZFPTMSA-N 0 0 235.239 2.465 20 5 BEBDRN Cc1ccc(N[C@@H]2CC23CC(O)C3)c([N+](=O)[O-])c1 ZINC000724989442 711641121 /nfs/dbraw/zinc/64/11/21/711641121.db2.gz DKZHLUYWXILMSZ-BKDHPRRPSA-N 0 0 248.282 2.229 20 5 BEBDRN C[C@@H](NCc1ccon1)c1ccc([N+](=O)[O-])cc1 ZINC000094259812 711748399 /nfs/dbraw/zinc/74/83/99/711748399.db2.gz MJMHXNVMRSOWJZ-SECBINFHSA-N 0 0 247.254 2.434 20 5 BEBDRN COCCNc1c(C)c([N+](=O)[O-])ccc1F ZINC000905106823 711812504 /nfs/dbraw/zinc/81/25/04/711812504.db2.gz PQKJPVROLWGWOL-UHFFFAOYSA-N 0 0 228.223 2.101 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000060834912 711835934 /nfs/dbraw/zinc/83/59/34/711835934.db2.gz RIRLBJDLZPHLJR-JOYOIKCWSA-N 0 0 249.266 2.337 20 5 BEBDRN O=[N+]([O-])c1ncccc1NC[C@H]1C=CCC1 ZINC000711681199 712316814 /nfs/dbraw/zinc/31/68/14/712316814.db2.gz URFKUTOIDVBLML-VIFPVBQESA-N 0 0 219.244 2.368 20 5 BEBDRN COC(C)(C)CCNc1ncccc1[N+](=O)[O-] ZINC000711830072 712333327 /nfs/dbraw/zinc/33/33/27/712333327.db2.gz BWTXUKGZXPBDLN-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000716634540 712568186 /nfs/dbraw/zinc/56/81/86/712568186.db2.gz BRMONLOIXSASMU-IFFSRLJSSA-N 0 0 248.286 2.089 20 5 BEBDRN O=C(OCCCF)Oc1cccc([N+](=O)[O-])c1 ZINC000841474251 712602513 /nfs/dbraw/zinc/60/25/13/712602513.db2.gz IDQCFXJOGMXYDQ-UHFFFAOYSA-N 0 0 243.190 2.470 20 5 BEBDRN COC(C)(C)[C@@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000720287247 712830394 /nfs/dbraw/zinc/83/03/94/712830394.db2.gz KCIONYPTWMJILM-MRVPVSSYSA-N 0 0 239.275 2.215 20 5 BEBDRN CC(C)[C@H](C)Oc1ncccc1[N+](=O)[O-] ZINC001225592971 962355795 /nfs/dbraw/zinc/35/57/95/962355795.db2.gz JVHHCIJAHZLUBX-QMMMGPOBSA-N 0 0 210.233 2.413 20 5 BEBDRN Cc1nc(NC2CC(F)C2)ccc1[N+](=O)[O-] ZINC001154833230 962865325 /nfs/dbraw/zinc/86/53/25/962865325.db2.gz UGPNOHFQUIALJQ-UHFFFAOYSA-N 0 0 225.223 2.211 20 5 BEBDRN CO[C@@H](C)CNc1ncc([N+](=O)[O-])c(C)c1C ZINC001158808179 963930110 /nfs/dbraw/zinc/93/01/10/963930110.db2.gz ONPYMDOXIKISPO-ZETCQYMHSA-N 0 0 239.275 2.053 20 5 BEBDRN Cc1nc(N2CC[C@@H]3CCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001772506068 1165772880 /nfs/dbraw/zinc/77/28/80/1165772880.db2.gz MNQNKGHVZRYZQH-UWVGGRQHSA-N 0 0 248.286 2.072 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2C=CCC2)n1 ZINC000698264899 1167643856 /nfs/dbraw/zinc/64/38/56/1167643856.db2.gz HLEMEZVCUQRWCN-VIFPVBQESA-N 0 0 219.244 2.429 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCCC(F)F)cn1 ZINC001336823618 977986596 /nfs/dbraw/zinc/98/65/96/977986596.db2.gz GKVLPXZZJQDTBW-UHFFFAOYSA-N 0 0 231.202 2.447 20 5 BEBDRN Cc1c(OC2CC(=O)C2)cccc1[N+](=O)[O-] ZINC000085505898 1167801926 /nfs/dbraw/zinc/80/19/26/1167801926.db2.gz AQBMLSBDADMCJB-UHFFFAOYSA-N 0 0 221.212 2.014 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(NC(C)(C)C2CC2)n1 ZINC001155066229 1168457925 /nfs/dbraw/zinc/45/79/25/1168457925.db2.gz FYBDPGALNGCTGC-UHFFFAOYSA-N 0 0 236.275 2.294 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC=CCCC1 ZINC001344843627 980481952 /nfs/dbraw/zinc/48/19/52/980481952.db2.gz UKWBRTVORKYGLB-MNOVXSKESA-N 0 0 241.287 2.331 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC1(C)C ZINC001345689397 980671790 /nfs/dbraw/zinc/67/17/90/980671790.db2.gz GWLQWNUBXDKINX-RKDXNWHRSA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@]1(C)CCC[C@@H]1C ZINC001346198191 980781541 /nfs/dbraw/zinc/78/15/41/980781541.db2.gz SRCNLHCKCPRYSR-UMNHJUIQSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1c[nH]c(Nc2nc(C)ccc2[N+](=O)[O-])n1 ZINC001185736007 1168757182 /nfs/dbraw/zinc/75/71/82/1168757182.db2.gz NCSKEGLPDMEHOC-UHFFFAOYSA-N 0 0 233.231 2.073 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NCc1cccs1 ZINC001649164034 1168882381 /nfs/dbraw/zinc/88/23/81/1168882381.db2.gz OGLBIFGPWPPMCG-UHFFFAOYSA-N 0 0 238.272 2.002 20 5 BEBDRN O=C(COc1ccsc1[N+](=O)[O-])CC1CC1 ZINC001473032676 983601373 /nfs/dbraw/zinc/60/13/73/983601373.db2.gz HTEXOANKELVPIQ-UHFFFAOYSA-N 0 0 241.268 2.404 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1O[C@H]1CCCOC1 ZINC000118826488 1169261570 /nfs/dbraw/zinc/26/15/70/1169261570.db2.gz ILQAQYFIVVDQEO-VIFPVBQESA-N 0 0 241.218 2.292 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC[C@H](F)C1 ZINC001123256379 1169336479 /nfs/dbraw/zinc/33/64/79/1169336479.db2.gz OTZIWRYPJYMGOB-LPEHRKFASA-N 0 0 247.266 2.113 20 5 BEBDRN CCC(=CC(=O)O[C@H](CC)C[N+](=O)[O-])CC ZINC001123256401 1169336855 /nfs/dbraw/zinc/33/68/55/1169336855.db2.gz PIFPRUCMLOEMLS-SNVBAGLBSA-N 0 0 229.276 2.331 20 5 BEBDRN C[C@@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])CO1 ZINC000402377524 970792507 /nfs/dbraw/zinc/79/25/07/970792507.db2.gz KEJAXOYTBRIKLX-SFYZADRCSA-N 0 0 240.234 2.323 20 5 BEBDRN C[C@H]1C[C@H]1c1nnc(-c2ccc([N+](=O)[O-])nc2)o1 ZINC001256619504 970883454 /nfs/dbraw/zinc/88/34/54/970883454.db2.gz XHTCKKMEEVNKIL-POYBYMJQSA-N 0 0 246.226 2.163 20 5 BEBDRN Nc1ccc(N2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000804780978 970904881 /nfs/dbraw/zinc/90/48/81/970904881.db2.gz GUTYILQSASKTFM-KCJUWKMLSA-N 0 0 233.271 2.166 20 5 BEBDRN C[C@H](OCCCCO)c1ccccc1[N+](=O)[O-] ZINC001217879219 971477214 /nfs/dbraw/zinc/47/72/14/971477214.db2.gz QVFKCEFBPMHWEW-JTQLQIEISA-N 0 0 239.271 2.445 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(C)c1OC1CC(O)C1 ZINC001218257958 971660301 /nfs/dbraw/zinc/66/03/01/971660301.db2.gz KOVUKYCUWWTUFM-UHFFFAOYSA-N 0 0 237.255 2.114 20 5 BEBDRN Cc1[nH]c(=O)cc(OC2CC=CC2)c1[N+](=O)[O-] ZINC001228684934 1169639105 /nfs/dbraw/zinc/63/91/05/1169639105.db2.gz BWKFEJOTUJOPQS-UHFFFAOYSA-N 0 0 236.227 2.101 20 5 BEBDRN CC[C@H](C)Oc1cc(=O)[nH]c(C)c1[N+](=O)[O-] ZINC001228686540 1169639425 /nfs/dbraw/zinc/63/94/25/1169639425.db2.gz OAPDZOIZJQTWTO-LURJTMIESA-N 0 0 226.232 2.181 20 5 BEBDRN Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1C[C@H](O)C1 ZINC001218364219 971743973 /nfs/dbraw/zinc/74/39/73/971743973.db2.gz ZNJBZOMZRNPEMM-MGCOHNPYSA-N 0 0 237.255 2.114 20 5 BEBDRN CCC[C@H](CC)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229452828 1169662735 /nfs/dbraw/zinc/66/27/35/1169662735.db2.gz WZPFDTDVFSVOBG-VIFPVBQESA-N 0 0 240.259 2.186 20 5 BEBDRN Cc1ccc(O[C@H](C[N+](=O)[O-])C2CC2)c(C)n1 ZINC001225430251 974483940 /nfs/dbraw/zinc/48/39/40/974483940.db2.gz ACFDUAKQIMGHPF-GFCCVEGCSA-N 0 0 236.271 2.133 20 5 BEBDRN Cc1cc(O[C@H]2C[C@@H](O)C2)cc(C)c1[N+](=O)[O-] ZINC001218421420 971794579 /nfs/dbraw/zinc/79/45/79/971794579.db2.gz XFMRCSCSPAPMDF-JGZJWPJOSA-N 0 0 237.255 2.114 20 5 BEBDRN CCCC[C@@H](C)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229451281 1169664343 /nfs/dbraw/zinc/66/43/43/1169664343.db2.gz DMEIHBITSXMUTO-SECBINFHSA-N 0 0 240.259 2.186 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OC[C@H]1C[C@H](O)C1 ZINC001218427114 971805499 /nfs/dbraw/zinc/80/54/99/971805499.db2.gz QWFABCJLOCCKCE-HOMQSWHASA-N 0 0 237.255 2.053 20 5 BEBDRN Cc1ccnc([N+](=O)[O-])c1OCCOC(C)C ZINC001233554843 1169689501 /nfs/dbraw/zinc/68/95/01/1169689501.db2.gz CFSDSXHEGUYFOO-UHFFFAOYSA-N 0 0 240.259 2.102 20 5 BEBDRN C[C@H](Nc1nccc(N)c1[N+](=O)[O-])C(C)(C)C ZINC000310178831 971955024 /nfs/dbraw/zinc/95/50/24/971955024.db2.gz WJNIPEDCQGXSHD-ZETCQYMHSA-N 0 0 238.291 2.419 20 5 BEBDRN CCO[C@H](C)COc1cc(C)c([N+](=O)[O-])cn1 ZINC001225658853 974628909 /nfs/dbraw/zinc/62/89/09/974628909.db2.gz LVKBWNGEFBQXRX-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN Nc1cc(F)cnc1Nc1cccc([N+](=O)[O-])c1 ZINC001204415721 956906065 /nfs/dbraw/zinc/90/60/65/956906065.db2.gz NBJNDTWQSURJGS-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cccc(C)c1 ZINC001345693794 957326665 /nfs/dbraw/zinc/32/66/65/957326665.db2.gz KKKIKZSCTNIMTG-NSHDSACASA-N 0 0 237.255 2.207 20 5 BEBDRN Cc1cnn(C)c1Nc1cccc([N+](=O)[O-])c1 ZINC001204439800 957421318 /nfs/dbraw/zinc/42/13/18/957421318.db2.gz LSFBSDOJEBHASS-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Cc1nc(CNc2cccnc2[N+](=O)[O-])oc1C ZINC000226745606 957561290 /nfs/dbraw/zinc/56/12/90/957561290.db2.gz MZUCMHCGDAWVCC-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OC[C@H](O)C1CC1 ZINC000402456626 958228586 /nfs/dbraw/zinc/22/85/86/958228586.db2.gz UXJRLXAWSKZNPE-NSHDSACASA-N 0 0 237.255 2.053 20 5 BEBDRN CC[C@H](C)O[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001204622320 959911246 /nfs/dbraw/zinc/91/12/46/959911246.db2.gz LJXPLBUNFQIXHG-DTWKUNHWSA-N 0 0 241.291 2.303 20 5 BEBDRN Cc1cc(O[C@H]2C[C@H](O)C2)cc(C)c1[N+](=O)[O-] ZINC001218362466 959996681 /nfs/dbraw/zinc/99/66/81/959996681.db2.gz XFMRCSCSPAPMDF-HOMQSWHASA-N 0 0 237.255 2.114 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1c(F)cccc1F)C1CC1 ZINC001225206188 961865854 /nfs/dbraw/zinc/86/58/54/961865854.db2.gz JJZDWDLFOVMEBR-SNVBAGLBSA-N 0 0 243.209 2.399 20 5 BEBDRN COC[C@H](C)Oc1ccc(F)c([N+](=O)[O-])c1 ZINC001225383171 962115513 /nfs/dbraw/zinc/11/55/13/962115513.db2.gz VWNMWOGRZVPMDG-ZETCQYMHSA-N 0 0 229.207 2.148 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2CC(F)C2)c(F)c1 ZINC001154832522 962851731 /nfs/dbraw/zinc/85/17/31/962851731.db2.gz DJRVTYZFXFNVIU-UHFFFAOYSA-N 0 0 229.186 2.041 20 5 BEBDRN Cc1oncc1CNc1nccc(C)c1[N+](=O)[O-] ZINC001154884850 962884573 /nfs/dbraw/zinc/88/45/73/962884573.db2.gz XZVPIYXGSGSOHS-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CCCN(CCC)c1ncc([N+](=O)[O-])cc1N ZINC001155182293 963012009 /nfs/dbraw/zinc/01/20/09/963012009.db2.gz LTTASDDJIPPYKC-UHFFFAOYSA-N 0 0 238.291 2.198 20 5 BEBDRN Cc1nnc(O[C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC001226459742 963204937 /nfs/dbraw/zinc/20/49/37/963204937.db2.gz SKCCQKUVFMLXSL-ZETCQYMHSA-N 0 0 249.226 2.426 20 5 BEBDRN C[C@H](Oc1ncc([N+](=O)[O-])cn1)C1CCCC1 ZINC001226733977 963326272 /nfs/dbraw/zinc/32/62/72/963326272.db2.gz VDYJAOKJUCJYEM-QMMMGPOBSA-N 0 0 237.259 2.342 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001226750939 963331298 /nfs/dbraw/zinc/33/12/98/963331298.db2.gz BGTUDRBQBXNHGP-SRSLHRDFSA-N 0 0 238.218 2.306 20 5 BEBDRN CC(=O)CNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001156781105 963463099 /nfs/dbraw/zinc/46/30/99/963463099.db2.gz RWGCBCWHLDQSKU-UHFFFAOYSA-N 0 0 245.238 2.144 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC3CC(C3)C2)n1 ZINC001156892751 963484190 /nfs/dbraw/zinc/48/41/90/963484190.db2.gz UJKGWUKCRUAXHE-UHFFFAOYSA-N 0 0 247.298 2.453 20 5 BEBDRN Nc1cc([N+](=O)[O-])cnc1NCCC1CCC1 ZINC001158053343 963797566 /nfs/dbraw/zinc/79/75/66/963797566.db2.gz OZDIQJUXMMNQKM-UHFFFAOYSA-N 0 0 236.275 2.174 20 5 BEBDRN C/C=C\C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001158232202 963835090 /nfs/dbraw/zinc/83/50/90/963835090.db2.gz SVFIHPJEAFFJIG-ARJAWSKDSA-N 0 0 235.243 2.000 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OC1CC2(COC2)C1 ZINC001228916719 963907717 /nfs/dbraw/zinc/90/77/17/963907717.db2.gz ZEKQRSBCRIZZII-UHFFFAOYSA-N 0 0 249.266 2.461 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC[C@H]1C[C@H](F)C1 ZINC001168237297 964035987 /nfs/dbraw/zinc/03/59/87/964035987.db2.gz OVULDYOYTTZSAT-ZKCHVHJHSA-N 0 0 225.223 2.150 20 5 BEBDRN CCCC=Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159668725 964142259 /nfs/dbraw/zinc/14/22/59/964142259.db2.gz YGRPDPSNLIISSG-ONEGZZNKSA-N 0 0 238.203 2.234 20 5 BEBDRN CC(C)(C)CO[C@H](C[N+](=O)[O-])C1CC1 ZINC001204886479 964471735 /nfs/dbraw/zinc/47/17/35/964471735.db2.gz JRILRGPWXNEVOR-SECBINFHSA-N 0 0 201.266 2.104 20 5 BEBDRN C[C@H](OC[C@H]1CCO1)c1ccccc1[N+](=O)[O-] ZINC001224471226 964690246 /nfs/dbraw/zinc/69/02/46/964690246.db2.gz AWBWGIGCLXMCME-VHSXEESVSA-N 0 0 237.255 2.461 20 5 BEBDRN C[C@@H](OC[C@H]1CCO1)c1ccccc1[N+](=O)[O-] ZINC001224471214 964690264 /nfs/dbraw/zinc/69/02/64/964690264.db2.gz AWBWGIGCLXMCME-NXEZZACHSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1CC=CCC1 ZINC001161752341 964737690 /nfs/dbraw/zinc/73/76/90/964737690.db2.gz MFEIQPYKIWMULH-SNVBAGLBSA-N 0 0 249.270 2.057 20 5 BEBDRN Nc1cc([N+](=O)[O-])cnc1N[C@@H]1CC=CCC1 ZINC001161754272 964738706 /nfs/dbraw/zinc/73/87/06/964738706.db2.gz HZZGDDMXWOUMBV-MRVPVSSYSA-N 0 0 234.259 2.093 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ncc1NCC(F)F ZINC001161811965 964767185 /nfs/dbraw/zinc/76/71/85/964767185.db2.gz ZURLLBOMZBZIBT-UHFFFAOYSA-N 0 0 237.593 2.320 20 5 BEBDRN CCCCNc1ncc([N+](=O)[O-])cc1NC ZINC001162202072 964865674 /nfs/dbraw/zinc/86/56/74/964865674.db2.gz FWVNKCWAGGSYES-UHFFFAOYSA-N 0 0 224.264 2.244 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC2CC(F)C2)n1 ZINC001162212804 964874176 /nfs/dbraw/zinc/87/41/76/964874176.db2.gz ZVWFQWICLGBWNG-UHFFFAOYSA-N 0 0 225.223 2.211 20 5 BEBDRN CSCCCSc1nn(C)cc1[N+](=O)[O-] ZINC001163459649 965411383 /nfs/dbraw/zinc/41/13/83/965411383.db2.gz KKRAICAFTZIYEY-UHFFFAOYSA-N 0 0 247.345 2.174 20 5 BEBDRN CC1(C)CN(c2nccc(Cl)c2[N+](=O)[O-])C1 ZINC001163724502 965534035 /nfs/dbraw/zinc/53/40/35/965534035.db2.gz WJNVUQUQQXUTRG-UHFFFAOYSA-N 0 0 241.678 2.489 20 5 BEBDRN O=[N+]([O-])c1cc(O[C@H]2C[C@H]3C=C[C@@H]2C3)ccn1 ZINC001233856749 965591777 /nfs/dbraw/zinc/59/17/77/965591777.db2.gz FVFMSWNPWJKCIN-NGZCFLSTSA-N 0 0 232.239 2.333 20 5 BEBDRN CC(C)(C)C(=O)CNc1ncccc1[N+](=O)[O-] ZINC001164002292 965671429 /nfs/dbraw/zinc/67/14/29/965671429.db2.gz CBSYJXHCIHEMHX-UHFFFAOYSA-N 0 0 237.259 2.017 20 5 BEBDRN CNc1cc([N+](=O)[O-])cnc1NC1(C)CCC1 ZINC001164030029 965703218 /nfs/dbraw/zinc/70/32/18/965703218.db2.gz LVQWVAFNXSBMRO-UHFFFAOYSA-N 0 0 236.275 2.386 20 5 BEBDRN COc1ccc([N+](=O)[O-])nc1NC1(C)CCC1 ZINC001164032213 965706256 /nfs/dbraw/zinc/70/62/56/965706256.db2.gz HSHALGJRACCZKF-UHFFFAOYSA-N 0 0 237.259 2.353 20 5 BEBDRN C[C@@H]1CCN(c2cccc([N+](=O)[O-])n2)C[C@H]1F ZINC001164175536 965778959 /nfs/dbraw/zinc/77/89/59/965778959.db2.gz XWMRRXGZELFBRM-RKDXNWHRSA-N 0 0 239.250 2.174 20 5 BEBDRN CC1(F)CN(c2cc(Cl)ncc2[N+](=O)[O-])C1 ZINC001164582082 965923125 /nfs/dbraw/zinc/92/31/25/965923125.db2.gz LTZDYDGAJQVADM-UHFFFAOYSA-N 0 0 245.641 2.191 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(N2CCC23CCCC3)n1 ZINC001165278155 966021977 /nfs/dbraw/zinc/02/19/77/966021977.db2.gz YJZKQLQWAOSLKV-UHFFFAOYSA-N 0 0 248.286 2.216 20 5 BEBDRN Cc1c(COc2cncnc2)cccc1[N+](=O)[O-] ZINC001166939102 966458216 /nfs/dbraw/zinc/45/82/16/966458216.db2.gz MVFLBHGSTAROQJ-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN COc1cc(Nc2ccc([N+](=O)[O-])nc2)ccn1 ZINC001203561474 966687139 /nfs/dbraw/zinc/68/71/39/966687139.db2.gz XSDFWLMGKQIBJR-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN Cc1cnc(Nc2ccc([N+](=O)[O-])nc2)nc1C ZINC001203560980 966693061 /nfs/dbraw/zinc/69/30/61/966693061.db2.gz SIJVQLUNZNPFRU-UHFFFAOYSA-N 0 0 245.242 2.140 20 5 BEBDRN Cn1cnc(Nc2cccc([N+](=O)[O-])c2)c1 ZINC001204406769 966992113 /nfs/dbraw/zinc/99/21/13/966992113.db2.gz HRLJOKWMQZVMOZ-UHFFFAOYSA-N 0 0 218.216 2.072 20 5 BEBDRN COc1nccc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC001204406224 966992219 /nfs/dbraw/zinc/99/22/19/966992219.db2.gz BUFGNYFJPOQXDQ-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2cncnc2)c1 ZINC001204407182 966993107 /nfs/dbraw/zinc/99/31/07/966993107.db2.gz MHUWFBOVGXHAJG-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN Cn1nccc1Nc1cccc([N+](=O)[O-])c1 ZINC001204406432 966994076 /nfs/dbraw/zinc/99/40/76/966994076.db2.gz DIKAYAMOLCTHNS-UHFFFAOYSA-N 0 0 218.216 2.072 20 5 BEBDRN O=c1[nH]cccc1Nc1cccc([N+](=O)[O-])c1 ZINC001204416143 966994599 /nfs/dbraw/zinc/99/45/99/966994599.db2.gz QUESNYKABOZNEE-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN Cc1ncncc1Nc1cccc([N+](=O)[O-])c1 ZINC001204416563 966995961 /nfs/dbraw/zinc/99/59/61/966995961.db2.gz XIOZOEVQOJPLLE-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ccncc1CNc1ccc([N+](=O)[O-])nc1 ZINC000163052674 967313708 /nfs/dbraw/zinc/31/37/08/967313708.db2.gz UHZKCQXVKAGNPI-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1c(C)c(N(C)C(C)C)ncc1[N+](=O)[O-] ZINC001163622320 968087078 /nfs/dbraw/zinc/08/70/78/968087078.db2.gz YXIFBPPKCXARCB-UHFFFAOYSA-N 0 0 223.276 2.451 20 5 BEBDRN O=[N+]([O-])c1cnc(Cl)cc1N1CCCCO1 ZINC001163929208 968138375 /nfs/dbraw/zinc/13/83/75/968138375.db2.gz XMNIJHRIMFVSQE-UHFFFAOYSA-N 0 0 243.650 2.175 20 5 BEBDRN COc1ccc(NC2(C)CCC2)nc1[N+](=O)[O-] ZINC001164024915 968155759 /nfs/dbraw/zinc/15/57/59/968155759.db2.gz FDOKNBHLLYPKNQ-UHFFFAOYSA-N 0 0 237.259 2.353 20 5 BEBDRN C[C@H](CCO)Nc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001165905455 968303378 /nfs/dbraw/zinc/30/33/78/968303378.db2.gz ONEKLMHSEDPQRN-MRVPVSSYSA-N 0 0 249.270 2.259 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(N[C@H](C)CCO)c1F ZINC001165938085 968303507 /nfs/dbraw/zinc/30/35/07/968303507.db2.gz LHTLXYAINUWUKZ-MRVPVSSYSA-N 0 0 242.250 2.225 20 5 BEBDRN COc1cc(N(C)C(C)(C)C)ncc1[N+](=O)[O-] ZINC001166529333 968323060 /nfs/dbraw/zinc/32/30/60/968323060.db2.gz BONZOCFQUDMROK-UHFFFAOYSA-N 0 0 239.275 2.233 20 5 BEBDRN Cc1nnc([C@@H]2N=Nc3ccc([N+](=O)[O-])cc32)o1 ZINC001253422502 969167963 /nfs/dbraw/zinc/16/79/63/969167963.db2.gz ZWAGEYLRZSDATQ-SECBINFHSA-N 0 0 245.198 2.473 20 5 BEBDRN Cc1nnc([C@H]2N=Nc3ccc([N+](=O)[O-])cc32)o1 ZINC001253422505 969168664 /nfs/dbraw/zinc/16/86/64/969168664.db2.gz ZWAGEYLRZSDATQ-VIFPVBQESA-N 0 0 245.198 2.473 20 5 BEBDRN Cc1nnc(-c2cc(F)c([N+](=O)[O-])cc2F)o1 ZINC001253457142 969183915 /nfs/dbraw/zinc/18/39/15/969183915.db2.gz POISDIGRSJPEJM-UHFFFAOYSA-N 0 0 241.153 2.231 20 5 BEBDRN Cc1nnc(-c2c(C)c([N+](=O)[O-])ccc2F)o1 ZINC001253470634 969187178 /nfs/dbraw/zinc/18/71/78/969187178.db2.gz FNCZDFZFKSEYBO-UHFFFAOYSA-N 0 0 237.190 2.401 20 5 BEBDRN O=[N+]([O-])C[C@H]1CC[C@@H](N2CCCC(F)(F)C2)C1 ZINC001169008277 969333767 /nfs/dbraw/zinc/33/37/67/969333767.db2.gz SPVICJYDJDFDIZ-VHSXEESVSA-N 0 0 248.273 2.163 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1-c1nnc(C2CC2)o1 ZINC001254102568 969497299 /nfs/dbraw/zinc/49/72/99/969497299.db2.gz KRIBWCXXGXTESH-UHFFFAOYSA-N 0 0 246.226 2.226 20 5 BEBDRN Nc1ccc(Nc2ccnc(F)c2)cc1[N+](=O)[O-] ZINC001209934992 969694800 /nfs/dbraw/zinc/69/48/00/969694800.db2.gz SRZNWLCDBVMKLD-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN Nc1ccc(Nc2ncccc2F)cc1[N+](=O)[O-] ZINC001209932001 969695168 /nfs/dbraw/zinc/69/51/68/969695168.db2.gz HZUGGAKPNPKURI-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN CCc1nnc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC001255062173 969869292 /nfs/dbraw/zinc/86/92/92/969869292.db2.gz ZNZIUAKQLXIXKU-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN CCn1nccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210393255 969881430 /nfs/dbraw/zinc/88/14/30/969881430.db2.gz WRJVYFXTLKNIMF-UHFFFAOYSA-N 0 0 248.242 2.260 20 5 BEBDRN CCn1cnc(Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC001210396254 969884124 /nfs/dbraw/zinc/88/41/24/969884124.db2.gz PJYWUMVZADTHBA-UHFFFAOYSA-N 0 0 248.242 2.260 20 5 BEBDRN CCc1nnc(Cc2c(C)cccc2[N+](=O)[O-])o1 ZINC001255102020 969935638 /nfs/dbraw/zinc/93/56/38/969935638.db2.gz FEELOSWWXYTXSF-UHFFFAOYSA-N 0 0 247.254 2.439 20 5 BEBDRN CC(=O)CNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001156780815 969998498 /nfs/dbraw/zinc/99/84/98/969998498.db2.gz IFPDWIAZYHDUMG-UHFFFAOYSA-N 0 0 245.238 2.144 20 5 BEBDRN CC[C@H](C)Nc1cc(OC)c([N+](=O)[O-])cn1 ZINC001157229808 970157904 /nfs/dbraw/zinc/15/79/04/970157904.db2.gz CAHXBQWSUVCMLP-ZETCQYMHSA-N 0 0 225.248 2.209 20 5 BEBDRN Cc1nnc(Nc2ccc(F)c([N+](=O)[O-])c2)o1 ZINC001211188773 970168164 /nfs/dbraw/zinc/16/81/64/970168164.db2.gz OWKDOXIFFGHEOA-UHFFFAOYSA-N 0 0 238.178 2.169 20 5 BEBDRN CCCNc1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001157357246 970206326 /nfs/dbraw/zinc/20/63/26/970206326.db2.gz BCFKZRNVEHIFPG-UHFFFAOYSA-N 0 0 225.248 2.129 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1ccnn1C ZINC001211283558 970216048 /nfs/dbraw/zinc/21/60/48/970216048.db2.gz FGFVVFBFGDZGBO-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1ncccn1 ZINC001211284728 970216268 /nfs/dbraw/zinc/21/62/68/970216268.db2.gz LLGHPVBSHSAEDK-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ccc(Nc2cn(C)cn2)c([N+](=O)[O-])c1 ZINC001214165378 970442347 /nfs/dbraw/zinc/44/23/47/970442347.db2.gz SKXXIRJTEQMJII-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Cc1ccc(Nc2cncnc2)c([N+](=O)[O-])c1 ZINC001214164952 970445084 /nfs/dbraw/zinc/44/50/84/970445084.db2.gz GXAKCADLMDGITA-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN O=[N+]([O-])c1cccc(COC[C@H]2CCCO2)c1 ZINC001222768958 972691021 /nfs/dbraw/zinc/69/10/21/972691021.db2.gz OIIBEMSMPOWATQ-GFCCVEGCSA-N 0 0 237.255 2.290 20 5 BEBDRN CC(C)(O)COc1cc([N+](=O)[O-])c(F)cc1F ZINC001328047381 972863099 /nfs/dbraw/zinc/86/30/99/972863099.db2.gz WLQFBPGUBLBSEF-UHFFFAOYSA-N 0 0 247.197 2.023 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1COC1CC(=O)C1 ZINC001223539350 973141438 /nfs/dbraw/zinc/14/14/38/973141438.db2.gz QCTSCAQDIAGLFT-UHFFFAOYSA-N 0 0 235.239 2.151 20 5 BEBDRN COc1ccc(COC2CC2)cc1[N+](=O)[O-] ZINC001223649518 973215994 /nfs/dbraw/zinc/21/59/94/973215994.db2.gz QXZVMGAMQWLXGL-UHFFFAOYSA-N 0 0 223.228 2.282 20 5 BEBDRN C[C@H](O[C@H](C[N+](=O)[O-])C1CC1)c1ccccn1 ZINC001223997122 973387136 /nfs/dbraw/zinc/38/71/36/973387136.db2.gz WCMDDYSRWYIUGN-JOYOIKCWSA-N 0 0 236.271 2.215 20 5 BEBDRN C[C@@H](O[C@H](C[N+](=O)[O-])C1CC1)c1ccccn1 ZINC001223997120 973389300 /nfs/dbraw/zinc/38/93/00/973389300.db2.gz WCMDDYSRWYIUGN-BXKDBHETSA-N 0 0 236.271 2.215 20 5 BEBDRN O=[N+]([O-])C[C@@H](O[C@@H]1Cc2ccccc21)C1CC1 ZINC001224062419 973436236 /nfs/dbraw/zinc/43/62/36/973436236.db2.gz LNWAGECUVQLPDH-CHWSQXEVSA-N 0 0 233.267 2.356 20 5 BEBDRN CC(C)OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001224095032 973451416 /nfs/dbraw/zinc/45/14/16/973451416.db2.gz KRTSVHIACOVNRM-UHFFFAOYSA-N 0 0 240.215 2.428 20 5 BEBDRN O=[N+]([O-])C[C@@H](OCCc1cccs1)C1CC1 ZINC001224784934 973953843 /nfs/dbraw/zinc/95/38/43/973953843.db2.gz ARIWDTBZLPAOHT-LLVKDONJSA-N 0 0 241.312 2.363 20 5 BEBDRN O=c1ccc(Nc2ccccc2[N+](=O)[O-])c[nH]1 ZINC001206140296 974092548 /nfs/dbraw/zinc/09/25/48/974092548.db2.gz PGSTYQSABBYOHR-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN Nc1cc(F)cnc1Nc1ccccc1[N+](=O)[O-] ZINC001206144048 974136433 /nfs/dbraw/zinc/13/64/33/974136433.db2.gz CHXOZRLDDMNSKO-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN Cc1ccc(O[C@H](C[N+](=O)[O-])C2CC2)cc1 ZINC001225260377 974321859 /nfs/dbraw/zinc/32/18/59/974321859.db2.gz KIQKBZPGDKFYOG-GFCCVEGCSA-N 0 0 221.256 2.429 20 5 BEBDRN O=[N+]([O-])c1cc(OC[C@H]2CCCO2)ccc1F ZINC001225383127 974458019 /nfs/dbraw/zinc/45/80/19/974458019.db2.gz VBVDOJMSUWGGFV-SECBINFHSA-N 0 0 241.218 2.292 20 5 BEBDRN CO[C@H](C)COc1ccc(F)c([N+](=O)[O-])c1 ZINC001225381510 974458064 /nfs/dbraw/zinc/45/80/64/974458064.db2.gz HCGYNKVIUHYUND-SSDOTTSWSA-N 0 0 229.207 2.148 20 5 BEBDRN O=[N+]([O-])c1cccnc1OC1CC(F)(F)C1 ZINC001225593752 974578967 /nfs/dbraw/zinc/57/89/67/974578967.db2.gz XRLJDMOEIBVFHU-UHFFFAOYSA-N 0 0 230.170 2.166 20 5 BEBDRN O=[N+]([O-])c1cccnc1O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001225592844 974579325 /nfs/dbraw/zinc/57/93/25/974579325.db2.gz IWDNQWDVWYKHEV-NGZCFLSTSA-N 0 0 232.239 2.333 20 5 BEBDRN O=[N+]([O-])c1ncccc1O[C@H]1C=CCC1 ZINC001225629045 974605450 /nfs/dbraw/zinc/60/54/50/974605450.db2.gz CUDKVMURBFTPRE-QMMMGPOBSA-N 0 0 206.201 2.087 20 5 BEBDRN O=c1cc[nH]c(OC2CCCC2)c1[N+](=O)[O-] ZINC001225667384 974634763 /nfs/dbraw/zinc/63/47/63/974634763.db2.gz RUDRYYIUFIXCBY-UHFFFAOYSA-N 0 0 224.216 2.017 20 5 BEBDRN C=C/C=C\CCNc1ncc([N+](=O)[O-])c(C)n1 ZINC001331268198 974665482 /nfs/dbraw/zinc/66/54/82/974665482.db2.gz ATOCQNCMXPFRAY-PLNGDYQASA-N 0 0 234.259 2.237 20 5 BEBDRN O=[N+]([O-])c1cccc(OC2CCOCC2)c1F ZINC001225794154 974684252 /nfs/dbraw/zinc/68/42/52/974684252.db2.gz JJAKETPXUILFOT-UHFFFAOYSA-N 0 0 241.218 2.292 20 5 BEBDRN Cc1ccnc(O[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC001226117145 974798730 /nfs/dbraw/zinc/79/87/30/974798730.db2.gz YPDHAVZCENSYBR-MRVPVSSYSA-N 0 0 222.244 2.476 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1cnccc1Cl)C1CC1 ZINC001226293552 974844891 /nfs/dbraw/zinc/84/48/91/974844891.db2.gz KPRZROGLPWHCAJ-SNVBAGLBSA-N 0 0 242.662 2.169 20 5 BEBDRN CC[C@H](COc1c(O)cccc1[N+](=O)[O-])OC ZINC001226333600 974863692 /nfs/dbraw/zinc/86/36/92/974863692.db2.gz MTGLHRVNEVWKTC-MRVPVSSYSA-N 0 0 241.243 2.104 20 5 BEBDRN COc1cc(O[C@@H](C)C2CC2)ncc1[N+](=O)[O-] ZINC001226576458 974961373 /nfs/dbraw/zinc/96/13/73/974961373.db2.gz QKCVFIGIZDKTRW-ZETCQYMHSA-N 0 0 238.243 2.176 20 5 BEBDRN COc1cc(O[C@H](C)C(C)C)ncc1[N+](=O)[O-] ZINC001226579803 974961430 /nfs/dbraw/zinc/96/14/30/974961430.db2.gz VYYPTEOBRFFUEA-MRVPVSSYSA-N 0 0 240.259 2.422 20 5 BEBDRN COc1cc(O[C@@H](C)C(C)C)ncc1[N+](=O)[O-] ZINC001226582137 974963906 /nfs/dbraw/zinc/96/39/06/974963906.db2.gz VYYPTEOBRFFUEA-QMMMGPOBSA-N 0 0 240.259 2.422 20 5 BEBDRN CC[C@@H](C)Oc1cc(OC)c([N+](=O)[O-])cn1 ZINC001226580950 974963921 /nfs/dbraw/zinc/96/39/21/974963921.db2.gz HJLKCSALFHGBBI-SSDOTTSWSA-N 0 0 226.232 2.176 20 5 BEBDRN COc1cc(O[C@@H]2C=CCC2)ncc1[N+](=O)[O-] ZINC001226580819 974964548 /nfs/dbraw/zinc/96/45/48/974964548.db2.gz FPAQVVXTZUOKAP-MRVPVSSYSA-N 0 0 236.227 2.096 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2CCSCC2)cn1 ZINC001226710154 975042778 /nfs/dbraw/zinc/04/27/78/975042778.db2.gz NHRJSJAULMZMSH-UHFFFAOYSA-N 0 0 240.284 2.264 20 5 BEBDRN O=[N+]([O-])c1cnc(O[C@H]2CCCC[C@H]2F)nc1 ZINC001226734209 975050838 /nfs/dbraw/zinc/05/08/38/975050838.db2.gz VXWNTXYDIGUPPT-BDAKNGLRSA-N 0 0 241.222 2.044 20 5 BEBDRN O=[N+]([O-])c1cnc(O[C@H]2CC3CCC2CC3)nc1 ZINC001226733331 975051641 /nfs/dbraw/zinc/05/16/41/975051641.db2.gz MQXUDCKUOHEZMC-AMUVOQDHSA-N 0 0 249.270 2.342 20 5 BEBDRN C[C@@H]1CCCC[C@@H]1Oc1ncc([N+](=O)[O-])cn1 ZINC001226731209 975051738 /nfs/dbraw/zinc/05/17/38/975051738.db2.gz MDYTUGAMWCQGFF-SCZZXKLOSA-N 0 0 237.259 2.342 20 5 BEBDRN O=[N+]([O-])c1cnc(OC2CCCCCC2)nc1 ZINC001226733206 975052127 /nfs/dbraw/zinc/05/21/27/975052127.db2.gz JXRUKGOYJPOPCM-UHFFFAOYSA-N 0 0 237.259 2.486 20 5 BEBDRN O=[N+]([O-])c1cnc(O[C@@H]2CCCC[C@@H]2F)nc1 ZINC001226734211 975052166 /nfs/dbraw/zinc/05/21/66/975052166.db2.gz VXWNTXYDIGUPPT-DTWKUNHWSA-N 0 0 241.222 2.044 20 5 BEBDRN CO[C@H](C)COc1c(F)cc([N+](=O)[O-])cc1F ZINC001226744172 975053789 /nfs/dbraw/zinc/05/37/89/975053789.db2.gz NCLDZTGRTFFWLQ-ZCFIWIBFSA-N 0 0 247.197 2.287 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1O[C@@H]1C=CCC1 ZINC001226751847 975056663 /nfs/dbraw/zinc/05/66/63/975056663.db2.gz UTRDWYNESMCGTH-MRVPVSSYSA-N 0 0 224.191 2.226 20 5 BEBDRN CC1=C(Oc2cccc([N+](=O)[O-])c2)C(=O)O[C@@H]1C ZINC001226763012 975063341 /nfs/dbraw/zinc/06/33/41/975063341.db2.gz GTIIDHSSFYGJNS-MRVPVSSYSA-N 0 0 249.222 2.193 20 5 BEBDRN CCOC[C@H](C)Oc1ncc([N+](=O)[O-])cc1C ZINC001226762022 975064066 /nfs/dbraw/zinc/06/40/66/975064066.db2.gz PQFBZNMXFRAWPA-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN CC[C@H](C)Oc1ncc([N+](=O)[O-])cc1C ZINC001226762430 975064503 /nfs/dbraw/zinc/06/45/03/975064503.db2.gz UPRGEZWEVHKZAR-QMMMGPOBSA-N 0 0 210.233 2.476 20 5 BEBDRN O=[N+]([O-])c1cccc(OC2CC3(COC3)C2)c1 ZINC001226763411 975064517 /nfs/dbraw/zinc/06/45/17/975064517.db2.gz SLUSWVQFJBWBAX-UHFFFAOYSA-N 0 0 235.239 2.153 20 5 BEBDRN O=C1CCC(Oc2cccc([N+](=O)[O-])c2)CC1 ZINC001226765155 975066275 /nfs/dbraw/zinc/06/62/75/975066275.db2.gz PLZKCVLMNGSBNF-UHFFFAOYSA-N 0 0 235.239 2.485 20 5 BEBDRN C[C@H]1COCC[C@H]1Oc1cccc([N+](=O)[O-])c1 ZINC001226767065 975068095 /nfs/dbraw/zinc/06/80/95/975068095.db2.gz HBFCWHADDJDOMX-JOYOIKCWSA-N 0 0 237.255 2.399 20 5 BEBDRN C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CCCO1 ZINC001173226009 975074174 /nfs/dbraw/zinc/07/41/74/975074174.db2.gz KNDKIHITRGXKQP-SNVBAGLBSA-N 0 0 236.271 2.163 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)c(OC[C@H]2CCO2)c1 ZINC001226811400 975094209 /nfs/dbraw/zinc/09/42/09/975094209.db2.gz YLNKEUFFQFSFKD-MRVPVSSYSA-N 0 0 243.646 2.416 20 5 BEBDRN Cc1cc(O[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC001226841557 975118318 /nfs/dbraw/zinc/11/83/18/975118318.db2.gz OGTOJHRHWBTJRD-SNVBAGLBSA-N 0 0 223.228 2.071 20 5 BEBDRN Cc1cc(OC[C@H]2CCO2)ccc1[N+](=O)[O-] ZINC001226841080 975118826 /nfs/dbraw/zinc/11/88/26/975118826.db2.gz JMXZUXXWPTUMBE-SNVBAGLBSA-N 0 0 223.228 2.071 20 5 BEBDRN COC[C@H](C)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC001226950866 975179932 /nfs/dbraw/zinc/17/99/32/975179932.db2.gz PLHWMLRKCIUMIU-VIFPVBQESA-N 0 0 225.244 2.317 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC1CC2(COC2)C1 ZINC001226968716 975194535 /nfs/dbraw/zinc/19/45/35/975194535.db2.gz IBYPIRICPWKRTG-UHFFFAOYSA-N 0 0 249.266 2.461 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1O[C@@H]1COC[C@H]1F ZINC001226995146 975213220 /nfs/dbraw/zinc/21/32/20/975213220.db2.gz MGPJUGFWKDRHSO-MWLCHTKSSA-N 0 0 241.218 2.019 20 5 BEBDRN Cc1c(O)cccc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001227432063 975405583 /nfs/dbraw/zinc/40/55/83/975405583.db2.gz SZVWBBLSZZYBHA-LBPRGKRZSA-N 0 0 237.255 2.135 20 5 BEBDRN O=[N+]([O-])c1ccccc1OC1CC2(COC2)C1 ZINC001227481701 975434084 /nfs/dbraw/zinc/43/40/84/975434084.db2.gz YKVSMJQAKXQQKJ-UHFFFAOYSA-N 0 0 235.239 2.153 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2CCC2)c([N+](=O)[O-])c1 ZINC001227464099 975441712 /nfs/dbraw/zinc/44/17/12/975441712.db2.gz WMSLXXXVJHDTET-UHFFFAOYSA-N 0 0 238.199 2.434 20 5 BEBDRN CC1=C[C@@H](Oc2ccccc2[N+](=O)[O-])CC(=O)O1 ZINC001227480291 975464248 /nfs/dbraw/zinc/46/42/48/975464248.db2.gz LIUWUNVLFBYZRE-SECBINFHSA-N 0 0 249.222 2.193 20 5 BEBDRN O=[N+]([O-])c1ccccc1O[C@H]1CCOC[C@@H]1F ZINC001227484838 975466688 /nfs/dbraw/zinc/46/66/88/975466688.db2.gz ZNGWWESCILXZFH-WPRPVWTQSA-N 0 0 241.218 2.101 20 5 BEBDRN CC1=C[C@@H](Oc2ccc([N+](=O)[O-])cc2)CC(=O)O1 ZINC001227521332 975498458 /nfs/dbraw/zinc/49/84/58/975498458.db2.gz PVJWAUVOCOYPGX-LLVKDONJSA-N 0 0 249.222 2.193 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2CCOC[C@H]2F)cc1 ZINC001227523464 975502864 /nfs/dbraw/zinc/50/28/64/975502864.db2.gz JZZJMHLNSUWWFR-MNOVXSKESA-N 0 0 241.218 2.101 20 5 BEBDRN O=[N+]([O-])c1cncc(O[C@H]2C[C@H]3C=C[C@@H]2C3)c1 ZINC001227988433 975833513 /nfs/dbraw/zinc/83/35/13/975833513.db2.gz SLYBHVFNPYEJLJ-SBMIAAHKSA-N 0 0 232.239 2.333 20 5 BEBDRN COC[C@H](C)Oc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001228609812 976379114 /nfs/dbraw/zinc/37/91/14/976379114.db2.gz JDQYOWRJZMOJNH-LURJTMIESA-N 0 0 247.197 2.287 20 5 BEBDRN CCCC[C@H](C)Oc1ncncc1[N+](=O)[O-] ZINC001228654092 976409735 /nfs/dbraw/zinc/40/97/35/976409735.db2.gz GOAQJQFUBLUXCG-QMMMGPOBSA-N 0 0 225.248 2.342 20 5 BEBDRN Cc1cc2[nH]c(OC3CC3)nc2cc1[N+](=O)[O-] ZINC001228675062 976431718 /nfs/dbraw/zinc/43/17/18/976431718.db2.gz NFPODDRTEOAORY-UHFFFAOYSA-N 0 0 233.227 2.321 20 5 BEBDRN Cc1ccc(OCC[N+](=O)[O-])c2c1[C@@H](C)CC2=O ZINC001334365203 976469102 /nfs/dbraw/zinc/46/91/02/976469102.db2.gz OIHZPPBMMNAPAV-VIFPVBQESA-N 0 0 249.266 2.340 20 5 BEBDRN Cc1ccc(OCC[N+](=O)[O-])c2c1[C@H](C)CC2=O ZINC001334365198 976471189 /nfs/dbraw/zinc/47/11/89/976471189.db2.gz OIHZPPBMMNAPAV-SECBINFHSA-N 0 0 249.266 2.340 20 5 BEBDRN COc1cnc(Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC001174475021 976789173 /nfs/dbraw/zinc/78/91/73/976789173.db2.gz BGLPULGYYQDTHK-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN COc1cncc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC001174474998 976789536 /nfs/dbraw/zinc/78/95/36/976789536.db2.gz ADICOYMYYDHVHH-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN Cc1ncncc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174475720 976793861 /nfs/dbraw/zinc/79/38/61/976793861.db2.gz QCVVJDBUEGOEAD-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN COc1nccc(Nc2ccc([N+](=O)[O-])cc2)n1 ZINC001174476242 976793912 /nfs/dbraw/zinc/79/39/12/976793912.db2.gz ZNHUITHVEUMCMP-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN Cc1cnn(C)c1Nc1ccc([N+](=O)[O-])cc1 ZINC001174477692 976795343 /nfs/dbraw/zinc/79/53/43/976795343.db2.gz VYWMCXDGPHOPCU-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cncc(CO)c2)cc1 ZINC001174477242 976796992 /nfs/dbraw/zinc/79/69/92/976796992.db2.gz HKUBSCJQUZYYGX-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN Cc1c(Nc2ccc([N+](=O)[O-])cc2)ncn1C ZINC001174476985 976797594 /nfs/dbraw/zinc/79/75/94/976797594.db2.gz DJTBOQXHKOFAAB-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN COc1ncc(Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC001174477532 976798407 /nfs/dbraw/zinc/79/84/07/976798407.db2.gz SPFAWSDSMXAUES-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN CC(C)Oc1n[nH]c(=O)c2ccc([N+](=O)[O-])cc21 ZINC001229361235 976844803 /nfs/dbraw/zinc/84/48/03/976844803.db2.gz MLKPFSXSQBOKIZ-UHFFFAOYSA-N 0 0 249.226 2.031 20 5 BEBDRN CC[C@@H](COC)Oc1cc([N+](=O)[O-])ccc1O ZINC001229395760 976857228 /nfs/dbraw/zinc/85/72/28/976857228.db2.gz LFDDEPWQIRNXRO-VIFPVBQESA-N 0 0 241.243 2.104 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)ncnc2OC1CCC1 ZINC001229399306 976861925 /nfs/dbraw/zinc/86/19/25/976861925.db2.gz IQOBTOYEJJHBPK-UHFFFAOYSA-N 0 0 245.238 2.469 20 5 BEBDRN Cc1ccc(OC[C@H]2CCO2)c([N+](=O)[O-])c1 ZINC001230144131 977120194 /nfs/dbraw/zinc/12/01/94/977120194.db2.gz RYGRMMFPURBTJN-SECBINFHSA-N 0 0 223.228 2.071 20 5 BEBDRN Cc1ccc(OC2CC2)c([N+](=O)[O-])c1[N+](=O)[O-] ZINC001230493005 977223953 /nfs/dbraw/zinc/22/39/53/977223953.db2.gz WLBRJJKOOMBLOO-UHFFFAOYSA-N 0 0 238.199 2.353 20 5 BEBDRN O=[N+]([O-])c1cc2c[nH]nc2cc1OC1CC1 ZINC001230601566 977269652 /nfs/dbraw/zinc/26/96/52/977269652.db2.gz OIEZJIYOFUAPSV-UHFFFAOYSA-N 0 0 219.200 2.012 20 5 BEBDRN O=[N+]([O-])c1ccc(F)c(Nc2cnccn2)c1 ZINC001175734697 977670375 /nfs/dbraw/zinc/67/03/75/977670375.db2.gz NDSWDJUDDGDDQF-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN Nc1cc(N[C@@H]2CC[C@H]3C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001336666127 977843787 /nfs/dbraw/zinc/84/37/87/977843787.db2.gz RCLONVWQHKZEJC-XHNCKOQMSA-N 0 0 248.286 2.173 20 5 BEBDRN CC(C)=CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001336681819 977852899 /nfs/dbraw/zinc/85/28/99/977852899.db2.gz QPWBPSGDTGGKNG-UHFFFAOYSA-N 0 0 249.270 2.390 20 5 BEBDRN Cc1c(OC(=O)[C@H]2C[C@@H]2F)cccc1[N+](=O)[O-] ZINC001336815770 977980196 /nfs/dbraw/zinc/98/01/96/977980196.db2.gz LNNDCICNWRPLGZ-YUMQZZPRSA-N 0 0 239.202 2.167 20 5 BEBDRN CC(C)(C)C[C@H](NCC[N+](=O)[O-])C(F)(F)F ZINC001336818366 977983530 /nfs/dbraw/zinc/98/35/30/977983530.db2.gz CAMSXGHKWJBWCW-ZETCQYMHSA-N 0 0 242.241 2.220 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1C[C@H]2CCC[C@H]21 ZINC001336859504 978009287 /nfs/dbraw/zinc/00/92/87/978009287.db2.gz RBUNORMESJBDTI-FXPVBKGRSA-N 0 0 233.271 2.012 20 5 BEBDRN COc1ccc(Nc2ccncn2)cc1[N+](=O)[O-] ZINC001176359835 978050522 /nfs/dbraw/zinc/05/05/22/978050522.db2.gz NPNRCPIZZDLUSP-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN CC1CC(CNc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337219313 978222857 /nfs/dbraw/zinc/22/28/57/978222857.db2.gz CVNAPXDZFUEARW-UHFFFAOYSA-N 0 0 236.275 2.030 20 5 BEBDRN Cc1ccc(NC(=O)[C@@H]2C[C@H]2F)cc1[N+](=O)[O-] ZINC001337795058 978499156 /nfs/dbraw/zinc/49/91/56/978499156.db2.gz JTGKJNBVJVCDFC-RKDXNWHRSA-N 0 0 238.218 2.200 20 5 BEBDRN C[C@@H]1CCC[C@@H]1Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001337850663 978526309 /nfs/dbraw/zinc/52/63/09/978526309.db2.gz CJGIRGRXCNDTQE-APPZFPTMSA-N 0 0 236.275 2.173 20 5 BEBDRN Cc1cc(NC(=O)[C@H]2C[C@@H]2F)cc([N+](=O)[O-])c1 ZINC001337878350 978547006 /nfs/dbraw/zinc/54/70/06/978547006.db2.gz HIIRUVMJPCDBPT-UWVGGRQHSA-N 0 0 238.218 2.200 20 5 BEBDRN CO[C@H](C)COc1cc(F)c([N+](=O)[O-])cc1F ZINC001233597420 978640845 /nfs/dbraw/zinc/64/08/45/978640845.db2.gz LWUNMVPOHMZRID-ZCFIWIBFSA-N 0 0 247.197 2.287 20 5 BEBDRN CC(=O)[C@@H](C)Oc1cc(F)c([N+](=O)[O-])c(F)c1 ZINC001233753540 978687734 /nfs/dbraw/zinc/68/77/34/978687734.db2.gz MFFWEABHHCRQNZ-ZCFIWIBFSA-N 0 0 245.181 2.229 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2CCOC2)c(F)c1F ZINC001233763885 978694379 /nfs/dbraw/zinc/69/43/79/978694379.db2.gz TVNUYRWJQAVZNU-ZCFIWIBFSA-N 0 0 245.181 2.041 20 5 BEBDRN COC[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1F ZINC001234054184 978763616 /nfs/dbraw/zinc/76/36/16/978763616.db2.gz AUIPYSDUDSEDSZ-QMMMGPOBSA-N 0 0 243.234 2.456 20 5 BEBDRN Cc1cc(NC(=O)[C@H]2C[C@H]2C)cc([N+](=O)[O-])c1 ZINC001339248477 978825807 /nfs/dbraw/zinc/82/58/07/978825807.db2.gz JWDBTLGNUWLYCW-KCJUWKMLSA-N 0 0 234.255 2.498 20 5 BEBDRN CO[C@H](C)CCOc1c(C)nccc1[N+](=O)[O-] ZINC001234899358 978927971 /nfs/dbraw/zinc/92/79/71/978927971.db2.gz BNGGXXWOFGQQSE-MRVPVSSYSA-N 0 0 240.259 2.102 20 5 BEBDRN CCC1(CNc2c(C)cncc2[N+](=O)[O-])CC1 ZINC001341800379 979565496 /nfs/dbraw/zinc/56/54/96/979565496.db2.gz VRMALXHJGITVHF-UHFFFAOYSA-N 0 0 235.287 2.322 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cccnc2F)cn1 ZINC001203561608 979779697 /nfs/dbraw/zinc/77/96/97/979779697.db2.gz YPPUOEPIHRUHEN-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN Cc1c(CC(=O)NC2(C)CC2)cccc1[N+](=O)[O-] ZINC001342691378 979867787 /nfs/dbraw/zinc/86/77/87/979867787.db2.gz GCFYFDYXBMIALK-UHFFFAOYSA-N 0 0 248.282 2.114 20 5 BEBDRN Cc1ccc(OC(=O)[C@@H]2C[C@@H]2F)cc1[N+](=O)[O-] ZINC001342753673 979886633 /nfs/dbraw/zinc/88/66/33/979886633.db2.gz WAKQPNNPARUYAA-BDAKNGLRSA-N 0 0 239.202 2.167 20 5 BEBDRN O=C(OCCF)Oc1ccccc1[N+](=O)[O-] ZINC001184947369 980156204 /nfs/dbraw/zinc/15/62/04/980156204.db2.gz SGJUOWJCWNKDAR-UHFFFAOYSA-N 0 0 229.163 2.080 20 5 BEBDRN CC(C)(CCC(=O)NC(C)(C)C1CC1)[N+](=O)[O-] ZINC001344111528 980349458 /nfs/dbraw/zinc/34/94/58/980349458.db2.gz MZTMPAHQQWRTES-UHFFFAOYSA-N 0 0 242.319 2.127 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)/C=C1/CC[C@H](C)C1 ZINC001344401775 980388384 /nfs/dbraw/zinc/38/83/84/980388384.db2.gz FHDVFDRJHQLLEF-HLLGUJQBSA-N 0 0 241.287 2.331 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)CC1=CCCCC1 ZINC001344404875 980391085 /nfs/dbraw/zinc/39/10/85/980391085.db2.gz XKCVHYHZMNUQPS-NSHDSACASA-N 0 0 241.287 2.475 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CCC(C)(F)F ZINC001345009699 980517731 /nfs/dbraw/zinc/51/77/31/980517731.db2.gz FYHNQBCYCRXNDN-SSDOTTSWSA-N 0 0 239.218 2.020 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(F)s1 ZINC001345689891 980670716 /nfs/dbraw/zinc/67/07/16/980670716.db2.gz QXVPOSBLLQQEOV-LURJTMIESA-N 0 0 247.247 2.099 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001345695674 980673144 /nfs/dbraw/zinc/67/31/44/980673144.db2.gz VSGNBTQUZGZWDQ-GWOFURMSSA-N 0 0 241.287 2.021 20 5 BEBDRN C[C@@H](COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)[N+](=O)[O-] ZINC001346122955 980760381 /nfs/dbraw/zinc/76/03/81/980760381.db2.gz HDPJSCNXHMICDB-XWLWVQCSSA-N 0 0 241.287 2.021 20 5 BEBDRN Nc1nc(NCCC2CCC2)ccc1[N+](=O)[O-] ZINC000156845563 980798081 /nfs/dbraw/zinc/79/80/81/980798081.db2.gz HEKSRRUUWQMOAY-UHFFFAOYSA-N 0 0 236.275 2.174 20 5 BEBDRN CC[C@@H]1CCC[C@@]1(C)C(=O)OCCC[N+](=O)[O-] ZINC001346451227 980841399 /nfs/dbraw/zinc/84/13/99/980841399.db2.gz UMZGLHOPJCAGCO-ZYHUDNBSSA-N 0 0 243.303 2.413 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC1CC(C)(C)C1 ZINC001347270029 981026829 /nfs/dbraw/zinc/02/68/29/981026829.db2.gz LSTZRFANDIMRBV-UHFFFAOYSA-N 0 0 235.287 2.321 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)CC(C)(C)C1CC1 ZINC001347429684 981075987 /nfs/dbraw/zinc/07/59/87/981075987.db2.gz GDVKSHYXGSWYSI-JTQLQIEISA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C(C)(C)C1CC1 ZINC001349804991 981749911 /nfs/dbraw/zinc/74/99/11/981749911.db2.gz DITVHTJYRKDEKJ-VIFPVBQESA-N 0 0 229.276 2.021 20 5 BEBDRN O=C(NC/C=C\Cl)c1csc([N+](=O)[O-])c1 ZINC001585947878 981957000 /nfs/dbraw/zinc/95/70/00/981957000.db2.gz QLGUCRZQCODFBC-UPHRSURJSA-N 0 0 246.675 2.139 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC(F)C2)c2ccccc21 ZINC001353272219 982811005 /nfs/dbraw/zinc/81/10/05/982811005.db2.gz KKGANPKVWKPJRC-UHFFFAOYSA-N 0 0 247.229 2.301 20 5 BEBDRN C/C=C(\C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001353836094 983020430 /nfs/dbraw/zinc/02/04/30/983020430.db2.gz SMJPCDXQTGNRSR-QPJJXVBHSA-N 0 0 249.270 2.390 20 5 BEBDRN Cc1ncncc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199814603 983024224 /nfs/dbraw/zinc/02/42/24/983024224.db2.gz LKAPHRPTUAILBX-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1c(NC(=O)[C@H]2C[C@H]2F)cccc1[N+](=O)[O-] ZINC001354119662 983162336 /nfs/dbraw/zinc/16/23/36/983162336.db2.gz CWUWDCAVUGVICV-JGVFFNPUSA-N 0 0 238.218 2.200 20 5 BEBDRN Nc1ccc(NCCC(F)F)c([N+](=O)[O-])c1 ZINC001354400573 983301144 /nfs/dbraw/zinc/30/11/44/983301144.db2.gz KJNPZKWWTCZULE-UHFFFAOYSA-N 0 0 231.202 2.244 20 5 BEBDRN C[C@H](CO)CO[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001205964298 983916771 /nfs/dbraw/zinc/91/67/71/983916771.db2.gz UUNYJIHJSHPTAK-ZJUUUORDSA-N 0 0 239.271 2.301 20 5 BEBDRN C[C@@H]1CC=CC[C@H]1Nc1nn(C)cc1[N+](=O)[O-] ZINC001458699014 985347129 /nfs/dbraw/zinc/34/71/29/985347129.db2.gz BILVZSHJHCPEHK-RKDXNWHRSA-N 0 0 236.275 2.095 20 5 BEBDRN O=[N+]([O-])c1sccc1OCc1ccno1 ZINC001459081216 985378492 /nfs/dbraw/zinc/37/84/92/985378492.db2.gz BKQLOBHKULJVDF-UHFFFAOYSA-N 0 0 226.213 2.223 20 5 BEBDRN O=[N+]([O-])c1nccn1Cc1cccc(F)c1F ZINC001459212250 985398267 /nfs/dbraw/zinc/39/82/67/985398267.db2.gz DATNRWYITIMYDH-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1COc1cncnc1 ZINC001459290645 985433835 /nfs/dbraw/zinc/43/38/35/985433835.db2.gz GYSZSNOUOJNHTI-UHFFFAOYSA-N 0 0 249.201 2.103 20 5 BEBDRN C[C@@H]1COC[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000688025505 985504846 /nfs/dbraw/zinc/50/48/46/985504846.db2.gz PKBNZRATWBKLPK-HQJQHLMTSA-N 0 0 240.234 2.181 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H]2COC[C@H]2C)c1 ZINC000688044436 985519534 /nfs/dbraw/zinc/51/95/34/985519534.db2.gz ADNAGIOEEPLTHY-KOLCDFICSA-N 0 0 236.271 2.350 20 5 BEBDRN C[C@@H]1C[C@H]1c1nnc(-c2ccc([N+](=O)[O-])o2)o1 ZINC001256616839 987247157 /nfs/dbraw/zinc/24/71/57/987247157.db2.gz JPMKBXRCCSWUFH-PHDIDXHHSA-N 0 0 235.199 2.361 20 5 BEBDRN C[C@H]1C[C@@H]1c1nnc(-c2ccncc2[N+](=O)[O-])o1 ZINC001256715726 987274423 /nfs/dbraw/zinc/27/44/23/987274423.db2.gz APNSQTQDFNIZQZ-XPUUQOCRSA-N 0 0 246.226 2.163 20 5 BEBDRN C[C@@H]1C[C@@H]1c1nnc(-c2ccncc2[N+](=O)[O-])o1 ZINC001256715725 987275362 /nfs/dbraw/zinc/27/53/62/987275362.db2.gz APNSQTQDFNIZQZ-SVRRBLITSA-N 0 0 246.226 2.163 20 5 BEBDRN CCCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001116155487 987458899 /nfs/dbraw/zinc/45/88/99/987458899.db2.gz DEAPTAVOJUQGST-UHFFFAOYSA-N 0 0 234.255 2.237 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CC[C@H](C)C1 ZINC001116711035 987680213 /nfs/dbraw/zinc/68/02/13/987680213.db2.gz RVOXHTYTYVYLNZ-QMMMGPOBSA-N 0 0 221.260 2.144 20 5 BEBDRN CC(C)(C)c1nnc(-c2ccc([N+](=O)[O-])cn2)o1 ZINC001322377151 988230720 /nfs/dbraw/zinc/23/07/20/988230720.db2.gz BROBXPVCZGUVFI-UHFFFAOYSA-N 0 0 248.242 2.337 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CCC(F)(F)C1 ZINC001322546708 988321012 /nfs/dbraw/zinc/32/10/12/988321012.db2.gz UPTDVPNKRVLDKW-UHFFFAOYSA-N 0 0 243.213 2.144 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC(C1CC1)C1CC1 ZINC001324358754 988813446 /nfs/dbraw/zinc/81/34/46/988813446.db2.gz RADISVBJNDGJOB-UHFFFAOYSA-N 0 0 247.298 2.321 20 5 BEBDRN Cc1ccc(-c2noc(CC[N+](=O)[O-])n2)cc1C ZINC001247521963 988924881 /nfs/dbraw/zinc/92/48/81/988924881.db2.gz UILANSVRUGCQTP-UHFFFAOYSA-N 0 0 247.254 2.173 20 5 BEBDRN Cc1conc1Nc1cc([N+](=O)[O-])cnc1C ZINC001248746722 989140626 /nfs/dbraw/zinc/14/06/26/989140626.db2.gz ONAYQCYLFLCFJX-UHFFFAOYSA-N 0 0 234.215 2.338 20 5 BEBDRN Cc1cc(Nc2cc([N+](=O)[O-])cnc2C)n(C)n1 ZINC001248745025 989142306 /nfs/dbraw/zinc/14/23/06/989142306.db2.gz BRUKESCGVUVQBR-UHFFFAOYSA-N 0 0 247.258 2.084 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)CCCC(C)C ZINC001517178837 989207168 /nfs/dbraw/zinc/20/71/68/989207168.db2.gz JCYQQQXNRGJHCY-JTQLQIEISA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C1CC2(CCC2)C1 ZINC001517179484 989202825 /nfs/dbraw/zinc/20/28/25/989202825.db2.gz OKTWAPDHYCZXCM-JTQLQIEISA-N 0 0 241.287 2.165 20 5 BEBDRN Cc1cc(NC(=O)NC2CC2)cc([N+](=O)[O-])c1 ZINC001517936597 989259900 /nfs/dbraw/zinc/25/99/00/989259900.db2.gz LRJUAEDFCJBRQS-UHFFFAOYSA-N 0 0 235.243 2.187 20 5 BEBDRN Cc1ncncc1Nc1cc([N+](=O)[O-])cnc1C ZINC001249545306 989308275 /nfs/dbraw/zinc/30/82/75/989308275.db2.gz YYEXLWOUYQKXQQ-UHFFFAOYSA-N 0 0 245.242 2.140 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCC2CSC2)cn1 ZINC001120990200 989996291 /nfs/dbraw/zinc/99/62/91/989996291.db2.gz XZHGZUDELIDSNC-UHFFFAOYSA-N 0 0 239.300 2.155 20 5 BEBDRN CCCC[C@@H](C)C(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001526648320 990165521 /nfs/dbraw/zinc/16/55/21/990165521.db2.gz FFPOTQVREVMFAX-ZJUUUORDSA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CC[C@H](C)C1 ZINC001526649679 990169064 /nfs/dbraw/zinc/16/90/64/990169064.db2.gz RQWPJDWUNHMMDO-LPEHRKFASA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](COC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)[N+](=O)[O-] ZINC001122950442 990468209 /nfs/dbraw/zinc/46/82/09/990468209.db2.gz JRDXCLJQFKKCEV-XWLWVQCSSA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@@H](C)CC(=O)O[C@H](CC)C[N+](=O)[O-] ZINC001123354550 990553820 /nfs/dbraw/zinc/55/38/20/990553820.db2.gz BAPXGMWRDCRODR-RKDXNWHRSA-N 0 0 217.265 2.021 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC(C)(C)C1 ZINC001123355118 990557954 /nfs/dbraw/zinc/55/79/54/990557954.db2.gz MEUNLBGYLMTCBU-ZJUUUORDSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1cc(C)cs1 ZINC001123355071 990558158 /nfs/dbraw/zinc/55/81/58/990558158.db2.gz KZCONWYGZUZZPP-MRVPVSSYSA-N 0 0 243.284 2.269 20 5 BEBDRN Cc1cc[nH]c1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001124333462 990777675 /nfs/dbraw/zinc/77/76/75/990777675.db2.gz FETLGDKHYJMQRB-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN C=C=CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001556751369 990852937 /nfs/dbraw/zinc/85/29/37/990852937.db2.gz VJYDEOOASYBMRP-SNVBAGLBSA-N 0 0 246.266 2.156 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1C[C@@H](C)[C@H](C)C1 ZINC001258098633 991008620 /nfs/dbraw/zinc/00/86/20/991008620.db2.gz XECQPGTVVFOXEH-NXEZZACHSA-N 0 0 235.287 2.390 20 5 BEBDRN Cc1cc(Nc2cnn(C)c2)c([N+](=O)[O-])s1 ZINC001559075927 991031932 /nfs/dbraw/zinc/03/19/32/991031932.db2.gz BPCXXWRJUMVIJX-UHFFFAOYSA-N 0 0 238.272 2.442 20 5 BEBDRN O=c1[nH]ccc(N2C[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC001559229712 991055705 /nfs/dbraw/zinc/05/57/05/991055705.db2.gz OJCLNJJETYHEDG-RKDXNWHRSA-N 0 0 249.270 2.074 20 5 BEBDRN O=[N+]([O-])c1ccnn1Cc1ccccc1CF ZINC001559361205 991080757 /nfs/dbraw/zinc/08/07/57/991080757.db2.gz QYBXVIHDXYKJPJ-UHFFFAOYSA-N 0 0 235.218 2.309 20 5 BEBDRN O=[N+]([O-])c1nccn1CCc1ccccc1F ZINC001559454247 991110272 /nfs/dbraw/zinc/11/02/72/991110272.db2.gz SFYYZJJSZNTENX-UHFFFAOYSA-N 0 0 235.218 2.173 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C=C1CCCC1 ZINC001263624327 993430084 /nfs/dbraw/zinc/43/00/84/993430084.db2.gz RKZIKVDHSCHCJI-JTQLQIEISA-N 0 0 227.260 2.085 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCc2ncccn2)c1 ZINC000702326411 993986832 /nfs/dbraw/zinc/98/68/32/993986832.db2.gz QAXMYLSHAKFESZ-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN C=C/C=C/CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001291853375 994591347 /nfs/dbraw/zinc/59/13/47/994591347.db2.gz NMFMDUGFLPDODO-ONEGZZNKSA-N 0 0 246.266 2.343 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCc1ncccn1 ZINC001307202247 995301352 /nfs/dbraw/zinc/30/13/52/995301352.db2.gz XHUWFTXYDORGIP-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN C=C/C=C/CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001610969138 1170425900 /nfs/dbraw/zinc/42/59/00/1170425900.db2.gz DUKRMEZTAZNFEI-ONEGZZNKSA-N 0 0 246.266 2.457 20 5 BEBDRN Cc1nc(Nc2ccccc2)ncc1[N+](=O)[O-] ZINC001611728369 1170444350 /nfs/dbraw/zinc/44/43/50/1170444350.db2.gz XYTZFKSUYFHUGU-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN O=c1sccn1/C=C/c1ccc([N+](=O)[O-])o1 ZINC001613565605 1170479062 /nfs/dbraw/zinc/47/90/62/1170479062.db2.gz GXJPJAPZSFSANV-ONEGZZNKSA-N 0 0 238.224 2.039 20 5 BEBDRN CC(C)OCCOc1ccsc1[N+](=O)[O-] ZINC001613792580 1170487028 /nfs/dbraw/zinc/48/70/28/1170487028.db2.gz TXUJCNFLWCDJOP-UHFFFAOYSA-N 0 0 231.273 2.460 20 5 BEBDRN C[C@H](NCC1=NOCC1)c1ccccc1[N+](=O)[O-] ZINC001620554459 1170680592 /nfs/dbraw/zinc/68/05/92/1170680592.db2.gz LXKJRFMSAHBRCV-VIFPVBQESA-N 0 0 249.270 2.022 20 5 BEBDRN CC(=O)[C@H](C)Oc1cc(C)ccc1[N+](=O)[O-] ZINC000037976323 1171001141 /nfs/dbraw/zinc/00/11/41/1171001141.db2.gz LHIXHLJTTDLCBL-VIFPVBQESA-N 0 0 223.228 2.260 20 5 BEBDRN CC(C)(C)CNc1ncnc(Cl)c1[N+](=O)[O-] ZINC000050455209 1171806222 /nfs/dbraw/zinc/80/62/22/1171806222.db2.gz UHBUKNPLXVKOLL-UHFFFAOYSA-N 0 0 244.682 2.496 20 5 BEBDRN C[C@]1(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000335179279 343977948 /nfs/dbraw/zinc/97/79/48/343977948.db2.gz XYBIBUIXLQMFJQ-KOLCDFICSA-N 0 0 238.218 2.281 20 5 BEBDRN Cc1cc(CNc2nc(C)ccc2[N+](=O)[O-])on1 ZINC000162616127 178043918 /nfs/dbraw/zinc/04/39/18/178043918.db2.gz SNENSZTYKRQIJF-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2C[C@H]3C[C@H]3C2)s1 ZINC000397681548 398190990 /nfs/dbraw/zinc/19/09/90/398190990.db2.gz UDWYPSBJGSDVOI-KVSKUHBBSA-N 0 0 225.273 2.262 20 5 BEBDRN Cc1cc(N(C)CC[C@H](C)O)ccc1[N+](=O)[O-] ZINC000078416427 178098468 /nfs/dbraw/zinc/09/84/68/178098468.db2.gz OTJNNDYHRAMFFS-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1cc(N2CCCO2)c(F)cc1[N+](=O)[O-] ZINC000292816799 178113897 /nfs/dbraw/zinc/11/38/97/178113897.db2.gz ZKTNPYNVDIDTNO-UHFFFAOYSA-N 0 0 226.207 2.184 20 5 BEBDRN Cc1cc(N2C[C@@H](C)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000301454036 178120305 /nfs/dbraw/zinc/12/03/05/178120305.db2.gz VLARFEFEZGGFGY-NXEZZACHSA-N 0 0 235.287 2.390 20 5 BEBDRN Cc1cc(N2C[C@@H](F)[C@@H](F)C2)ccc1[N+](=O)[O-] ZINC000336266356 178122732 /nfs/dbraw/zinc/12/27/32/178122732.db2.gz YDPKEJHRSTZMTN-AOOOYVTPSA-N 0 0 242.225 2.399 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@H]2C)c1 ZINC000266039527 398208864 /nfs/dbraw/zinc/20/88/64/398208864.db2.gz GIZSWUCDJYFYTI-NXEZZACHSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1cc(NC[C@@H](O)C2CC2)ccc1[N+](=O)[O-] ZINC000071306165 178165649 /nfs/dbraw/zinc/16/56/49/178165649.db2.gz ARUFMLBGUWMEIS-GFCCVEGCSA-N 0 0 236.271 2.086 20 5 BEBDRN Cc1cc(NCC2(CO)CC2)ccc1[N+](=O)[O-] ZINC000080687217 178156395 /nfs/dbraw/zinc/15/63/95/178156395.db2.gz FICOVSWPMQIYPG-UHFFFAOYSA-N 0 0 236.271 2.088 20 5 BEBDRN Cc1cc(NCCc2ccc[nH]2)ncc1[N+](=O)[O-] ZINC000271713471 178163604 /nfs/dbraw/zinc/16/36/04/178163604.db2.gz JYDRQQZAUHVMIM-UHFFFAOYSA-N 0 0 246.270 2.281 20 5 BEBDRN Cc1cc(NC[C@@H]2C[C@H]2C)ncc1[N+](=O)[O-] ZINC000128758641 178167077 /nfs/dbraw/zinc/16/70/77/178167077.db2.gz NTLKDSATCGZMAA-APPZFPTMSA-N 0 0 221.260 2.366 20 5 BEBDRN Cc1cc(NC[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000037998943 178170007 /nfs/dbraw/zinc/17/00/07/178170007.db2.gz YSJKXRNIUCFHNF-SNVBAGLBSA-N 0 0 236.271 2.352 20 5 BEBDRN Cc1cc(NC[C@H]2C[C@H]2C)ncc1[N+](=O)[O-] ZINC000128758858 178170733 /nfs/dbraw/zinc/17/07/33/178170733.db2.gz NTLKDSATCGZMAA-VXNVDRBHSA-N 0 0 221.260 2.366 20 5 BEBDRN Cc1ocnc1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000301855897 178176945 /nfs/dbraw/zinc/17/69/45/178176945.db2.gz IGYJPXQCTOOLSN-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1cc(N[C@@H](C)c2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000226500323 178180928 /nfs/dbraw/zinc/18/09/28/178180928.db2.gz JMMHRLHLKLJCHM-QMMMGPOBSA-N 0 0 247.258 2.194 20 5 BEBDRN Cc1cc(N[C@@H]2CCSC2)ncc1[N+](=O)[O-] ZINC000074767763 178182941 /nfs/dbraw/zinc/18/29/41/178182941.db2.gz PXPYMXUQMDBRFA-MRVPVSSYSA-N 0 0 239.300 2.216 20 5 BEBDRN Cc1cc(N[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000070968738 178183277 /nfs/dbraw/zinc/18/32/77/178183277.db2.gz LNBKPPCNYYRHAH-SNVBAGLBSA-N 0 0 222.244 2.104 20 5 BEBDRN Cc1cc(N[C@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC000034409444 178187401 /nfs/dbraw/zinc/18/74/01/178187401.db2.gz RZXGAOADKYWQJS-LLVKDONJSA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1cc(N[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000070968744 178190798 /nfs/dbraw/zinc/19/07/98/178190798.db2.gz LNBKPPCNYYRHAH-JTQLQIEISA-N 0 0 222.244 2.104 20 5 BEBDRN Cc1cc(N[C@]2(C)CCOC2)ccc1[N+](=O)[O-] ZINC000092688782 178192291 /nfs/dbraw/zinc/19/22/91/178192291.db2.gz ZFXAXADIAFKQIU-GFCCVEGCSA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cc(OCc2nccn2C)ccc1[N+](=O)[O-] ZINC000123827391 178213082 /nfs/dbraw/zinc/21/30/82/178213082.db2.gz DNWHLLWBBFTBLY-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1cc(S[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000092658993 178218461 /nfs/dbraw/zinc/21/84/61/178218461.db2.gz DXYTURLMQFZQBL-QMMMGPOBSA-N 0 0 227.285 2.376 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn([C@@H]2C=CCCC2)c1=O ZINC000178339179 178274571 /nfs/dbraw/zinc/27/45/71/178274571.db2.gz HGMWWJYIKFOHQO-SNVBAGLBSA-N 0 0 234.255 2.346 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1-c1nc(N(C)C)no1 ZINC000269263604 178271462 /nfs/dbraw/zinc/27/14/62/178271462.db2.gz CQJFKAYJEDCROU-UHFFFAOYSA-N 0 0 248.242 2.019 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCC1(C)COC1 ZINC000339189547 178272919 /nfs/dbraw/zinc/27/29/19/178272919.db2.gz WLUGRPADFXJHSR-UHFFFAOYSA-N 0 0 237.255 2.319 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCOC1 ZINC000037061837 178273269 /nfs/dbraw/zinc/27/32/69/178273269.db2.gz UDWLYRQMOZAXGC-JTQLQIEISA-N 0 0 236.271 2.352 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C)CCO ZINC000097442879 178273319 /nfs/dbraw/zinc/27/33/19/178273319.db2.gz MEBKPSGBAALCDU-VIFPVBQESA-N 0 0 238.287 2.334 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[C@H](C)C1 ZINC000267728209 178273671 /nfs/dbraw/zinc/27/36/71/178273671.db2.gz VLFBFSHPNLGXGJ-NXEZZACHSA-N 0 0 235.287 2.390 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)c1ccon1 ZINC000341934011 178275474 /nfs/dbraw/zinc/27/54/74/178275474.db2.gz XFVLIEZJISHJPW-MRVPVSSYSA-N 0 0 248.242 2.459 20 5 BEBDRN CCC(CC)N(CC)c1c([N+](=O)[O-])ncn1C ZINC000289204397 168372481 /nfs/dbraw/zinc/37/24/81/168372481.db2.gz XUKYWWYHILVJBT-UHFFFAOYSA-N 0 0 240.307 2.343 20 5 BEBDRN Cc1c(OCc2ccnn2C)cccc1[N+](=O)[O-] ZINC000161344750 398269963 /nfs/dbraw/zinc/26/99/63/398269963.db2.gz LOQSVDHHGKLRCD-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1ccc(C(=O)NCCC2CC2)cc1[N+](=O)[O-] ZINC000081019763 178406175 /nfs/dbraw/zinc/40/61/75/178406175.db2.gz LNQUOWCIACNXAV-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN C[C@H](CO)CCCNc1ccsc1[N+](=O)[O-] ZINC000309569508 342672327 /nfs/dbraw/zinc/67/23/27/342672327.db2.gz NFWDOBPFHCRKRN-QMMMGPOBSA-N 0 0 244.316 2.477 20 5 BEBDRN CCN(CC(F)F)c1ncc(C)cc1[N+](=O)[O-] ZINC000273192980 398279839 /nfs/dbraw/zinc/27/98/39/398279839.db2.gz CZVRCPTVGUOTCD-UHFFFAOYSA-N 0 0 245.229 2.390 20 5 BEBDRN Cn1ccnc1CNc1sccc1[N+](=O)[O-] ZINC000309597841 342731245 /nfs/dbraw/zinc/73/12/45/342731245.db2.gz VHQMLMCSVZNDIB-UHFFFAOYSA-N 0 0 238.272 2.002 20 5 BEBDRN C/C=C/CSCCn1c(C)ncc1[N+](=O)[O-] ZINC000601918199 342792140 /nfs/dbraw/zinc/79/21/40/342792140.db2.gz XEVSAGNBIYSKBF-ONEGZZNKSA-N 0 0 241.316 2.409 20 5 BEBDRN CC[C@H]1CC[C@H](C)N1c1ncc([N+](=O)[O-])cn1 ZINC000274007935 398295949 /nfs/dbraw/zinc/29/59/49/398295949.db2.gz UMEJIVHARQLPMF-IUCAKERBSA-N 0 0 236.275 2.152 20 5 BEBDRN C[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000072522063 342840606 /nfs/dbraw/zinc/84/06/06/342840606.db2.gz QOTFCLTYWOOQIQ-VIFPVBQESA-N 0 0 221.260 2.226 20 5 BEBDRN Cc1ccc(NC(=O)c2cocn2)cc1[N+](=O)[O-] ZINC000609159457 342863766 /nfs/dbraw/zinc/86/37/66/342863766.db2.gz LOOKSPZULAOQHG-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN O=[N+]([O-])c1ccc(SCc2cn[nH]c2)nc1 ZINC000349833269 398309199 /nfs/dbraw/zinc/30/91/99/398309199.db2.gz SKSGUGWIDXAQKP-UHFFFAOYSA-N 0 0 236.256 2.005 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N[C@H]2CCSC2)c1 ZINC000282228097 398316737 /nfs/dbraw/zinc/31/67/37/398316737.db2.gz OULCRLMHSSDGPM-QMMMGPOBSA-N 0 0 239.300 2.094 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(NC2CC(F)(F)C2)c1 ZINC000282333451 398316949 /nfs/dbraw/zinc/31/69/49/398316949.db2.gz VIPLNSZPABMLSN-UHFFFAOYSA-N 0 0 243.213 2.387 20 5 BEBDRN Cc1cn(CC2CCCC2)nc1[N+](=O)[O-] ZINC000282278819 398317013 /nfs/dbraw/zinc/31/70/13/398317013.db2.gz PJYUANLPPJSRBJ-UHFFFAOYSA-N 0 0 209.249 2.290 20 5 BEBDRN C[C@@H]1C[C@@H](C)N1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000335878778 398318743 /nfs/dbraw/zinc/31/87/43/398318743.db2.gz OVOVASWLMIJOOV-NXEZZACHSA-N 0 0 248.282 2.147 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2ccc(O)cc2)cn1 ZINC000134761940 342882368 /nfs/dbraw/zinc/88/23/68/342882368.db2.gz RLIUNTVXOZATPZ-UHFFFAOYSA-N 0 0 245.238 2.308 20 5 BEBDRN Cc1cn(CC[C@@H]2CCCCO2)nc1[N+](=O)[O-] ZINC000330430667 398315576 /nfs/dbraw/zinc/31/55/76/398315576.db2.gz ZPCDKOVQVBKRQC-JTQLQIEISA-N 0 0 239.275 2.059 20 5 BEBDRN C[C@@H](CO)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228417551 398324408 /nfs/dbraw/zinc/32/44/08/398324408.db2.gz SZWYLDQQOAFDSH-SSDOTTSWSA-N 0 0 244.678 2.289 20 5 BEBDRN C[C@@H](O)CN(C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000228430365 398324767 /nfs/dbraw/zinc/32/47/67/398324767.db2.gz BZMALOAXZNYEBH-SSDOTTSWSA-N 0 0 244.678 2.065 20 5 BEBDRN CC[C@H](F)COc1cccnc1[N+](=O)[O-] ZINC000440570346 398329193 /nfs/dbraw/zinc/32/91/93/398329193.db2.gz RDCQPZFSGSTSKX-ZETCQYMHSA-N 0 0 214.196 2.117 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]2C)n1 ZINC000128107517 398333864 /nfs/dbraw/zinc/33/38/64/398333864.db2.gz CGUJLCZYQFUHBY-SECBINFHSA-N 0 0 221.260 2.287 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CC=CCC1 ZINC000611510029 398334192 /nfs/dbraw/zinc/33/41/92/398334192.db2.gz ZBUPSMIHBMVSDM-UHFFFAOYSA-N 0 0 219.244 2.065 20 5 BEBDRN C[C@@H]1C[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000136091463 398343350 /nfs/dbraw/zinc/34/33/50/398343350.db2.gz GEMPSVGDSVJGRD-HTQZYQBOSA-N 0 0 207.233 2.058 20 5 BEBDRN C[C@@H]1OCC[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000147486457 398344832 /nfs/dbraw/zinc/34/48/32/398344832.db2.gz XQGGJNIIPLBJNQ-CBAPKCEASA-N 0 0 240.234 2.323 20 5 BEBDRN O=[N+]([O-])c1ccsc1NC[C@H]1CCCOC1 ZINC000310008796 343146727 /nfs/dbraw/zinc/14/67/27/343146727.db2.gz HWVUEHXNIIELKH-MRVPVSSYSA-N 0 0 242.300 2.495 20 5 BEBDRN O=[N+]([O-])c1sccc1N[C@H]1CCCOC1 ZINC000308898225 346930052 /nfs/dbraw/zinc/93/00/52/346930052.db2.gz AWHZRSHENDMLLU-ZETCQYMHSA-N 0 0 228.273 2.247 20 5 BEBDRN Cc1ccc(C(=O)NC[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000032381900 343234652 /nfs/dbraw/zinc/23/46/52/343234652.db2.gz RTOMKQRQAYPXLJ-MWLCHTKSSA-N 0 0 248.282 2.289 20 5 BEBDRN CO[C@H]1CCCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000609075202 343279682 /nfs/dbraw/zinc/27/96/82/343279682.db2.gz VFTWEWSLBXSLMV-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN CC(C)[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000060249682 343293701 /nfs/dbraw/zinc/29/37/01/343293701.db2.gz ZBLWSUXDGAAUIA-SSDOTTSWSA-N 0 0 242.300 2.431 20 5 BEBDRN CC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000335675891 136318841 /nfs/dbraw/zinc/31/88/41/136318841.db2.gz WRMIZVLTVRRXDT-UHFFFAOYSA-N 0 0 206.245 2.047 20 5 BEBDRN O=C(C1=CCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000335669417 136312591 /nfs/dbraw/zinc/31/25/91/136312591.db2.gz ZRAUIMIWWQUVAZ-UHFFFAOYSA-N 0 0 244.250 2.204 20 5 BEBDRN C[C@H]1CCC[C@H]1Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310282555 343410211 /nfs/dbraw/zinc/41/02/11/343410211.db2.gz WRZCZKWBWUEHMS-IONNQARKSA-N 0 0 236.275 2.173 20 5 BEBDRN C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000335698758 136327844 /nfs/dbraw/zinc/32/78/44/136327844.db2.gz HDARLFZQPVGDED-UWVGGRQHSA-N 0 0 248.282 2.323 20 5 BEBDRN COC[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000610076853 343498785 /nfs/dbraw/zinc/49/87/85/343498785.db2.gz DWGRPYUMWKSBTJ-QMMMGPOBSA-N 0 0 242.300 2.129 20 5 BEBDRN Cc1cc(C(=O)NCC2CCC2)cc([N+](=O)[O-])c1 ZINC000049158402 343593895 /nfs/dbraw/zinc/59/38/95/343593895.db2.gz XLPPFIAXKJNEAJ-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN C[C@H](O)C[C@H](C)Nc1sccc1[N+](=O)[O-] ZINC000309064759 349830068 /nfs/dbraw/zinc/83/00/68/349830068.db2.gz YSZTUCHMHPMAPL-BQBZGAKWSA-N 0 0 230.289 2.228 20 5 BEBDRN COCCCN(C)Cc1csc([N+](=O)[O-])c1 ZINC000066378553 343868238 /nfs/dbraw/zinc/86/82/38/343868238.db2.gz AFZYHLAJDRWWCF-UHFFFAOYSA-N 0 0 244.316 2.125 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]1C1CC1 ZINC000334528823 343890999 /nfs/dbraw/zinc/89/09/99/343890999.db2.gz WDJHGJHXRRWAQY-LBPRGKRZSA-N 0 0 246.266 2.219 20 5 BEBDRN Cc1c(C(=O)N2CC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000334650241 343895791 /nfs/dbraw/zinc/89/57/91/343895791.db2.gz GGIIFUDGFKQTIT-UHFFFAOYSA-N 0 0 246.266 2.139 20 5 BEBDRN O=[N+]([O-])c1ccnn1C[C@@H]1CCC(F)(F)C1 ZINC000334624781 343896549 /nfs/dbraw/zinc/89/65/49/343896549.db2.gz OYUZIJWCWIYJBE-SSDOTTSWSA-N 0 0 231.202 2.227 20 5 BEBDRN O=[N+]([O-])c1cnn(CC2=CCCCC2)c1 ZINC000334684096 343901773 /nfs/dbraw/zinc/90/17/73/343901773.db2.gz LPVQYRDJCKZIMM-UHFFFAOYSA-N 0 0 207.233 2.292 20 5 BEBDRN C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)[C@H]1C ZINC000335102123 343927733 /nfs/dbraw/zinc/92/77/33/343927733.db2.gz YBIJNJOQUGNFOE-BQBZGAKWSA-N 0 0 240.284 2.137 20 5 BEBDRN C[C@@H]1OCC[C@H]1Sc1cccnc1[N+](=O)[O-] ZINC000611086043 344246248 /nfs/dbraw/zinc/24/62/48/344246248.db2.gz AAXLIRBAFWSIAF-JGVFFNPUSA-N 0 0 240.284 2.259 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H](CO)CC2CC2)cc1 ZINC000611103999 344248958 /nfs/dbraw/zinc/24/89/58/344248958.db2.gz IQYVPUPXAMDKJH-NSHDSACASA-N 0 0 236.271 2.168 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCSCC2)c1 ZINC000088701337 344241512 /nfs/dbraw/zinc/24/15/12/344241512.db2.gz RTFCKOHSUKFNSL-UHFFFAOYSA-N 0 0 238.312 2.456 20 5 BEBDRN C[C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000601123993 344368699 /nfs/dbraw/zinc/36/86/99/344368699.db2.gz BADGKTZDCDQJFB-SFYZADRCSA-N 0 0 239.250 2.364 20 5 BEBDRN Cc1ccnc(S[C@@H](C)CCO)c1[N+](=O)[O-] ZINC000085143682 344503718 /nfs/dbraw/zinc/50/37/18/344503718.db2.gz YGHQXGNTGDGDME-QMMMGPOBSA-N 0 0 242.300 2.161 20 5 BEBDRN CC1(C)CN(c2sccc2[N+](=O)[O-])CCO1 ZINC000611289966 344448779 /nfs/dbraw/zinc/44/87/79/344448779.db2.gz JEAPFUUVKKNNHR-UHFFFAOYSA-N 0 0 242.300 2.272 20 5 BEBDRN C[C@@H]1CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000603267087 344472843 /nfs/dbraw/zinc/47/28/43/344472843.db2.gz PXHJVPJFZDRMBZ-SNVBAGLBSA-N 0 0 248.282 2.148 20 5 BEBDRN CSCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000085426904 344529642 /nfs/dbraw/zinc/52/96/42/344529642.db2.gz AZCHJQGRCOJYIF-UHFFFAOYSA-N 0 0 227.289 2.073 20 5 BEBDRN CO[C@@H]1CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000611412369 344536170 /nfs/dbraw/zinc/53/61/70/344536170.db2.gz RRHAWHCLVWFQPT-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN CN(c1ncc([N+](=O)[O-])cc1F)[C@H]1CC1(C)C ZINC000570932064 323074703 /nfs/dbraw/zinc/07/47/03/323074703.db2.gz LCVNQLNNGQTLGP-VIFPVBQESA-N 0 0 239.250 2.364 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000611413065 344643204 /nfs/dbraw/zinc/64/32/04/344643204.db2.gz WYBJVLACNLJCCL-OCAPTIKFSA-N 0 0 240.284 2.024 20 5 BEBDRN C[C@H](Nc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000082294130 344723789 /nfs/dbraw/zinc/72/37/89/344723789.db2.gz FQCOEDIDYCTXEK-QMMMGPOBSA-N 0 0 224.260 2.166 20 5 BEBDRN C[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C[C@@H]1F ZINC000611494106 344745820 /nfs/dbraw/zinc/74/58/20/344745820.db2.gz CVGZGXZGLFNXNH-BDAKNGLRSA-N 0 0 239.250 2.174 20 5 BEBDRN Cc1cc(C(=O)N2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000611513333 344749487 /nfs/dbraw/zinc/74/94/87/344749487.db2.gz ZGBHIZGIOAYQAR-UHFFFAOYSA-N 0 0 246.266 2.305 20 5 BEBDRN Cc1cc(Sc2ncc[nH]2)ncc1[N+](=O)[O-] ZINC000074767457 344755149 /nfs/dbraw/zinc/75/51/49/344755149.db2.gz PBVOKFSMFOCAOX-UHFFFAOYSA-N 0 0 236.256 2.173 20 5 BEBDRN CO[C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1 ZINC000076291143 344800121 /nfs/dbraw/zinc/80/01/21/344800121.db2.gz LIFQEHBNBJQTNX-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CCOCC2(CC2)C1 ZINC000611765357 344816778 /nfs/dbraw/zinc/81/67/78/344816778.db2.gz ZKLIZDRGHPNMFY-UHFFFAOYSA-N 0 0 248.282 2.212 20 5 BEBDRN C[C@@H](CNc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000077229074 344819186 /nfs/dbraw/zinc/81/91/86/344819186.db2.gz XHAJRFLSTQDCST-ZJUUUORDSA-N 0 0 238.287 2.414 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@H](F)C2)c(F)c1 ZINC000408467025 344826112 /nfs/dbraw/zinc/82/61/12/344826112.db2.gz KCRKRJAYKJDGTF-ZETCQYMHSA-N 0 0 243.213 2.067 20 5 BEBDRN C[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000408465569 344827680 /nfs/dbraw/zinc/82/76/80/344827680.db2.gz HMYVABMYUHBLQP-OCAPTIKFSA-N 0 0 239.250 2.221 20 5 BEBDRN Cc1cc(COc2cccc([N+](=O)[O-])c2)on1 ZINC000247906154 344833011 /nfs/dbraw/zinc/83/30/11/344833011.db2.gz JWKODPVHSINQMH-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN C[C@@H]1CN(c2ccccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000078331268 344847325 /nfs/dbraw/zinc/84/73/25/344847325.db2.gz IVVFNTHHVLVPED-NXEZZACHSA-N 0 0 236.271 2.208 20 5 BEBDRN CC(C)CN(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000078278858 344842335 /nfs/dbraw/zinc/84/23/35/344842335.db2.gz GSDKTWDBRWQKCY-UHFFFAOYSA-N 0 0 236.271 2.323 20 5 BEBDRN CCOCn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000612621687 344909810 /nfs/dbraw/zinc/90/98/10/344909810.db2.gz HXXWZWVQAYPFRY-UHFFFAOYSA-N 0 0 247.254 2.452 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCC2CC2)s1 ZINC000226774106 345039844 /nfs/dbraw/zinc/03/98/44/345039844.db2.gz MWBROKLYJDNOET-UHFFFAOYSA-N 0 0 213.262 2.263 20 5 BEBDRN CC1CC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000080041800 345083227 /nfs/dbraw/zinc/08/32/27/345083227.db2.gz IVSTUKDWTXODJY-UHFFFAOYSA-N 0 0 248.282 2.052 20 5 BEBDRN Cc1ccc(C(=O)NC2CC(C)C2)cc1[N+](=O)[O-] ZINC000080055205 345092530 /nfs/dbraw/zinc/09/25/30/345092530.db2.gz FVECTQMJYIKBRN-UHFFFAOYSA-N 0 0 248.282 2.432 20 5 BEBDRN COc1cc(F)c([N+](=O)[O-])c(NC2CC2)c1 ZINC000080530523 345282778 /nfs/dbraw/zinc/28/27/78/345282778.db2.gz PIMWEHORXJKOQL-UHFFFAOYSA-N 0 0 226.207 2.317 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[C@@H](C)O)c1 ZINC000158865902 345645028 /nfs/dbraw/zinc/64/50/28/345645028.db2.gz CKKJUSFZIGTKEK-NXEZZACHSA-N 0 0 238.287 2.475 20 5 BEBDRN CCOCCN(C)c1ccc([N+](=O)[O-])cc1 ZINC000092963243 345649728 /nfs/dbraw/zinc/64/97/28/345649728.db2.gz ZMMAHZOXZCDPJA-UHFFFAOYSA-N 0 0 224.260 2.068 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CCC(F)(F)C2)cc1 ZINC000149194910 345715215 /nfs/dbraw/zinc/71/52/15/345715215.db2.gz BFMPKZAYMBZNDA-UHFFFAOYSA-N 0 0 242.225 2.436 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC[C@@H](C)O)c1 ZINC000087150740 178929177 /nfs/dbraw/zinc/92/91/77/178929177.db2.gz KHXKPCIGRGOXDC-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cn(CCC(C)(F)F)nc1[N+](=O)[O-] ZINC000418968578 192092935 /nfs/dbraw/zinc/09/29/35/192092935.db2.gz CEXZQYZUFYQGJM-UHFFFAOYSA-N 0 0 219.191 2.145 20 5 BEBDRN CC1CC(Nc2ncc(F)cc2[N+](=O)[O-])C1 ZINC000401085866 346163876 /nfs/dbraw/zinc/16/38/76/346163876.db2.gz ARYITEJBATVRHH-UHFFFAOYSA-N 0 0 225.223 2.339 20 5 BEBDRN CC1(C)C[C@@H]1Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401087098 346164284 /nfs/dbraw/zinc/16/42/84/346164284.db2.gz BOHMTDZEYRVKOY-QMMMGPOBSA-N 0 0 225.223 2.339 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N1CCCCC1 ZINC000401098832 346178320 /nfs/dbraw/zinc/17/83/20/346178320.db2.gz MKPGIKZWARANAV-UHFFFAOYSA-N 0 0 225.223 2.119 20 5 BEBDRN O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]2C[C@H]21 ZINC000586897685 346166798 /nfs/dbraw/zinc/16/67/98/346166798.db2.gz FKBIDEGBSZXVMF-JOYOIKCWSA-N 0 0 246.266 2.219 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000401098163 346176181 /nfs/dbraw/zinc/17/61/81/346176181.db2.gz CJKJJESOIPTSFK-SRSLHRDFSA-N 0 0 237.234 2.339 20 5 BEBDRN CC[C@@]1(O)CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000614531991 346189680 /nfs/dbraw/zinc/18/96/80/346189680.db2.gz SWFPLTPIRATTDG-SNVBAGLBSA-N 0 0 242.300 2.008 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCCc1ccco1 ZINC000159290151 349957007 /nfs/dbraw/zinc/95/70/07/349957007.db2.gz AINFMNQZIHEETE-UHFFFAOYSA-N 0 0 233.227 2.237 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCC1(CCO)CC1 ZINC000309515672 347091532 /nfs/dbraw/zinc/09/15/32/347091532.db2.gz RKNNQBOABYTRKX-UHFFFAOYSA-N 0 0 242.300 2.231 20 5 BEBDRN CN(c1sccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000588066062 346630928 /nfs/dbraw/zinc/63/09/28/346630928.db2.gz HYDBYKAVUQQGJH-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H]3C[C@@H]32)s1 ZINC000588066792 346631788 /nfs/dbraw/zinc/63/17/88/346631788.db2.gz YHQWVRGZRLQPOM-RQJHMYQMSA-N 0 0 225.273 2.040 20 5 BEBDRN CO[C@H](C)CN(C)c1ccc([N+](=O)[O-])s1 ZINC000588082812 346632956 /nfs/dbraw/zinc/63/29/56/346632956.db2.gz PUOGKZUFLBESJM-SSDOTTSWSA-N 0 0 230.289 2.127 20 5 BEBDRN CO[C@@H](C)CN(C)c1ccsc1[N+](=O)[O-] ZINC000588082803 346633165 /nfs/dbraw/zinc/63/31/65/346633165.db2.gz LGSQVWAXJBMFHC-ZETCQYMHSA-N 0 0 230.289 2.127 20 5 BEBDRN Cc1cccc(NCCC[C@@H](C)O)c1[N+](=O)[O-] ZINC000227998659 179144469 /nfs/dbraw/zinc/14/44/69/179144469.db2.gz GYBICURONLYNGY-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cccc(NCc2ccnn2C)c1[N+](=O)[O-] ZINC000218833955 179149742 /nfs/dbraw/zinc/14/97/42/179149742.db2.gz VMYLEMNUVZGEMF-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1cccc(N[C@H]2CCO[C@@H]2C)c1[N+](=O)[O-] ZINC000218872541 179157959 /nfs/dbraw/zinc/15/79/59/179157959.db2.gz WMJOUMWPSCBRKY-ZJUUUORDSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cccc(OCC(=O)C(F)F)c1[N+](=O)[O-] ZINC000282681038 179163160 /nfs/dbraw/zinc/16/31/60/179163160.db2.gz WLAYGSRCZGJCMZ-UHFFFAOYSA-N 0 0 245.181 2.116 20 5 BEBDRN Cc1cccc(OCCn2nccc2[N+](=O)[O-])c1 ZINC000299058836 179171252 /nfs/dbraw/zinc/17/12/52/179171252.db2.gz VBQYZJCEGHUTTA-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCOC1 ZINC000122323416 179206198 /nfs/dbraw/zinc/20/61/98/179206198.db2.gz DUWODZIRDGGINR-SECBINFHSA-N 0 0 222.244 2.104 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NC[C@@H](C)CCO ZINC000097635735 179206262 /nfs/dbraw/zinc/20/62/62/179206262.db2.gz HWRCBSNAACPUMQ-VIFPVBQESA-N 0 0 238.287 2.334 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[C@@H]1C ZINC000294217543 179206286 /nfs/dbraw/zinc/20/62/86/179206286.db2.gz RFUUFHAEBJSHPJ-UWVGGRQHSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NC[C@H](O)C1CC1 ZINC000098000771 179206630 /nfs/dbraw/zinc/20/66/30/179206630.db2.gz YAIQLTSXLQPOBG-NSHDSACASA-N 0 0 236.271 2.086 20 5 BEBDRN O=[N+]([O-])c1ccc(Oc2cnccn2)cc1 ZINC000200760458 347408053 /nfs/dbraw/zinc/40/80/53/347408053.db2.gz HCEUJRMNNHSLQV-UHFFFAOYSA-N 0 0 217.184 2.177 20 5 BEBDRN COC(=O)CCCNc1sccc1[N+](=O)[O-] ZINC000590684129 347490580 /nfs/dbraw/zinc/49/05/80/347490580.db2.gz ZEUCZWXUICXTAV-UHFFFAOYSA-N 0 0 244.272 2.021 20 5 BEBDRN CC(C)C1CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000590695646 347491922 /nfs/dbraw/zinc/49/19/22/347491922.db2.gz YMFOWMAANUNOPB-UHFFFAOYSA-N 0 0 221.260 2.082 20 5 BEBDRN O=[N+]([O-])c1sccc1N1CC[C@H](F)C1 ZINC000590714150 347499476 /nfs/dbraw/zinc/49/94/76/347499476.db2.gz BZWBPLNGVRCKAX-LURJTMIESA-N 0 0 216.237 2.205 20 5 BEBDRN Cc1cc(N2CCC[C@@H]2CF)ncc1[N+](=O)[O-] ZINC000292835390 347516693 /nfs/dbraw/zinc/51/66/93/347516693.db2.gz QATAUTHQHZRJRI-SECBINFHSA-N 0 0 239.250 2.237 20 5 BEBDRN CC(=O)CSCCc1ccc([N+](=O)[O-])cc1 ZINC000176751156 365898295 /nfs/dbraw/zinc/89/82/95/365898295.db2.gz HHKBEUXIPSBMBU-UHFFFAOYSA-N 0 0 239.296 2.460 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC2CCC2)c(F)c1 ZINC000591138874 347620147 /nfs/dbraw/zinc/62/01/47/347620147.db2.gz GWOWRDZYFMGCTM-UHFFFAOYSA-N 0 0 225.223 2.341 20 5 BEBDRN C[C@H]1[C@@H](C)N(c2ncccc2[N+](=O)[O-])C[C@H]1C ZINC000591369025 347654741 /nfs/dbraw/zinc/65/47/41/347654741.db2.gz LZEWBWKCRKYAOP-OPRDCNLKSA-N 0 0 235.287 2.471 20 5 BEBDRN C[C@@H]1[C@H](C)CN(c2cccnc2[N+](=O)[O-])[C@H]1C ZINC000591368968 347654755 /nfs/dbraw/zinc/65/47/55/347654755.db2.gz CEOXZUBQTWYRRI-BBBLOLIVSA-N 0 0 235.287 2.471 20 5 BEBDRN CCOc1cc(N2CC=CC2)ccc1[N+](=O)[O-] ZINC000593480403 347896224 /nfs/dbraw/zinc/89/62/24/347896224.db2.gz WTFAEFUAOLTLKQ-UHFFFAOYSA-N 0 0 234.255 2.370 20 5 BEBDRN COCC1(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000594591271 348079191 /nfs/dbraw/zinc/07/91/91/348079191.db2.gz AXGSDXXNBIXMBE-UHFFFAOYSA-N 0 0 236.271 2.433 20 5 BEBDRN COCC1(CNc2ccsc2[N+](=O)[O-])CC1 ZINC000594592675 348079971 /nfs/dbraw/zinc/07/99/71/348079971.db2.gz RWSBTVNRRXFJFA-UHFFFAOYSA-N 0 0 242.300 2.495 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1NCC[C@@H](C)O ZINC000594701714 348102514 /nfs/dbraw/zinc/10/25/14/348102514.db2.gz TYYPUABDIXDSRQ-SNVBAGLBSA-N 0 0 238.287 2.394 20 5 BEBDRN CC(C)=CCCn1cc([N+](=O)[O-])ccc1=O ZINC000594879945 348119317 /nfs/dbraw/zinc/11/93/17/348119317.db2.gz CYWQOCAJGJAAHS-UHFFFAOYSA-N 0 0 222.244 2.113 20 5 BEBDRN O=[N+]([O-])c1ccnn1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000594886063 348121156 /nfs/dbraw/zinc/12/11/56/348121156.db2.gz MIXRZJKOHBPXDS-KXUCPTDWSA-N 0 0 221.260 2.228 20 5 BEBDRN O=[N+]([O-])c1cnn(CCOCc2ccccc2)c1 ZINC000594892088 348125960 /nfs/dbraw/zinc/12/59/60/348125960.db2.gz WWZKZSJCVHOWQZ-UHFFFAOYSA-N 0 0 247.254 2.008 20 5 BEBDRN O=[N+]([O-])c1cccc(-n2cc(C3CC3)nn2)c1 ZINC000594640076 348097091 /nfs/dbraw/zinc/09/70/91/348097091.db2.gz GUEGWXQQNZKUST-UHFFFAOYSA-N 0 0 230.227 2.053 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(OCC(F)F)c1C ZINC000594902638 348133384 /nfs/dbraw/zinc/13/33/84/348133384.db2.gz FRWQQNJKDRCYCQ-UHFFFAOYSA-N 0 0 232.186 2.251 20 5 BEBDRN Cc1nn(Cc2cc(C3CC3)no2)cc1[N+](=O)[O-] ZINC000594897331 348130448 /nfs/dbraw/zinc/13/04/48/348130448.db2.gz KNRHDGSKJBHRAC-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN CN(Cc1ccc(F)cc1[N+](=O)[O-])CC(F)F ZINC000595306026 348222554 /nfs/dbraw/zinc/22/25/54/348222554.db2.gz GDHBXHLKFFGSIF-UHFFFAOYSA-N 0 0 248.204 2.431 20 5 BEBDRN Cc1noc(CN2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000595392221 348236799 /nfs/dbraw/zinc/23/67/99/348236799.db2.gz HKVAOHUPYUEKSY-UHFFFAOYSA-N 0 0 237.259 2.043 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H](F)C1 ZINC000595513914 348267151 /nfs/dbraw/zinc/26/71/51/348267151.db2.gz HTHJRLWFYAMQIW-JTQLQIEISA-N 0 0 242.225 2.278 20 5 BEBDRN Cc1nn(Cc2ncccc2C)c(C)c1[N+](=O)[O-] ZINC000092849894 179387403 /nfs/dbraw/zinc/38/74/03/179387403.db2.gz FLSLJEAZLIHQSB-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595807794 348348956 /nfs/dbraw/zinc/34/89/56/348348956.db2.gz AORAGGZSLBGASI-NXEZZACHSA-N 0 0 248.282 2.142 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H](C)[C@@H]2C)n1 ZINC000596246006 348486429 /nfs/dbraw/zinc/48/64/29/348486429.db2.gz CXHLNTHEAGYECB-WPRPVWTQSA-N 0 0 235.287 2.451 20 5 BEBDRN Cc1cc(N2CCCOCC2)c([N+](=O)[O-])s1 ZINC000596117758 348442486 /nfs/dbraw/zinc/44/24/86/348442486.db2.gz IYJYCLBQHALLBU-UHFFFAOYSA-N 0 0 242.300 2.191 20 5 BEBDRN COCCCN(C)c1cc(C)sc1[N+](=O)[O-] ZINC000596093987 348444999 /nfs/dbraw/zinc/44/49/99/348444999.db2.gz LSQOTODWJKXQKF-UHFFFAOYSA-N 0 0 244.316 2.437 20 5 BEBDRN CC1(C)C[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596124671 348446302 /nfs/dbraw/zinc/44/63/02/348446302.db2.gz ZAZNVDSQLSKOJT-ZETCQYMHSA-N 0 0 237.259 2.153 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1C[C@@H]2CCCC[C@@H]21 ZINC000596294485 348489910 /nfs/dbraw/zinc/48/99/10/348489910.db2.gz KSMSSTBCMZGFKP-UWVGGRQHSA-N 0 0 233.271 2.369 20 5 BEBDRN Cc1cc(S[C@@H](C)CO)c([N+](=O)[O-])s1 ZINC000596145376 348450664 /nfs/dbraw/zinc/45/06/64/348450664.db2.gz RVXVPAGWZBSORZ-LURJTMIESA-N 0 0 233.314 2.438 20 5 BEBDRN O=c1[nH]ccc(N2CCC3(CCC3)C2)c1[N+](=O)[O-] ZINC000596163146 348459758 /nfs/dbraw/zinc/45/97/58/348459758.db2.gz PTHIAOCMXDZXNY-UHFFFAOYSA-N 0 0 249.270 2.076 20 5 BEBDRN CC(C)c1ncn(Cc2ccccc2[N+](=O)[O-])n1 ZINC000596303966 348491194 /nfs/dbraw/zinc/49/11/94/348491194.db2.gz HBUILIJQIIZTRB-UHFFFAOYSA-N 0 0 246.270 2.358 20 5 BEBDRN CC(C)=CCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596207621 348466272 /nfs/dbraw/zinc/46/62/72/348466272.db2.gz LPUSDDVTHUGCCU-UHFFFAOYSA-N 0 0 249.270 2.072 20 5 BEBDRN CC(C)=CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596206704 348466441 /nfs/dbraw/zinc/46/64/41/348466441.db2.gz IDOFSYGLFUOFHG-UHFFFAOYSA-N 0 0 237.259 2.464 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@H](C)[C@H]1C ZINC000596250928 348473597 /nfs/dbraw/zinc/47/35/97/348473597.db2.gz WGPUJGVWKQKYNV-DTWKUNHWSA-N 0 0 221.260 2.143 20 5 BEBDRN Cc1nc(N2C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000596251888 348474100 /nfs/dbraw/zinc/47/41/00/348474100.db2.gz YPLYLJVRYWWFMV-IONNQARKSA-N 0 0 221.260 2.143 20 5 BEBDRN O=c1[nH]ccc(N[C@H]2CCC[C@@H]3C[C@@H]32)c1[N+](=O)[O-] ZINC000596269115 348480920 /nfs/dbraw/zinc/48/09/20/348480920.db2.gz FZBBQOOCBNHLTF-VGMNWLOBSA-N 0 0 249.270 2.296 20 5 BEBDRN CC[C@H](C)CCNc1c([N+](=O)[O-])c(C)nn1C ZINC000596416131 348540537 /nfs/dbraw/zinc/54/05/37/348540537.db2.gz PQIJSGMZTXHKPA-QMMMGPOBSA-N 0 0 240.307 2.485 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@]23C[C@H]2CCC3)s1 ZINC000596316875 348505432 /nfs/dbraw/zinc/50/54/32/348505432.db2.gz NWXHUGQHDRVYIO-HZGVNTEJSA-N 0 0 225.273 2.406 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@@H](CO)C1CCC1 ZINC000596323884 348507494 /nfs/dbraw/zinc/50/74/94/348507494.db2.gz BKMJXIMWYDCLLF-NSHDSACASA-N 0 0 236.271 2.168 20 5 BEBDRN CN(C[C@@H]1CC1(C)C)c1ccncc1[N+](=O)[O-] ZINC000596565556 348580380 /nfs/dbraw/zinc/58/03/80/348580380.db2.gz AGAIODIJUQNHJW-VIFPVBQESA-N 0 0 235.287 2.472 20 5 BEBDRN CN(C[C@H]1CC1(C)C)c1ncccc1[N+](=O)[O-] ZINC000596566076 348580465 /nfs/dbraw/zinc/58/04/65/348580465.db2.gz DTQZKSDGSPRWIT-SECBINFHSA-N 0 0 235.287 2.472 20 5 BEBDRN CN(C[C@H]1CC1(C)C)c1ccc([N+](=O)[O-])nc1 ZINC000596566170 348580704 /nfs/dbraw/zinc/58/07/04/348580704.db2.gz YNUPYOUWYXZKGX-SECBINFHSA-N 0 0 235.287 2.472 20 5 BEBDRN CO[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000596539721 348583138 /nfs/dbraw/zinc/58/31/38/348583138.db2.gz LULFKXUQPHZBQA-MNOVXSKESA-N 0 0 222.244 2.184 20 5 BEBDRN Cc1ccnc(N2CC3CC2(C)C3)c1[N+](=O)[O-] ZINC000596575314 348591727 /nfs/dbraw/zinc/59/17/27/348591727.db2.gz PCVVTCQFPLOMSU-UHFFFAOYSA-N 0 0 233.271 2.287 20 5 BEBDRN C[C@]1(CNc2ccc([N+](=O)[O-])nc2)CC1(F)F ZINC000596475731 348554388 /nfs/dbraw/zinc/55/43/88/348554388.db2.gz CMDMLSJFDVRIMB-SECBINFHSA-N 0 0 243.213 2.447 20 5 BEBDRN O=[N+]([O-])c1cnccc1NCCCc1ccco1 ZINC000596533362 348570353 /nfs/dbraw/zinc/57/03/53/348570353.db2.gz MTCBCSQWGWIDNM-UHFFFAOYSA-N 0 0 247.254 2.049 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@@H]1C[C@H](O)C12CCC2 ZINC000596514683 348575422 /nfs/dbraw/zinc/57/54/22/348575422.db2.gz XZBCVCAIYYSQGT-NEPJUHHUSA-N 0 0 248.282 2.310 20 5 BEBDRN O=c1[nH]ccc(NCC2=CCCC2)c1[N+](=O)[O-] ZINC000596517398 348576141 /nfs/dbraw/zinc/57/61/41/348576141.db2.gz HHHCBFVPYBQBDG-UHFFFAOYSA-N 0 0 235.243 2.218 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CO[C@H](C)C2)c1 ZINC000401903179 348652917 /nfs/dbraw/zinc/65/29/17/348652917.db2.gz GHQDNUSFWBEEBQ-ZJUUUORDSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cnc(N2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000267602247 179623315 /nfs/dbraw/zinc/62/33/15/179623315.db2.gz FPPJTJHTKDZAEB-AOOOYVTPSA-N 0 0 235.287 2.390 20 5 BEBDRN Cc1cnc(N[C@H](C)CF)c([N+](=O)[O-])c1 ZINC000288188105 179641253 /nfs/dbraw/zinc/64/12/53/179641253.db2.gz JODNUYDOYGHBLU-SSDOTTSWSA-N 0 0 213.212 2.068 20 5 BEBDRN C[C@@H]1C[C@@H](Nc2c(F)cccc2[N+](=O)[O-])CO1 ZINC000401976910 349002744 /nfs/dbraw/zinc/00/27/44/349002744.db2.gz WBNGFSWWQHHOTQ-HTQZYQBOSA-N 0 0 240.234 2.323 20 5 BEBDRN O=C(NCC1=CCCC1)c1ccccc1[N+](=O)[O-] ZINC000598377014 348952162 /nfs/dbraw/zinc/95/21/62/348952162.db2.gz QRCBCDDZWDLTHL-UHFFFAOYSA-N 0 0 246.266 2.435 20 5 BEBDRN C[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])CO1 ZINC000401974780 349000358 /nfs/dbraw/zinc/00/03/58/349000358.db2.gz RVXLHVYORJXLEY-CBAPKCEASA-N 0 0 240.234 2.323 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NCC1CC(C)C1 ZINC000598643014 349008802 /nfs/dbraw/zinc/00/88/02/349008802.db2.gz LTXKRCNCLRPFCP-UHFFFAOYSA-N 0 0 235.287 2.178 20 5 BEBDRN CO[C@@H](C)CCNc1ccc([N+](=O)[O-])s1 ZINC000308898715 349056642 /nfs/dbraw/zinc/05/66/42/349056642.db2.gz AUVKFXIREHMZJT-ZETCQYMHSA-N 0 0 230.289 2.493 20 5 BEBDRN Cc1cccc(N[C@@H]2CO[C@H](C)C2)c1[N+](=O)[O-] ZINC000402017927 349147106 /nfs/dbraw/zinc/14/71/06/349147106.db2.gz DJMVCLSAXZNUCI-ZJUUUORDSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1ccc(NC[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599174869 349112677 /nfs/dbraw/zinc/11/26/77/349112677.db2.gz IXSSACLWGOTYFC-AOOOYVTPSA-N 0 0 236.271 2.086 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[C@@H](O)C2)c1 ZINC000599174958 349112795 /nfs/dbraw/zinc/11/27/95/349112795.db2.gz NVSDZCCZWFDWKN-AOOOYVTPSA-N 0 0 236.271 2.086 20 5 BEBDRN CO[C@H]1C[C@H](Nc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000599189690 349114736 /nfs/dbraw/zinc/11/47/36/349114736.db2.gz LDAKCZWNYGMOLK-MGCOHNPYSA-N 0 0 236.271 2.493 20 5 BEBDRN CC(C)[C@H](O)CNc1ccc([N+](=O)[O-])s1 ZINC000309023233 349316346 /nfs/dbraw/zinc/31/63/46/349316346.db2.gz YMQJWNRLXOKJAT-SSDOTTSWSA-N 0 0 230.289 2.085 20 5 BEBDRN C[C@@H](O)C[C@@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000309034769 349369775 /nfs/dbraw/zinc/36/97/75/349369775.db2.gz HKQMYRZKMUUVSJ-RNFRBKRXSA-N 0 0 230.289 2.228 20 5 BEBDRN CN(Cc1cccnc1)c1cccnc1[N+](=O)[O-] ZINC000603837197 350043367 /nfs/dbraw/zinc/04/33/67/350043367.db2.gz FHFIKIBMOSXYNZ-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN Cc1nc(CNc2ccc([N+](=O)[O-])cn2)oc1C ZINC000048837325 179976181 /nfs/dbraw/zinc/97/61/81/179976181.db2.gz BQNUZJRBAZFUTP-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1nc(NC(=O)C2(C)CCC2)ccc1[N+](=O)[O-] ZINC000133700164 180005552 /nfs/dbraw/zinc/00/55/52/180005552.db2.gz DMVOQNAKSUCTDU-UHFFFAOYSA-N 0 0 249.270 2.427 20 5 BEBDRN Cc1nc(NC(=O)[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000156728733 180010788 /nfs/dbraw/zinc/01/07/88/180010788.db2.gz KMVUCDPTSGTWBR-QMMMGPOBSA-N 0 0 249.270 2.283 20 5 BEBDRN Cc1nc(NC(=O)[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000133927064 180012472 /nfs/dbraw/zinc/01/24/72/180012472.db2.gz PLFTWIHHWUVKTB-SSDOTTSWSA-N 0 0 249.270 2.283 20 5 BEBDRN Cc1nc(NC[C@@H]2C[C@H]2C)ccc1[N+](=O)[O-] ZINC000131240205 180019592 /nfs/dbraw/zinc/01/95/92/180019592.db2.gz JCTIVIYIHFNXJA-APPZFPTMSA-N 0 0 221.260 2.366 20 5 BEBDRN Cc1nc(S[C@H](C)[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000230185761 180033212 /nfs/dbraw/zinc/03/32/12/180033212.db2.gz KOQDNLSDMAZNSM-HTQZYQBOSA-N 0 0 242.300 2.160 20 5 BEBDRN C[C@H]1CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000604403180 350127102 /nfs/dbraw/zinc/12/71/02/350127102.db2.gz SHYFUTWJMGFRGC-ZETCQYMHSA-N 0 0 210.208 2.333 20 5 BEBDRN CC(C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000121707666 191072346 /nfs/dbraw/zinc/07/23/46/191072346.db2.gz CNROFHYUBOSFKM-MRVPVSSYSA-N 0 0 240.259 2.352 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCCCCF ZINC000330502902 180175752 /nfs/dbraw/zinc/17/57/52/180175752.db2.gz XYTFQFMVUBVRFU-UHFFFAOYSA-N 0 0 215.228 2.240 20 5 BEBDRN Cc1nccc(Oc2cccc([N+](=O)[O-])c2)n1 ZINC000360929425 180207583 /nfs/dbraw/zinc/20/75/83/180207583.db2.gz DORLJHSEDOKTRB-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN Cc1nccc(Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000360926666 180207655 /nfs/dbraw/zinc/20/76/55/180207655.db2.gz XBVMKGHKXLZYMS-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@@H]1CCCOC1 ZINC000038046426 350303710 /nfs/dbraw/zinc/30/37/10/350303710.db2.gz YNYZKNATFVBCMK-JTQLQIEISA-N 0 0 236.271 2.433 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2cc[nH]n2)c(F)c1 ZINC000040444298 350364220 /nfs/dbraw/zinc/36/42/20/350364220.db2.gz KABCLRWREODRQZ-UHFFFAOYSA-N 0 0 236.206 2.069 20 5 BEBDRN CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000050823092 350392419 /nfs/dbraw/zinc/39/24/19/350392419.db2.gz VYWIRMKCIBRJMM-UHFFFAOYSA-N 0 0 245.238 2.200 20 5 BEBDRN O=[N+]([O-])c1c(Cl)nccc1OC1CC1 ZINC000095735493 187456172 /nfs/dbraw/zinc/45/61/72/187456172.db2.gz XZOUDQAOJQIRGM-UHFFFAOYSA-N 0 0 214.608 2.184 20 5 BEBDRN CCCCNc1ncc(F)cc1[N+](=O)[O-] ZINC000401107066 362974329 /nfs/dbraw/zinc/97/43/29/362974329.db2.gz RJSKWGPJODXMBA-UHFFFAOYSA-N 0 0 213.212 2.341 20 5 BEBDRN CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000051405329 350718786 /nfs/dbraw/zinc/71/87/86/350718786.db2.gz PCHQUSHZJWHWGE-UHFFFAOYSA-N 0 0 235.243 2.221 20 5 BEBDRN COCCSc1c(F)cccc1[N+](=O)[O-] ZINC000342846847 350778514 /nfs/dbraw/zinc/77/85/14/350778514.db2.gz JSSHATDYJMAASA-UHFFFAOYSA-N 0 0 231.248 2.472 20 5 BEBDRN CCOC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342854590 350779732 /nfs/dbraw/zinc/77/97/32/350779732.db2.gz BLKGOIFMHDAQSI-UHFFFAOYSA-N 0 0 234.211 2.253 20 5 BEBDRN CCOC(C)(C)CNc1cccnc1[N+](=O)[O-] ZINC000159551107 350891124 /nfs/dbraw/zinc/89/11/24/350891124.db2.gz PZXYKWQBWDAJPE-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN C[C@@H]1CC[C@H](C)N1c1ccc([N+](=O)[O-])nc1 ZINC000343465855 350971558 /nfs/dbraw/zinc/97/15/58/350971558.db2.gz MVEAWOPMTXIRBC-DTORHVGOSA-N 0 0 221.260 2.367 20 5 BEBDRN Cc1nc(N[C@@H]2C[C@H]2C(F)F)ccc1[N+](=O)[O-] ZINC000343820136 350992894 /nfs/dbraw/zinc/99/28/94/350992894.db2.gz WXKDWRULFDKCAH-RNFRBKRXSA-N 0 0 243.213 2.364 20 5 BEBDRN CC(C)[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000343903345 350996844 /nfs/dbraw/zinc/99/68/44/350996844.db2.gz YRAYIXTXJGJOSP-JTQLQIEISA-N 0 0 235.287 2.472 20 5 BEBDRN C[C@H]1CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000343985424 351006013 /nfs/dbraw/zinc/00/60/13/351006013.db2.gz NZEQNZVVKXFEQK-CABZTGNLSA-N 0 0 248.282 2.052 20 5 BEBDRN CCN(C[C@H](C)O)c1cc(C)ccc1[N+](=O)[O-] ZINC000343272386 350954453 /nfs/dbraw/zinc/95/44/53/350954453.db2.gz QJSVLLUOIVJHCB-JTQLQIEISA-N 0 0 238.287 2.110 20 5 BEBDRN CC1(C)[C@H](O)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000129277535 351023584 /nfs/dbraw/zinc/02/35/84/351023584.db2.gz FMMQVQPAFRPCTD-WDEREUQCSA-N 0 0 236.271 2.166 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCCC(F)(F)F ZINC000063100629 351125198 /nfs/dbraw/zinc/12/51/98/351125198.db2.gz UZKVPMWVVZKNDY-UHFFFAOYSA-N 0 0 235.165 2.354 20 5 BEBDRN CC(C)[C@H](O)CCNc1sccc1[N+](=O)[O-] ZINC000302048002 187474331 /nfs/dbraw/zinc/47/43/31/187474331.db2.gz YZMJZHZTVGCRRM-SECBINFHSA-N 0 0 244.316 2.475 20 5 BEBDRN CCC[C@H](CC)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000344525874 351157248 /nfs/dbraw/zinc/15/72/48/351157248.db2.gz NZBUEJKSAQORGY-QMMMGPOBSA-N 0 0 239.275 2.231 20 5 BEBDRN CCC[C@@H](CC)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000344534653 351158766 /nfs/dbraw/zinc/15/87/66/351158766.db2.gz PEFKHKHNHPAKDW-MRVPVSSYSA-N 0 0 239.275 2.231 20 5 BEBDRN Cc1cccc(NC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000218842232 191132110 /nfs/dbraw/zinc/13/21/10/191132110.db2.gz PLMGKHLPXLXEKQ-JTQLQIEISA-N 0 0 236.271 2.352 20 5 BEBDRN CN(Cc1ncc[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000617451001 351367521 /nfs/dbraw/zinc/36/75/21/351367521.db2.gz BGHHEWQTXFOCFR-UHFFFAOYSA-N 0 0 238.272 2.016 20 5 BEBDRN CC[C@H](Nc1cc(C)ccc1[N+](=O)[O-])[C@H](C)O ZINC000386654416 363024360 /nfs/dbraw/zinc/02/43/60/363024360.db2.gz CHVHMDMOORPLGS-UWVGGRQHSA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCCn1cccn1 ZINC000063537493 351398468 /nfs/dbraw/zinc/39/84/68/351398468.db2.gz YQRMRSBJZUINHU-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CCC12CCOCC2 ZINC000366795789 351348062 /nfs/dbraw/zinc/34/80/62/351348062.db2.gz QGKSKTZQLDUEKW-UHFFFAOYSA-N 0 0 248.282 2.354 20 5 BEBDRN CC[C@H](Nc1ccc([N+](=O)[O-])cc1F)[C@H](C)O ZINC000386739328 363036440 /nfs/dbraw/zinc/03/64/40/363036440.db2.gz CZUJTWWUNFVZSA-XVKPBYJWSA-N 0 0 242.250 2.305 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC12CCCC2 ZINC000386849766 363052723 /nfs/dbraw/zinc/05/27/23/363052723.db2.gz AQUBFIOWNSTNBC-MRVPVSSYSA-N 0 0 236.275 2.073 20 5 BEBDRN CC(=O)[C@@H](C)Oc1cc(F)ccc1[N+](=O)[O-] ZINC000037974462 187762979 /nfs/dbraw/zinc/76/29/79/187762979.db2.gz RLSRQEXLXXLAEU-SSDOTTSWSA-N 0 0 227.191 2.090 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1NCCCCCO ZINC000228724847 187835452 /nfs/dbraw/zinc/83/54/52/187835452.db2.gz HHXDHOYUOIJCFE-UHFFFAOYSA-N 0 0 242.250 2.308 20 5 BEBDRN CC1(C)C[C@@H]1Nc1ccc(N)cc1[N+](=O)[O-] ZINC000286531413 187872081 /nfs/dbraw/zinc/87/20/81/187872081.db2.gz YFALKYWFHAXTAC-JTQLQIEISA-N 0 0 221.260 2.387 20 5 BEBDRN CC(C)C[C@@H](C)Cn1cc([N+](=O)[O-])cn1 ZINC000281048616 187854095 /nfs/dbraw/zinc/85/40/95/187854095.db2.gz SCVOEQSZHBHCGG-SECBINFHSA-N 0 0 211.265 2.474 20 5 BEBDRN C[C@@H]1CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000356725254 188065508 /nfs/dbraw/zinc/06/55/08/188065508.db2.gz KTJSABOCHGRAHH-SKDRFNHKSA-N 0 0 248.282 2.052 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(NC[C@H](C)OC)c1 ZINC000224351841 188080567 /nfs/dbraw/zinc/08/05/67/188080567.db2.gz MRVSRUNFMWNFSO-QMMMGPOBSA-N 0 0 240.259 2.050 20 5 BEBDRN CC[C@H]1CCC[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC000274023852 188091651 /nfs/dbraw/zinc/09/16/51/188091651.db2.gz WHLXMXSWPSGHSN-WCBMZHEXSA-N 0 0 236.275 2.375 20 5 BEBDRN CC(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000040779274 188118555 /nfs/dbraw/zinc/11/85/55/188118555.db2.gz IOVYRIUXLURZTJ-LLVKDONJSA-N 0 0 238.287 2.414 20 5 BEBDRN Cc1ccc(NCC2(O)CCC2)c([N+](=O)[O-])c1 ZINC000223244579 188148767 /nfs/dbraw/zinc/14/87/67/188148767.db2.gz AQEKCGYUEHSBKG-UHFFFAOYSA-N 0 0 236.271 2.230 20 5 BEBDRN CC1(C)C[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266121412 188195689 /nfs/dbraw/zinc/19/56/89/188195689.db2.gz WHJDZJJHUGLYSZ-LLVKDONJSA-N 0 0 248.282 2.052 20 5 BEBDRN CCc1nc(Cc2cccc([N+](=O)[O-])c2C)no1 ZINC000357319592 353247615 /nfs/dbraw/zinc/24/76/15/353247615.db2.gz VJCXLVIUZOXTQQ-UHFFFAOYSA-N 0 0 247.254 2.439 20 5 BEBDRN C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)[C@H]1C ZINC000294426465 188212551 /nfs/dbraw/zinc/21/25/51/188212551.db2.gz ZOPMALHRQVRURH-RQJHMYQMSA-N 0 0 240.284 2.137 20 5 BEBDRN C[C@](CO)(Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000091486030 353408644 /nfs/dbraw/zinc/40/86/44/353408644.db2.gz AFLGPNFRMJUBFI-GFCCVEGCSA-N 0 0 236.271 2.168 20 5 BEBDRN CCN(C(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000193391537 353588170 /nfs/dbraw/zinc/58/81/70/353588170.db2.gz KXAIGCRRIRLIOH-UHFFFAOYSA-N 0 0 240.284 2.281 20 5 BEBDRN CC1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000299091047 188574493 /nfs/dbraw/zinc/57/44/93/188574493.db2.gz UMMYAOSGDLAMAP-SSDOTTSWSA-N 0 0 240.284 2.185 20 5 BEBDRN CC1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000344046055 354120078 /nfs/dbraw/zinc/12/00/78/354120078.db2.gz JZJITNZUIFJNQG-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC(C)(F)C2)c1 ZINC000619500513 358483998 /nfs/dbraw/zinc/48/39/98/358483998.db2.gz HEDHQQGNDPNNKR-UHFFFAOYSA-N 0 0 224.235 2.451 20 5 BEBDRN C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000335922609 134014571 /nfs/dbraw/zinc/01/45/71/134014571.db2.gz ZAVUEJSJNWDHJY-SSDOTTSWSA-N 0 0 240.284 2.138 20 5 BEBDRN O=[N+]([O-])c1cnccc1Oc1cncc(F)c1 ZINC001640549404 1172177412 /nfs/dbraw/zinc/17/74/12/1172177412.db2.gz XPXSAJKXBUZHSZ-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN CSCCCNc1ncc([N+](=O)[O-])cc1F ZINC000413152602 191356440 /nfs/dbraw/zinc/35/64/40/191356440.db2.gz CYUAQKJZBYVSCH-UHFFFAOYSA-N 0 0 245.279 2.294 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCSC2)c(F)c1 ZINC000413168667 191360131 /nfs/dbraw/zinc/36/01/31/191360131.db2.gz MYRUZHZAOJNERD-ZCFIWIBFSA-N 0 0 243.263 2.046 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CC(CF)C1 ZINC000413503563 191385626 /nfs/dbraw/zinc/38/56/26/191385626.db2.gz PEQUXYSCOQTFOV-UHFFFAOYSA-N 0 0 245.641 2.049 20 5 BEBDRN O=[N+]([O-])c1ccc2ccnc(N3CCCO3)c2c1 ZINC000413244734 191365740 /nfs/dbraw/zinc/36/57/40/191365740.db2.gz NATAHAHZZHHROQ-UHFFFAOYSA-N 0 0 245.238 2.285 20 5 BEBDRN CCN(CC(F)F)c1ncc([N+](=O)[O-])cc1F ZINC000413244398 191365800 /nfs/dbraw/zinc/36/58/00/191365800.db2.gz YWYOGNHNAFACPE-UHFFFAOYSA-N 0 0 249.192 2.220 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000413263574 191366831 /nfs/dbraw/zinc/36/68/31/191366831.db2.gz IJMRHDMTBREJEV-MBTKJCJQSA-N 0 0 237.234 2.339 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H]2CF)c(F)c1 ZINC000413303257 191370587 /nfs/dbraw/zinc/37/05/87/191370587.db2.gz VQYZZKUZKWHUFW-SSDOTTSWSA-N 0 0 243.213 2.067 20 5 BEBDRN CCC1(Nc2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413313267 191371911 /nfs/dbraw/zinc/37/19/11/191371911.db2.gz KVMZPKLILFBVNF-UHFFFAOYSA-N 0 0 225.223 2.483 20 5 BEBDRN CC(C)[C@H]1CCN1c1ncc([N+](=O)[O-])cc1F ZINC000413318984 191372268 /nfs/dbraw/zinc/37/22/68/191372268.db2.gz OBDZIZCGQYHNEY-SNVBAGLBSA-N 0 0 239.250 2.364 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2CCCS2)cn1 ZINC000087475344 355288710 /nfs/dbraw/zinc/28/87/10/355288710.db2.gz SMFGJKAIRUGQJZ-SECBINFHSA-N 0 0 239.300 2.297 20 5 BEBDRN O=[N+]([O-])c1cccc(OCC2(O)CCCC2)c1 ZINC000087464087 355284791 /nfs/dbraw/zinc/28/47/91/355284791.db2.gz SPWHKUQGRAYXOD-UHFFFAOYSA-N 0 0 237.255 2.279 20 5 BEBDRN CCOCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000087543394 355365439 /nfs/dbraw/zinc/36/54/39/355365439.db2.gz RHBVMIBAPZBPCX-UHFFFAOYSA-N 0 0 215.180 2.107 20 5 BEBDRN COCCCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000349917906 355526572 /nfs/dbraw/zinc/52/65/72/355526572.db2.gz UCZPZXJSSDHGOB-UHFFFAOYSA-N 0 0 246.650 2.059 20 5 BEBDRN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000032516995 355526978 /nfs/dbraw/zinc/52/69/78/355526978.db2.gz JUNUGNACPKVQHV-WCBMZHEXSA-N 0 0 234.255 2.498 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@H]1C ZINC000032517094 355527292 /nfs/dbraw/zinc/52/72/92/355527292.db2.gz XFJZROQNCNRVFK-WPRPVWTQSA-N 0 0 234.255 2.498 20 5 BEBDRN O=[N+]([O-])c1cnccc1NCCC1(F)CCC1 ZINC000340887632 191688531 /nfs/dbraw/zinc/68/85/31/191688531.db2.gz XCAKXHVVXIRJHO-UHFFFAOYSA-N 0 0 239.250 2.106 20 5 BEBDRN C[C@H](Nc1ncccc1[N+](=O)[O-])C1CC1 ZINC000035135065 355842308 /nfs/dbraw/zinc/84/23/08/355842308.db2.gz GJBJKYPCUIXLIK-ZETCQYMHSA-N 0 0 207.233 2.200 20 5 BEBDRN CCc1noc(-c2ccc([N+](=O)[O-])cc2OC)n1 ZINC000345699280 355871068 /nfs/dbraw/zinc/87/10/68/355871068.db2.gz UAEXAAMJWKNGES-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN C[C@@H](N(C)c1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000609586224 355925285 /nfs/dbraw/zinc/92/52/85/355925285.db2.gz UITFPKWIQIUJOX-MRVPVSSYSA-N 0 0 240.307 2.199 20 5 BEBDRN O=[N+]([O-])c1ccc(OCc2cnns2)cc1 ZINC000352161126 134089962 /nfs/dbraw/zinc/08/99/62/134089962.db2.gz ULHYSICTBJYEBI-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CC[C@H]3C[C@H]3C2)nc1 ZINC000403219665 356423653 /nfs/dbraw/zinc/42/36/53/356423653.db2.gz KINXUPGYPDERAV-OUAUKWLOSA-N 0 0 247.298 2.260 20 5 BEBDRN CC(C)(CO)CNc1ccc([N+](=O)[O-])cc1 ZINC000088170395 356573585 /nfs/dbraw/zinc/57/35/85/356573585.db2.gz QOZLRVYIPGDGRM-UHFFFAOYSA-N 0 0 224.260 2.025 20 5 BEBDRN CCCn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000162986007 202129604 /nfs/dbraw/zinc/12/96/04/202129604.db2.gz VBJZJOCXOHWMBI-UHFFFAOYSA-N 0 0 232.243 2.263 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H](C)CO)c1 ZINC000088725095 356795362 /nfs/dbraw/zinc/79/53/62/356795362.db2.gz OPGHJGRUSGJZMB-UWVGGRQHSA-N 0 0 238.287 2.332 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CC1(C)C ZINC000450488857 202181376 /nfs/dbraw/zinc/18/13/76/202181376.db2.gz YBWNULBHKNZZTP-VIFPVBQESA-N 0 0 221.260 2.225 20 5 BEBDRN Cc1ccoc1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000450539044 202193101 /nfs/dbraw/zinc/19/31/01/202193101.db2.gz IKNATUOCHGKTCW-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])c1ccc(NC(CF)CF)cc1 ZINC000450581599 202202642 /nfs/dbraw/zinc/20/26/42/202202642.db2.gz ALKIFZQCYPCMTI-UHFFFAOYSA-N 0 0 216.187 2.314 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](F)C2)c1 ZINC000450605714 202208716 /nfs/dbraw/zinc/20/87/16/202208716.db2.gz QIKYYFQKJMEODH-SECBINFHSA-N 0 0 224.235 2.451 20 5 BEBDRN Cc1noc(COc2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000026332374 357031379 /nfs/dbraw/zinc/03/13/79/357031379.db2.gz XYXZICDLMKTZEZ-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN O=[N+]([O-])c1ncccc1Sc1ncco1 ZINC000618345877 357002171 /nfs/dbraw/zinc/00/21/71/357002171.db2.gz GYJXCUHALWXIDP-UHFFFAOYSA-N 0 0 223.213 2.129 20 5 BEBDRN O=[N+]([O-])c1cnc(NCc2cccc(F)c2)nc1 ZINC000040454501 357225185 /nfs/dbraw/zinc/22/51/85/357225185.db2.gz GCGWDTOGBKSJID-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN CCOCCNc1c(OC)cccc1[N+](=O)[O-] ZINC000582870510 357417181 /nfs/dbraw/zinc/41/71/81/357417181.db2.gz KJJRDXPFDLJVKN-UHFFFAOYSA-N 0 0 240.259 2.052 20 5 BEBDRN C[C@@]1(CNc2ncc([N+](=O)[O-])s2)CCCO1 ZINC000189688587 357657937 /nfs/dbraw/zinc/65/79/37/357657937.db2.gz QIJMALYOZZNRKA-VIFPVBQESA-N 0 0 243.288 2.032 20 5 BEBDRN C[C@H](CCO)CNc1ccc([N+](=O)[O-])cc1 ZINC000085132149 134223640 /nfs/dbraw/zinc/22/36/40/134223640.db2.gz KSYBPHPSSGKNPK-SECBINFHSA-N 0 0 224.260 2.025 20 5 BEBDRN Cc1nc(N2CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000618983959 357997396 /nfs/dbraw/zinc/99/73/96/357997396.db2.gz HZBOKNDQMQMYSG-UHFFFAOYSA-N 0 0 221.260 2.144 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc[nH]1 ZINC000169910875 134251862 /nfs/dbraw/zinc/25/18/62/134251862.db2.gz UBSGINFICNLNRJ-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN Cc1nc(N2CC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000450640553 202221844 /nfs/dbraw/zinc/22/18/44/202221844.db2.gz DGYKFSWUTDNHSY-NSHDSACASA-N 0 0 233.271 2.287 20 5 BEBDRN Cc1cccc(NCCn2cccn2)c1[N+](=O)[O-] ZINC000218840503 134265394 /nfs/dbraw/zinc/26/53/94/134265394.db2.gz HBEFTMAPKCBKKZ-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC(C)(F)C2)n1 ZINC000619500651 358580372 /nfs/dbraw/zinc/58/03/72/358580372.db2.gz UHKVOCJOFUCYRG-UHFFFAOYSA-N 0 0 239.250 2.155 20 5 BEBDRN Cc1cc(N2CC(C(C)C)C2)ncc1[N+](=O)[O-] ZINC000611078758 358587733 /nfs/dbraw/zinc/58/77/33/358587733.db2.gz OLHXFRIPKYOKBL-UHFFFAOYSA-N 0 0 235.287 2.390 20 5 BEBDRN Cc1ccc(CNc2ccc([N+](=O)[O-])cn2)cn1 ZINC000047538177 358593085 /nfs/dbraw/zinc/59/30/85/358593085.db2.gz MHBTZGJVPNWEPU-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC(C)C1CN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000611079337 358596935 /nfs/dbraw/zinc/59/69/35/358596935.db2.gz PQWKJWAKSSTNKZ-UHFFFAOYSA-N 0 0 248.282 2.323 20 5 BEBDRN Cc1n[nH]cc1Nc1ccccc1[N+](=O)[O-] ZINC000049469858 358690235 /nfs/dbraw/zinc/69/02/35/358690235.db2.gz GMFGYOKCPJPFTC-UHFFFAOYSA-N 0 0 218.216 2.370 20 5 BEBDRN COCCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000213967637 358747882 /nfs/dbraw/zinc/74/78/82/358747882.db2.gz SZTPBCFRIHSJIY-UHFFFAOYSA-N 0 0 247.254 2.201 20 5 BEBDRN Cn1cc(Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000035781662 359371552 /nfs/dbraw/zinc/37/15/52/359371552.db2.gz GIERGDKLIXAUDE-UHFFFAOYSA-N 0 0 218.216 2.072 20 5 BEBDRN CC(C)[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000450806812 202271853 /nfs/dbraw/zinc/27/18/53/202271853.db2.gz FWVDCPWNSZQFED-ONGXEEELSA-N 0 0 235.287 2.116 20 5 BEBDRN CCCOc1cc(OC)ccc1[N+](=O)[O-] ZINC000515843958 259499099 /nfs/dbraw/zinc/49/90/99/259499099.db2.gz GLBQBFNPTPNTLH-UHFFFAOYSA-N 0 0 211.217 2.392 20 5 BEBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(C)C ZINC000578449772 366572180 /nfs/dbraw/zinc/57/21/80/366572180.db2.gz WKPYTITYUVPCOP-SSDOTTSWSA-N 0 0 239.275 2.087 20 5 BEBDRN O=[N+]([O-])c1cnn(CCSC2CCC2)c1 ZINC000450986258 202327379 /nfs/dbraw/zinc/32/73/79/202327379.db2.gz NWFIUWNWWBEFML-UHFFFAOYSA-N 0 0 227.289 2.077 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000149340945 360615953 /nfs/dbraw/zinc/61/59/53/360615953.db2.gz TWXGWRJVGWNOMS-UHFFFAOYSA-N 0 0 211.217 2.391 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCc2ccncc2)nc1 ZINC000037996069 360877651 /nfs/dbraw/zinc/87/76/51/360877651.db2.gz HVEUOXAHKIECBE-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC1CCOCC1 ZINC000036319968 360904307 /nfs/dbraw/zinc/90/43/07/360904307.db2.gz RBIWXWIGMVKMIH-UHFFFAOYSA-N 0 0 222.244 2.186 20 5 BEBDRN CC1=CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000435596828 201277446 /nfs/dbraw/zinc/27/74/46/201277446.db2.gz ZREOFSZUNLIKAK-UHFFFAOYSA-N 0 0 219.244 2.146 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC(OC(F)F)C1 ZINC000435600833 201280197 /nfs/dbraw/zinc/28/01/97/201280197.db2.gz GQEDAZXFARIPDQ-UHFFFAOYSA-N 0 0 244.197 2.023 20 5 BEBDRN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cn1 ZINC000154532162 201281186 /nfs/dbraw/zinc/28/11/86/201281186.db2.gz HUKLSUXOKWIYHV-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(N2CCCCCCC2)n1 ZINC001641967031 1172313741 /nfs/dbraw/zinc/31/37/41/1172313741.db2.gz BTLLPKSTZZUDOA-UHFFFAOYSA-N 0 0 238.291 2.099 20 5 BEBDRN CC[C@@H](O)COc1cccc(C)c1[N+](=O)[O-] ZINC000037694758 364525723 /nfs/dbraw/zinc/52/57/23/364525723.db2.gz DJJZXMBIGPSJIL-SECBINFHSA-N 0 0 225.244 2.053 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCC2(O)CC2)c(F)c1 ZINC000442831489 192994197 /nfs/dbraw/zinc/99/41/97/192994197.db2.gz AINGCGRNTLLMGB-UHFFFAOYSA-N 0 0 241.218 2.028 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC23CCC3)s1 ZINC000443506799 193021985 /nfs/dbraw/zinc/02/19/85/193021985.db2.gz GSEISCZZZZEULU-UHFFFAOYSA-N 0 0 225.273 2.184 20 5 BEBDRN CC[C@@H]1CCCN1c1ncc([N+](=O)[O-])s1 ZINC000443508951 193023500 /nfs/dbraw/zinc/02/35/00/193023500.db2.gz LQZCNQVVSGMVNS-SSDOTTSWSA-N 0 0 227.289 2.430 20 5 BEBDRN O=[N+]([O-])c1ccnn1Cc1cc(F)ccc1F ZINC000194187688 367262225 /nfs/dbraw/zinc/26/22/25/367262225.db2.gz XAAIGSCPOZXXQD-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN COCC1(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000581699532 367718259 /nfs/dbraw/zinc/71/82/59/367718259.db2.gz LNUFALSQJRLMGB-UHFFFAOYSA-N 0 0 240.234 2.325 20 5 BEBDRN O=C(COc1cccc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000016224180 367948026 /nfs/dbraw/zinc/94/80/26/367948026.db2.gz RTTDSGKVWZXYRB-UHFFFAOYSA-N 0 0 246.222 2.185 20 5 BEBDRN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000018207667 367961003 /nfs/dbraw/zinc/96/10/03/367961003.db2.gz JUFCEYLKLOJMKE-SECBINFHSA-N 0 0 248.282 2.052 20 5 BEBDRN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccon1 ZINC000349241491 368143428 /nfs/dbraw/zinc/14/34/28/368143428.db2.gz NRIPTEODZBJDMD-SECBINFHSA-N 0 0 247.254 2.434 20 5 BEBDRN CCCCN(C)c1ccc(N)cc1[N+](=O)[O-] ZINC000071524973 168786555 /nfs/dbraw/zinc/78/65/55/168786555.db2.gz FLTHITNHMDTZLA-UHFFFAOYSA-N 0 0 223.276 2.413 20 5 BEBDRN CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000063602987 368591204 /nfs/dbraw/zinc/59/12/04/368591204.db2.gz YRSUXRXQHLXTFU-UHFFFAOYSA-N 0 0 236.271 2.385 20 5 BEBDRN CC(C)CN(C)c1ccncc1[N+](=O)[O-] ZINC000066811006 368661574 /nfs/dbraw/zinc/66/15/74/368661574.db2.gz JWFTZLGUXXZSMF-UHFFFAOYSA-N 0 0 209.249 2.082 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1Oc1ncccn1 ZINC000067448058 368688436 /nfs/dbraw/zinc/68/84/36/368688436.db2.gz OGEMIOYXPVZUEJ-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN CC[C@H]1CCN(c2ncc([N+](=O)[O-])cn2)[C@H]1C ZINC001642596459 1172377738 /nfs/dbraw/zinc/37/77/38/1172377738.db2.gz KUGFDPMMGIGAPY-IUCAKERBSA-N 0 0 236.275 2.010 20 5 BEBDRN C[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000072522062 369474352 /nfs/dbraw/zinc/47/43/52/369474352.db2.gz QOTFCLTYWOOQIQ-SECBINFHSA-N 0 0 221.260 2.226 20 5 BEBDRN Cn1nccc1CNc1ccc([N+](=O)[O-])s1 ZINC000309525897 370221528 /nfs/dbraw/zinc/22/15/28/370221528.db2.gz CDTXHHSSKGHBDZ-UHFFFAOYSA-N 0 0 238.272 2.002 20 5 BEBDRN C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C[C@H]1F ZINC000619697319 370582318 /nfs/dbraw/zinc/58/23/18/370582318.db2.gz QNRWTVQZPJAIGN-NKWVEPMBSA-N 0 0 245.279 2.236 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCc1ccccc1 ZINC000078964114 370614284 /nfs/dbraw/zinc/61/42/84/370614284.db2.gz INJGVXLMMJTGRZ-UHFFFAOYSA-N 0 0 231.255 2.342 20 5 BEBDRN O=[N+]([O-])c1ccccc1CNCc1ccccn1 ZINC000020053992 371223693 /nfs/dbraw/zinc/22/36/93/371223693.db2.gz PLUNCIZNRZEVRL-UHFFFAOYSA-N 0 0 243.266 2.280 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N(C1CC1)C1CC1 ZINC000600364255 371666202 /nfs/dbraw/zinc/66/62/02/371666202.db2.gz FLDDOEMYAPBBMO-UHFFFAOYSA-N 0 0 246.266 2.362 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000600521387 371680388 /nfs/dbraw/zinc/68/03/88/371680388.db2.gz PKPUCGNYUBUYKE-AXFHLTTASA-N 0 0 233.271 2.312 20 5 BEBDRN C/C=C\CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000600493295 371674991 /nfs/dbraw/zinc/67/49/91/371674991.db2.gz UIKKRHSCDZTBRF-ARJAWSKDSA-N 0 0 234.255 2.209 20 5 BEBDRN Cc1nn(C[C@@H]2C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000600510919 371678525 /nfs/dbraw/zinc/67/85/25/371678525.db2.gz XXCSNVDWDNCZCB-MUWHJKNJSA-N 0 0 209.249 2.064 20 5 BEBDRN CC(C)CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000002734792 371643074 /nfs/dbraw/zinc/64/30/74/371643074.db2.gz UQHQRRZAIMPLEH-BQYQJAHWSA-N 0 0 248.282 2.380 20 5 BEBDRN Cc1cc(=O)n(CSC(C)C)cc1[N+](=O)[O-] ZINC000600531802 371681509 /nfs/dbraw/zinc/68/15/09/371681509.db2.gz WYYVCIWAHBDGDC-UHFFFAOYSA-N 0 0 242.300 2.164 20 5 BEBDRN C[C@@H]1OCC[C@@H]1COc1ccccc1[N+](=O)[O-] ZINC000601068899 371724733 /nfs/dbraw/zinc/72/47/33/371724733.db2.gz GXXPGNMLAXTMOP-VHSXEESVSA-N 0 0 237.255 2.399 20 5 BEBDRN O=[N+]([O-])c1ccnn1COC1CCCCC1 ZINC000601075235 371725462 /nfs/dbraw/zinc/72/54/62/371725462.db2.gz MRKKUXRZFFSDLQ-UHFFFAOYSA-N 0 0 225.248 2.098 20 5 BEBDRN CC1(C)CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601120773 371728766 /nfs/dbraw/zinc/72/87/66/371728766.db2.gz NGWZTHIHDVDPOQ-UHFFFAOYSA-N 0 0 239.250 2.365 20 5 BEBDRN CC(C)C1CN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601135479 371730881 /nfs/dbraw/zinc/73/08/81/371730881.db2.gz VFASHTYEHGBNFI-UHFFFAOYSA-N 0 0 239.250 2.221 20 5 BEBDRN CN(CCF)c1ccsc1[N+](=O)[O-] ZINC000601169869 371732286 /nfs/dbraw/zinc/73/22/86/371732286.db2.gz QDMKFXBWVVOMGK-UHFFFAOYSA-N 0 0 204.226 2.062 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)F ZINC000601206221 371736700 /nfs/dbraw/zinc/73/67/00/371736700.db2.gz QSOLNXPAJZBHKA-UHFFFAOYSA-N 0 0 244.270 2.280 20 5 BEBDRN C[C@@H]1C[C@@H]1COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000600534305 371681916 /nfs/dbraw/zinc/68/19/16/371681916.db2.gz VDZDCDKMMPRTAJ-PSASIEDQSA-N 0 0 237.255 2.122 20 5 BEBDRN COC1CC(n2cc([N+](=O)[O-])c(C3CC3)n2)C1 ZINC000600535676 371683934 /nfs/dbraw/zinc/68/39/34/371683934.db2.gz QWHCVIIHVMCYTA-UHFFFAOYSA-N 0 0 237.259 2.019 20 5 BEBDRN C[C@@H]1C[C@H]1CSCCn1cc([N+](=O)[O-])cn1 ZINC000600644393 371692119 /nfs/dbraw/zinc/69/21/19/371692119.db2.gz GYQLDWFQXSWYOC-BDAKNGLRSA-N 0 0 241.316 2.181 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@H]1CCCC12CC2 ZINC000601210647 371737887 /nfs/dbraw/zinc/73/78/87/371737887.db2.gz RMZNZEKSUUTPIL-NSHDSACASA-N 0 0 233.271 2.156 20 5 BEBDRN CC1(F)CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000601246381 371741152 /nfs/dbraw/zinc/74/11/52/371741152.db2.gz RKBWULSNZHXDDW-UHFFFAOYSA-N 0 0 239.250 2.318 20 5 BEBDRN O=[N+]([O-])c1ccc(N2OC3CCC2CC3)nc1 ZINC000601270798 371744931 /nfs/dbraw/zinc/74/49/31/371744931.db2.gz AKZGPQLWKVFHFC-UHFFFAOYSA-N 0 0 235.243 2.053 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCSCCCF ZINC000601915929 371774887 /nfs/dbraw/zinc/77/48/87/371774887.db2.gz BGCKFIGSTONWGC-UHFFFAOYSA-N 0 0 247.295 2.193 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCSC1CCC1 ZINC000601913905 371775294 /nfs/dbraw/zinc/77/52/94/371775294.db2.gz SMYUGXFRKAAHMJ-UHFFFAOYSA-N 0 0 241.316 2.385 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C[C@H](C)O ZINC000132468422 371830065 /nfs/dbraw/zinc/83/00/65/371830065.db2.gz QQKDETMGISFZNJ-ZJUUUORDSA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1nn(Cc2ccccc2[N+](=O)[O-])c(C)c1N ZINC000602420798 371803393 /nfs/dbraw/zinc/80/33/93/371803393.db2.gz HGKDTHRZOBXTBA-UHFFFAOYSA-N 0 0 246.270 2.039 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NCC1(C)COC1 ZINC000227522678 371882143 /nfs/dbraw/zinc/88/21/43/371882143.db2.gz UYXYGZGXZHBOPJ-UHFFFAOYSA-N 0 0 236.271 2.352 20 5 BEBDRN CCOc1ccn(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000603427875 371894128 /nfs/dbraw/zinc/89/41/28/371894128.db2.gz XOYMWDUKHRQHIF-UHFFFAOYSA-N 0 0 247.254 2.238 20 5 BEBDRN C[C@@H]1CC[C@H](CNc2c([N+](=O)[O-])ncn2C)C1 ZINC000230435277 371909564 /nfs/dbraw/zinc/90/95/64/371909564.db2.gz JHJUNVUMEBXXFB-BDAKNGLRSA-N 0 0 238.291 2.176 20 5 BEBDRN Cc1cc(Oc2cnccn2)ccc1[N+](=O)[O-] ZINC000603627319 371915790 /nfs/dbraw/zinc/91/57/90/371915790.db2.gz LYSZRFLFYULMNU-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN COc1ccc(Oc2cnccn2)c([N+](=O)[O-])c1 ZINC000603824504 371933114 /nfs/dbraw/zinc/93/31/14/371933114.db2.gz JGKQIDYBTGADLR-UHFFFAOYSA-N 0 0 247.210 2.186 20 5 BEBDRN C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000604395861 371974067 /nfs/dbraw/zinc/97/40/67/371974067.db2.gz FVBKTVXAAJPGQB-VIFPVBQESA-N 0 0 248.282 2.371 20 5 BEBDRN Cc1c(C(=O)N2CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000604438279 371977481 /nfs/dbraw/zinc/97/74/81/371977481.db2.gz ALMWELQJBRIIER-QMMMGPOBSA-N 0 0 234.255 2.138 20 5 BEBDRN Cc1sc(C(=O)N2CC[C@H]2C)cc1[N+](=O)[O-] ZINC000604438376 371977593 /nfs/dbraw/zinc/97/75/93/371977593.db2.gz GYWPADZXVWWCDQ-ZCFIWIBFSA-N 0 0 240.284 2.199 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000604488631 371981506 /nfs/dbraw/zinc/98/15/06/371981506.db2.gz ZAXSXUPUZZBUSU-XPUUQOCRSA-N 0 0 238.218 2.328 20 5 BEBDRN Cc1ccc(C(=O)Nc2cnoc2)cc1[N+](=O)[O-] ZINC000604542406 371986128 /nfs/dbraw/zinc/98/61/28/371986128.db2.gz SIQUSMPSAVBQDD-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN Cc1cccc(C(=O)Nc2cnoc2)c1[N+](=O)[O-] ZINC000604542164 371986686 /nfs/dbraw/zinc/98/66/86/371986686.db2.gz BKBUZTAXDVNLTC-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN O=C(COc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000278292065 182001419 /nfs/dbraw/zinc/00/14/19/182001419.db2.gz ZWNRDZRWIOZWBR-UHFFFAOYSA-N 0 0 235.239 2.343 20 5 BEBDRN Cc1cc(NCc2cc[nH]n2)ccc1[N+](=O)[O-] ZINC000040444300 373265357 /nfs/dbraw/zinc/26/53/57/373265357.db2.gz AOBUNGNVTOFVPB-UHFFFAOYSA-N 0 0 232.243 2.238 20 5 BEBDRN O=C(NC1CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000131865575 182101227 /nfs/dbraw/zinc/10/12/27/182101227.db2.gz OVGDZLKYUKLVSB-UHFFFAOYSA-N 0 0 240.646 2.140 20 5 BEBDRN O=[N+]([O-])c1ccc(Oc2cncc(F)c2)cn1 ZINC001643327081 1172455845 /nfs/dbraw/zinc/45/58/45/1172455845.db2.gz CTVWZXNCVNWLOA-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000026858331 182362286 /nfs/dbraw/zinc/36/22/86/182362286.db2.gz UWEJKYNIJPXSOW-UHFFFAOYSA-N 0 0 232.195 2.440 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000070266316 182362782 /nfs/dbraw/zinc/36/27/82/182362782.db2.gz PWMYICYFYZHGBW-UHFFFAOYSA-N 0 0 224.191 2.082 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)NC1CCC1 ZINC000134452104 182371605 /nfs/dbraw/zinc/37/16/05/182371605.db2.gz NONIBCSBSXMREL-UHFFFAOYSA-N 0 0 235.243 2.269 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCCO2)cc1 ZINC000019231884 182936392 /nfs/dbraw/zinc/93/63/92/182936392.db2.gz CXYNKJVZMJLYSO-NSHDSACASA-N 0 0 222.244 2.186 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(OC[C@H]2CCCO2)c1 ZINC000121529017 182922902 /nfs/dbraw/zinc/92/29/02/182922902.db2.gz HLFCVHAMSLLLSX-SNVBAGLBSA-N 0 0 241.218 2.292 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3CC=CC[C@@H]3C2)nc1 ZINC000301434109 182935021 /nfs/dbraw/zinc/93/50/21/182935021.db2.gz RHSZYRKRHFRJTQ-PHIMTYICSA-N 0 0 245.282 2.392 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1NCC(F)F ZINC000288564744 182945583 /nfs/dbraw/zinc/94/55/83/182945583.db2.gz WLHCBENETVAEGS-UHFFFAOYSA-N 0 0 220.150 2.411 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1OCCCO ZINC000130753488 182945610 /nfs/dbraw/zinc/94/56/10/182945610.db2.gz AMQIOIVVARVYBF-UHFFFAOYSA-N 0 0 231.635 2.009 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC([C@H]2CCOC2)C1 ZINC000366467564 182950576 /nfs/dbraw/zinc/95/05/76/182950576.db2.gz BAXSEUPEDSRJAA-JTQLQIEISA-N 0 0 248.282 2.068 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000336719102 182938930 /nfs/dbraw/zinc/93/89/30/182938930.db2.gz WQIDWAXWRSDOEA-QMMMGPOBSA-N 0 0 241.218 2.149 20 5 BEBDRN O=[N+]([O-])c1cn(CCC2CC2)nc1C1CC1 ZINC000340711338 182956017 /nfs/dbraw/zinc/95/60/17/182956017.db2.gz NWGHBNIAFOQHEB-UHFFFAOYSA-N 0 0 221.260 2.469 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC2CCC2)s1 ZINC000226769759 182957179 /nfs/dbraw/zinc/95/71/79/182957179.db2.gz PXWMSUSLKASKPZ-UHFFFAOYSA-N 0 0 213.262 2.263 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCCCF)s1 ZINC000308462793 182957363 /nfs/dbraw/zinc/95/73/63/182957363.db2.gz DYBLDXKZPBNOCQ-UHFFFAOYSA-N 0 0 219.241 2.213 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1OCC1CC1 ZINC000331925162 182959270 /nfs/dbraw/zinc/95/92/70/182959270.db2.gz GCVGASGKUTVOIP-UHFFFAOYSA-N 0 0 228.635 2.432 20 5 BEBDRN O=c1ccn(CCC2CCCC2)cc1[N+](=O)[O-] ZINC000130921540 183003916 /nfs/dbraw/zinc/00/39/16/183003916.db2.gz HCTQZALWFYRQEU-UHFFFAOYSA-N 0 0 236.271 2.337 20 5 BEBDRN CCCN(C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000278367670 169089028 /nfs/dbraw/zinc/08/90/28/169089028.db2.gz KTPQVMHNFLEBIF-UHFFFAOYSA-N 0 0 235.287 2.409 20 5 BEBDRN CCCN(CCC)c1ncc([N+](=O)[O-])c(C)n1 ZINC000294782124 169153978 /nfs/dbraw/zinc/15/39/78/169153978.db2.gz AAJRFAJGRMNYJS-UHFFFAOYSA-N 0 0 238.291 2.320 20 5 BEBDRN CCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000033747862 169212198 /nfs/dbraw/zinc/21/21/98/169212198.db2.gz VJTJIPYGQMXEDV-FPLPWBNLSA-N 0 0 234.255 2.134 20 5 BEBDRN CCCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000074344203 169250255 /nfs/dbraw/zinc/25/02/55/169250255.db2.gz FBXJEKGNZVPNOH-UHFFFAOYSA-N 0 0 228.273 2.105 20 5 BEBDRN CCCOC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000057981264 169298849 /nfs/dbraw/zinc/29/88/49/169298849.db2.gz IQVUEEDYINJXMI-UHFFFAOYSA-N 0 0 223.228 2.091 20 5 BEBDRN CCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000069198967 169320712 /nfs/dbraw/zinc/32/07/12/169320712.db2.gz GXWXLELTQSINRD-UHFFFAOYSA-N 0 0 211.217 2.392 20 5 BEBDRN CCC[C@H](O)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000134547653 169520316 /nfs/dbraw/zinc/52/03/16/169520316.db2.gz ZKWJHPUNVKPQBM-NSHDSACASA-N 0 0 238.287 2.476 20 5 BEBDRN C[C@@H](F)CCNc1ccc([N+](=O)[O-])c(N)c1F ZINC000338749587 383826018 /nfs/dbraw/zinc/82/60/18/383826018.db2.gz IYJMYRJJCAOHHY-ZCFIWIBFSA-N 0 0 245.229 2.476 20 5 BEBDRN CCCCCn1cc([N+](=O)[O-])cc(C)c1=O ZINC000096778368 383923504 /nfs/dbraw/zinc/92/35/04/383923504.db2.gz NHNCDYUAYYWXJM-UHFFFAOYSA-N 0 0 224.260 2.255 20 5 BEBDRN CCN(CC1CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000112178741 383900861 /nfs/dbraw/zinc/90/08/61/383900861.db2.gz JCVDHTDAVJVYDB-UHFFFAOYSA-N 0 0 248.282 2.467 20 5 BEBDRN CN(CC(C)(C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000339175180 383905648 /nfs/dbraw/zinc/90/56/48/383905648.db2.gz YUCVHBDNBSKBTJ-UHFFFAOYSA-N 0 0 239.275 2.041 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(OCC2(O)CCC2)c1 ZINC000339338427 383968004 /nfs/dbraw/zinc/96/80/04/383968004.db2.gz QQYIYOADQSLRAR-UHFFFAOYSA-N 0 0 241.218 2.028 20 5 BEBDRN Cc1cc(C(=O)N2CC3(CC3)C2)cc([N+](=O)[O-])c1 ZINC000334860301 383969203 /nfs/dbraw/zinc/96/92/03/383969203.db2.gz XFOBJCWALXTZQU-UHFFFAOYSA-N 0 0 246.266 2.139 20 5 BEBDRN CC[C@H](CO)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000050351906 384006349 /nfs/dbraw/zinc/00/63/49/384006349.db2.gz KNFFZKKPWQOISU-SSDOTTSWSA-N 0 0 244.678 2.431 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(S[C@H](C)CO)c1 ZINC000158021919 384041701 /nfs/dbraw/zinc/04/17/01/384041701.db2.gz MWZIMMBWWHUPDW-MRVPVSSYSA-N 0 0 227.285 2.376 20 5 BEBDRN C[C@@]1(Nc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000091505221 384131394 /nfs/dbraw/zinc/13/13/94/384131394.db2.gz LJGDZUZGXPMKBI-LLVKDONJSA-N 0 0 222.244 2.186 20 5 BEBDRN C[C@@H](Nc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000135251022 384196258 /nfs/dbraw/zinc/19/62/58/384196258.db2.gz XHPIMJPQOVKMCR-ZJUUUORDSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@H](O)CCCOc1ccc([N+](=O)[O-])cc1F ZINC000336671132 384248316 /nfs/dbraw/zinc/24/83/16/384248316.db2.gz AXXMEYQDVMHBFN-QMMMGPOBSA-N 0 0 243.234 2.274 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1CN(C)C1CC1 ZINC000078528051 384249253 /nfs/dbraw/zinc/24/92/53/384249253.db2.gz QISWUZQCVIZHRX-UHFFFAOYSA-N 0 0 236.271 2.198 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@H]1CC[C@H](F)C1 ZINC000336672026 384250901 /nfs/dbraw/zinc/25/09/01/384250901.db2.gz IWCDOYJHWDYOAU-YUMQZZPRSA-N 0 0 225.223 2.292 20 5 BEBDRN C[C@@H](O)CCCOc1ccc([N+](=O)[O-])cc1F ZINC000336671117 384252341 /nfs/dbraw/zinc/25/23/41/384252341.db2.gz AXXMEYQDVMHBFN-MRVPVSSYSA-N 0 0 243.234 2.274 20 5 BEBDRN CO[C@H](C)CN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000286300401 384264380 /nfs/dbraw/zinc/26/43/80/384264380.db2.gz HHKFFKMJCYVRAX-MRVPVSSYSA-N 0 0 242.250 2.205 20 5 BEBDRN CO[C@H](C)CN(C)c1ccc([N+](=O)[O-])cc1F ZINC000286306842 384268914 /nfs/dbraw/zinc/26/89/14/384268914.db2.gz HSFCXGRRAQSBHZ-MRVPVSSYSA-N 0 0 242.250 2.205 20 5 BEBDRN C[C@H](Nc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000229871812 384273706 /nfs/dbraw/zinc/27/37/06/384273706.db2.gz AIVORSJUBCRXBN-QMMMGPOBSA-N 0 0 232.243 2.491 20 5 BEBDRN CO[C@H](C)CN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000286381505 384287060 /nfs/dbraw/zinc/28/70/60/384287060.db2.gz MAFWFGUATMFLEQ-SNVBAGLBSA-N 0 0 238.287 2.374 20 5 BEBDRN CO[C@@H](C)CN(C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000286381504 384290358 /nfs/dbraw/zinc/29/03/58/384290358.db2.gz MAFWFGUATMFLEQ-JTQLQIEISA-N 0 0 238.287 2.374 20 5 BEBDRN CC[C@@H](O)CNc1c(C)cccc1[N+](=O)[O-] ZINC000229994541 384343501 /nfs/dbraw/zinc/34/35/01/384343501.db2.gz YYZWKXZRECCIHJ-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN C[C@@H]1C[C@@H](C)N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000335770732 384374363 /nfs/dbraw/zinc/37/43/63/384374363.db2.gz NOQGDQGQRVQFQA-RKDXNWHRSA-N 0 0 234.255 2.218 20 5 BEBDRN CC/C=C/CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000395057940 384392769 /nfs/dbraw/zinc/39/27/69/384392769.db2.gz YMEUNLXQZWEPMS-ONEGZZNKSA-N 0 0 246.270 2.271 20 5 BEBDRN C[C@H](CF)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000286873506 384409071 /nfs/dbraw/zinc/40/90/71/384409071.db2.gz HQQMWGGPDLQAEF-SSDOTTSWSA-N 0 0 241.222 2.074 20 5 BEBDRN CC(C)[C@@H](CO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000135820110 384377813 /nfs/dbraw/zinc/37/78/13/384377813.db2.gz LNBAZKBWISBKIR-SNVBAGLBSA-N 0 0 242.250 2.163 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1N1CC[C@H](F)C1 ZINC000309225318 384469776 /nfs/dbraw/zinc/46/97/76/384469776.db2.gz DFRPAFSLECWWIR-QMMMGPOBSA-N 0 0 228.198 2.282 20 5 BEBDRN O=[N+]([O-])c1cccc(CSCCCO)c1 ZINC000085163474 384508228 /nfs/dbraw/zinc/50/82/28/384508228.db2.gz ANKICPOCIVMFQD-UHFFFAOYSA-N 0 0 227.285 2.210 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2nc(-c3ccco3)no2)[nH]1 ZINC000340657213 384523865 /nfs/dbraw/zinc/52/38/65/384523865.db2.gz OCKMMNQRCCBFFO-UHFFFAOYSA-N 0 0 246.182 2.233 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC[C@H]2CCOC2)cc1 ZINC000230104497 384527780 /nfs/dbraw/zinc/52/77/80/384527780.db2.gz YDDHDEZCGSPJLI-JTQLQIEISA-N 0 0 236.271 2.433 20 5 BEBDRN CC(=O)CCCOc1ncc(C)cc1[N+](=O)[O-] ZINC000157941178 384554472 /nfs/dbraw/zinc/55/44/72/384554472.db2.gz XPINYRGZZGFKBT-UHFFFAOYSA-N 0 0 238.243 2.046 20 5 BEBDRN C[C@@H](O)CN(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000049776549 384564404 /nfs/dbraw/zinc/56/44/04/384564404.db2.gz MRDPUHYWFAQKLD-SSDOTTSWSA-N 0 0 244.678 2.065 20 5 BEBDRN CN(Cc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000103488238 384633718 /nfs/dbraw/zinc/63/37/18/384633718.db2.gz HHKJNQLOGDIYMT-UHFFFAOYSA-N 0 0 230.214 2.292 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CC[C@H](F)C2)cn1 ZINC000309491484 384653090 /nfs/dbraw/zinc/65/30/90/384653090.db2.gz ITGQOFSPJAONTK-YUMQZZPRSA-N 0 0 225.223 2.292 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2[C@@H]3CCC[C@@H]32)cn1 ZINC000450480185 384772964 /nfs/dbraw/zinc/77/29/64/384772964.db2.gz ALAMNVSMZPXVJR-JZYVYDRUSA-N 0 0 219.244 2.200 20 5 BEBDRN CCc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000173994131 384741517 /nfs/dbraw/zinc/74/15/17/384741517.db2.gz WTVPLCPUISWANU-UHFFFAOYSA-N 0 0 236.271 2.295 20 5 BEBDRN C/C=C(\C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000175820285 384804484 /nfs/dbraw/zinc/80/44/84/384804484.db2.gz FFDSVLHNSSJUPI-YCRREMRBSA-N 0 0 246.266 2.450 20 5 BEBDRN C/C=C/C=C/C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000175671151 384852063 /nfs/dbraw/zinc/85/20/63/384852063.db2.gz QGUMVQKJNUWEIP-VNKDHWASSA-N 0 0 247.254 2.369 20 5 BEBDRN CC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cn1 ZINC000177046372 384853574 /nfs/dbraw/zinc/85/35/74/384853574.db2.gz HQAYHLXKVMGXIA-ZETCQYMHSA-N 0 0 226.257 2.059 20 5 BEBDRN CC(C)[C@](C)(O)CNc1ccccc1[N+](=O)[O-] ZINC000301246326 384864310 /nfs/dbraw/zinc/86/43/10/384864310.db2.gz LDYSCJCSFDAYFN-GFCCVEGCSA-N 0 0 238.287 2.414 20 5 BEBDRN CO[C@H](C)CSc1ncccc1[N+](=O)[O-] ZINC000180971985 384869226 /nfs/dbraw/zinc/86/92/26/384869226.db2.gz IWUPDUVZFJXSAK-SSDOTTSWSA-N 0 0 228.273 2.117 20 5 BEBDRN O=C(NC1CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000083795473 384890489 /nfs/dbraw/zinc/89/04/89/384890489.db2.gz ASGQVWIQNFCWOQ-UHFFFAOYSA-N 0 0 240.646 2.140 20 5 BEBDRN CC[C@@H](NC(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000177797240 384912710 /nfs/dbraw/zinc/91/27/10/384912710.db2.gz NRMRNESITSXQMB-LLVKDONJSA-N 0 0 222.244 2.182 20 5 BEBDRN CC(C)[C@@H]1CCN1c1ccc([N+](=O)[O-])nc1 ZINC000450815715 384932211 /nfs/dbraw/zinc/93/22/11/384932211.db2.gz TZTZMPBSPPZUTB-JTQLQIEISA-N 0 0 221.260 2.225 20 5 BEBDRN COC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000310380820 385001431 /nfs/dbraw/zinc/00/14/31/385001431.db2.gz JCVBABJDYJFPPZ-MRVPVSSYSA-N 0 0 242.250 2.489 20 5 BEBDRN CCOc1cc(OCCOC)ccc1[N+](=O)[O-] ZINC000188583559 385067294 /nfs/dbraw/zinc/06/72/94/385067294.db2.gz WARNZTCTGRMVGD-UHFFFAOYSA-N 0 0 241.243 2.019 20 5 BEBDRN C/C=C(\C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000175853444 385033323 /nfs/dbraw/zinc/03/33/23/385033323.db2.gz QHMFSJPIMMTMFJ-XCVCLJGOSA-N 0 0 248.282 2.220 20 5 BEBDRN O=[N+]([O-])c1cccc(OCCOCC(F)F)c1 ZINC000189159356 385094876 /nfs/dbraw/zinc/09/48/76/385094876.db2.gz GSOQXOVIYRRFMR-UHFFFAOYSA-N 0 0 247.197 2.255 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC(C)(C)[C@H](C)O)c1 ZINC000158790445 385147598 /nfs/dbraw/zinc/14/75/98/385147598.db2.gz GOQBBTOZSXZKGJ-VIFPVBQESA-N 0 0 238.287 2.475 20 5 BEBDRN CN(CC1CCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000110472403 385150024 /nfs/dbraw/zinc/15/00/24/385150024.db2.gz ACVJSLCBNIXIKS-UHFFFAOYSA-N 0 0 248.282 2.467 20 5 BEBDRN CC(=O)c1cc(NC2CC2)ccc1[N+](=O)[O-] ZINC000290543962 385200499 /nfs/dbraw/zinc/20/04/99/385200499.db2.gz PNJACRQKWDZGTR-UHFFFAOYSA-N 0 0 220.228 2.372 20 5 BEBDRN COC1(CCn2c(C)ncc2[N+](=O)[O-])CCC1 ZINC000338546843 385256896 /nfs/dbraw/zinc/25/68/96/385256896.db2.gz QXRGULIVJIVUDT-UHFFFAOYSA-N 0 0 239.275 2.059 20 5 BEBDRN O=C(NCc1ccccc1[N+](=O)[O-])C1=CCCC1 ZINC000177898408 385252366 /nfs/dbraw/zinc/25/23/66/385252366.db2.gz KNBILGPZPWZAFQ-UHFFFAOYSA-N 0 0 246.266 2.321 20 5 BEBDRN CC(=O)c1cc(NCCF)ccc1[N+](=O)[O-] ZINC000287609939 385205251 /nfs/dbraw/zinc/20/52/51/385205251.db2.gz FZKMAONMWMRJNE-UHFFFAOYSA-N 0 0 226.207 2.179 20 5 BEBDRN C[C@H](CF)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000288131959 385270782 /nfs/dbraw/zinc/27/07/82/385270782.db2.gz DWJYLJGLIZWAAJ-RXMQYKEDSA-N 0 0 244.251 2.074 20 5 BEBDRN CCC1(CC)CN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000338734663 385277490 /nfs/dbraw/zinc/27/74/90/385277490.db2.gz UUSPMXQIFCYGEI-UHFFFAOYSA-N 0 0 236.275 2.011 20 5 BEBDRN CC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC000294876011 385284074 /nfs/dbraw/zinc/28/40/74/385284074.db2.gz BMXGUCRZZQRHDD-ONEGZZNKSA-N 0 0 207.233 2.368 20 5 BEBDRN Cc1cc(=O)n(CCC(C)C)cc1[N+](=O)[O-] ZINC000096548097 385288722 /nfs/dbraw/zinc/28/87/22/385288722.db2.gz JKCGYZJWJBQMMJ-UHFFFAOYSA-N 0 0 224.260 2.111 20 5 BEBDRN CC/C=C\CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000452614039 385345894 /nfs/dbraw/zinc/34/58/94/385345894.db2.gz OWIDJMICIAEKKW-ARJAWSKDSA-N 0 0 234.255 2.291 20 5 BEBDRN CC/C=C/CNc1c([N+](=O)[O-])c(CC)nn1C ZINC000295052171 385405949 /nfs/dbraw/zinc/40/59/49/385405949.db2.gz URMQRFFHZYZNOP-VOTSOKGWSA-N 0 0 238.291 2.269 20 5 BEBDRN COC[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887384 385480312 /nfs/dbraw/zinc/48/03/12/385480312.db2.gz JGEXCOWCKGKAFQ-LURJTMIESA-N 0 0 246.213 2.320 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccon1 ZINC000128423692 385500905 /nfs/dbraw/zinc/50/09/05/385500905.db2.gz XZMCFOWOKCOFSC-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@@H]2O)cc1 ZINC000052006154 385597649 /nfs/dbraw/zinc/59/76/49/385597649.db2.gz IMYWFOMOCWPKJN-NEPJUHHUSA-N 0 0 236.271 2.310 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCC[C@H]1O ZINC000265557620 385688683 /nfs/dbraw/zinc/68/86/83/385688683.db2.gz IOMFLNNGKWVXKY-MWLCHTKSSA-N 0 0 240.234 2.059 20 5 BEBDRN O=[N+]([O-])c1cccc2c1CCN2CC(F)F ZINC000183620030 385698268 /nfs/dbraw/zinc/69/82/68/385698268.db2.gz STICLRGFNIXREE-UHFFFAOYSA-N 0 0 228.198 2.222 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000397700567 385705218 /nfs/dbraw/zinc/70/52/18/385705218.db2.gz ILCLTJDCQXEHRZ-AYMMMOKOSA-N 0 0 219.244 2.200 20 5 BEBDRN CSCCOc1c(F)cccc1[N+](=O)[O-] ZINC000185018792 385719256 /nfs/dbraw/zinc/71/92/56/385719256.db2.gz WSWBTZXTFYCQLV-UHFFFAOYSA-N 0 0 231.248 2.476 20 5 BEBDRN CC(C)[C@H](C)Sc1c([N+](=O)[O-])ncn1C ZINC000266199870 385820404 /nfs/dbraw/zinc/82/04/04/385820404.db2.gz IWIAAKOBRGEPSW-ZETCQYMHSA-N 0 0 229.305 2.465 20 5 BEBDRN CC(C)[C@@]1(C)C[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000397182953 385927096 /nfs/dbraw/zinc/92/70/96/385927096.db2.gz JZMRSLQILUFIPX-LDYMZIIASA-N 0 0 238.291 2.175 20 5 BEBDRN C[C@@]1(Nc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000159997319 385868829 /nfs/dbraw/zinc/86/88/29/385868829.db2.gz NZJUWYAFCMLHPR-LLVKDONJSA-N 0 0 240.234 2.325 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@]2(C)CCOC2)c1 ZINC000159999294 385876763 /nfs/dbraw/zinc/87/67/63/385876763.db2.gz HFTGUBICVBEQKB-LBPRGKRZSA-N 0 0 236.271 2.494 20 5 BEBDRN COC[C@H](C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000131908966 386227676 /nfs/dbraw/zinc/22/76/76/386227676.db2.gz ZVDLYIHWKBTDKJ-MRVPVSSYSA-N 0 0 242.250 2.428 20 5 BEBDRN O=C(/C=C/C1CC1)NCc1ccccc1[N+](=O)[O-] ZINC000266274925 386262220 /nfs/dbraw/zinc/26/22/20/386262220.db2.gz RKNZUJBXYPZASW-BQYQJAHWSA-N 0 0 246.266 2.177 20 5 BEBDRN Cc1ccc(Nc2ncc([N+](=O)[O-])cn2)cc1 ZINC000302151584 386415755 /nfs/dbraw/zinc/41/57/55/386415755.db2.gz MCNGRPVXKQWLQP-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1cc(C(=O)N2C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000294203904 386466765 /nfs/dbraw/zinc/46/67/65/386466765.db2.gz QRQUSIRLIVMUPL-VHSXEESVSA-N 0 0 248.282 2.384 20 5 BEBDRN CCC1(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000267172158 386504706 /nfs/dbraw/zinc/50/47/06/386504706.db2.gz DKOBQCFFQNIWGA-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC3(CCC3)C2)cn1 ZINC000518458364 386461902 /nfs/dbraw/zinc/46/19/02/386461902.db2.gz ZGARZBFGPSYCTF-UHFFFAOYSA-N 0 0 233.271 2.370 20 5 BEBDRN CC(C)(C)C1CN(c2ccncc2[N+](=O)[O-])C1 ZINC000413368057 386593211 /nfs/dbraw/zinc/59/32/11/386593211.db2.gz RKRCDGPBDJOPQR-UHFFFAOYSA-N 0 0 235.287 2.472 20 5 BEBDRN Cc1ccnc(N(C)CC(C)C)c1[N+](=O)[O-] ZINC000265259085 386621657 /nfs/dbraw/zinc/62/16/57/386621657.db2.gz SEMJESRUBDTILB-UHFFFAOYSA-N 0 0 223.276 2.390 20 5 BEBDRN CS[C@@H](C)CNc1nccc(C)c1[N+](=O)[O-] ZINC000128831858 386623535 /nfs/dbraw/zinc/62/35/35/386623535.db2.gz OGRNEFFKZJGNQQ-QMMMGPOBSA-N 0 0 241.316 2.462 20 5 BEBDRN COc1cc(N2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000266462577 386668208 /nfs/dbraw/zinc/66/82/08/386668208.db2.gz YXNRXLGAABPRGN-SECBINFHSA-N 0 0 236.271 2.450 20 5 BEBDRN Cc1nnc(NCc2ccc([N+](=O)[O-])cc2C)o1 ZINC000185851757 386705598 /nfs/dbraw/zinc/70/55/98/386705598.db2.gz LBZLQIWLIBAUBP-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC(C)(C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151466435 386740653 /nfs/dbraw/zinc/74/06/53/386740653.db2.gz BANZTPUMYUOJPN-UHFFFAOYSA-N 0 0 236.271 2.052 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]2O)c1 ZINC000268028230 386773176 /nfs/dbraw/zinc/77/31/76/386773176.db2.gz JZIOZYHJAZRJAR-BXKDBHETSA-N 0 0 236.271 2.229 20 5 BEBDRN O=[N+]([O-])c1cccc(NCCCCCO)c1 ZINC000059541804 386841569 /nfs/dbraw/zinc/84/15/69/386841569.db2.gz OJIPLFHAWIFRCH-UHFFFAOYSA-N 0 0 224.260 2.169 20 5 BEBDRN CC(C)(C)OCCCCn1cnc([N+](=O)[O-])c1 ZINC000352900497 386955407 /nfs/dbraw/zinc/95/54/07/386955407.db2.gz JGWVGBNHMCMIQY-UHFFFAOYSA-N 0 0 241.291 2.387 20 5 BEBDRN CC(C)[C@@]1(C)C[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000397289483 386951525 /nfs/dbraw/zinc/95/15/25/386951525.db2.gz KSWJFZLHYPSWNK-VXGBXAGGSA-N 0 0 235.287 2.258 20 5 BEBDRN CC[C@@H](C)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000268573763 387033132 /nfs/dbraw/zinc/03/31/32/387033132.db2.gz BEBBVCVOWRVTTD-SSDOTTSWSA-N 0 0 244.678 2.456 20 5 BEBDRN C[C@@H](NCc1ccno1)c1cccc([N+](=O)[O-])c1 ZINC000223668228 387063097 /nfs/dbraw/zinc/06/30/97/387063097.db2.gz CLDGVDWDYDENOV-SECBINFHSA-N 0 0 247.254 2.434 20 5 BEBDRN COC[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000111045566 387071580 /nfs/dbraw/zinc/07/15/80/387071580.db2.gz AKYYCTDMZHPZBR-MRVPVSSYSA-N 0 0 240.259 2.050 20 5 BEBDRN CO[C@H](C)CNc1ccc([N+](=O)[O-])cc1F ZINC000224317669 387080641 /nfs/dbraw/zinc/08/06/41/387080641.db2.gz QWEBMMARTHWBIM-SSDOTTSWSA-N 0 0 228.223 2.181 20 5 BEBDRN CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C)c1 ZINC000053366187 387117116 /nfs/dbraw/zinc/11/71/16/387117116.db2.gz IESHZCDFAMJWJK-UHFFFAOYSA-N 0 0 240.284 2.019 20 5 BEBDRN CO[C@H](C)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000224329015 387125319 /nfs/dbraw/zinc/12/53/19/387125319.db2.gz INMWYPAHMJUOEJ-SSDOTTSWSA-N 0 0 228.223 2.181 20 5 BEBDRN CO[C@@H](C)CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000224326372 387125352 /nfs/dbraw/zinc/12/53/52/387125352.db2.gz ILPPRROBGPEJCD-LURJTMIESA-N 0 0 245.666 2.090 20 5 BEBDRN CC(C)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000089204402 387315203 /nfs/dbraw/zinc/31/52/03/387315203.db2.gz CJXBAFRPYSUDOX-UHFFFAOYSA-N 0 0 248.242 2.066 20 5 BEBDRN CC[C@H](CO)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000035606415 387373767 /nfs/dbraw/zinc/37/37/67/387373767.db2.gz HRSAFFFBNDWFML-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN C[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)[C@@H]1C ZINC000192476762 387375630 /nfs/dbraw/zinc/37/56/30/387375630.db2.gz YCNACNGNWKIFAF-RNFRBKRXSA-N 0 0 227.289 2.286 20 5 BEBDRN C[C@@H]1[C@@H](C)CCN1c1ncc([N+](=O)[O-])s1 ZINC000192476768 387376222 /nfs/dbraw/zinc/37/62/22/387376222.db2.gz YCNACNGNWKIFAF-NKWVEPMBSA-N 0 0 227.289 2.286 20 5 BEBDRN CC(C)C[C@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000035663880 387382862 /nfs/dbraw/zinc/38/28/62/387382862.db2.gz UGUKQFFBSARUSJ-QMMMGPOBSA-N 0 0 226.280 2.175 20 5 BEBDRN CC(F)(F)CCCNc1ncc([N+](=O)[O-])cn1 ZINC000294916773 387541513 /nfs/dbraw/zinc/54/15/13/387541513.db2.gz JNBFGEFZQUOAOL-UHFFFAOYSA-N 0 0 246.217 2.232 20 5 BEBDRN CCOCCNc1ccc([N+](=O)[O-])cc1 ZINC000036229999 387887270 /nfs/dbraw/zinc/88/72/70/387887270.db2.gz TYMWMJQKKOBDAQ-UHFFFAOYSA-N 0 0 210.233 2.043 20 5 BEBDRN CC[C@@H](C)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000046147519 388009744 /nfs/dbraw/zinc/00/97/44/388009744.db2.gz MFNHSWREOAUYMC-SECBINFHSA-N 0 0 236.271 2.257 20 5 BEBDRN CN(CCF)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000296624654 388025339 /nfs/dbraw/zinc/02/53/39/388025339.db2.gz QMKCGUKJQACEGY-UHFFFAOYSA-N 0 0 241.222 2.028 20 5 BEBDRN O=[N+]([O-])c1ccccc1CSc1c[nH]nn1 ZINC000490436266 388345072 /nfs/dbraw/zinc/34/50/72/388345072.db2.gz LSSNFLYOJJJGJK-UHFFFAOYSA-N 0 0 236.256 2.005 20 5 BEBDRN CC(C)N(C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000193388429 388345283 /nfs/dbraw/zinc/34/52/83/388345283.db2.gz LVTVBWHSTWWBJB-UHFFFAOYSA-N 0 0 228.273 2.137 20 5 BEBDRN CN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000491318486 388349437 /nfs/dbraw/zinc/34/94/37/388349437.db2.gz FEPIXYCGJLSKFQ-TWGQIWQCSA-N 0 0 246.266 2.229 20 5 BEBDRN CCCN(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491859648 388351322 /nfs/dbraw/zinc/35/13/22/388351322.db2.gz OTWYABAKNVGCPO-HJWRWDBZSA-N 0 0 248.282 2.476 20 5 BEBDRN O=C(/C=C\C1CC1)NCc1ccccc1[N+](=O)[O-] ZINC000491950299 388352782 /nfs/dbraw/zinc/35/27/82/388352782.db2.gz RKNZUJBXYPZASW-FPLPWBNLSA-N 0 0 246.266 2.177 20 5 BEBDRN Cc1cnc(COc2ccccc2[N+](=O)[O-])cn1 ZINC000352551676 388361627 /nfs/dbraw/zinc/36/16/27/388361627.db2.gz ZVJZZVPXKKAXIA-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(Oc2cccnn2)c1 ZINC000548746478 388367928 /nfs/dbraw/zinc/36/79/28/388367928.db2.gz JIMLXRHRQJVIKJ-UHFFFAOYSA-N 0 0 231.211 2.486 20 5 BEBDRN Cc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000076032855 388370345 /nfs/dbraw/zinc/37/03/45/388370345.db2.gz XLBLUWRQGNXJDU-WCBMZHEXSA-N 0 0 249.270 2.433 20 5 BEBDRN Cc1c(CC(=O)OC(C)C)cccc1[N+](=O)[O-] ZINC000353639514 388372046 /nfs/dbraw/zinc/37/20/46/388372046.db2.gz WJNZOWDGKQTLEV-UHFFFAOYSA-N 0 0 237.255 2.397 20 5 BEBDRN Cc1ccc(N[C@@H](C)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000228128154 388379132 /nfs/dbraw/zinc/37/91/32/388379132.db2.gz DSYRDXAPHJFABW-VHSXEESVSA-N 0 0 238.287 2.475 20 5 BEBDRN CO[C@@H](C)COc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000354551855 388380849 /nfs/dbraw/zinc/38/08/49/388380849.db2.gz ZCFVFFOADZJYEU-VIFPVBQESA-N 0 0 240.259 2.020 20 5 BEBDRN C[C@H](C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000251993243 388387465 /nfs/dbraw/zinc/38/74/65/388387465.db2.gz JSCOIYRFZZSOIG-SSDOTTSWSA-N 0 0 238.243 2.058 20 5 BEBDRN CO[C@@H](C)[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000229376656 388391308 /nfs/dbraw/zinc/39/13/08/388391308.db2.gz CIWSEOFOWMESKK-BDAKNGLRSA-N 0 0 224.260 2.430 20 5 BEBDRN CC(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229561028 388393663 /nfs/dbraw/zinc/39/36/63/388393663.db2.gz DEUBCWDXUJFAQG-UHFFFAOYSA-N 0 0 226.207 2.328 20 5 BEBDRN C[C@@H](NC(=O)N1CCC1)c1ccccc1[N+](=O)[O-] ZINC000271764634 388402592 /nfs/dbraw/zinc/40/25/92/388402592.db2.gz WHRHRSCLXSKADT-SECBINFHSA-N 0 0 249.270 2.071 20 5 BEBDRN CC[C@](C)(CNc1ccncc1[N+](=O)[O-])OC ZINC000322619608 388441335 /nfs/dbraw/zinc/44/13/35/388441335.db2.gz NCNOPTUNEDANPH-LLVKDONJSA-N 0 0 239.275 2.217 20 5 BEBDRN CC[C@@H](COC)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000090692407 388471952 /nfs/dbraw/zinc/47/19/52/388471952.db2.gz DWZXTOFSANRRID-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN CC[C@H](NC(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000090466494 388424650 /nfs/dbraw/zinc/42/46/50/388424650.db2.gz NRMRNESITSXQMB-NSHDSACASA-N 0 0 222.244 2.182 20 5 BEBDRN CCc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000174178198 388437015 /nfs/dbraw/zinc/43/70/15/388437015.db2.gz IWXZFHOBRBSCFL-KWQFWETISA-N 0 0 248.282 2.295 20 5 BEBDRN CCN(CC(F)F)c1ccc([N+](=O)[O-])c(C)n1 ZINC000273178349 388590808 /nfs/dbraw/zinc/59/08/08/388590808.db2.gz ANOGWWKXSDAOJB-UHFFFAOYSA-N 0 0 245.229 2.390 20 5 BEBDRN CCN(CC(F)F)c1ncccc1[N+](=O)[O-] ZINC000273179997 388591275 /nfs/dbraw/zinc/59/12/75/388591275.db2.gz AUHIJDXBMSNRTF-UHFFFAOYSA-N 0 0 231.202 2.081 20 5 BEBDRN CC(C)[C@@](C)(O)CNc1ccccc1[N+](=O)[O-] ZINC000301246327 388558425 /nfs/dbraw/zinc/55/84/25/388558425.db2.gz LDYSCJCSFDAYFN-LBPRGKRZSA-N 0 0 238.287 2.414 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CC3CCC2CC3)nc1 ZINC000311076250 388673334 /nfs/dbraw/zinc/67/33/34/388673334.db2.gz NHWYLMRRQVFSSH-NWGYLPEXSA-N 0 0 248.286 2.375 20 5 BEBDRN O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CC12CC2 ZINC000418099629 388675485 /nfs/dbraw/zinc/67/54/85/388675485.db2.gz QCVVIWWNOAYIGA-LLVKDONJSA-N 0 0 232.283 2.485 20 5 BEBDRN Cc1c(C(=O)N[C@@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000298932917 388675999 /nfs/dbraw/zinc/67/59/99/388675999.db2.gz DPLRMSDPOGONIU-LLVKDONJSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1ccc(Oc2cccc[n+]2[O-])c([N+](=O)[O-])c1 ZINC000301772983 388677307 /nfs/dbraw/zinc/67/73/07/388677307.db2.gz MBBAHOASAOLUOI-UHFFFAOYSA-N 0 0 246.222 2.329 20 5 BEBDRN COCc1noc(-c2cc(C)ccc2[N+](=O)[O-])n1 ZINC000525239073 388680398 /nfs/dbraw/zinc/68/03/98/388680398.db2.gz QMBXZJGAIDNYEU-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN CN(CC1CCCC1)c1ncc([N+](=O)[O-])cn1 ZINC000273616250 388620823 /nfs/dbraw/zinc/62/08/23/388620823.db2.gz NKIVJMRTIJCWSN-UHFFFAOYSA-N 0 0 236.275 2.011 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCOC2)c1 ZINC000094659462 388637236 /nfs/dbraw/zinc/63/72/36/388637236.db2.gz MDYMJOPEGZGDJQ-SNVBAGLBSA-N 0 0 236.271 2.352 20 5 BEBDRN COCC[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000161543350 388664688 /nfs/dbraw/zinc/66/46/88/388664688.db2.gz CPFPEYKKNVWHQP-QMMMGPOBSA-N 0 0 239.275 2.135 20 5 BEBDRN CC(C)[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000447067159 388735203 /nfs/dbraw/zinc/73/52/03/388735203.db2.gz JJVCWGBSGKDOHZ-SNVBAGLBSA-N 0 0 235.287 2.472 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1NCC1CC1)CCN2 ZINC000275308787 388735215 /nfs/dbraw/zinc/73/52/15/388735215.db2.gz BTHZQGOWOYTMIM-UHFFFAOYSA-N 0 0 233.271 2.385 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1N1CCC1 ZINC000298083811 388735556 /nfs/dbraw/zinc/73/55/56/388735556.db2.gz HVRBRGCBYPENHA-UHFFFAOYSA-N 0 0 212.636 2.458 20 5 BEBDRN CO[C@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000276361458 388739790 /nfs/dbraw/zinc/73/97/90/388739790.db2.gz VWHGCYDEYHNVRR-IONNQARKSA-N 0 0 239.275 2.134 20 5 BEBDRN CO[C@@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000276361455 388739863 /nfs/dbraw/zinc/73/98/63/388739863.db2.gz VWHGCYDEYHNVRR-CBAPKCEASA-N 0 0 239.275 2.134 20 5 BEBDRN CO[C@@H](C)[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000276268238 388740235 /nfs/dbraw/zinc/74/02/35/388740235.db2.gz GTGZFZIBVBLEJT-IUCAKERBSA-N 0 0 239.275 2.134 20 5 BEBDRN CC1(CSc2ccc([N+](=O)[O-])cn2)COC1 ZINC000448042422 388740331 /nfs/dbraw/zinc/74/03/31/388740331.db2.gz JQLKDHYPGZAQJW-UHFFFAOYSA-N 0 0 240.284 2.118 20 5 BEBDRN CCCC(=O)COc1c(F)cccc1[N+](=O)[O-] ZINC000124291053 388744278 /nfs/dbraw/zinc/74/42/78/388744278.db2.gz KEFGUTMIRIPLTL-UHFFFAOYSA-N 0 0 241.218 2.482 20 5 BEBDRN CC(C)CCNc1ccc([N+](=O)[O-])cn1 ZINC000020006199 388753180 /nfs/dbraw/zinc/75/31/80/388753180.db2.gz JDINRJRZRCBPDO-UHFFFAOYSA-N 0 0 209.249 2.448 20 5 BEBDRN C[C@H](CO)SCc1c(F)cccc1[N+](=O)[O-] ZINC000079102073 388692920 /nfs/dbraw/zinc/69/29/20/388692920.db2.gz ZDQLHIUZRRKXSL-SSDOTTSWSA-N 0 0 245.275 2.348 20 5 BEBDRN CO[C@@H](COc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000424077355 388693681 /nfs/dbraw/zinc/69/36/81/388693681.db2.gz BKXILTDVGXQCAN-LBPRGKRZSA-N 0 0 237.255 2.399 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC12CC2 ZINC000425269959 388702478 /nfs/dbraw/zinc/70/24/78/388702478.db2.gz DXYISOADAUBSOD-VIFPVBQESA-N 0 0 219.244 2.263 20 5 BEBDRN O=[N+]([O-])c1cccnc1SCc1ccon1 ZINC000115965811 388704524 /nfs/dbraw/zinc/70/45/24/388704524.db2.gz GORLPHLMPWHCGK-UHFFFAOYSA-N 0 0 237.240 2.270 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC23CCOCC3)cc1 ZINC000372965927 388708497 /nfs/dbraw/zinc/70/84/97/388708497.db2.gz FDFCFCAHDVLLCU-UHFFFAOYSA-N 0 0 248.282 2.354 20 5 BEBDRN Cn1cc(Nc2sccc2[N+](=O)[O-])cn1 ZINC000301932314 388714647 /nfs/dbraw/zinc/71/46/47/388714647.db2.gz MLZSKONJBVVHOI-UHFFFAOYSA-N 0 0 224.245 2.133 20 5 BEBDRN Nc1ccc(N2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000376451933 388721852 /nfs/dbraw/zinc/72/18/52/388721852.db2.gz XKDPIUSPXRPMSX-SNVBAGLBSA-N 0 0 247.298 2.413 20 5 BEBDRN C[C@@H](CCO)CNc1sccc1[N+](=O)[O-] ZINC000301987449 388726346 /nfs/dbraw/zinc/72/63/46/388726346.db2.gz DHUPNXFOEACWAV-ZETCQYMHSA-N 0 0 230.289 2.087 20 5 BEBDRN CCCCCCNc1ncc([N+](=O)[O-])cn1 ZINC000070020184 388726604 /nfs/dbraw/zinc/72/66/04/388726604.db2.gz VCLRQKQGTIQBFI-UHFFFAOYSA-N 0 0 224.264 2.377 20 5 BEBDRN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)C1CCCC1 ZINC000070307406 388730062 /nfs/dbraw/zinc/73/00/62/388730062.db2.gz JOYIPELRPVDXHI-MRVPVSSYSA-N 0 0 236.275 2.375 20 5 BEBDRN O=[N+]([O-])c1ccccc1Oc1ncc(F)cn1 ZINC000446980834 388733810 /nfs/dbraw/zinc/73/38/10/388733810.db2.gz MFMQGGKEKKPRQY-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN Cc1cc(C(=O)OC(C)C)cc([N+](=O)[O-])c1 ZINC000124957830 388762486 /nfs/dbraw/zinc/76/24/86/388762486.db2.gz RNGQFKZGXDRBCK-UHFFFAOYSA-N 0 0 223.228 2.468 20 5 BEBDRN C[C@@H](NC(=O)C(F)F)c1ccccc1[N+](=O)[O-] ZINC000280267201 388782519 /nfs/dbraw/zinc/78/25/19/388782519.db2.gz OHZFSTPEJDTQKU-ZCFIWIBFSA-N 0 0 244.197 2.037 20 5 BEBDRN CCOc1ccc([N+](=O)[O-])cc1CNCCF ZINC000280585892 388782857 /nfs/dbraw/zinc/78/28/57/388782857.db2.gz ASFMZRLDKWTXHM-UHFFFAOYSA-N 0 0 242.250 2.053 20 5 BEBDRN COC[C@@H]1CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000090515137 388789124 /nfs/dbraw/zinc/78/91/24/388789124.db2.gz FAHCILRGFKDZNU-LBPRGKRZSA-N 0 0 236.271 2.210 20 5 BEBDRN CC(C)(C)SCCn1nccc1[N+](=O)[O-] ZINC000282574619 388817247 /nfs/dbraw/zinc/81/72/47/388817247.db2.gz BXXBLDDMKGNIQS-UHFFFAOYSA-N 0 0 229.305 2.323 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H](F)C1 ZINC000335405426 388828966 /nfs/dbraw/zinc/82/89/66/388828966.db2.gz AAQCKDDHMKMBKQ-NSHDSACASA-N 0 0 238.262 2.447 20 5 BEBDRN O=[N+]([O-])c1cnc(N2C[C@@H]3CCCC[C@H]3C2)nc1 ZINC000302092269 388837072 /nfs/dbraw/zinc/83/70/72/388837072.db2.gz HMSAUVJLNWWGLY-UWVGGRQHSA-N 0 0 248.286 2.011 20 5 BEBDRN Cc1cnc(NC2CC=CC2)c([N+](=O)[O-])c1 ZINC000131099753 388837911 /nfs/dbraw/zinc/83/79/11/388837911.db2.gz YQSYOZVNYLNJNO-UHFFFAOYSA-N 0 0 219.244 2.429 20 5 BEBDRN CCOCCSc1ncccc1[N+](=O)[O-] ZINC000299369184 388838044 /nfs/dbraw/zinc/83/80/44/388838044.db2.gz RZWVKUMDFKUYEI-UHFFFAOYSA-N 0 0 228.273 2.118 20 5 BEBDRN Cc1ccc(Oc2ccccc2[N+](=O)[O-])c[n+]1[O-] ZINC000302230836 388840221 /nfs/dbraw/zinc/84/02/21/388840221.db2.gz XDJOZIZLNUFICM-UHFFFAOYSA-N 0 0 246.222 2.329 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC2(C3CC3)CCC2)nc1 ZINC000302216739 388841144 /nfs/dbraw/zinc/84/11/44/388841144.db2.gz JWGLTAYFOMFTJE-UHFFFAOYSA-N 0 0 248.286 2.377 20 5 BEBDRN Cc1c(OCc2nccn2C)cccc1[N+](=O)[O-] ZINC000124051994 177624706 /nfs/dbraw/zinc/62/47/06/177624706.db2.gz KZSJRNITUYOOSD-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1cnc(N2[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000530484232 322815171 /nfs/dbraw/zinc/81/51/71/322815171.db2.gz YYEOHJUYTBDQDR-DTORHVGOSA-N 0 0 221.260 2.285 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCO[C@H](C)C2)c1 ZINC000268071435 132191206 /nfs/dbraw/zinc/19/12/06/132191206.db2.gz CRIRGOUVADGNEU-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000271678411 132199661 /nfs/dbraw/zinc/19/96/61/132199661.db2.gz YLVIRVBMXRRTSW-STQMWFEESA-N 0 0 248.282 2.353 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCO[C@H]3CCC[C@H]32)cc1 ZINC000271678404 132199679 /nfs/dbraw/zinc/19/96/79/132199679.db2.gz YLVIRVBMXRRTSW-OLZOCXBDSA-N 0 0 248.282 2.353 20 5 BEBDRN Cc1cc(N2CCC=C(F)C2)ncc1[N+](=O)[O-] ZINC000272550406 132200659 /nfs/dbraw/zinc/20/06/59/132200659.db2.gz RCLQMSYPOBXUHK-UHFFFAOYSA-N 0 0 237.234 2.362 20 5 BEBDRN CC[C@H]1CCCCN1c1ncc([N+](=O)[O-])cn1 ZINC000273229062 132201535 /nfs/dbraw/zinc/20/15/35/132201535.db2.gz WPPWWURBXPYECE-VIFPVBQESA-N 0 0 236.275 2.154 20 5 BEBDRN C[C@H]1CC[C@H](C)N(c2ncc([N+](=O)[O-])cn2)C1 ZINC000273633138 132202044 /nfs/dbraw/zinc/20/20/44/132202044.db2.gz QPTYJZSUUQHKLZ-IUCAKERBSA-N 0 0 236.275 2.010 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@H]3CCC[C@@H]32)nc1 ZINC000273607507 132202267 /nfs/dbraw/zinc/20/22/67/132202267.db2.gz KXHWNYOGJHXIDA-KOLCDFICSA-N 0 0 248.286 2.154 20 5 BEBDRN Cc1nc(N2CCC=C(F)C2)ccc1[N+](=O)[O-] ZINC000274344550 132202779 /nfs/dbraw/zinc/20/27/79/132202779.db2.gz ZVWVHLOCIQBPHT-UHFFFAOYSA-N 0 0 237.234 2.362 20 5 BEBDRN CC1=CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000280749533 132210879 /nfs/dbraw/zinc/21/08/79/132210879.db2.gz MCYSKHRJJQWAGC-UHFFFAOYSA-N 0 0 219.244 2.146 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H](C3CC3)C2)nc1 ZINC000288146168 132216257 /nfs/dbraw/zinc/21/62/57/132216257.db2.gz GGQRYKAMJUWJBH-SNVBAGLBSA-N 0 0 248.286 2.011 20 5 BEBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000298309151 132222169 /nfs/dbraw/zinc/22/21/69/132222169.db2.gz NZIXVSWAAQEMPO-VHSXEESVSA-N 0 0 236.271 2.208 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCCC3(CC3)C2)nc1 ZINC000302235372 132262349 /nfs/dbraw/zinc/26/23/49/132262349.db2.gz FCPVRSVLYOAEHT-UHFFFAOYSA-N 0 0 233.271 2.370 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC=C(F)C2)cn1 ZINC000362633298 132281825 /nfs/dbraw/zinc/28/18/25/132281825.db2.gz JILOKAYVSWMCDC-UHFFFAOYSA-N 0 0 223.207 2.053 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC3(CCC3)CC2)nc1 ZINC000367734618 132282234 /nfs/dbraw/zinc/28/22/34/132282234.db2.gz QPKGHPVKUZJQCY-UHFFFAOYSA-N 0 0 248.286 2.155 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N1C[C@H]2CC[C@@H](C1)O2 ZINC000369960687 132284464 /nfs/dbraw/zinc/28/44/64/132284464.db2.gz OOYAGBKNFFDGTP-TXEJJXNPSA-N 0 0 248.282 2.271 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCO[C@H](C3CC3)C2)cc1 ZINC000375333441 132288043 /nfs/dbraw/zinc/28/80/43/132288043.db2.gz PRFMUUCAADQVDQ-ZDUSSCGKSA-N 0 0 248.282 2.210 20 5 BEBDRN C[C@@H]1C[C@@H](C)CN(c2ncccc2[N+](=O)[O-])C1 ZINC000038556894 132346511 /nfs/dbraw/zinc/34/65/11/132346511.db2.gz FWCFPJLWMXILIA-NXEZZACHSA-N 0 0 235.287 2.472 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1N1CCSCC1 ZINC000048805708 132355521 /nfs/dbraw/zinc/35/55/21/132355521.db2.gz GJJMUXJGLSLCLC-UHFFFAOYSA-N 0 0 242.275 2.287 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2CCCCC2)c1 ZINC000141045933 132362324 /nfs/dbraw/zinc/36/23/24/132362324.db2.gz NZDOATDHRGJXOE-UHFFFAOYSA-N 0 0 221.260 2.167 20 5 BEBDRN Cc1cc(NC(=O)C(C)C)ccc1[N+](=O)[O-] ZINC000075282677 133448721 /nfs/dbraw/zinc/44/87/21/133448721.db2.gz NWVJXKLUAJCIPW-UHFFFAOYSA-N 0 0 222.244 2.498 20 5 BEBDRN CCN(C[C@@H](C)O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000343259869 133643605 /nfs/dbraw/zinc/64/36/05/133643605.db2.gz ZZERZAFRNZCWCJ-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1noc(-c2cc(F)cc([N+](=O)[O-])c2)n1 ZINC000349782281 133912137 /nfs/dbraw/zinc/91/21/37/133912137.db2.gz MJKIKXHLDRYGGD-UHFFFAOYSA-N 0 0 223.163 2.092 20 5 BEBDRN CCC(=O)COc1c(Cl)cncc1[N+](=O)[O-] ZINC000349946597 133927004 /nfs/dbraw/zinc/92/70/04/133927004.db2.gz KKQTVMOQESOBGF-UHFFFAOYSA-N 0 0 244.634 2.001 20 5 BEBDRN Cc1nc(-c2cc([N+](=O)[O-])c[nH]2)cs1 ZINC000335911116 133988920 /nfs/dbraw/zinc/98/89/20/133988920.db2.gz ZQCYXDQGXYMRFW-UHFFFAOYSA-N 0 0 209.230 2.355 20 5 BEBDRN CC1=CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000336164139 134112160 /nfs/dbraw/zinc/11/21/60/134112160.db2.gz BFTVXUCMHGNOMI-UHFFFAOYSA-N 0 0 246.266 2.387 20 5 BEBDRN C[C@@H]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000336184174 134120634 /nfs/dbraw/zinc/12/06/34/134120634.db2.gz CDJLGGOJUASLPI-ZJUUUORDSA-N 0 0 248.282 2.465 20 5 BEBDRN O=C(NCCC1CC1)c1ccccc1[N+](=O)[O-] ZINC000174672902 134283308 /nfs/dbraw/zinc/28/33/08/134283308.db2.gz JCNXONMYKXNRSR-UHFFFAOYSA-N 0 0 234.255 2.125 20 5 BEBDRN O=[N+]([O-])c1ccc(SC[C@H]2CCOC2)nc1 ZINC000178752004 134310768 /nfs/dbraw/zinc/31/07/68/134310768.db2.gz WVLIBDZQFGOPSN-QMMMGPOBSA-N 0 0 240.284 2.118 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCOCC2CC2)cc1 ZINC000181482013 134336883 /nfs/dbraw/zinc/33/68/83/134336883.db2.gz BHGLYEFHMJHFOF-UHFFFAOYSA-N 0 0 237.255 2.400 20 5 BEBDRN CSCCCNc1ccc([N+](=O)[O-])nc1 ZINC000069012791 134399375 /nfs/dbraw/zinc/39/93/75/134399375.db2.gz SKERMXWIIDFMHT-UHFFFAOYSA-N 0 0 227.289 2.155 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@H](C)C[C@@H](C)O ZINC000228133781 134408382 /nfs/dbraw/zinc/40/83/82/134408382.db2.gz VZQLTUYYIGXSSH-NXEZZACHSA-N 0 0 238.287 2.475 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(NCCCCCO)c1 ZINC000229141398 134439100 /nfs/dbraw/zinc/43/91/00/134439100.db2.gz UKECJNWYMOAERP-UHFFFAOYSA-N 0 0 242.250 2.308 20 5 BEBDRN Cc1c(OCCn2cccn2)cccc1[N+](=O)[O-] ZINC000063537680 134551631 /nfs/dbraw/zinc/55/16/31/134551631.db2.gz ABJWWQULZOXAHY-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN Cc1cnc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c([N+](=O)[O-])c1 ZINC000158743536 134747624 /nfs/dbraw/zinc/74/76/24/134747624.db2.gz GVVWIQPARVIUNU-KKZNHRDASA-N 0 0 249.270 2.030 20 5 BEBDRN Cc1cccc(NCc2cccnn2)c1[N+](=O)[O-] ZINC000235908913 134816779 /nfs/dbraw/zinc/81/67/79/134816779.db2.gz BCQZBLVYORFPRI-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000084726802 135474916 /nfs/dbraw/zinc/47/49/16/135474916.db2.gz FKNCKSGHJFLNCS-UHFFFAOYSA-N 0 0 203.201 2.089 20 5 BEBDRN Cc1ccnc(N[C@@H]2C[C@H]2C(F)F)c1[N+](=O)[O-] ZINC000343782178 135701746 /nfs/dbraw/zinc/70/17/46/135701746.db2.gz NPRXLPSZXAADDZ-RNFRBKRXSA-N 0 0 243.213 2.364 20 5 BEBDRN CCCn1ccc2cc([N+](=O)[O-])ccc2c1=O ZINC000335341188 136064087 /nfs/dbraw/zinc/06/40/87/136064087.db2.gz GHXLECSJAGSBRZ-UHFFFAOYSA-N 0 0 232.239 2.320 20 5 BEBDRN O=c1c(F)cc([N+](=O)[O-])cn1C1CCCC1 ZINC000335357973 136075177 /nfs/dbraw/zinc/07/51/77/136075177.db2.gz GVNCFLVJSYJPQG-UHFFFAOYSA-N 0 0 226.207 2.011 20 5 BEBDRN CCC1CN(C(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000335572083 136110053 /nfs/dbraw/zinc/11/00/53/136110053.db2.gz XPRUFMOLYBYPLC-UHFFFAOYSA-N 0 0 240.284 2.138 20 5 BEBDRN CC[C@@H](COC)Nc1ccc([N+](=O)[O-])cc1 ZINC000059539093 398075598 /nfs/dbraw/zinc/07/55/98/398075598.db2.gz JXXOVLGDHGOROZ-VIFPVBQESA-N 0 0 224.260 2.432 20 5 BEBDRN CC(C)=CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000191793603 398124913 /nfs/dbraw/zinc/12/49/13/398124913.db2.gz ZFGQAOYFWDJZGY-UHFFFAOYSA-N 0 0 240.284 2.352 20 5 BEBDRN CC(C)CNc1ccc(N)cc1[N+](=O)[O-] ZINC000071511459 167016338 /nfs/dbraw/zinc/01/63/38/167016338.db2.gz SBHJOXFEKKVRAD-UHFFFAOYSA-N 0 0 209.249 2.245 20 5 BEBDRN Cc1cc(NC(=O)c2ccon2)cc([N+](=O)[O-])c1 ZINC001648036163 1172793447 /nfs/dbraw/zinc/79/34/47/1172793447.db2.gz ASEQVNFUPCRCIB-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN C[C@@H](NCC1=NOCC1)c1ccccc1[N+](=O)[O-] ZINC001648228940 1172810801 /nfs/dbraw/zinc/81/08/01/1172810801.db2.gz LXKJRFMSAHBRCV-SECBINFHSA-N 0 0 249.270 2.022 20 5 BEBDRN Cc1ccnc(CNc2ccc([N+](=O)[O-])cc2)n1 ZINC001651958602 1173013163 /nfs/dbraw/zinc/01/31/63/1173013163.db2.gz GUQADHUWHFARGN-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC(C)[C@@H](O)COc1ccsc1[N+](=O)[O-] ZINC001651991621 1173020683 /nfs/dbraw/zinc/02/06/83/1173020683.db2.gz ZXDXFIXRKZKSMW-ZETCQYMHSA-N 0 0 231.273 2.052 20 5 BEBDRN O=[N+]([O-])c1sccc1OCCc1cnoc1 ZINC001651991022 1173020342 /nfs/dbraw/zinc/02/03/42/1173020342.db2.gz OJBNFAGQQCSCFH-UHFFFAOYSA-N 0 0 240.240 2.266 20 5 BEBDRN O=[N+]([O-])c1sccc1OCc1csnn1 ZINC001651991569 1173022342 /nfs/dbraw/zinc/02/23/42/1173022342.db2.gz YFESVQZLGJJHNK-UHFFFAOYSA-N 0 0 243.269 2.087 20 5 BEBDRN C[C@H]1OCC[C@@H]1COc1ccsc1[N+](=O)[O-] ZINC001651990874 1173022780 /nfs/dbraw/zinc/02/27/80/1173022780.db2.gz LXVOESRFRIDIHF-HTQZYQBOSA-N 0 0 243.284 2.460 20 5 BEBDRN COC(C)(C)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000340572949 410464889 /nfs/dbraw/zinc/46/48/89/410464889.db2.gz WFARBZFKBRELMH-UHFFFAOYSA-N 0 0 241.291 2.223 20 5 BEBDRN CC(C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006306655 167037444 /nfs/dbraw/zinc/03/74/44/167037444.db2.gz OTSRMLIWNZGUET-BQYQJAHWSA-N 0 0 234.255 2.133 20 5 BEBDRN CC(C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000048297468 167086327 /nfs/dbraw/zinc/08/63/27/167086327.db2.gz BKVOHPSCXUFTFA-UHFFFAOYSA-N 0 0 247.254 2.214 20 5 BEBDRN CC(C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000035923808 167148969 /nfs/dbraw/zinc/14/89/69/167148969.db2.gz FELKWCNZOXAFHN-UHFFFAOYSA-N 0 0 220.232 2.063 20 5 BEBDRN CC(C)OCCCNc1ncccc1[N+](=O)[O-] ZINC000057364332 167226349 /nfs/dbraw/zinc/22/63/49/167226349.db2.gz QXSODSMZNNEEEY-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN CC(C)OCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286933964 167246515 /nfs/dbraw/zinc/24/65/15/167246515.db2.gz QVAILIQTUCHUGX-UHFFFAOYSA-N 0 0 239.275 2.014 20 5 BEBDRN Cc1ccnc(N2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301306498 411131523 /nfs/dbraw/zinc/13/15/23/411131523.db2.gz UZGKXLFPNKYZMV-MRVPVSSYSA-N 0 0 221.260 2.144 20 5 BEBDRN CC(F)(F)CCNc1ccc([N+](=O)[O-])cn1 ZINC000294157035 167816745 /nfs/dbraw/zinc/81/67/45/167816745.db2.gz ICECOCMGFBTVGH-UHFFFAOYSA-N 0 0 231.202 2.447 20 5 BEBDRN CC/C=C/CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295974764 167854707 /nfs/dbraw/zinc/85/47/07/167854707.db2.gz OWIDJMICIAEKKW-ONEGZZNKSA-N 0 0 234.255 2.291 20 5 BEBDRN CC1=CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000281769411 168102043 /nfs/dbraw/zinc/10/20/43/168102043.db2.gz DBRKYPNDWWNWPP-UHFFFAOYSA-N 0 0 225.273 2.208 20 5 BEBDRN CC1=CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000270034341 168108212 /nfs/dbraw/zinc/10/82/12/168108212.db2.gz BLCHILQUEWVJSC-UHFFFAOYSA-N 0 0 246.266 2.387 20 5 BEBDRN CC1CC(Nc2ncc([N+](=O)[O-])s2)C1 ZINC000226776202 168147863 /nfs/dbraw/zinc/14/78/63/168147863.db2.gz ZKBXFBJGQYFPAH-UHFFFAOYSA-N 0 0 213.262 2.262 20 5 BEBDRN CCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268257466 168233300 /nfs/dbraw/zinc/23/33/00/168233300.db2.gz QPBFYEYVUUJWPO-UHFFFAOYSA-N 0 0 242.662 2.274 20 5 BEBDRN CCC(=O)Oc1cccc([N+](=O)[O-])c1C ZINC000077959080 168251261 /nfs/dbraw/zinc/25/12/61/168251261.db2.gz FHVFIOBGHYSLMO-UHFFFAOYSA-N 0 0 209.201 2.219 20 5 BEBDRN CCC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000277447047 168280631 /nfs/dbraw/zinc/28/06/31/168280631.db2.gz XGIGIJIDRFPNOK-UHFFFAOYSA-N 0 0 239.275 2.089 20 5 BEBDRN CCC(C)(C)CNc1c([N+](=O)[O-])c(C)nn1C ZINC000233007074 168282112 /nfs/dbraw/zinc/28/21/12/168282112.db2.gz XNQPUEZGIAGYTP-UHFFFAOYSA-N 0 0 240.307 2.485 20 5 BEBDRN CCC(C)(C)N(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000346284985 168284599 /nfs/dbraw/zinc/28/45/99/168284599.db2.gz ZDBPUFXAOGUXCM-UHFFFAOYSA-N 0 0 239.275 2.184 20 5 BEBDRN CCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000020448800 168296355 /nfs/dbraw/zinc/29/63/55/168296355.db2.gz YOKYHEGZTJPREK-UHFFFAOYSA-N 0 0 226.232 2.106 20 5 BEBDRN O=[N+]([O-])c1cnc(Nc2cn[nH]c2)c(Cl)c1 ZINC000301297463 411437061 /nfs/dbraw/zinc/43/70/61/411437061.db2.gz YKGLSZCITBIWRO-UHFFFAOYSA-N 0 0 239.622 2.110 20 5 BEBDRN Cc1c(C(=O)NCC2CCC2)cccc1[N+](=O)[O-] ZINC000031441149 411438072 /nfs/dbraw/zinc/43/80/72/411438072.db2.gz HVMFTVGJTRNSEE-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000296415695 170101228 /nfs/dbraw/zinc/10/12/28/170101228.db2.gz MFOYWRDWHLRCTM-UHFFFAOYSA-N 0 0 242.662 2.306 20 5 BEBDRN CCOC(=O)c1cc(OCC)ccc1[N+](=O)[O-] ZINC000338546963 170293043 /nfs/dbraw/zinc/29/30/43/170293043.db2.gz QROJGLXXGGCUGR-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN CCOC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000035333427 170295765 /nfs/dbraw/zinc/29/57/65/170295765.db2.gz FSESIRYZCVBSIP-UHFFFAOYSA-N 0 0 223.228 2.334 20 5 BEBDRN CCOCCCCNc1ccc([N+](=O)[O-])nc1 ZINC000339044618 170370905 /nfs/dbraw/zinc/37/09/05/170370905.db2.gz NJLUTQIXGWDPIY-UHFFFAOYSA-N 0 0 239.275 2.218 20 5 BEBDRN CCOCCCNc1ccc(N)cc1[N+](=O)[O-] ZINC000286187385 170383750 /nfs/dbraw/zinc/38/37/50/170383750.db2.gz BIULKSSUQUUXKF-UHFFFAOYSA-N 0 0 239.275 2.016 20 5 BEBDRN CCOCCCOc1ncc(C)cc1[N+](=O)[O-] ZINC000357161053 170384511 /nfs/dbraw/zinc/38/45/11/170384511.db2.gz QUEXORQQQYXRPZ-UHFFFAOYSA-N 0 0 240.259 2.104 20 5 BEBDRN CCOCCCOc1cccc([N+](=O)[O-])c1 ZINC000125792445 170385094 /nfs/dbraw/zinc/38/50/94/170385094.db2.gz JORBGTAYDWDPCR-UHFFFAOYSA-N 0 0 225.244 2.400 20 5 BEBDRN CCOCCCOc1ccccc1[N+](=O)[O-] ZINC000125788542 170385190 /nfs/dbraw/zinc/38/51/90/170385190.db2.gz XTHSWQVMRPMABV-UHFFFAOYSA-N 0 0 225.244 2.400 20 5 BEBDRN CCOCCNc1c(F)cccc1[N+](=O)[O-] ZINC000286349159 170416031 /nfs/dbraw/zinc/41/60/31/170416031.db2.gz KVPIQIZPSFQYQD-UHFFFAOYSA-N 0 0 228.223 2.182 20 5 BEBDRN CCOCCNc1ccc([N+](=O)[O-])cc1C ZINC000036230003 170416802 /nfs/dbraw/zinc/41/68/02/170416802.db2.gz QOTDKLVWVADXAL-UHFFFAOYSA-N 0 0 224.260 2.352 20 5 BEBDRN Cc1cc(C(=O)N[C@@H]2CC2(C)C)cc([N+](=O)[O-])c1 ZINC000299240097 411581722 /nfs/dbraw/zinc/58/17/22/411581722.db2.gz QQRAPDYWJQKWFL-LLVKDONJSA-N 0 0 248.282 2.432 20 5 BEBDRN CCOc1cccc(NCCOC)c1[N+](=O)[O-] ZINC000134900441 170581733 /nfs/dbraw/zinc/58/17/33/170581733.db2.gz DVAFFLDCOMISFM-UHFFFAOYSA-N 0 0 240.259 2.052 20 5 BEBDRN CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054056139 170748716 /nfs/dbraw/zinc/74/87/16/170748716.db2.gz CCWIMSOCZXWDSL-SSDOTTSWSA-N 0 0 240.234 2.262 20 5 BEBDRN CC[C@@H](C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000035121011 170759617 /nfs/dbraw/zinc/75/96/17/170759617.db2.gz NJHSZIXSARVEDU-ZCFIWIBFSA-N 0 0 236.231 2.341 20 5 BEBDRN Cc1nc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC000218576812 411915952 /nfs/dbraw/zinc/91/59/52/411915952.db2.gz CVZYXJBQMSZIPD-UHFFFAOYSA-N 0 0 221.260 2.289 20 5 BEBDRN CC[C@@H](O)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000123653851 170936267 /nfs/dbraw/zinc/93/62/67/170936267.db2.gz VKGXRFVKKWHMNO-MRVPVSSYSA-N 0 0 243.234 2.192 20 5 BEBDRN CC[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000152804868 171016132 /nfs/dbraw/zinc/01/61/32/171016132.db2.gz RIHNQMLWWGVBFJ-SECBINFHSA-N 0 0 221.260 2.226 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000281915883 171139970 /nfs/dbraw/zinc/13/99/70/171139970.db2.gz YRGQXVMKIKDGNJ-BXKDBHETSA-N 0 0 248.282 2.432 20 5 BEBDRN CC[C@@](C)(CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000080882851 171171108 /nfs/dbraw/zinc/17/11/08/171171108.db2.gz JRHAKKSFHGGUFB-NSHDSACASA-N 0 0 242.250 2.307 20 5 BEBDRN CC[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1F ZINC000060374235 171185810 /nfs/dbraw/zinc/18/58/10/171185810.db2.gz JUBUVGPKJVINPD-LLVKDONJSA-N 0 0 242.250 2.307 20 5 BEBDRN CC[C@@](C)(O)CNc1c(F)cccc1[N+](=O)[O-] ZINC000287715618 171186375 /nfs/dbraw/zinc/18/63/75/171186375.db2.gz FPIAYVXHWCVGLI-LLVKDONJSA-N 0 0 242.250 2.307 20 5 BEBDRN CC[C@@](C)(O)CNc1cccc(F)c1[N+](=O)[O-] ZINC000083421579 171186502 /nfs/dbraw/zinc/18/65/02/171186502.db2.gz RZMOSWOFQAZXFD-LLVKDONJSA-N 0 0 242.250 2.307 20 5 BEBDRN CC[C@H](C)CN(C)c1ccc([N+](=O)[O-])nc1 ZINC000340587409 171275717 /nfs/dbraw/zinc/27/57/17/171275717.db2.gz HCRDSIYMYKWFOL-VIFPVBQESA-N 0 0 223.276 2.472 20 5 BEBDRN CC[C@H](C)CN(CC)c1c([N+](=O)[O-])ncn1C ZINC000267094389 171277879 /nfs/dbraw/zinc/27/78/79/171277879.db2.gz NJOACWRWAXFVAR-VIFPVBQESA-N 0 0 240.307 2.201 20 5 BEBDRN CC[C@H](C)CON=c1[nH]cccc1[N+](=O)[O-] ZINC000291848069 171291417 /nfs/dbraw/zinc/29/14/17/171291417.db2.gz MGGBXWCLGCBTPY-QMMMGPOBSA-N 0 0 225.248 2.379 20 5 BEBDRN CC[C@H](C)N(C)c1c([N+](=O)[O-])nc(C)n1CC ZINC000361062856 171309876 /nfs/dbraw/zinc/30/98/76/171309876.db2.gz NQHFRPVMQRQATO-QMMMGPOBSA-N 0 0 240.307 2.354 20 5 BEBDRN CC[C@H](C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299134907 171363502 /nfs/dbraw/zinc/36/35/02/171363502.db2.gz GDDPGSRVULZPPA-JGVFFNPUSA-N 0 0 239.275 2.087 20 5 BEBDRN CCc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000273940622 171994900 /nfs/dbraw/zinc/99/49/00/171994900.db2.gz MNGFXBPWMUQPML-UHFFFAOYSA-N 0 0 247.254 2.439 20 5 BEBDRN CCc1nn(C)cc1Nc1ncccc1[N+](=O)[O-] ZINC000091026260 172043788 /nfs/dbraw/zinc/04/37/88/172043788.db2.gz CTOGHIJBCDXDNG-UHFFFAOYSA-N 0 0 247.258 2.029 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1C[C@@H]1C ZINC000288274689 172137113 /nfs/dbraw/zinc/13/71/13/172137113.db2.gz ZNSOGWFKIVSDKC-IONNQARKSA-N 0 0 238.291 2.188 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1C[C@H]1C ZINC000288274680 172137138 /nfs/dbraw/zinc/13/71/38/172137138.db2.gz ZNSOGWFKIVSDKC-APPZFPTMSA-N 0 0 238.291 2.188 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NCCCCF ZINC000310316380 172137155 /nfs/dbraw/zinc/13/71/55/172137155.db2.gz XNAISQIYPPKBRW-UHFFFAOYSA-N 0 0 244.270 2.281 20 5 BEBDRN CCn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103463258 172148627 /nfs/dbraw/zinc/14/86/27/172148627.db2.gz XIBVWLMZQWLREG-UHFFFAOYSA-N 0 0 217.228 2.478 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NC1CC(C)C1 ZINC000163755599 172248514 /nfs/dbraw/zinc/24/85/14/172248514.db2.gz RUPJSHQPVXWXOG-UHFFFAOYSA-N 0 0 238.291 2.330 20 5 BEBDRN CN(C(=O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000073303839 172299713 /nfs/dbraw/zinc/29/97/13/172299713.db2.gz LDGQIAYBCDSDCM-UHFFFAOYSA-N 0 0 234.255 2.358 20 5 BEBDRN CN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000172694849 172316149 /nfs/dbraw/zinc/31/61/49/172316149.db2.gz YPAWMTQYMDMZFR-UHFFFAOYSA-N 0 0 248.282 2.148 20 5 BEBDRN CN(C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000267247336 172813022 /nfs/dbraw/zinc/81/30/22/172813022.db2.gz TUNUADZSDWDHIY-LBPRGKRZSA-N 0 0 236.271 2.210 20 5 BEBDRN COCCCNc1cccc(OC)c1[N+](=O)[O-] ZINC000114489158 174251832 /nfs/dbraw/zinc/25/18/32/174251832.db2.gz YDOHFPAVVCNKCJ-UHFFFAOYSA-N 0 0 240.259 2.052 20 5 BEBDRN COCCCOc1ccc(OC)c([N+](=O)[O-])c1 ZINC000190179511 174256745 /nfs/dbraw/zinc/25/67/45/174256745.db2.gz WTTRAJIIZOVOJO-UHFFFAOYSA-N 0 0 241.243 2.019 20 5 BEBDRN COCCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000050351808 174340636 /nfs/dbraw/zinc/34/06/36/174340636.db2.gz GCQRISYYSKNYIX-UHFFFAOYSA-N 0 0 230.651 2.307 20 5 BEBDRN COCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000035185761 174341904 /nfs/dbraw/zinc/34/19/04/174341904.db2.gz MYIFJIILDBGROH-UHFFFAOYSA-N 0 0 247.254 2.201 20 5 BEBDRN COCCOc1cc(Cl)ccc1[N+](=O)[O-] ZINC000082238546 174367460 /nfs/dbraw/zinc/36/74/60/174367460.db2.gz VQAYGVMJHSPTEA-UHFFFAOYSA-N 0 0 231.635 2.273 20 5 BEBDRN CO[C@@H](C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000286552263 174705941 /nfs/dbraw/zinc/70/59/41/174705941.db2.gz DQLKXGZABCMRAG-ZETCQYMHSA-N 0 0 228.223 2.181 20 5 BEBDRN CO[C@@H](C)COc1cc([N+](=O)[O-])ccc1C ZINC000180966163 174707174 /nfs/dbraw/zinc/70/71/74/174707174.db2.gz WRMCRARFHRMLBQ-VIFPVBQESA-N 0 0 225.244 2.317 20 5 BEBDRN CO[C@@H](C)COc1cc(C)c([N+](=O)[O-])cc1F ZINC000185646435 174707557 /nfs/dbraw/zinc/70/75/57/174707557.db2.gz ISRMFUDIOQOIAX-QMMMGPOBSA-N 0 0 243.234 2.456 20 5 BEBDRN CO[C@H](C)CN(C)c1c(C)cccc1[N+](=O)[O-] ZINC000286221697 174825656 /nfs/dbraw/zinc/82/56/56/174825656.db2.gz BULYAIIDNWBIAT-SNVBAGLBSA-N 0 0 238.287 2.374 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1C(=O)OC(C)C ZINC000082725989 175017796 /nfs/dbraw/zinc/01/77/96/175017796.db2.gz BRXFIMYTCNADHK-UHFFFAOYSA-N 0 0 239.227 2.169 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1C(=O)OC(C)C ZINC000106001087 175200896 /nfs/dbraw/zinc/20/08/96/175200896.db2.gz BBCLMYVHHOCPDH-UHFFFAOYSA-N 0 0 239.227 2.169 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1OCCCF ZINC000152740630 175201295 /nfs/dbraw/zinc/20/12/95/175201295.db2.gz NVACVETXGQCSOQ-UHFFFAOYSA-N 0 0 229.207 2.342 20 5 BEBDRN COc1ccccc1Cn1cc([N+](=O)[O-])c(C)n1 ZINC000272338274 175335242 /nfs/dbraw/zinc/33/52/42/175335242.db2.gz HHSVKDBSAGUOIM-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN CSCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000242975386 175468825 /nfs/dbraw/zinc/46/88/25/175468825.db2.gz HPKSCUISLSPTER-UHFFFAOYSA-N 0 0 240.284 2.286 20 5 BEBDRN CSCCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161556446 175488190 /nfs/dbraw/zinc/48/81/90/175488190.db2.gz MTYRJXGFXDLOBQ-UHFFFAOYSA-N 0 0 241.316 2.463 20 5 BEBDRN CSC[C@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000124724834 175525785 /nfs/dbraw/zinc/52/57/85/175525785.db2.gz NERQYSVBXFYZBK-ZETCQYMHSA-N 0 0 227.289 2.153 20 5 BEBDRN C[C@@H](CCO)CCNc1ccc([N+](=O)[O-])cc1 ZINC000294871129 175676124 /nfs/dbraw/zinc/67/61/24/175676124.db2.gz DZWYHJDMOZBWGV-SNVBAGLBSA-N 0 0 238.287 2.415 20 5 BEBDRN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccon1 ZINC000341925085 175931414 /nfs/dbraw/zinc/93/14/14/175931414.db2.gz GPPDDAOBXOQSBN-SSDOTTSWSA-N 0 0 234.215 2.151 20 5 BEBDRN C[C@@H](O)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000078771584 175960674 /nfs/dbraw/zinc/96/06/74/175960674.db2.gz QPEKBSAMGWWTLU-SSDOTTSWSA-N 0 0 244.678 2.431 20 5 BEBDRN C[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000060249422 176107136 /nfs/dbraw/zinc/10/71/36/176107136.db2.gz CGVXOVRCQHHOHW-SECBINFHSA-N 0 0 234.255 2.219 20 5 BEBDRN C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000177115689 176163581 /nfs/dbraw/zinc/16/35/81/176163581.db2.gz MEBPERYVMROCKV-NXEZZACHSA-N 0 0 248.282 2.465 20 5 BEBDRN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000177067230 176163810 /nfs/dbraw/zinc/16/38/10/176163810.db2.gz YWZCKNGVUNLNTD-NXEZZACHSA-N 0 0 248.282 2.465 20 5 BEBDRN C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269375357 176182303 /nfs/dbraw/zinc/18/23/03/176182303.db2.gz NNCPKRFAVWYQHK-SSDOTTSWSA-N 0 0 241.678 2.489 20 5 BEBDRN C[C@@H]1CC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000336705125 176218136 /nfs/dbraw/zinc/21/81/36/176218136.db2.gz RAOQMUKKVHHAGC-APPZFPTMSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@@H]1CC[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000336705131 176237706 /nfs/dbraw/zinc/23/77/06/176237706.db2.gz RAOQMUKKVHHAGC-VXNVDRBHSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000294052455 176262282 /nfs/dbraw/zinc/26/22/82/176262282.db2.gz KOVRZDVHLOCOOC-RKDXNWHRSA-N 0 0 234.255 2.075 20 5 BEBDRN C[C@@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000136089001 176397309 /nfs/dbraw/zinc/39/73/09/176397309.db2.gz ZGCGDTIRLKAZGR-HTQZYQBOSA-N 0 0 207.233 2.058 20 5 BEBDRN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)O ZINC000087138660 177005729 /nfs/dbraw/zinc/00/57/29/177005729.db2.gz BUDKBEDGXPOXPT-NKWVEPMBSA-N 0 0 245.662 2.396 20 5 BEBDRN C[C@H]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000266175988 177147578 /nfs/dbraw/zinc/14/75/78/177147578.db2.gz XKIRIVSWNMVULB-JTQLQIEISA-N 0 0 248.282 2.006 20 5 BEBDRN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000177067274 177153876 /nfs/dbraw/zinc/15/38/76/177153876.db2.gz YWZCKNGVUNLNTD-UWVGGRQHSA-N 0 0 248.282 2.465 20 5 BEBDRN C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@H]1C ZINC000178165336 177153916 /nfs/dbraw/zinc/15/39/16/177153916.db2.gz IJFCRNMXETZHTN-YUMQZZPRSA-N 0 0 238.243 2.058 20 5 BEBDRN C[C@@H]1[C@@H](C)CCN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000177115640 177154330 /nfs/dbraw/zinc/15/43/30/177154330.db2.gz HGHWUMJBWCBBBW-VHSXEESVSA-N 0 0 248.282 2.465 20 5 BEBDRN C[C@H]1CCOCCN1c1ccccc1[N+](=O)[O-] ZINC000301987115 177177118 /nfs/dbraw/zinc/17/71/18/177177118.db2.gz KMAUNPIGZGGZGC-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN C[C@H]1C[C@@H]1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000352472347 177342145 /nfs/dbraw/zinc/34/21/45/177342145.db2.gz CBMRLKXYZJAYGB-GXSJLCMTSA-N 0 0 248.282 2.257 20 5 BEBDRN C[C@H]1C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000298428296 177344881 /nfs/dbraw/zinc/34/48/81/177344881.db2.gz UPUHRWCRLWUALL-NKWVEPMBSA-N 0 0 240.284 2.042 20 5 BEBDRN C[C@H]1C[C@H]1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000282238401 177382092 /nfs/dbraw/zinc/38/20/92/177382092.db2.gz PVZYQPWSWFULLA-YUMQZZPRSA-N 0 0 221.260 2.245 20 5 BEBDRN C[C@H]1C[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000136088118 177382625 /nfs/dbraw/zinc/38/26/25/177382625.db2.gz FNJIPIQYMWJCPA-YUMQZZPRSA-N 0 0 207.233 2.058 20 5 BEBDRN Cc1nc(NCCC2(C)CC2)ccc1[N+](=O)[O-] ZINC000359811549 177503658 /nfs/dbraw/zinc/50/36/58/177503658.db2.gz FVQCJHFMRCQNEB-UHFFFAOYSA-N 0 0 235.287 2.322 20 5 BEBDRN Cc1c(NC(=O)[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000068968253 177617999 /nfs/dbraw/zinc/61/79/99/177617999.db2.gz QTKUFAQEGIAFBK-VXNVDRBHSA-N 0 0 234.255 2.498 20 5 BEBDRN CN(C(=O)c1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000335742129 487832031 /nfs/dbraw/zinc/83/20/31/487832031.db2.gz PKDOZUDJJOJENQ-NSHDSACASA-N 0 0 248.282 2.465 20 5 BEBDRN CCO[C@@H]1C[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000562534629 323023155 /nfs/dbraw/zinc/02/31/55/323023155.db2.gz YYLBVVMNEWPIPW-GXSJLCMTSA-N 0 0 240.234 2.323 20 5 BEBDRN CCO[C@H]1C[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000562534632 323023225 /nfs/dbraw/zinc/02/32/25/323023225.db2.gz YYLBVVMNEWPIPW-ONGXEEELSA-N 0 0 240.234 2.323 20 5 BEBDRN CC/C=C\CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000569926919 323044741 /nfs/dbraw/zinc/04/47/41/323044741.db2.gz IGMBVMRPYGAWGX-ARJAWSKDSA-N 0 0 240.234 2.252 20 5 BEBDRN CCCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)C ZINC000571102997 323136072 /nfs/dbraw/zinc/13/60/72/323136072.db2.gz DRCGWRBJBYEPGS-UHFFFAOYSA-N 0 0 239.275 2.184 20 5 BEBDRN O=C(NCc1cccc([N+](=O)[O-])c1)c1ccoc1 ZINC000049374797 323159272 /nfs/dbraw/zinc/15/92/72/323159272.db2.gz WUXDJRKPBLPBRM-UHFFFAOYSA-N 0 0 246.222 2.118 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1[C@H](C)C[C@H]1C ZINC000530431643 324595463 /nfs/dbraw/zinc/59/54/63/324595463.db2.gz OQTZJEIVMANDAT-RKDXNWHRSA-N 0 0 221.260 2.285 20 5 BEBDRN Cc1noc(COc2ccc([N+](=O)[O-])cc2C)n1 ZINC000131447314 325152672 /nfs/dbraw/zinc/15/26/72/325152672.db2.gz IWPCPRACDHKQKX-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN C[C@@H](N(C)c1ncc([N+](=O)[O-])cn1)C(C)(C)C ZINC000546899404 325317360 /nfs/dbraw/zinc/31/73/60/325317360.db2.gz QLKBDTDLMDDGHN-MRVPVSSYSA-N 0 0 238.291 2.256 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C(C)C ZINC000153738821 326110961 /nfs/dbraw/zinc/11/09/61/326110961.db2.gz CZYGINIEFZUEAH-UHFFFAOYSA-N 0 0 236.271 2.384 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(NCC(F)F)n1 ZINC000309927242 326175692 /nfs/dbraw/zinc/17/56/92/326175692.db2.gz VXFDPQABTPHHCT-UHFFFAOYSA-N 0 0 231.202 2.284 20 5 BEBDRN O=C(N[C@@H]1C=CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000157931462 326300843 /nfs/dbraw/zinc/30/08/43/326300843.db2.gz OQBSJPNVTVMZEP-LLVKDONJSA-N 0 0 246.266 2.433 20 5 BEBDRN COc1ccc(C)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000603497919 487481195 /nfs/dbraw/zinc/48/11/95/487481195.db2.gz MPTVIHPVJWFMJH-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN C[C@@H](O)C(C)(C)Nc1ccc([N+](=O)[O-])cc1 ZINC000158817421 488177341 /nfs/dbraw/zinc/17/73/41/488177341.db2.gz ZAZXUKPWVGGARO-MRVPVSSYSA-N 0 0 224.260 2.166 20 5 BEBDRN C[C@]1(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1F ZINC000335493407 490305013 /nfs/dbraw/zinc/30/50/13/490305013.db2.gz CGJCSZLWICKIEE-ONGXEEELSA-N 0 0 238.218 2.281 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2[C@@H]3CCC[C@@H]32)cn1 ZINC000450480181 490381914 /nfs/dbraw/zinc/38/19/14/490381914.db2.gz ALAMNVSMZPXVJR-DOFRTFSJSA-N 0 0 219.244 2.200 20 5 BEBDRN CC[C@H](CC(=O)OC[C@H](C)[N+](=O)[O-])C(C)C ZINC000813108271 582586342 /nfs/dbraw/zinc/58/63/42/582586342.db2.gz XBWWUVJWXWEGPW-VHSXEESVSA-N 0 0 231.292 2.267 20 5 BEBDRN CC(=O)CCCn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000195047465 526424348 /nfs/dbraw/zinc/42/43/48/526424348.db2.gz HKZCEPQHZJRFDQ-UHFFFAOYSA-N 0 0 237.259 2.038 20 5 BEBDRN CCCCn1cnc2cc([N+](=O)[O-])ccc2c1=O ZINC000248260421 535153332 /nfs/dbraw/zinc/15/33/32/535153332.db2.gz VYOHWAMUXVXJQO-UHFFFAOYSA-N 0 0 247.254 2.105 20 5 BEBDRN CCON(C)c1cc(C)sc1[N+](=O)[O-] ZINC000853511124 588747054 /nfs/dbraw/zinc/74/70/54/588747054.db2.gz YMPYCDMKWQJQGX-UHFFFAOYSA-N 0 0 216.262 2.352 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1N1CC2(CC2)C1 ZINC000853651319 588752390 /nfs/dbraw/zinc/75/23/90/588752390.db2.gz WOZHKZLARAZNIT-UHFFFAOYSA-N 0 0 239.662 2.243 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3C[C@H]3C2)n1 ZINC000853902032 588768055 /nfs/dbraw/zinc/76/80/55/588768055.db2.gz NIHHQTCHJNFYHS-UWVGGRQHSA-N 0 0 233.271 2.144 20 5 BEBDRN Cc1ccc(N2CCC3(COC3)C2)c([N+](=O)[O-])c1 ZINC000853950318 588770151 /nfs/dbraw/zinc/77/01/51/588770151.db2.gz MXNHVBNWNQRXNQ-UHFFFAOYSA-N 0 0 248.282 2.130 20 5 BEBDRN CC[C@@H](C)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000855390471 588830922 /nfs/dbraw/zinc/83/09/22/588830922.db2.gz RIHYACLJASQGHZ-SNVBAGLBSA-N 0 0 244.335 2.374 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1N1CC[C@@H]2C[C@@H]21 ZINC000804688656 582526280 /nfs/dbraw/zinc/52/62/80/582526280.db2.gz PRZBWKXJWMOPFW-XCBNKYQSSA-N 0 0 222.219 2.333 20 5 BEBDRN O=C(N[C@H]1C=CCC1)c1csc([N+](=O)[O-])c1 ZINC000855423663 588833078 /nfs/dbraw/zinc/83/30/78/588833078.db2.gz GEABDQBGJXFERO-QMMMGPOBSA-N 0 0 238.268 2.105 20 5 BEBDRN CCC1(C(=O)OC[C@@H](C)[N+](=O)[O-])CCCC1 ZINC000813107442 582585262 /nfs/dbraw/zinc/58/52/62/582585262.db2.gz NLBYYGVMRUBMLY-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN CC[C@@H]1CCCC[C@@H]1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813110731 582588384 /nfs/dbraw/zinc/58/83/84/582588384.db2.gz IHKVBMLUOWTVCJ-AXFHLTTASA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@@H](COC(=O)[C@@H](C)C1CCCC1)[N+](=O)[O-] ZINC000813112466 582589310 /nfs/dbraw/zinc/58/93/10/582589310.db2.gz QHEBXTBRYYHPRW-IUCAKERBSA-N 0 0 229.276 2.021 20 5 BEBDRN CN(c1c([N+](=O)[O-])cnn1C)C1CCCCC1 ZINC000891394997 582677312 /nfs/dbraw/zinc/67/73/12/582677312.db2.gz LSZICKQUCYPXPC-UHFFFAOYSA-N 0 0 238.291 2.097 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NC1CCCC1 ZINC000891427936 582682653 /nfs/dbraw/zinc/68/26/53/582682653.db2.gz YBWVVUNOTDGDDC-UHFFFAOYSA-N 0 0 237.259 2.353 20 5 BEBDRN C[C@@H]1CCC[C@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000891761484 582717420 /nfs/dbraw/zinc/71/74/20/582717420.db2.gz CRGVZUGKSIGZKU-BDAKNGLRSA-N 0 0 238.291 2.319 20 5 BEBDRN CC[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000855856926 588851475 /nfs/dbraw/zinc/85/14/75/588851475.db2.gz CNHYFGFJVYPYFW-SNVBAGLBSA-N 0 0 242.319 2.127 20 5 BEBDRN CCC(CC)CNc1c([N+](=O)[O-])cnn1C ZINC000892340795 582861305 /nfs/dbraw/zinc/86/13/05/582861305.db2.gz XUSMVXJMAQYQNV-UHFFFAOYSA-N 0 0 226.280 2.176 20 5 BEBDRN COC(OC)[C@@H](C)Nc1sccc1[N+](=O)[O-] ZINC000853681566 583061541 /nfs/dbraw/zinc/06/15/41/583061541.db2.gz SHDBVFGQGOBMRM-ZCFIWIBFSA-N 0 0 246.288 2.076 20 5 BEBDRN CCC(C)(C)CC(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814036358 583334511 /nfs/dbraw/zinc/33/45/11/583334511.db2.gz WGPZNNKPRJMXCN-QMMMGPOBSA-N 0 0 217.265 2.021 20 5 BEBDRN CCC(C)(C)CCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840671267 583407141 /nfs/dbraw/zinc/40/71/41/583407141.db2.gz SQZSTYZYYXECJZ-RKDXNWHRSA-N 0 0 229.276 2.021 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NC[C@H]1C=CCC1 ZINC000895130098 583601174 /nfs/dbraw/zinc/60/11/74/583601174.db2.gz JOUNDEYKGDCHDM-VIFPVBQESA-N 0 0 249.270 2.377 20 5 BEBDRN O=[N+]([O-])c1ccccc1CN1CC[C@H]1C(F)F ZINC000895434343 583672348 /nfs/dbraw/zinc/67/23/48/583672348.db2.gz AIULBWNUEDNBHI-JTQLQIEISA-N 0 0 242.225 2.434 20 5 BEBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000895755100 583720468 /nfs/dbraw/zinc/72/04/68/583720468.db2.gz SRDWBGPGHVWTGA-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN C[C@@H]1CCN(c2ccsc2[N+](=O)[O-])CCO1 ZINC000895758975 583721330 /nfs/dbraw/zinc/72/13/30/583721330.db2.gz RGPFPNSFXUDFGW-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN C[C@@H]1COC[C@@H]1Nc1ccc([N+](=O)[O-])s1 ZINC000895906034 583744458 /nfs/dbraw/zinc/74/44/58/583744458.db2.gz URVDDFLPLIXSLE-RQJHMYQMSA-N 0 0 228.273 2.103 20 5 BEBDRN O=c1[nH]ccc(NCCC2CC=CC2)c1[N+](=O)[O-] ZINC000896093639 583771727 /nfs/dbraw/zinc/77/17/27/583771727.db2.gz DIBDPPMIHGSLAM-UHFFFAOYSA-N 0 0 249.270 2.464 20 5 BEBDRN C[C@@H]1C(=O)CCCN1c1ccc([N+](=O)[O-])cc1 ZINC000896337220 583792721 /nfs/dbraw/zinc/79/27/21/583792721.db2.gz QWLWXUZWWWQMHK-SECBINFHSA-N 0 0 234.255 2.153 20 5 BEBDRN C[C@H]1CCC(=O)CN1c1ccccc1[N+](=O)[O-] ZINC000896345533 583795155 /nfs/dbraw/zinc/79/51/55/583795155.db2.gz SEURCRDCLVNSEV-VIFPVBQESA-N 0 0 234.255 2.153 20 5 BEBDRN Cc1cc(SC2COC2)c([N+](=O)[O-])s1 ZINC000896962158 583864923 /nfs/dbraw/zinc/86/49/23/583864923.db2.gz JCRKZIAFVWEYDE-UHFFFAOYSA-N 0 0 231.298 2.456 20 5 BEBDRN O=C(Cc1ccccc1[N+](=O)[O-])OCC1CC1 ZINC000728764998 583906923 /nfs/dbraw/zinc/90/69/23/583906923.db2.gz XJKOIXOSZWRMQO-UHFFFAOYSA-N 0 0 235.239 2.091 20 5 BEBDRN C[C@@H]1CC=CC[C@H]1Nc1c([N+](=O)[O-])ncn1C ZINC000897393494 583948881 /nfs/dbraw/zinc/94/88/81/583948881.db2.gz MYLFXVZOROKEPO-RKDXNWHRSA-N 0 0 236.275 2.095 20 5 BEBDRN C[C@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000729084856 583954221 /nfs/dbraw/zinc/95/42/21/583954221.db2.gz LYPLIGZMDUUJIJ-VIFPVBQESA-N 0 0 249.266 2.479 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(C)C2)c1C ZINC000897578563 584020064 /nfs/dbraw/zinc/02/00/64/584020064.db2.gz YJZIHBZOTWLVPW-UHFFFAOYSA-N 0 0 248.282 2.304 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]2C)c1C ZINC000899200262 584180837 /nfs/dbraw/zinc/18/08/37/584180837.db2.gz MRHJFJNGBWHHKI-SECBINFHSA-N 0 0 248.282 2.446 20 5 BEBDRN O=[N+]([O-])CCOc1ccccc1Br ZINC000899230445 584183029 /nfs/dbraw/zinc/18/30/29/584183029.db2.gz HIRFGMAJRUCBEK-UHFFFAOYSA-N 0 0 246.060 2.105 20 5 BEBDRN CSc1ccccc1OCC[N+](=O)[O-] ZINC000899231457 584183076 /nfs/dbraw/zinc/18/30/76/584183076.db2.gz DNLQQHMPXPOZIC-UHFFFAOYSA-N 0 0 213.258 2.064 20 5 BEBDRN Cc1ccc(OCC[N+](=O)[O-])c(Cl)c1 ZINC000899231240 584183180 /nfs/dbraw/zinc/18/31/80/584183180.db2.gz PATVPYIZOIBHPK-UHFFFAOYSA-N 0 0 215.636 2.304 20 5 BEBDRN Cc1cccc(OCC[N+](=O)[O-])c1Cl ZINC000899232751 584183563 /nfs/dbraw/zinc/18/35/63/584183563.db2.gz UGUZSVPOKGKKTH-UHFFFAOYSA-N 0 0 215.636 2.304 20 5 BEBDRN COc1cc(Cl)ccc1OCC[N+](=O)[O-] ZINC000899232777 584183564 /nfs/dbraw/zinc/18/35/64/584183564.db2.gz UWGYWSKULCANEY-UHFFFAOYSA-N 0 0 231.635 2.004 20 5 BEBDRN COC/C(C)=C\Cn1nc(C)c([N+](=O)[O-])c1C ZINC000901349070 584430707 /nfs/dbraw/zinc/43/07/07/584430707.db2.gz USJGONFLBDQJMM-YVMONPNESA-N 0 0 239.275 2.001 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1CSC1COC1 ZINC000901633000 584472170 /nfs/dbraw/zinc/47/21/70/584472170.db2.gz VKGYPUWGRKGLRZ-UHFFFAOYSA-N 0 0 243.259 2.366 20 5 BEBDRN O=[N+]([O-])c1cccc(NC[C@H]2C[C@]23CCOC3)c1 ZINC000901921383 584504600 /nfs/dbraw/zinc/50/46/00/584504600.db2.gz IIJAPFMTYBYCSQ-MFKMUULPSA-N 0 0 248.282 2.433 20 5 BEBDRN Cc1nonc1CNc1cc([N+](=O)[O-])ccc1C ZINC000901922445 584504803 /nfs/dbraw/zinc/50/48/03/584504803.db2.gz NSTQJMCWWCGNJR-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@@H]2C[C@@]23CCOC3)cc1 ZINC000902117896 584528136 /nfs/dbraw/zinc/52/81/36/584528136.db2.gz XMNNSXDXAFAWRU-GXFFZTMASA-N 0 0 249.266 2.400 20 5 BEBDRN O=[N+]([O-])c1cccc(OC[C@H]2C[C@]23CCOC3)c1 ZINC000902120350 584528650 /nfs/dbraw/zinc/52/86/50/584528650.db2.gz RZNZURNICUUQEW-MFKMUULPSA-N 0 0 249.266 2.400 20 5 BEBDRN COc1cccc(Cn2cc([N+](=O)[O-])cn2)c1C ZINC000902325250 584560398 /nfs/dbraw/zinc/56/03/98/584560398.db2.gz RERWTADPULOMEM-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN Cn1cc(CSCCCCF)c([N+](=O)[O-])n1 ZINC000902388057 584579605 /nfs/dbraw/zinc/57/96/05/584579605.db2.gz LVTJOUWFPRADCF-UHFFFAOYSA-N 0 0 247.295 2.311 20 5 BEBDRN C[C@@H]1CC(OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H](C)C1 ZINC000842311584 584891934 /nfs/dbraw/zinc/89/19/34/584891934.db2.gz AFRQYOFFFNTQOW-OINDSLJFSA-N 0 0 241.287 2.020 20 5 BEBDRN O=C(Cc1ccccc1[N+](=O)[O-])OCCCF ZINC000741448930 584925100 /nfs/dbraw/zinc/92/51/00/584925100.db2.gz QKHVGPMHIJMLTC-UHFFFAOYSA-N 0 0 241.218 2.040 20 5 BEBDRN CC(C)CCCCC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000838972284 585083061 /nfs/dbraw/zinc/08/30/61/585083061.db2.gz RQZQTVFJDIPXMT-SNVBAGLBSA-N 0 0 231.292 2.411 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)OCC1CC1 ZINC000103332422 585095134 /nfs/dbraw/zinc/09/51/34/585095134.db2.gz RIGVNBVHEPMRRY-UHFFFAOYSA-N 0 0 235.239 2.470 20 5 BEBDRN CON(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000788827861 585101620 /nfs/dbraw/zinc/10/16/20/585101620.db2.gz AAWKZZWQESMNIZ-UHFFFAOYSA-N 0 0 233.227 2.141 20 5 BEBDRN CCCc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839475768 585105048 /nfs/dbraw/zinc/10/50/48/585105048.db2.gz HRZQJPGRWKTWAF-VXGBXAGGSA-N 0 0 248.282 2.243 20 5 BEBDRN O=c1ccnc(C=Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000742220459 585123335 /nfs/dbraw/zinc/12/33/35/585123335.db2.gz NLBXKQKWHCXCGM-AATRIKPKSA-N 0 0 243.222 2.261 20 5 BEBDRN O=C(/C=C\C1CC1)Oc1cccc([N+](=O)[O-])c1 ZINC000742499189 585127174 /nfs/dbraw/zinc/12/71/74/585127174.db2.gz UMHHDKNYRPMQEZ-SREVYHEPSA-N 0 0 233.223 2.466 20 5 BEBDRN O=C(Cc1ccccc1[N+](=O)[O-])OCC1CCC1 ZINC000744199027 585146135 /nfs/dbraw/zinc/14/61/35/585146135.db2.gz TWADLJDMDSEZDG-UHFFFAOYSA-N 0 0 249.266 2.481 20 5 BEBDRN CCC[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000748110164 585187171 /nfs/dbraw/zinc/18/71/71/585187171.db2.gz XAFBLNUABDWBSP-MRVPVSSYSA-N 0 0 240.259 2.279 20 5 BEBDRN CO[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000751967207 585240034 /nfs/dbraw/zinc/24/00/34/585240034.db2.gz GXRWHKQENWHWBR-LLVKDONJSA-N 0 0 236.271 2.128 20 5 BEBDRN CO[C@@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000756119198 585314921 /nfs/dbraw/zinc/31/49/21/585314921.db2.gz OSXVFYFOZYSRKC-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN CC[C@@H](C)COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000756358054 585318322 /nfs/dbraw/zinc/31/83/22/585318322.db2.gz HICSYSLSUXGDSL-MRVPVSSYSA-N 0 0 240.259 2.136 20 5 BEBDRN CCCC[C@@H](CCC)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839698587 585335473 /nfs/dbraw/zinc/33/54/73/585335473.db2.gz QQTNLLKRXUNVBV-GMTAPVOTSA-N 0 0 242.319 2.127 20 5 BEBDRN O=[N+]([O-])c1ccc(OC/C=C\Cl)cc1CO ZINC000757985742 585348179 /nfs/dbraw/zinc/34/81/79/585348179.db2.gz LBNSJGQUYHERLD-RJRFIUFISA-N 0 0 243.646 2.218 20 5 BEBDRN CC(C)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cn1C ZINC000763543164 585450113 /nfs/dbraw/zinc/45/01/13/585450113.db2.gz ORNRRQGZEWNQFE-QMMMGPOBSA-N 0 0 240.259 2.135 20 5 BEBDRN COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H]2C)c1 ZINC000771138603 585591222 /nfs/dbraw/zinc/59/12/22/585591222.db2.gz XUENXOMOQPRZRV-ZETCQYMHSA-N 0 0 240.234 2.341 20 5 BEBDRN COC(=O)N1CCc2cc(C)c([N+](=O)[O-])cc21 ZINC000773987110 585647682 /nfs/dbraw/zinc/64/76/82/585647682.db2.gz FATYTFZBXHONBM-UHFFFAOYSA-N 0 0 236.227 2.032 20 5 BEBDRN COC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000775600356 585681557 /nfs/dbraw/zinc/68/15/57/585681557.db2.gz KZZWZQHRLFOLEX-SSDOTTSWSA-N 0 0 224.216 2.012 20 5 BEBDRN O=[N+]([O-])c1c(N2CC=CCC2)nc2ccccn21 ZINC000778591731 585737785 /nfs/dbraw/zinc/73/77/85/585737785.db2.gz NQYZVQGVNJDTPQ-UHFFFAOYSA-N 0 0 244.254 2.009 20 5 BEBDRN CC(C)[C@H](F)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000784006729 585846381 /nfs/dbraw/zinc/84/63/81/585846381.db2.gz ADCPBAAZENPYOM-JTQLQIEISA-N 0 0 241.218 2.494 20 5 BEBDRN Cc1cc(COc2ccc(N)c([N+](=O)[O-])c2)on1 ZINC000786866323 585898154 /nfs/dbraw/zinc/89/81/54/585898154.db2.gz WGNVMVCXXWGBCG-UHFFFAOYSA-N 0 0 249.226 2.052 20 5 BEBDRN CC1(C)CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000788578683 585927359 /nfs/dbraw/zinc/92/73/59/585927359.db2.gz VUFCXXFIPGVAED-UHFFFAOYSA-N 0 0 206.245 2.441 20 5 BEBDRN O=C(OCCCCCF)c1ccc([N+](=O)[O-])o1 ZINC000791495282 585982235 /nfs/dbraw/zinc/98/22/35/585982235.db2.gz VBCOXWKWTUCMSD-UHFFFAOYSA-N 0 0 245.206 2.484 20 5 BEBDRN Cc1ccc(N2CC(C)(F)C2)c([N+](=O)[O-])c1 ZINC000795196224 586071314 /nfs/dbraw/zinc/07/13/14/586071314.db2.gz SCCAJHXBRLVVME-UHFFFAOYSA-N 0 0 224.235 2.451 20 5 BEBDRN O=C(OCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000798179025 586138523 /nfs/dbraw/zinc/13/85/23/586138523.db2.gz FGDITTUYJFUTGQ-UHFFFAOYSA-N 0 0 221.212 2.048 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(NCCc2ccco2)c1 ZINC000800846895 586233937 /nfs/dbraw/zinc/23/39/37/586233937.db2.gz ZDZUFLZVOIJSIC-UHFFFAOYSA-N 0 0 247.254 2.425 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2CCC[C@H](F)C2)c1 ZINC000811841676 586567574 /nfs/dbraw/zinc/56/75/74/586567574.db2.gz PBDDQHVXIRUTOV-QMMMGPOBSA-N 0 0 239.250 2.115 20 5 BEBDRN C[C@H](COC(=O)C[C@@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000813101537 586591862 /nfs/dbraw/zinc/59/18/62/586591862.db2.gz CZRQFZXJQLXRQA-GMTAPVOTSA-N 0 0 243.303 2.411 20 5 BEBDRN CCC(C)(C)CC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813109247 586593300 /nfs/dbraw/zinc/59/33/00/586593300.db2.gz QFHRJBOCLJTDMI-MRVPVSSYSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@@H](COC(=O)[C@@H]1CCCCC1(C)C)[N+](=O)[O-] ZINC000813110690 586593448 /nfs/dbraw/zinc/59/34/48/586593448.db2.gz HOELKJFRLXYYQY-UWVGGRQHSA-N 0 0 243.303 2.411 20 5 BEBDRN CCC(C)(CC)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813114715 586593955 /nfs/dbraw/zinc/59/39/55/586593955.db2.gz GEOOHUMZXWAXQW-QMMMGPOBSA-N 0 0 217.265 2.021 20 5 BEBDRN CC[C@@H](C)CONc1cccnc1[N+](=O)[O-] ZINC000813623293 586604653 /nfs/dbraw/zinc/60/46/53/586604653.db2.gz XEBWTHDYKKPJIA-MRVPVSSYSA-N 0 0 225.248 2.379 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)CC1CCCCC1 ZINC000814037541 586612166 /nfs/dbraw/zinc/61/21/66/586612166.db2.gz BRDVDCPGEUHESX-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN CCC[C@H](C(=O)O[C@@H](C)C[N+](=O)[O-])C(C)C ZINC000814037800 586612197 /nfs/dbraw/zinc/61/21/97/586612197.db2.gz GSBNMALKYZKGTC-UWVGGRQHSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)c1cc(Cl)cs1 ZINC000814039012 586612375 /nfs/dbraw/zinc/61/23/75/586612375.db2.gz KUUHBAZEASUGOQ-RXMQYKEDSA-N 0 0 249.675 2.224 20 5 BEBDRN C/C(=C\C(=O)O[C@H](C)C[N+](=O)[O-])c1ccccc1 ZINC000814041196 586612549 /nfs/dbraw/zinc/61/25/49/586612549.db2.gz QEKVQTPONLOROX-RJCSOLBVSA-N 0 0 249.266 2.298 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1ccc(Cl)s1 ZINC000814041980 586612601 /nfs/dbraw/zinc/61/26/01/586612601.db2.gz WTYBCCKEQHLCJX-YFKPBYRVSA-N 0 0 249.675 2.224 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C1(C)CCCCC1 ZINC000814042819 586612681 /nfs/dbraw/zinc/61/26/81/586612681.db2.gz OJROKYFGWQCECZ-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN CCCCS[C@@H](C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814047980 586613114 /nfs/dbraw/zinc/61/31/14/586613114.db2.gz QCULLOYEMWHDPV-BDAKNGLRSA-N 0 0 249.332 2.117 20 5 BEBDRN C/C(=C/C(C)(C)C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814048637 586613200 /nfs/dbraw/zinc/61/32/00/586613200.db2.gz LXVGQWIORNXKTE-JGAIRUGNSA-N 0 0 229.276 2.187 20 5 BEBDRN CCCCS[C@@H](C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814047984 586613283 /nfs/dbraw/zinc/61/32/83/586613283.db2.gz QCULLOYEMWHDPV-IUCAKERBSA-N 0 0 249.332 2.117 20 5 BEBDRN CSCOc1ccc([N+](=O)[O-])cc1C=O ZINC000814727092 586630548 /nfs/dbraw/zinc/63/05/48/586630548.db2.gz HVPZOTPODLFLPI-UHFFFAOYSA-N 0 0 227.241 2.107 20 5 BEBDRN CCSCOc1ccc(C=O)cc1[N+](=O)[O-] ZINC000814725952 586630822 /nfs/dbraw/zinc/63/08/22/586630822.db2.gz TTXXZOKGIHCAFI-UHFFFAOYSA-N 0 0 241.268 2.497 20 5 BEBDRN CCSCOc1cc(C=O)ccc1[N+](=O)[O-] ZINC000814745023 586631587 /nfs/dbraw/zinc/63/15/87/586631587.db2.gz FJIVQHKSAOBXIG-UHFFFAOYSA-N 0 0 241.268 2.497 20 5 BEBDRN C[C@H](COC(=O)[C@H]1CC2CCC1CC2)[N+](=O)[O-] ZINC000816090879 586707300 /nfs/dbraw/zinc/70/73/00/586707300.db2.gz BBGIVHFCHGNODZ-SFXRXQKFSA-N 0 0 241.287 2.021 20 5 BEBDRN Nc1ccc(NC(=O)c2ccoc2)cc1[N+](=O)[O-] ZINC000819921142 587002157 /nfs/dbraw/zinc/00/21/57/587002157.db2.gz UVFZGMWOJRACBR-UHFFFAOYSA-N 0 0 247.210 2.022 20 5 BEBDRN CC(C)(C)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822487446 587171375 /nfs/dbraw/zinc/17/13/75/587171375.db2.gz UEZXFDGXUAAWGR-UHFFFAOYSA-N 0 0 244.335 2.374 20 5 BEBDRN CCC[C@H](C)N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822500451 587172488 /nfs/dbraw/zinc/17/24/88/587172488.db2.gz SLLXTIXISKNQMR-JTQLQIEISA-N 0 0 244.335 2.469 20 5 BEBDRN CC[C@@H](C)[C@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822752570 587182507 /nfs/dbraw/zinc/18/25/07/587182507.db2.gz LXNZJZNNGSRSLL-ZJUUUORDSA-N 0 0 244.335 2.373 20 5 BEBDRN C/C=C\C(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000825655511 587328980 /nfs/dbraw/zinc/32/89/80/587328980.db2.gz QFFQGZJVIMNDJT-ARJAWSKDSA-N 0 0 234.255 2.096 20 5 BEBDRN CCC(C)(C)N(C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826072140 587350299 /nfs/dbraw/zinc/35/02/99/587350299.db2.gz LBXSPTQVPDYTKF-UHFFFAOYSA-N 0 0 244.335 2.469 20 5 BEBDRN C[C@H]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1C ZINC000826643278 587357571 /nfs/dbraw/zinc/35/75/71/587357571.db2.gz KQIGIXPRNNHGGP-UWVGGRQHSA-N 0 0 242.319 2.079 20 5 BEBDRN C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1CCC1 ZINC000827353717 587378255 /nfs/dbraw/zinc/37/82/55/587378255.db2.gz HZWVCNCWKLEGPP-SECBINFHSA-N 0 0 242.319 2.127 20 5 BEBDRN CON(CC(C)(C)C)c1ccc([N+](=O)[O-])nc1 ZINC000828178164 587423360 /nfs/dbraw/zinc/42/33/60/587423360.db2.gz CKDOOEKUTHSCGG-UHFFFAOYSA-N 0 0 239.275 2.404 20 5 BEBDRN CC(C)(O)COc1ccc([N+](=O)[O-])c(F)c1F ZINC000829882689 587527299 /nfs/dbraw/zinc/52/72/99/587527299.db2.gz CLNGUIZMNWCGIL-UHFFFAOYSA-N 0 0 247.197 2.023 20 5 BEBDRN CCON(CC)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000831499901 587615018 /nfs/dbraw/zinc/61/50/18/587615018.db2.gz VVUWJKSFKMHTEU-UHFFFAOYSA-N 0 0 238.243 2.008 20 5 BEBDRN CC(C)(CCc1nc(CC2CC2)no1)[N+](=O)[O-] ZINC000834448129 587755338 /nfs/dbraw/zinc/75/53/38/587755338.db2.gz WTLISOKKUMTSMU-UHFFFAOYSA-N 0 0 239.275 2.010 20 5 BEBDRN C[C@@H]1C[C@H]1COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835109970 587784029 /nfs/dbraw/zinc/78/40/29/587784029.db2.gz UAUBGQIVHIGRAG-BDAKNGLRSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C(F)F ZINC000835337161 587797267 /nfs/dbraw/zinc/79/72/67/587797267.db2.gz OXTXDYZPTOSJIN-LURJTMIESA-N 0 0 239.218 2.019 20 5 BEBDRN CC[C@@H]1CCC[C@@H]1C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000835453834 587802910 /nfs/dbraw/zinc/80/29/10/587802910.db2.gz HEWDZBUMJFEREX-BBBLOLIVSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C1(C2CCC2)CCC1 ZINC000835465165 587803787 /nfs/dbraw/zinc/80/37/87/587803787.db2.gz AFYUNHOPRDVFOO-VIFPVBQESA-N 0 0 241.287 2.165 20 5 BEBDRN Cc1ccc(COC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000835485077 587804700 /nfs/dbraw/zinc/80/47/00/587804700.db2.gz QIYWIYJSRQIVKI-UHFFFAOYSA-N 0 0 235.239 2.356 20 5 BEBDRN CC[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC000840670158 587915837 /nfs/dbraw/zinc/91/58/37/587915837.db2.gz CBMKNCJHOJJQKU-UTUOFQBUSA-N 0 0 249.266 2.346 20 5 BEBDRN C[C@@H]1CC[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](C)C1 ZINC000841121233 587947092 /nfs/dbraw/zinc/94/70/92/587947092.db2.gz RGAGPZFDJTYYRH-ISUQUUIWSA-N 0 0 241.287 2.020 20 5 BEBDRN Cc1ccc([C@H](C)OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000841151774 587948041 /nfs/dbraw/zinc/94/80/41/587948041.db2.gz AOBFJSRIOMLRKY-MVWJERBFSA-N 0 0 249.266 2.264 20 5 BEBDRN CC[C@@H]1CCC[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842308082 588015911 /nfs/dbraw/zinc/01/59/11/588015911.db2.gz SWUSNDZLGXESIN-GWOFURMSSA-N 0 0 241.287 2.164 20 5 BEBDRN O=C(O[C@@H]1C=CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842352801 588020920 /nfs/dbraw/zinc/02/09/20/588020920.db2.gz FYRDJKDNXRSDGF-GMTAPVOTSA-N 0 0 239.271 2.084 20 5 BEBDRN C[C@@H]1CC[C@H](C)[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000842373870 588022500 /nfs/dbraw/zinc/02/25/00/588022500.db2.gz HCBZRDKMZUJXCS-QGKZMRNZSA-N 0 0 241.287 2.020 20 5 BEBDRN C/C=C(/C)COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000842853666 588070551 /nfs/dbraw/zinc/07/05/51/588070551.db2.gz ZVACHKQZUYRTHM-YWEYNIOJSA-N 0 0 238.243 2.056 20 5 BEBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1(F)CC1 ZINC000843524177 588119451 /nfs/dbraw/zinc/11/94/51/588119451.db2.gz XPYWZCVFNSVLNH-UHFFFAOYSA-N 0 0 242.181 2.175 20 5 BEBDRN Cc1cc(C)c(OC(=O)C(F)F)c([N+](=O)[O-])c1 ZINC000844301912 588182175 /nfs/dbraw/zinc/18/21/75/588182175.db2.gz ZTMNLUPFXNLCDX-UHFFFAOYSA-N 0 0 245.181 2.382 20 5 BEBDRN C[C@H](COC(=O)[C@H]1C[C@@H]1C1CCCC1)[N+](=O)[O-] ZINC000845577042 588233931 /nfs/dbraw/zinc/23/39/31/588233931.db2.gz QZEHHZNCJXAMLY-IEBDPFPHSA-N 0 0 241.287 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC000845578144 588233943 /nfs/dbraw/zinc/23/39/43/588233943.db2.gz WDDXRYHCUHIQDB-IEBDPFPHSA-N 0 0 241.287 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC[C@@H](C)CC1 ZINC000845577655 588233962 /nfs/dbraw/zinc/23/39/62/588233962.db2.gz PMSUNJUHYXMRGL-OPRDCNLKSA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@H](CCC(C)C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000847739853 588328764 /nfs/dbraw/zinc/32/87/64/588328764.db2.gz JIBOLRWZYJXLSA-GMTAPVOTSA-N 0 0 243.303 2.410 20 5 BEBDRN C[C@@H]1C[C@@H]1C(N)=NOCc1cccc([N+](=O)[O-])c1 ZINC000848515296 588389148 /nfs/dbraw/zinc/38/91/48/588389148.db2.gz XAJXUXVJPZJQJY-KCJUWKMLSA-N 0 0 249.270 2.249 20 5 BEBDRN O=[N+]([O-])C1C[C@H]1c1nc([C@@H]2CCC[C@@H]3C[C@@H]32)no1 ZINC000848621765 588402303 /nfs/dbraw/zinc/40/23/03/588402303.db2.gz ZMKOUXFRWFWFKZ-HOTMZDKISA-N 0 0 249.270 2.106 20 5 BEBDRN CC(C)Cn1cc([N+](=O)[O-])nc1Br ZINC000849989528 588512760 /nfs/dbraw/zinc/51/27/60/588512760.db2.gz JEKCRBUTFKMSGC-UHFFFAOYSA-N 0 0 248.080 2.210 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C1CCC2(CC2)CC1 ZINC000851044992 588586580 /nfs/dbraw/zinc/58/65/80/588586580.db2.gz IMXTZBAOXQWSOH-VIFPVBQESA-N 0 0 241.287 2.165 20 5 BEBDRN Cc1cscc1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851126034 588592200 /nfs/dbraw/zinc/59/22/00/588592200.db2.gz KSIPBIALYBUROE-UHFFFAOYSA-N 0 0 243.284 2.269 20 5 BEBDRN CC(C)(COC(=O)[C@@H]1CCCC1(C)C)[N+](=O)[O-] ZINC000851128057 588592581 /nfs/dbraw/zinc/59/25/81/588592581.db2.gz GUBYGQNPDOJNFA-VIFPVBQESA-N 0 0 243.303 2.411 20 5 BEBDRN CSCCCCC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851125688 588592669 /nfs/dbraw/zinc/59/26/69/588592669.db2.gz GFVIGLGYZXDWAI-UHFFFAOYSA-N 0 0 249.332 2.118 20 5 BEBDRN CC1=C(C(=O)OCC(C)(C)[N+](=O)[O-])CCC1 ZINC000851126920 588592707 /nfs/dbraw/zinc/59/27/07/588592707.db2.gz QSFRVFVVFIRTHZ-UHFFFAOYSA-N 0 0 227.260 2.085 20 5 BEBDRN CC(C)(COC(=O)[C@H]1CCC1(C)C)[N+](=O)[O-] ZINC000851129582 588592884 /nfs/dbraw/zinc/59/28/84/588592884.db2.gz KARYLAJBBQJBKJ-MRVPVSSYSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](C(=O)OCC(C)(C)[N+](=O)[O-])C1CCC1 ZINC000851129557 588593087 /nfs/dbraw/zinc/59/30/87/588593087.db2.gz PICXAMSYDHHNAN-QMMMGPOBSA-N 0 0 229.276 2.021 20 5 BEBDRN CC(C)(COC(=O)[C@@H]1C[C@H]1C1CCC1)[N+](=O)[O-] ZINC000851130597 588593379 /nfs/dbraw/zinc/59/33/79/588593379.db2.gz XGCNLLYGGZSUPJ-VHSXEESVSA-N 0 0 241.287 2.021 20 5 BEBDRN CC(C)(CC(=O)OCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000851129786 588593478 /nfs/dbraw/zinc/59/34/78/588593478.db2.gz RZGNWYYSOGAFOG-UHFFFAOYSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1cccc(C(=O)OCCC[N+](=O)[O-])c1C ZINC000860912710 589131258 /nfs/dbraw/zinc/13/12/58/589131258.db2.gz AWEUGWCFEBACAW-UHFFFAOYSA-N 0 0 237.255 2.127 20 5 BEBDRN CC(C)C[C@H](C)CC(=O)OCCC[N+](=O)[O-] ZINC000860915122 589131618 /nfs/dbraw/zinc/13/16/18/589131618.db2.gz BPLHSHOUSWEAQE-JTQLQIEISA-N 0 0 231.292 2.269 20 5 BEBDRN C[C@H]1CCC[C@H](C(=O)OCCC[N+](=O)[O-])C1 ZINC000860915306 589131727 /nfs/dbraw/zinc/13/17/27/589131727.db2.gz QSUQEYSLQWVGRP-UWVGGRQHSA-N 0 0 229.276 2.023 20 5 BEBDRN CC1(CC(=O)OCCC[N+](=O)[O-])CCCC1 ZINC000860918216 589131888 /nfs/dbraw/zinc/13/18/88/589131888.db2.gz BEYVJIHXYJQFHY-UHFFFAOYSA-N 0 0 229.276 2.167 20 5 BEBDRN C[C@@H]1CC[C@H](C(=O)OCCC[N+](=O)[O-])C[C@@H]1C ZINC000860918261 589132022 /nfs/dbraw/zinc/13/20/22/589132022.db2.gz DNZLIWBLFPHYGL-VWYCJHECSA-N 0 0 243.303 2.269 20 5 BEBDRN CCC[C@H]1CCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860919448 589132275 /nfs/dbraw/zinc/13/22/75/589132275.db2.gz YTGGYQXLXUICFT-QWRGUYRKSA-N 0 0 243.303 2.413 20 5 BEBDRN C[C@@H](C(=O)OCCC[N+](=O)[O-])c1ccccc1 ZINC000860921766 589132540 /nfs/dbraw/zinc/13/25/40/589132540.db2.gz WPHDTCMMWPPYOY-SNVBAGLBSA-N 0 0 237.255 2.000 20 5 BEBDRN C[C@H]1CCC[C@@H]1CC(=O)OCCC[N+](=O)[O-] ZINC000860921096 589132604 /nfs/dbraw/zinc/13/26/04/589132604.db2.gz NCXXRBIGTLZMCK-VHSXEESVSA-N 0 0 229.276 2.023 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])c1ccsc1Cl ZINC000860922852 589132760 /nfs/dbraw/zinc/13/27/60/589132760.db2.gz ZRFKIGKTRDUJEB-UHFFFAOYSA-N 0 0 249.675 2.225 20 5 BEBDRN CC1(C)CCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860921836 589132767 /nfs/dbraw/zinc/13/27/67/589132767.db2.gz XUQPZRDLLWEGJE-SECBINFHSA-N 0 0 229.276 2.023 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])c1ccc(C2CC2)cc1 ZINC000860922820 589132856 /nfs/dbraw/zinc/13/28/56/589132856.db2.gz YTCOQTXDPPHOAS-UHFFFAOYSA-N 0 0 249.266 2.388 20 5 BEBDRN CCCOCOc1cc([N+](=O)[O-])ccc1OC ZINC000863224526 589273062 /nfs/dbraw/zinc/27/30/62/589273062.db2.gz ZLGUXWBPZDGPSI-UHFFFAOYSA-N 0 0 241.243 2.366 20 5 BEBDRN CC1(C)CCCC[C@@H]1Cn1ncc([N+](=O)[O-])n1 ZINC000863371410 589284645 /nfs/dbraw/zinc/28/46/45/589284645.db2.gz NSRFUAFJWSTPAZ-SECBINFHSA-N 0 0 238.291 2.403 20 5 BEBDRN C[C@H]1CCC[C@@H](Cn2ncc([N+](=O)[O-])n2)C1 ZINC000863374827 589284928 /nfs/dbraw/zinc/28/49/28/589284928.db2.gz YHNRMMNXQXVKNN-DTWKUNHWSA-N 0 0 224.264 2.013 20 5 BEBDRN Cc1cccc(CCCn2ncc([N+](=O)[O-])n2)c1 ZINC000863374680 589284932 /nfs/dbraw/zinc/28/49/32/589284932.db2.gz VQSFWRIAIQNKCN-UHFFFAOYSA-N 0 0 246.270 2.128 20 5 BEBDRN O=[N+]([O-])c1ccc(-c2ncnn2CC2CC2)cc1 ZINC000864541786 589377440 /nfs/dbraw/zinc/37/74/40/589377440.db2.gz WSNLEPAKCWXUCH-UHFFFAOYSA-N 0 0 244.254 2.263 20 5 BEBDRN CC(C)(Cn1cc(-c2ccccc2)nn1)[N+](=O)[O-] ZINC000864642610 589386775 /nfs/dbraw/zinc/38/67/75/589386775.db2.gz SGCZVVGQRBRHAW-UHFFFAOYSA-N 0 0 246.270 2.000 20 5 BEBDRN CN(CCF)c1c(F)cc([N+](=O)[O-])cc1F ZINC000865839421 589464394 /nfs/dbraw/zinc/46/43/94/589464394.db2.gz MRMMPGYDUJGUCP-UHFFFAOYSA-N 0 0 234.177 2.279 20 5 BEBDRN CC(C)(F)CNc1ccc(N)cc1[N+](=O)[O-] ZINC000865986535 589471321 /nfs/dbraw/zinc/47/13/21/589471321.db2.gz DLJLMBCGXSDOBN-UHFFFAOYSA-N 0 0 227.239 2.337 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC(C)(C)F)n1 ZINC000865987342 589471591 /nfs/dbraw/zinc/47/15/91/589471591.db2.gz ZLPAMAATXMEEAQ-UHFFFAOYSA-N 0 0 227.239 2.458 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCCC[C@@H]1F ZINC000866047748 589474014 /nfs/dbraw/zinc/47/40/14/589474014.db2.gz HKUHLEWXEGGKDN-JGVFFNPUSA-N 0 0 242.254 2.021 20 5 BEBDRN CS[C@H]1C[C@H](Nc2cccnc2[N+](=O)[O-])C1 ZINC000866102887 589476359 /nfs/dbraw/zinc/47/63/59/589476359.db2.gz TZHQNJSFGNHQPZ-ZKCHVHJHSA-N 0 0 239.300 2.296 20 5 BEBDRN CC(C)=CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000869353312 589600648 /nfs/dbraw/zinc/60/06/48/589600648.db2.gz YDNVLXZJRPFBMQ-UHFFFAOYSA-N 0 0 246.266 2.450 20 5 BEBDRN O=[N+]([O-])c1ccnn1C1CC(CF)(CF)C1 ZINC000871648542 589781657 /nfs/dbraw/zinc/78/16/57/589781657.db2.gz MQVUXWZKVKRDJW-UHFFFAOYSA-N 0 0 231.202 2.052 20 5 BEBDRN CC[C@H](Sc1ccc([N+](=O)[O-])cn1)C(C)=O ZINC000871662724 589783959 /nfs/dbraw/zinc/78/39/59/589783959.db2.gz GNYWTWOUNKDJIN-VIFPVBQESA-N 0 0 240.284 2.450 20 5 BEBDRN Cc1cn(C2CC(CF)(CF)C2)nc1[N+](=O)[O-] ZINC000871749343 589804220 /nfs/dbraw/zinc/80/42/20/589804220.db2.gz HQSKOPGTFDSMBT-UHFFFAOYSA-N 0 0 245.229 2.360 20 5 BEBDRN CCC[C@@H](CC)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000873533507 590053472 /nfs/dbraw/zinc/05/34/72/590053472.db2.gz AYNIQYYKCUOYSL-RKDXNWHRSA-N 0 0 217.265 2.021 20 5 BEBDRN CCC[C@@H](CC)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000873543233 590056328 /nfs/dbraw/zinc/05/63/28/590056328.db2.gz NNIZZOHGIKFLCI-SECBINFHSA-N 0 0 231.292 2.411 20 5 BEBDRN CCCOC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000124658273 590071325 /nfs/dbraw/zinc/07/13/25/590071325.db2.gz XDJMELIZCDXNFV-UHFFFAOYSA-N 0 0 227.191 2.301 20 5 BEBDRN O=C(OCC1CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000124689529 590075021 /nfs/dbraw/zinc/07/50/21/590075021.db2.gz KCAKKILOFJHCGM-UHFFFAOYSA-N 0 0 239.202 2.301 20 5 BEBDRN Cc1cc(C(=O)OCCF)ccc1[N+](=O)[O-] ZINC000125596483 590171985 /nfs/dbraw/zinc/17/19/85/590171985.db2.gz SPPKZPSLVXOFLP-UHFFFAOYSA-N 0 0 227.191 2.030 20 5 BEBDRN C=C/C=C\CCn1cc([N+](=O)[O-])cc(C)c1=O ZINC000877879982 590437094 /nfs/dbraw/zinc/43/70/94/590437094.db2.gz XUZPVNCYWLWBFT-PLNGDYQASA-N 0 0 234.255 2.197 20 5 BEBDRN C=C/C=C\CCn1cc([N+](=O)[O-])c(C)n1 ZINC000877881463 590437543 /nfs/dbraw/zinc/43/75/43/590437543.db2.gz SFUMNPIJBIAYFA-PLNGDYQASA-N 0 0 207.233 2.232 20 5 BEBDRN CC(C)(C)c1ccc([N+](=O)[O-])cc1NC(N)=O ZINC000880706400 591126111 /nfs/dbraw/zinc/12/61/11/591126111.db2.gz JQQZDKNYVZVJDW-UHFFFAOYSA-N 0 0 237.259 2.383 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1NC1CCC1 ZINC000881956073 591283847 /nfs/dbraw/zinc/28/38/47/591283847.db2.gz OAKDJIOMBWAWLC-UHFFFAOYSA-N 0 0 211.196 2.093 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1N[C@@H]1CCSC1 ZINC000882030561 591287989 /nfs/dbraw/zinc/28/79/89/591287989.db2.gz OLTJCJXWDVQFBT-ZCFIWIBFSA-N 0 0 243.263 2.046 20 5 BEBDRN O=[N+]([O-])c1cnn(CC[C@H]2CCCC2(F)F)n1 ZINC000882261555 591322685 /nfs/dbraw/zinc/32/26/85/591322685.db2.gz ILXOASBGUPCZID-SSDOTTSWSA-N 0 0 246.217 2.012 20 5 BEBDRN C[C@@H](O)CSc1ncc([N+](=O)[O-])cc1Cl ZINC000882737536 591424327 /nfs/dbraw/zinc/42/43/27/591424327.db2.gz NYFBDCFOXCKDSM-RXMQYKEDSA-N 0 0 248.691 2.116 20 5 BEBDRN O=c1c([N+](=O)[O-])cccn1C/C(Cl)=C/Cl ZINC000129958520 591423900 /nfs/dbraw/zinc/42/39/00/591423900.db2.gz VCWBTXQXMVWFSJ-XQRVVYSFSA-N 0 0 249.053 2.076 20 5 BEBDRN Cc1ccc(SC[C@H](C)O)c([N+](=O)[O-])c1 ZINC000882738131 591424453 /nfs/dbraw/zinc/42/44/53/591424453.db2.gz KRBYSHLUNKMCLG-QMMMGPOBSA-N 0 0 227.285 2.376 20 5 BEBDRN C[C@H](O)CSc1ccsc1[N+](=O)[O-] ZINC000882738074 591424875 /nfs/dbraw/zinc/42/48/75/591424875.db2.gz IIMWVHZIXBALDZ-YFKPBYRVSA-N 0 0 219.287 2.129 20 5 BEBDRN Cc1nc(N2CCC(F)CC2)ccc1[N+](=O)[O-] ZINC000882805632 591445314 /nfs/dbraw/zinc/44/53/14/591445314.db2.gz NUXVJPRZYWDYKO-UHFFFAOYSA-N 0 0 239.250 2.237 20 5 BEBDRN Cc1ccnc(N2CCC(F)CC2)c1[N+](=O)[O-] ZINC000882806912 591445577 /nfs/dbraw/zinc/44/55/77/591445577.db2.gz XTBHTUNKFQLPFY-UHFFFAOYSA-N 0 0 239.250 2.237 20 5 BEBDRN Cc1nn(Cc2cnc(C3CC3)o2)cc1[N+](=O)[O-] ZINC000882988096 591494958 /nfs/dbraw/zinc/49/49/58/591494958.db2.gz ZXRJQHQMGOWEFO-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN O=C(NCCC1CCC1)c1ccc([N+](=O)[O-])o1 ZINC000133143836 591768270 /nfs/dbraw/zinc/76/82/70/591768270.db2.gz PAASJCXYKYJRCU-UHFFFAOYSA-N 0 0 238.243 2.108 20 5 BEBDRN COc1cc(N2C[C@@H]3C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000884589042 591988999 /nfs/dbraw/zinc/98/89/99/591988999.db2.gz RULPVZRFZFILIC-DTORHVGOSA-N 0 0 234.255 2.060 20 5 BEBDRN Cc1ccnc(N(C)CCCF)c1[N+](=O)[O-] ZINC000884857116 592024568 /nfs/dbraw/zinc/02/45/68/592024568.db2.gz PMQBBXVJVFWNPK-UHFFFAOYSA-N 0 0 227.239 2.094 20 5 BEBDRN C[C@H](NCc1ccccc1[N+](=O)[O-])c1ncco1 ZINC000886275859 592195381 /nfs/dbraw/zinc/19/53/81/592195381.db2.gz OSGBQVVSNGJJRR-VIFPVBQESA-N 0 0 247.254 2.434 20 5 BEBDRN O=[N+]([O-])c1c(N2CCCCC2)nc2ccccn21 ZINC000137626542 592205920 /nfs/dbraw/zinc/20/59/20/592205920.db2.gz KJUVNNKHGNSNLJ-UHFFFAOYSA-N 0 0 246.270 2.233 20 5 BEBDRN C/C=C/C(=O)NC[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000887399715 592502611 /nfs/dbraw/zinc/50/26/11/592502611.db2.gz ZXNJHYSGRFZXPB-YVGDHZEHSA-N 0 0 248.282 2.391 20 5 BEBDRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000007449065 592729540 /nfs/dbraw/zinc/72/95/40/592729540.db2.gz KWNKDXOYPOGPMC-UHFFFAOYSA-N 0 0 246.222 2.280 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1OCCF ZINC000084386351 631706755 /nfs/dbraw/zinc/70/67/55/631706755.db2.gz CUZMLTINPXWXRL-UHFFFAOYSA-N 0 0 203.144 2.082 20 5 BEBDRN CC(C)C[C@@H](O)CNc1ccsc1[N+](=O)[O-] ZINC000309375908 632026264 /nfs/dbraw/zinc/02/62/64/632026264.db2.gz RHOMCDPWVKHQIF-MRVPVSSYSA-N 0 0 244.316 2.475 20 5 BEBDRN Cc1ncoc1CNCc1ccccc1[N+](=O)[O-] ZINC000894188365 635744882 /nfs/dbraw/zinc/74/48/82/635744882.db2.gz WRSSYWVQAHZRAR-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN CC(C)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000057950669 632639433 /nfs/dbraw/zinc/63/94/33/632639433.db2.gz NFUAQINNMXRIQD-UHFFFAOYSA-N 0 0 223.228 2.408 20 5 BEBDRN Cc1nccn1CCNc1ccccc1[N+](=O)[O-] ZINC000310634660 632809419 /nfs/dbraw/zinc/80/94/19/632809419.db2.gz PMPHXVVKDLYLHP-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN C[C@@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928247476 635843499 /nfs/dbraw/zinc/84/34/99/635843499.db2.gz VKXKHOIQBUKWEW-YGOYTEALSA-N 0 0 248.282 2.428 20 5 BEBDRN CCCC(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000151213538 635868989 /nfs/dbraw/zinc/86/89/89/635868989.db2.gz ZFAKQZYECSMCPD-UHFFFAOYSA-N 0 0 237.255 2.481 20 5 BEBDRN O=[N+]([O-])c1c2nonc2ccc1N[C@H]1C=CCC1 ZINC000894522320 635906054 /nfs/dbraw/zinc/90/60/54/635906054.db2.gz GUHSNZBDDXGHOY-ZETCQYMHSA-N 0 0 246.226 2.262 20 5 BEBDRN C[C@@H]1CC[C@@H]1Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000310985346 633040962 /nfs/dbraw/zinc/04/09/62/633040962.db2.gz YQYBREHGSXBNRK-RQJHMYQMSA-N 0 0 248.242 2.341 20 5 BEBDRN O=[N+]([O-])c1c2nonc2ccc1N[C@@H]1C=CCC1 ZINC000894522319 635904921 /nfs/dbraw/zinc/90/49/21/635904921.db2.gz GUHSNZBDDXGHOY-SSDOTTSWSA-N 0 0 246.226 2.262 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(NCCC2CC2)c1 ZINC000309536701 633191619 /nfs/dbraw/zinc/19/16/19/633191619.db2.gz FLRMYKCVVHMRQD-UHFFFAOYSA-N 0 0 221.260 2.389 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC1CSC1 ZINC000306992465 635979088 /nfs/dbraw/zinc/97/90/88/635979088.db2.gz WLYXIKPCUSWZID-UHFFFAOYSA-N 0 0 210.258 2.122 20 5 BEBDRN C[C@H](NCC[N+](=O)[O-])c1c(F)cccc1Cl ZINC000309363746 633901368 /nfs/dbraw/zinc/90/13/68/633901368.db2.gz AWFSZCQXVXTJAF-ZETCQYMHSA-N 0 0 246.669 2.406 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCOC2CCC2)s1 ZINC000310042220 634106885 /nfs/dbraw/zinc/10/68/85/634106885.db2.gz ZHFYRZFLTFVSBA-UHFFFAOYSA-N 0 0 243.288 2.032 20 5 BEBDRN Cc1c(CNc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000094196643 635255528 /nfs/dbraw/zinc/25/55/28/635255528.db2.gz MKXQRGVMDNDYIN-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000814044087 635749537 /nfs/dbraw/zinc/74/95/37/635749537.db2.gz OAIZSGGHSSESAP-BBBLOLIVSA-N 0 0 229.276 2.021 20 5 BEBDRN O=[N+]([O-])c1sccc1NC1CC(CCO)C1 ZINC000897231234 636277882 /nfs/dbraw/zinc/27/78/82/636277882.db2.gz BURUDHJVROXGTO-UHFFFAOYSA-N 0 0 242.300 2.229 20 5 BEBDRN CCC(=O)Oc1cc([N+](=O)[O-])ccc1C ZINC000079202636 636279626 /nfs/dbraw/zinc/27/96/26/636279626.db2.gz HCKBVMAECWSJBZ-UHFFFAOYSA-N 0 0 209.201 2.219 20 5 BEBDRN C[C@@H](Cc1ccco1)Nc1ncc([N+](=O)[O-])cn1 ZINC000040454879 636509118 /nfs/dbraw/zinc/50/91/18/636509118.db2.gz CGGSTMYXERCUPD-QMMMGPOBSA-N 0 0 248.242 2.021 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NC/C=C/Cl ZINC000897504041 636728761 /nfs/dbraw/zinc/72/87/61/636728761.db2.gz UNLMCTRERARIHA-SNAWJCMRSA-N 0 0 244.682 2.284 20 5 BEBDRN O=[N+]([O-])CCNCc1cc(C2CC2)ccc1F ZINC000905272500 637732328 /nfs/dbraw/zinc/73/23/28/637732328.db2.gz GYSPIQRBWHLYGT-UHFFFAOYSA-N 0 0 238.262 2.069 20 5 BEBDRN COc1ccc(NCC[N+](=O)[O-])cc1Cl ZINC000905300895 637758755 /nfs/dbraw/zinc/75/87/55/637758755.db2.gz QMVBCBJVZUTOFM-UHFFFAOYSA-N 0 0 230.651 2.037 20 5 BEBDRN CCCOc1cc(F)ccc1NCC[N+](=O)[O-] ZINC000905328349 637759984 /nfs/dbraw/zinc/75/99/84/637759984.db2.gz FRJLHFHSWZETKS-UHFFFAOYSA-N 0 0 242.250 2.303 20 5 BEBDRN Cc1nc2cc(NCC[N+](=O)[O-])ccc2s1 ZINC000905327555 637760273 /nfs/dbraw/zinc/76/02/73/637760273.db2.gz CLZIBHMSCNLNOL-UHFFFAOYSA-N 0 0 237.284 2.293 20 5 BEBDRN CCc1cc(NCC[N+](=O)[O-])ccc1C ZINC000905331806 637781355 /nfs/dbraw/zinc/78/13/55/637781355.db2.gz TUJROZOSPVNQER-UHFFFAOYSA-N 0 0 208.261 2.246 20 5 BEBDRN COCCOc1c(F)cc([N+](=O)[O-])cc1Cl ZINC000912358959 640032613 /nfs/dbraw/zinc/03/26/13/640032613.db2.gz KSHMUIGZZYKZNV-UHFFFAOYSA-N 0 0 249.625 2.413 20 5 BEBDRN O=[N+]([O-])CCN[C@H](C(F)F)C1CCCCC1 ZINC000931103634 640067535 /nfs/dbraw/zinc/06/75/35/640067535.db2.gz DNIWGSHEJMUVPP-VIFPVBQESA-N 0 0 236.262 2.067 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)OCCc1ccccc1[N+](=O)[O-] ZINC000151182630 640322828 /nfs/dbraw/zinc/32/28/28/640322828.db2.gz ASWVEEFNGSZDMV-KOLCDFICSA-N 0 0 249.266 2.337 20 5 BEBDRN CC1(CNc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000224433446 640617751 /nfs/dbraw/zinc/61/77/51/640617751.db2.gz SVERUPGTJPQKKR-UHFFFAOYSA-N 0 0 248.242 2.343 20 5 BEBDRN CC(=O)COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000059512702 640815327 /nfs/dbraw/zinc/81/53/27/640815327.db2.gz SYVUHZNOSZWWHZ-UHFFFAOYSA-N 0 0 229.619 2.216 20 5 BEBDRN C[C@H](O)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228417526 640873579 /nfs/dbraw/zinc/87/35/79/640873579.db2.gz RSLGDXMSJHLDEI-ZETCQYMHSA-N 0 0 244.678 2.431 20 5 BEBDRN Cc1ccc(C(=O)OCC2CC2)cc1[N+](=O)[O-] ZINC000062699459 641076221 /nfs/dbraw/zinc/07/62/21/641076221.db2.gz KAHZTUVUVNBQDW-UHFFFAOYSA-N 0 0 235.239 2.470 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@H]1CCC[C@H]1CO ZINC000230911911 641118555 /nfs/dbraw/zinc/11/85/55/641118555.db2.gz KLCYGQMPDGHDBJ-UWVGGRQHSA-N 0 0 236.271 2.168 20 5 BEBDRN C[C@@H](NCc1ccno1)c1ccc([N+](=O)[O-])cc1 ZINC000231883427 641211825 /nfs/dbraw/zinc/21/18/25/641211825.db2.gz KANRJQOEALDDRT-SECBINFHSA-N 0 0 247.254 2.434 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCC2CC2)c2nonc21 ZINC000088459943 641357218 /nfs/dbraw/zinc/35/72/18/641357218.db2.gz ZKUMQCQLJRTRIR-UHFFFAOYSA-N 0 0 248.242 2.343 20 5 BEBDRN Cc1c(OC(=O)[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000076609269 641712735 /nfs/dbraw/zinc/71/27/35/641712735.db2.gz ZLRUKZZVRIINKV-IONNQARKSA-N 0 0 235.239 2.465 20 5 BEBDRN CCC(CC)OC(=O)c1ccc([N+](=O)[O-])n1C ZINC000762109036 641715896 /nfs/dbraw/zinc/71/58/96/641715896.db2.gz SNNAZKBGJBQMJD-UHFFFAOYSA-N 0 0 240.259 2.279 20 5 BEBDRN O=C(CC1CC1)OCc1ccccc1[N+](=O)[O-] ZINC000914811232 641769573 /nfs/dbraw/zinc/76/95/73/641769573.db2.gz LACAHKIDYOAGEC-UHFFFAOYSA-N 0 0 235.239 2.438 20 5 BEBDRN O=[N+]([O-])c1cnn(C[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1 ZINC000916579026 641952037 /nfs/dbraw/zinc/95/20/37/641952037.db2.gz NVYNDGSNKLXGDQ-VWYCJHECSA-N 0 0 233.271 2.394 20 5 BEBDRN Cc1cc(C)cc(Cn2ccnc2[N+](=O)[O-])c1 ZINC000918344022 642188263 /nfs/dbraw/zinc/18/82/63/642188263.db2.gz XSFGLFHORSUPIM-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN O=[N+]([O-])c1nccn1CCSC(F)(F)F ZINC000918397250 642193540 /nfs/dbraw/zinc/19/35/40/642193540.db2.gz ZQLNDXJIABVFAC-UHFFFAOYSA-N 0 0 241.194 2.044 20 5 BEBDRN CC1(C)CCC[C@@H](n2ccnc2[N+](=O)[O-])C1=O ZINC000918385375 642193811 /nfs/dbraw/zinc/19/38/11/642193811.db2.gz AZFCAPCWDRJTTC-MRVPVSSYSA-N 0 0 237.259 2.112 20 5 BEBDRN COc1cc(Cn2ccnc2[N+](=O)[O-])ccc1C ZINC000918385387 642194126 /nfs/dbraw/zinc/19/41/26/642194126.db2.gz BOYFRMULMSQUDH-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN COC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000918631456 642239825 /nfs/dbraw/zinc/23/98/25/642239825.db2.gz RFTXDQZQYYXGOH-ZETCQYMHSA-N 0 0 224.216 2.012 20 5 BEBDRN C/C=C\COC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000919570811 642358269 /nfs/dbraw/zinc/35/82/69/642358269.db2.gz ZMCGZRZDYLKMRL-IHWYPQMZSA-N 0 0 239.202 2.467 20 5 BEBDRN O=[N+]([O-])c1ccc(/C=C/Sc2nc[nH]n2)o1 ZINC000920390450 642493797 /nfs/dbraw/zinc/49/37/97/642493797.db2.gz IGRGXVDCAYRTGJ-ONEGZZNKSA-N 0 0 238.228 2.069 20 5 BEBDRN CC1(C)COC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000313114745 642504577 /nfs/dbraw/zinc/50/45/77/642504577.db2.gz HJUDOIKIHIHRND-NSHDSACASA-N 0 0 236.271 2.432 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NCC(C)C ZINC000891421150 642511716 /nfs/dbraw/zinc/51/17/16/642511716.db2.gz BYDJVPGBKIPLCH-UHFFFAOYSA-N 0 0 225.248 2.066 20 5 BEBDRN O=Cc1c[nH]nc1C=Cc1ccc([N+](=O)[O-])cc1 ZINC000098125505 642674416 /nfs/dbraw/zinc/67/44/16/642674416.db2.gz YUXWNUGYWCKDLC-ZZXKWVIFSA-N 0 0 243.222 2.301 20 5 BEBDRN CCCC(=O)Oc1cc([N+](=O)[O-])ccc1OC ZINC000070747533 643068372 /nfs/dbraw/zinc/06/83/72/643068372.db2.gz IGPFDZLFIDYFJD-UHFFFAOYSA-N 0 0 239.227 2.309 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2CCC[C@H]3C[C@H]32)c1 ZINC000804781479 643362816 /nfs/dbraw/zinc/36/28/16/643362816.db2.gz HWCSZEVCHNBNQO-GZMMTYOYSA-N 0 0 233.271 2.166 20 5 BEBDRN Cc1cnc(OC/C=C\Cl)c([N+](=O)[O-])c1 ZINC000255133765 643475107 /nfs/dbraw/zinc/47/51/07/643475107.db2.gz UOWPPHMWZBVGIX-IHWYPQMZSA-N 0 0 228.635 2.430 20 5 BEBDRN C/C=C(\C)C(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000177669148 643507052 /nfs/dbraw/zinc/50/70/52/643507052.db2.gz ISAACKOVMGOQAG-FPYGCLRLSA-N 0 0 221.212 2.466 20 5 BEBDRN O=[N+]([O-])c1ccnn1C/C(Cl)=C\Cl ZINC000255356045 643598485 /nfs/dbraw/zinc/59/84/85/643598485.db2.gz NSMJLJAXOWOWGS-HWKANZROSA-N 0 0 222.031 2.110 20 5 BEBDRN CC[C@@H]1C[C@H]1COC(=O)c1ccc([N+](=O)[O-])o1 ZINC000922175255 643890577 /nfs/dbraw/zinc/89/05/77/643890577.db2.gz OAXURQYNOFIBGY-SFYZADRCSA-N 0 0 239.227 2.391 20 5 BEBDRN CC(C)[C@@H](O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000304207066 644151963 /nfs/dbraw/zinc/15/19/63/644151963.db2.gz KPOBZQBWFYLNIY-JTQLQIEISA-N 0 0 243.234 2.130 20 5 BEBDRN O=C(C=C1CCC1)NCc1cccc([N+](=O)[O-])c1 ZINC000087205147 644483448 /nfs/dbraw/zinc/48/34/48/644483448.db2.gz ZLVFOBPKXWXGQG-UHFFFAOYSA-N 0 0 246.266 2.321 20 5 BEBDRN Cc1ccccc1OCCn1cnc([N+](=O)[O-])c1 ZINC000248044425 644661909 /nfs/dbraw/zinc/66/19/09/644661909.db2.gz WJFKVJNAGIDQEA-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN CC(C)(F)C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000092845029 644669936 /nfs/dbraw/zinc/66/99/36/644669936.db2.gz HYFKATOLPSWHTM-UHFFFAOYSA-N 0 0 241.218 2.386 20 5 BEBDRN CCCN(CCC)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822142712 645039898 /nfs/dbraw/zinc/03/98/98/645039898.db2.gz VVAYRMNLGXPUJM-UHFFFAOYSA-N 0 0 244.335 2.471 20 5 BEBDRN CCC1(C)CN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000832297032 645133674 /nfs/dbraw/zinc/13/36/74/645133674.db2.gz BFNSOUHYNBOHGZ-UHFFFAOYSA-N 0 0 242.319 2.080 20 5 BEBDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928245693 645719825 /nfs/dbraw/zinc/71/98/25/645719825.db2.gz VKXKHOIQBUKWEW-KBVBSXBZSA-N 0 0 248.282 2.428 20 5 BEBDRN CCn1ncc(Nc2ncccc2[N+](=O)[O-])c1C ZINC000872779529 645768249 /nfs/dbraw/zinc/76/82/49/645768249.db2.gz QJXKQPUULOUIFC-UHFFFAOYSA-N 0 0 247.258 2.258 20 5 BEBDRN Cc1ccc([C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000929089404 645935227 /nfs/dbraw/zinc/93/52/27/645935227.db2.gz UKQZVJQUSMJNPS-ZDUSSCGKSA-N 0 0 234.299 2.409 20 5 BEBDRN CCOC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000923963239 645968464 /nfs/dbraw/zinc/96/84/64/645968464.db2.gz CMIWPMFRXUCZQV-UHFFFAOYSA-N 0 0 241.218 2.230 20 5 BEBDRN Cc1ccc(C2=CCN(CC[N+](=O)[O-])CC2)cc1 ZINC000929148152 645973559 /nfs/dbraw/zinc/97/35/59/645973559.db2.gz UOZPJNFQYYJHTQ-UHFFFAOYSA-N 0 0 246.310 2.361 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CC23CCC3)s1 ZINC000721187989 712896471 /nfs/dbraw/zinc/89/64/71/712896471.db2.gz LVUTZZRTBNKCRI-ZCFIWIBFSA-N 0 0 225.273 2.406 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CC23CCC3)nc1 ZINC000721228835 712899254 /nfs/dbraw/zinc/89/92/54/712899254.db2.gz GZEVVXCEZBOBQQ-VIFPVBQESA-N 0 0 219.244 2.344 20 5 BEBDRN C[C@H]1C[C@@H]1COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000722673492 711463569 /nfs/dbraw/zinc/46/35/69/711463569.db2.gz IGDXGNJVOCMZII-WCBMZHEXSA-N 0 0 235.239 2.442 20 5 BEBDRN C[C@@H]1C[C@@H]1COc1ccc([N+](=O)[O-])cc1C=O ZINC000722674308 711463635 /nfs/dbraw/zinc/46/36/35/711463635.db2.gz MGOMYTHTKWJBMJ-PSASIEDQSA-N 0 0 235.239 2.442 20 5 BEBDRN CSCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000135044719 711491823 /nfs/dbraw/zinc/49/18/23/711491823.db2.gz SGABKNBRUSXMPD-UHFFFAOYSA-N 0 0 231.248 2.476 20 5 BEBDRN O=Cc1c[nH]nc1C=Cc1ccccc1[N+](=O)[O-] ZINC000255554269 711599628 /nfs/dbraw/zinc/59/96/28/711599628.db2.gz IKGCQEPAZAMNLB-WAYWQWQTSA-N 0 0 243.222 2.301 20 5 BEBDRN Cc1cc(N[C@H]2CC23CC(O)C3)ccc1[N+](=O)[O-] ZINC000724990166 711641463 /nfs/dbraw/zinc/64/14/63/711641463.db2.gz KPOBBQUDEIQUPL-YDGIUTOCSA-N 0 0 248.282 2.229 20 5 BEBDRN C[C@H](CO)SCc1cc(F)ccc1[N+](=O)[O-] ZINC000160696396 711809768 /nfs/dbraw/zinc/80/97/68/711809768.db2.gz CKXKLFCFPLFHLK-SSDOTTSWSA-N 0 0 245.275 2.348 20 5 BEBDRN C[C@H]1C[C@@H]1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000132281221 711979676 /nfs/dbraw/zinc/97/96/76/711979676.db2.gz HAOMAHDGPKYGAZ-NKWVEPMBSA-N 0 0 248.242 2.199 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NC[C@]1(C)CC1(C)C ZINC000702328088 712046920 /nfs/dbraw/zinc/04/69/20/712046920.db2.gz ZHMFWKBSWKWMRJ-NSHDSACASA-N 0 0 238.291 2.176 20 5 BEBDRN CC(=O)c1ccc(N2CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000706815554 712156560 /nfs/dbraw/zinc/15/65/60/712156560.db2.gz LUKLUDHMTSPGIH-QMMMGPOBSA-N 0 0 234.255 2.396 20 5 BEBDRN Cc1ccc(N[C@@H]2COC[C@H]2C)c([N+](=O)[O-])c1 ZINC000710863079 712259854 /nfs/dbraw/zinc/25/98/54/712259854.db2.gz GMTYVSZJIIXPEK-MWLCHTKSSA-N 0 0 236.271 2.350 20 5 BEBDRN O=[N+]([O-])c1cnc(NC[C@H]2C=CCC2)s1 ZINC000711654644 712314827 /nfs/dbraw/zinc/31/48/27/712314827.db2.gz JOBCXGCGGFVDLB-ZETCQYMHSA-N 0 0 225.273 2.429 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC[C@@H]2C[C@H]2C2CC2)nc1 ZINC000712629873 712439380 /nfs/dbraw/zinc/43/93/80/712439380.db2.gz LMNQEDVUVROSQP-KOLCDFICSA-N 0 0 248.286 2.233 20 5 BEBDRN Cc1ccc(N2CC=CC2)c([N+](=O)[O-])c1 ZINC000845561984 712607034 /nfs/dbraw/zinc/60/70/34/712607034.db2.gz NEPAAUNTTPKBOR-UHFFFAOYSA-N 0 0 204.229 2.279 20 5 BEBDRN C[C@H](O)CSc1ccccc1[N+](=O)[O-] ZINC000037696983 712742154 /nfs/dbraw/zinc/74/21/54/712742154.db2.gz KUILVOLQMPKCDD-ZETCQYMHSA-N 0 0 213.258 2.068 20 5 BEBDRN Cc1cc(OC2CC(O)C2)cc(C)c1[N+](=O)[O-] ZINC001218261208 959923216 /nfs/dbraw/zinc/92/32/16/959923216.db2.gz XFMRCSCSPAPMDF-UHFFFAOYSA-N 0 0 237.255 2.114 20 5 BEBDRN Cc1nc(N2CC[C@H]3CCC[C@H]32)ncc1[N+](=O)[O-] ZINC001772506067 1165771959 /nfs/dbraw/zinc/77/19/59/1165771959.db2.gz MNQNKGHVZRYZQH-NXEZZACHSA-N 0 0 248.286 2.072 20 5 BEBDRN CC1(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000228885133 1166230366 /nfs/dbraw/zinc/23/03/66/1166230366.db2.gz BXMWAXYAEUIZLX-UHFFFAOYSA-N 0 0 238.272 2.268 20 5 BEBDRN CO[C@H](C)CCOc1nccc(C)c1[N+](=O)[O-] ZINC001226117585 1167074419 /nfs/dbraw/zinc/07/44/19/1167074419.db2.gz CPCDKGQEJKHAQJ-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN CCC(=O)[C@H](CC)Oc1cncc([N+](=O)[O-])c1 ZINC001227991451 975838147 /nfs/dbraw/zinc/83/81/47/975838147.db2.gz WXQLQSXXKNVHAR-NSHDSACASA-N 0 0 238.243 2.126 20 5 BEBDRN CO[C@H](C)COc1ccnc(Cl)c1[N+](=O)[O-] ZINC001228056834 975882279 /nfs/dbraw/zinc/88/22/79/975882279.db2.gz HKWTYBVDGKDSAO-ZCFIWIBFSA-N 0 0 246.650 2.057 20 5 BEBDRN CC[C@H](C)Oc1cc([N+](=O)[O-])ccc1O ZINC001229397268 976857363 /nfs/dbraw/zinc/85/73/63/976857363.db2.gz FXWIDOHKECPHJY-ZETCQYMHSA-N 0 0 211.217 2.478 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2CCCOC2)cc1F ZINC000225357072 1167442711 /nfs/dbraw/zinc/44/27/11/1167442711.db2.gz JXOYFDYXGROUTM-SECBINFHSA-N 0 0 241.218 2.292 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1N1CC(F)(F)C1 ZINC001336996737 978117348 /nfs/dbraw/zinc/11/73/48/978117348.db2.gz VBXWBOPDDCDPRL-UHFFFAOYSA-N 0 0 249.604 2.099 20 5 BEBDRN CC/C(C)=C(\C)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001595864445 978147117 /nfs/dbraw/zinc/14/71/17/978147117.db2.gz UHXGXXFBYLPFRI-VOTSOKGWSA-N 0 0 238.247 2.003 20 5 BEBDRN CC[C@@H]1C[C@H]1COc1cccnc1[N+](=O)[O-] ZINC000915871690 1167795884 /nfs/dbraw/zinc/79/58/84/1167795884.db2.gz SSHKNMZFIVFTPJ-BDAKNGLRSA-N 0 0 222.244 2.415 20 5 BEBDRN CC1(C)CC[C@@H]1Nc1ccncc1[N+](=O)[O-] ZINC000336651067 1168445603 /nfs/dbraw/zinc/44/56/03/1168445603.db2.gz HUYWNHVIWXGNND-JTQLQIEISA-N 0 0 221.260 2.012 20 5 BEBDRN CCCCC1(C(=O)O[C@@H](C)C[N+](=O)[O-])CC1 ZINC001345020123 980524181 /nfs/dbraw/zinc/52/41/81/980524181.db2.gz XNTWMTDNLROLSI-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CCC1CCC1 ZINC001345696085 980673423 /nfs/dbraw/zinc/67/34/23/980673423.db2.gz YVULDYICGFPSGK-SNVBAGLBSA-N 0 0 229.276 2.165 20 5 BEBDRN CCOCOc1cc([N+](=O)[O-])c(F)cc1F ZINC001346826776 980915963 /nfs/dbraw/zinc/91/59/63/980915963.db2.gz BAJKWVMFFYNVON-UHFFFAOYSA-N 0 0 233.170 2.246 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)CC(C)(C)CC ZINC001349805585 981753194 /nfs/dbraw/zinc/75/31/94/981753194.db2.gz KQTLGOWPMHUIAO-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN O=C1CC(Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225787100 974682637 /nfs/dbraw/zinc/68/26/37/974682637.db2.gz BPABERCSPBFING-UHFFFAOYSA-N 0 0 241.630 2.359 20 5 BEBDRN Cc1ccnc(O[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC001226117146 974798150 /nfs/dbraw/zinc/79/81/50/974798150.db2.gz YPDHAVZCENSYBR-QMMMGPOBSA-N 0 0 222.244 2.476 20 5 BEBDRN CC(=O)[C@H](C)Oc1cc([N+](=O)[O-])c(F)cc1F ZINC001226190665 974823575 /nfs/dbraw/zinc/82/35/75/974823575.db2.gz KWQVDUQXBAXRSF-LURJTMIESA-N 0 0 245.181 2.229 20 5 BEBDRN COc1cccc(COC2CC2)c1[N+](=O)[O-] ZINC001223812601 973300656 /nfs/dbraw/zinc/30/06/56/973300656.db2.gz NTVVXOGSEIHQLW-UHFFFAOYSA-N 0 0 223.228 2.282 20 5 BEBDRN Cc1cccc(OC[C@@H](O)C2CC2)c1[N+](=O)[O-] ZINC000402416517 970801559 /nfs/dbraw/zinc/80/15/59/970801559.db2.gz DQDBMHQROQNNMK-SNVBAGLBSA-N 0 0 237.255 2.053 20 5 BEBDRN Cc1c(OC[C@@H](O)C2CC2)cccc1[N+](=O)[O-] ZINC000402421903 970801568 /nfs/dbraw/zinc/80/15/68/970801568.db2.gz CKNKDOVXRAVIOX-LLVKDONJSA-N 0 0 237.255 2.053 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C1CC1 ZINC000402431244 970802793 /nfs/dbraw/zinc/80/27/93/970802793.db2.gz IFEDDEXQIVVOIM-LLVKDONJSA-N 0 0 237.255 2.053 20 5 BEBDRN CC(C)Cc1nnc(-c2cccc([N+](=O)[O-])n2)o1 ZINC001256480856 970851629 /nfs/dbraw/zinc/85/16/29/970851629.db2.gz DVMOHNUXCDWEBN-UHFFFAOYSA-N 0 0 248.242 2.238 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(Nc2cnccn2)c1 ZINC001216480415 971094447 /nfs/dbraw/zinc/09/44/47/971094447.db2.gz APQQUGMHWSUUDF-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN C[Si](C)(C)CCO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001224907696 974070066 /nfs/dbraw/zinc/07/00/66/974070066.db2.gz UPKLQHFCVVANSR-JTQLQIEISA-N 0 0 231.368 2.397 20 5 BEBDRN C[C@@H](OCCCCO)c1cccc([N+](=O)[O-])c1 ZINC001217887341 971482293 /nfs/dbraw/zinc/48/22/93/971482293.db2.gz GRYIIFRFXAGANI-SNVBAGLBSA-N 0 0 239.271 2.445 20 5 BEBDRN C[C@H](OCCCO)c1cccc([N+](=O)[O-])c1 ZINC001217888527 971483413 /nfs/dbraw/zinc/48/34/13/971483413.db2.gz VFIAICFUHXYZMG-VIFPVBQESA-N 0 0 225.244 2.055 20 5 BEBDRN C[C@@H](O[C@H]1C[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC001217918186 971519018 /nfs/dbraw/zinc/51/90/18/971519018.db2.gz LQHOWOKKARLZJX-FXAINCCUSA-N 0 0 237.255 2.196 20 5 BEBDRN CCC=CNc1cnc([N+](=O)[O-])c(OC)c1 ZINC001170767351 971767450 /nfs/dbraw/zinc/76/74/50/971767450.db2.gz PSBSGIQHCCBNRG-SNAWJCMRSA-N 0 0 223.232 2.334 20 5 BEBDRN CC[C@@H](C)[C@@H](C)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229451102 1169662065 /nfs/dbraw/zinc/66/20/65/1169662065.db2.gz BZDHETANPOFAJZ-RKDXNWHRSA-N 0 0 240.259 2.042 20 5 BEBDRN CCCC[C@H](C)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229451284 1169662353 /nfs/dbraw/zinc/66/23/53/1169662353.db2.gz DMEIHBITSXMUTO-VIFPVBQESA-N 0 0 240.259 2.186 20 5 BEBDRN CC[C@@H](Oc1cc[n+]([O-])cc1[N+](=O)[O-])C(C)C ZINC001229455862 1169663245 /nfs/dbraw/zinc/66/32/45/1169663245.db2.gz MZEQSDLVHLVXLE-SNVBAGLBSA-N 0 0 240.259 2.042 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC[C@H]1C[C@@H](O)C1 ZINC001218432381 971811726 /nfs/dbraw/zinc/81/17/26/971811726.db2.gz RFIMIZPMWMDLFM-AOOOYVTPSA-N 0 0 237.255 2.053 20 5 BEBDRN Cn1ccc(Nc2cccc([N+](=O)[O-])c2F)n1 ZINC001210378961 957736136 /nfs/dbraw/zinc/73/61/36/957736136.db2.gz SGDHKLGMTGICEZ-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cscc1C ZINC001349806095 958838925 /nfs/dbraw/zinc/83/89/25/958838925.db2.gz QZNZKFKFNUFBRZ-QMMMGPOBSA-N 0 0 243.284 2.269 20 5 BEBDRN CC(=O)CNc1cc([N+](=O)[O-])cc(C)c1F ZINC001167629614 959144787 /nfs/dbraw/zinc/14/47/87/959144787.db2.gz OAZKJFVUIHPHII-UHFFFAOYSA-N 0 0 226.207 2.043 20 5 BEBDRN CC(=O)CNc1cc([N+](=O)[O-])ccc1Cl ZINC001167630798 959148896 /nfs/dbraw/zinc/14/88/96/959148896.db2.gz MMMFILWBTAYWID-UHFFFAOYSA-N 0 0 228.635 2.249 20 5 BEBDRN CC[C@@H](C)O[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001204622319 959913336 /nfs/dbraw/zinc/91/33/36/959913336.db2.gz LJXPLBUNFQIXHG-BDAKNGLRSA-N 0 0 241.291 2.303 20 5 BEBDRN C[C@H](OCc1ncon1)c1cccc([N+](=O)[O-])c1 ZINC001222895371 960840404 /nfs/dbraw/zinc/84/04/04/960840404.db2.gz PFQUGPDGQFDUHO-QMMMGPOBSA-N 0 0 249.226 2.256 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@H]1CC=CCC1 ZINC001344404962 961633181 /nfs/dbraw/zinc/63/31/81/961633181.db2.gz XVAWHIMIMSWEHX-WDEREUQCSA-N 0 0 241.287 2.331 20 5 BEBDRN CCCNc1ccc([N+](=O)[O-])c(OCC)n1 ZINC000087840888 961765380 /nfs/dbraw/zinc/76/53/80/961765380.db2.gz NQBCCCWPTZRCPS-UHFFFAOYSA-N 0 0 225.248 2.210 20 5 BEBDRN C[C@@H](C[N+](C)(C)C)Oc1ccccc1[S-] ZINC001225587566 962343890 /nfs/dbraw/zinc/34/38/90/962343890.db2.gz LCCMDTKPJONKBO-JTQLQIEISA-O 0 0 226.365 2.449 20 5 BEBDRN COC[C@H](C)Oc1ccnc(Cl)c1[N+](=O)[O-] ZINC000710631327 962426286 /nfs/dbraw/zinc/42/62/86/962426286.db2.gz NQRZZCVVVWHXOO-LURJTMIESA-N 0 0 246.650 2.057 20 5 BEBDRN CC(C)(C)ONC(=O)c1ccc([N+](=O)[O-])s1 ZINC000134233764 962750234 /nfs/dbraw/zinc/75/02/34/962750234.db2.gz HWEMKLCUGSRCBT-UHFFFAOYSA-N 0 0 244.272 2.116 20 5 BEBDRN CCCCNc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001154827896 962862253 /nfs/dbraw/zinc/86/22/53/962862253.db2.gz JHWRTHVEBVJIGG-UHFFFAOYSA-N 0 0 245.666 2.094 20 5 BEBDRN Cc1cnccc1CNc1cccc([N+](=O)[O-])n1 ZINC001155217496 963028838 /nfs/dbraw/zinc/02/88/38/963028838.db2.gz GZADTOBPLGTBQN-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1ncc([N+](=O)[O-])c(NC2(C)CCC2)n1 ZINC001156069695 963245407 /nfs/dbraw/zinc/24/54/07/963245407.db2.gz QEWULXXDIWSSSJ-UHFFFAOYSA-N 0 0 222.248 2.048 20 5 BEBDRN N=CNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001157078346 963525457 /nfs/dbraw/zinc/52/54/57/963525457.db2.gz KEXGXSMMUHBFHH-UHFFFAOYSA-N 0 0 216.200 2.162 20 5 BEBDRN CCCNc1ncc([N+](=O)[O-])c(C)c1C ZINC001157361459 963584659 /nfs/dbraw/zinc/58/46/59/963584659.db2.gz HDCPPBSQHWIXCS-UHFFFAOYSA-N 0 0 209.249 2.429 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(NC2CSC2)n1 ZINC001157576589 963666432 /nfs/dbraw/zinc/66/64/32/963666432.db2.gz LBUIPGSBTKXIPW-UHFFFAOYSA-N 0 0 239.300 2.134 20 5 BEBDRN C[C@H](Nc1cc(N)c([N+](=O)[O-])cn1)C(C)(C)C ZINC001157876258 963752170 /nfs/dbraw/zinc/75/21/70/963752170.db2.gz SDFWQNGRRHVLJW-ZETCQYMHSA-N 0 0 238.291 2.419 20 5 BEBDRN C[C@H](Nc1ncc([N+](=O)[O-])cc1N)C(C)(C)C ZINC001157877802 963753146 /nfs/dbraw/zinc/75/31/46/963753146.db2.gz BSBDANYTMDADIM-ZETCQYMHSA-N 0 0 238.291 2.419 20 5 BEBDRN O=[N+]([O-])c1ccncc1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001228880852 963902806 /nfs/dbraw/zinc/90/28/06/963902806.db2.gz YJEWGMGOOXNEPA-IQJOONFLSA-N 0 0 232.239 2.333 20 5 BEBDRN O=[N+]([O-])c1ccncc1O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001228880853 963902871 /nfs/dbraw/zinc/90/28/71/963902871.db2.gz YJEWGMGOOXNEPA-NGZCFLSTSA-N 0 0 232.239 2.333 20 5 BEBDRN CO[C@@H](C)CNc1cc(Cl)ncc1[N+](=O)[O-] ZINC001158806876 963926958 /nfs/dbraw/zinc/92/69/58/963926958.db2.gz DGAOFXOBLGZWNV-LURJTMIESA-N 0 0 245.666 2.090 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(OC[C@@H]2CCCO2)cc1 ZINC001229116841 964028524 /nfs/dbraw/zinc/02/85/24/964028524.db2.gz XXNWMLQEDVRULH-GWJCSSMESA-N 0 0 249.266 2.492 20 5 BEBDRN O=[N+]([O-])c1cc(NC[C@H]2C[C@H](F)C2)cnc1F ZINC001168238752 964031359 /nfs/dbraw/zinc/03/13/59/964031359.db2.gz SBJAAPRNJFBWRH-LJGSYFOKSA-N 0 0 243.213 2.289 20 5 BEBDRN CCn1ncc(Nc2ccc([N+](=O)[O-])cn2)c1C ZINC000872777969 964527314 /nfs/dbraw/zinc/52/73/14/964527314.db2.gz WDNSXPNGUOLPCT-UHFFFAOYSA-N 0 0 247.258 2.258 20 5 BEBDRN COc1c(N)c(C)c(Cl)cc1[N+](=O)[O-] ZINC001161700316 964682709 /nfs/dbraw/zinc/68/27/09/964682709.db2.gz VORUYQJBGOFTJL-UHFFFAOYSA-N 0 0 216.624 2.147 20 5 BEBDRN C[C@@H](OC[C@@H]1CCO1)c1ccccc1[N+](=O)[O-] ZINC001224471227 964691049 /nfs/dbraw/zinc/69/10/49/964691049.db2.gz AWBWGIGCLXMCME-ZJUUUORDSA-N 0 0 237.255 2.461 20 5 BEBDRN C/C=C\C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000228146236 965285519 /nfs/dbraw/zinc/28/55/19/965285519.db2.gz IKNILZPHCGVOHZ-UTCJRWHESA-N 0 0 234.255 2.129 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(N(C)C)nc1Cl ZINC001163569288 965450265 /nfs/dbraw/zinc/45/02/65/965450265.db2.gz NWHWXOMENIOWLQ-UHFFFAOYSA-N 0 0 215.640 2.018 20 5 BEBDRN CCOc1nc(N(C)C(C)C)ccc1[N+](=O)[O-] ZINC001163621568 965483846 /nfs/dbraw/zinc/48/38/46/965483846.db2.gz IIZKTIKMZIWHLD-UHFFFAOYSA-N 0 0 239.275 2.233 20 5 BEBDRN Cn1cc([N+](=O)[O-])c(N[C@@H]2CCCC[C@@H]2F)n1 ZINC001163862112 965609078 /nfs/dbraw/zinc/60/90/78/965609078.db2.gz ZXDGBXMHXMVRAU-JGVFFNPUSA-N 0 0 242.254 2.021 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NC1(C)CCC1 ZINC001164023718 965698730 /nfs/dbraw/zinc/69/87/30/965698730.db2.gz WRHLPFHAEJUKBM-UHFFFAOYSA-N 0 0 237.259 2.353 20 5 BEBDRN CC1CC(N(C)c2ncc([N+](=O)[O-])cc2F)C1 ZINC001164195276 965788168 /nfs/dbraw/zinc/78/81/68/965788168.db2.gz NQZSAJDFXHGBTD-UHFFFAOYSA-N 0 0 239.250 2.364 20 5 BEBDRN C[C@H]1C[C@@H](CF)N(c2cccc([N+](=O)[O-])n2)C1 ZINC001164258788 965813052 /nfs/dbraw/zinc/81/30/52/965813052.db2.gz JYHXVAPSLXLLLQ-IUCAKERBSA-N 0 0 239.250 2.174 20 5 BEBDRN Cc1cc(Cn2cc([N+](=O)[O-])cn2)cs1 ZINC001165504378 966108776 /nfs/dbraw/zinc/10/87/76/966108776.db2.gz OBXWWVMGCCMITM-UHFFFAOYSA-N 0 0 223.257 2.210 20 5 BEBDRN C[C@H](CCO)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001165905634 966196436 /nfs/dbraw/zinc/19/64/36/966196436.db2.gz PJOHPGSJYKTACD-SSDOTTSWSA-N 0 0 244.678 2.431 20 5 BEBDRN CCCC(=O)COc1ccsc1[N+](=O)[O-] ZINC001166202877 966254024 /nfs/dbraw/zinc/25/40/24/966254024.db2.gz WVIADKRULCLLGM-UHFFFAOYSA-N 0 0 229.257 2.404 20 5 BEBDRN Cc1ccnc(Nc2ccc([N+](=O)[O-])nc2)c1 ZINC001203561441 966687738 /nfs/dbraw/zinc/68/77/38/966687738.db2.gz WIRIZMLVLQBCQO-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN CCn1cc(Nc2ccc([N+](=O)[O-])nc2)c(C)n1 ZINC001203560744 966691426 /nfs/dbraw/zinc/69/14/26/966691426.db2.gz OPSAKLDHGYFIRL-UHFFFAOYSA-N 0 0 247.258 2.258 20 5 BEBDRN Cc1cc(Nc2cccc([N+](=O)[O-])c2)nn1C ZINC001204406975 966992490 /nfs/dbraw/zinc/99/24/90/966992490.db2.gz JOHOJUGQRQPCNG-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Cc1ccnnc1Nc1cccc([N+](=O)[O-])c1 ZINC001204440410 966997992 /nfs/dbraw/zinc/99/79/92/966997992.db2.gz YFEYHIPAIKZPNZ-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN O=[N+]([O-])C[C@H](OCCc1ccccc1)C1CC1 ZINC001205000995 967284218 /nfs/dbraw/zinc/28/42/18/967284218.db2.gz ZOLYXZWTFNQBIP-ZDUSSCGKSA-N 0 0 235.283 2.301 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NCCC1(C)CC1 ZINC001117302903 967570597 /nfs/dbraw/zinc/57/05/97/967570597.db2.gz FQRNZYSJTBIKMD-UHFFFAOYSA-N 0 0 235.287 2.322 20 5 BEBDRN O=[N+]([O-])c1c2[nH]cnc2ccc1NCC(F)F ZINC001161815688 967656445 /nfs/dbraw/zinc/65/64/45/967656445.db2.gz MFSHXSDYGWEFIB-UHFFFAOYSA-N 0 0 242.185 2.148 20 5 BEBDRN CC(C)N(C)c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001163619641 968082743 /nfs/dbraw/zinc/08/27/43/968082743.db2.gz YXZXDMSDPRXHAN-UHFFFAOYSA-N 0 0 246.270 2.383 20 5 BEBDRN Cc1cc(Nc2ccccc2[N+](=O)[O-])n(C)n1 ZINC001206139956 968083068 /nfs/dbraw/zinc/08/30/68/968083068.db2.gz CJFPQVRSWSIBSS-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Cc1ccnnc1Nc1ccccc1[N+](=O)[O-] ZINC001206150084 968086343 /nfs/dbraw/zinc/08/63/43/968086343.db2.gz ATCDQRFXUOGTKV-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ncncc1Nc1ccccc1[N+](=O)[O-] ZINC001206144263 968086583 /nfs/dbraw/zinc/08/65/83/968086583.db2.gz HBVIWHVKYVOHBZ-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1cnn(C)c1Nc1ccccc1[N+](=O)[O-] ZINC001206150347 968087575 /nfs/dbraw/zinc/08/75/75/968087575.db2.gz OVJWMNMLFGWOLN-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Nc1cncc(Nc2ccccc2[N+](=O)[O-])c1 ZINC001206150556 968091060 /nfs/dbraw/zinc/09/10/60/968091060.db2.gz ZUXNBBBHUWRSTR-UHFFFAOYSA-N 0 0 230.227 2.316 20 5 BEBDRN Cc1ncc(Nc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC001206158096 968097701 /nfs/dbraw/zinc/09/77/01/968097701.db2.gz RCLKVJPTGFFVHL-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN CSCCCNc1cnc(F)c([N+](=O)[O-])c1 ZINC001163875623 968123517 /nfs/dbraw/zinc/12/35/17/968123517.db2.gz NRUUJQFKCQYNRL-UHFFFAOYSA-N 0 0 245.279 2.294 20 5 BEBDRN Nc1ccccc1CNc1cccc([N+](=O)[O-])n1 ZINC001155983276 969140679 /nfs/dbraw/zinc/14/06/79/969140679.db2.gz OAUCQHQGUKPOIV-UHFFFAOYSA-N 0 0 244.254 2.184 20 5 BEBDRN Nc1ccc(Nc2ccc(F)nc2)cc1[N+](=O)[O-] ZINC001209932261 969694837 /nfs/dbraw/zinc/69/48/37/969694837.db2.gz MFCSEFJGBDSONL-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN Nc1ccc(Nc2ccc[nH]c2=O)cc1[N+](=O)[O-] ZINC001209932777 969694958 /nfs/dbraw/zinc/69/49/58/969694958.db2.gz UARWTXAZUNDCBO-UHFFFAOYSA-N 0 0 246.226 2.021 20 5 BEBDRN Nc1ccc(Nc2cc(F)ccn2)cc1[N+](=O)[O-] ZINC001209932280 969697725 /nfs/dbraw/zinc/69/77/25/969697725.db2.gz NIZOXXRWVKJNSO-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN O=c1cc(Nc2ccc(O)c([N+](=O)[O-])c2)cc[nH]1 ZINC001210393616 969881901 /nfs/dbraw/zinc/88/19/01/969881901.db2.gz WLKBKQJEDARBTG-UHFFFAOYSA-N 0 0 247.210 2.145 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2cncc(O)c2)ccc1O ZINC001210392463 969882505 /nfs/dbraw/zinc/88/25/05/969882505.db2.gz DPKUCKUMXINQOD-UHFFFAOYSA-N 0 0 247.210 2.145 20 5 BEBDRN Cc1ccnnc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210396218 969884525 /nfs/dbraw/zinc/88/45/25/969884525.db2.gz NYHOSTSXKZDXQI-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Nc1ccno1 ZINC001210444468 969888924 /nfs/dbraw/zinc/88/89/24/969888924.db2.gz GFWNGPJUORREOB-UHFFFAOYSA-N 0 0 235.199 2.335 20 5 BEBDRN COc1ccc([N+](=O)[O-])cc1Nc1cn(C)cn1 ZINC001210443651 969889686 /nfs/dbraw/zinc/88/96/86/969889686.db2.gz JXPXMPQUIIVZSN-UHFFFAOYSA-N 0 0 248.242 2.081 20 5 BEBDRN CCc1nnc(-c2ccc(F)cc2[N+](=O)[O-])o1 ZINC001255132755 969948569 /nfs/dbraw/zinc/94/85/69/969948569.db2.gz WDCNYSZEGVKDNF-UHFFFAOYSA-N 0 0 237.190 2.346 20 5 BEBDRN CCCN(C)c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001156874775 970015743 /nfs/dbraw/zinc/01/57/43/970015743.db2.gz WCVPKDDKIJVFIQ-UHFFFAOYSA-N 0 0 229.667 2.489 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2cnccn2)ccc1F ZINC001211189606 970170547 /nfs/dbraw/zinc/17/05/47/970170547.db2.gz ZXCIYXMECWYAGG-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN Cc1ccc(Nc2cnncc2N)cc1[N+](=O)[O-] ZINC001213663456 970376072 /nfs/dbraw/zinc/37/60/72/970376072.db2.gz HNDRWHXYDQRPFG-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN COC(=O)Oc1c(F)cc(F)cc1[N+](=O)[O-] ZINC001213814918 970386600 /nfs/dbraw/zinc/38/66/00/970386600.db2.gz ZQKQZIPJVMMCPF-UHFFFAOYSA-N 0 0 233.126 2.018 20 5 BEBDRN Cc1ccc(Nc2ccn[nH]c2=O)c([N+](=O)[O-])c1 ZINC001214169592 970446977 /nfs/dbraw/zinc/44/69/77/970446977.db2.gz UZYAGWKLISLMMF-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN CC(C)(CCc1nnc(C2CCC2)o1)[N+](=O)[O-] ZINC001327364964 972556935 /nfs/dbraw/zinc/55/69/35/972556935.db2.gz QQSCZLNOVSDIIQ-UHFFFAOYSA-N 0 0 239.275 2.325 20 5 BEBDRN O=[N+]([O-])c1ccccc1COC[C@H]1CCCO1 ZINC001222760481 972684415 /nfs/dbraw/zinc/68/44/15/972684415.db2.gz PRWLACSGKLHTRP-LLVKDONJSA-N 0 0 237.255 2.290 20 5 BEBDRN O=[N+]([O-])c1ccccc1COC1CCOCC1 ZINC001222762576 972684752 /nfs/dbraw/zinc/68/47/52/972684752.db2.gz MOMUHCOAEQKXLG-UHFFFAOYSA-N 0 0 237.255 2.290 20 5 BEBDRN C[C@H]1COC[C@@H]1OCc1ccc([N+](=O)[O-])cc1 ZINC001222789370 972697532 /nfs/dbraw/zinc/69/75/32/972697532.db2.gz LKBZUOKIGYXBND-CABZTGNLSA-N 0 0 237.255 2.146 20 5 BEBDRN CC(=O)[C@H](C)OCc1ccc([N+](=O)[O-])cc1 ZINC001222791544 972698565 /nfs/dbraw/zinc/69/85/65/972698565.db2.gz SLCUVQQTLSPHGG-VIFPVBQESA-N 0 0 223.228 2.089 20 5 BEBDRN C[C@H](O[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC001223424981 973065979 /nfs/dbraw/zinc/06/59/79/973065979.db2.gz OJGYEIAIYMKTGN-JOYOIKCWSA-N 0 0 237.255 2.461 20 5 BEBDRN COCc1nnc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC001328447995 973068528 /nfs/dbraw/zinc/06/85/28/973068528.db2.gz XQTOATPPHPHYKE-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN O=[N+]([O-])c1cc(COC2CC2)cc([N+](=O)[O-])c1 ZINC001223489038 973092301 /nfs/dbraw/zinc/09/23/01/973092301.db2.gz XTHJOAZBFGXDFR-UHFFFAOYSA-N 0 0 238.199 2.182 20 5 BEBDRN Cc1cccc(COC[C@H]2CCO2)c1[N+](=O)[O-] ZINC001223661044 973212809 /nfs/dbraw/zinc/21/28/09/973212809.db2.gz KKTVIQTUGNMDJS-LLVKDONJSA-N 0 0 237.255 2.209 20 5 BEBDRN COC[C@H](C)OCc1cccc(C)c1[N+](=O)[O-] ZINC001223659759 973218102 /nfs/dbraw/zinc/21/81/02/973218102.db2.gz UVYUQGRHLMMOPC-JTQLQIEISA-N 0 0 239.271 2.455 20 5 BEBDRN CCC(F)(F)CNc1ncc([N+](=O)[O-])c(C)n1 ZINC001328815973 973356908 /nfs/dbraw/zinc/35/69/08/973356908.db2.gz VVBHUYPFUOEPFH-UHFFFAOYSA-N 0 0 246.217 2.150 20 5 BEBDRN CC[C@@H](C)OCc1ccc([N+](=O)[O-])nc1 ZINC001224108856 973449300 /nfs/dbraw/zinc/44/93/00/973449300.db2.gz LVFYDFMPWBXKGO-MRVPVSSYSA-N 0 0 210.233 2.305 20 5 BEBDRN O=[N+]([O-])c1ccc(COC2CC2)c([N+](=O)[O-])c1 ZINC001224096390 973451155 /nfs/dbraw/zinc/45/11/55/973451155.db2.gz NDNJCFUMEJTTFX-UHFFFAOYSA-N 0 0 238.199 2.182 20 5 BEBDRN O=[N+]([O-])c1ccc(CO[C@@H]2C[C@H]3C[C@H]3C2)cn1 ZINC001224108318 973451406 /nfs/dbraw/zinc/45/14/06/973451406.db2.gz FWWUZQQVJNOKIB-JGPRNRPPSA-N 0 0 234.255 2.305 20 5 BEBDRN CC[C@@H](C)CO[C@@H](C[N+](=O)[O-])C1CC1 ZINC001224664464 973838809 /nfs/dbraw/zinc/83/88/09/973838809.db2.gz PJHANJLKJJDNCP-SCZZXKLOSA-N 0 0 201.266 2.104 20 5 BEBDRN CCc1cccc(-c2noc(CC[N+](=O)[O-])n2)c1 ZINC001247521306 973977375 /nfs/dbraw/zinc/97/73/75/973977375.db2.gz MTGOEFBMTUYHRR-UHFFFAOYSA-N 0 0 247.254 2.118 20 5 BEBDRN CC(=O)CC(C)(C)Nc1cccnc1[N+](=O)[O-] ZINC001171500205 974087825 /nfs/dbraw/zinc/08/78/25/974087825.db2.gz YZJQOXDRYVSVJD-UHFFFAOYSA-N 0 0 237.259 2.159 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CCC[C@@H]2C[C@@H]21 ZINC001330319237 974228132 /nfs/dbraw/zinc/22/81/32/974228132.db2.gz PSBSYWJEBPXJIF-ZJUUUORDSA-N 0 0 233.271 2.287 20 5 BEBDRN Cc1ccc(O[C@@H](C[N+](=O)[O-])C2CC2)c(C)n1 ZINC001225430252 974484569 /nfs/dbraw/zinc/48/45/69/974484569.db2.gz ACFDUAKQIMGHPF-LBPRGKRZSA-N 0 0 236.271 2.133 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@H]1CC[C@H](C)C1 ZINC001330860269 974507255 /nfs/dbraw/zinc/50/72/55/974507255.db2.gz FAVHGIAMIXJHAE-WPRPVWTQSA-N 0 0 235.287 2.321 20 5 BEBDRN C[C@H](C[N+](C)(C)C)Oc1ccc([S-])cc1 ZINC001225554412 974550987 /nfs/dbraw/zinc/55/09/87/974550987.db2.gz CLMQLTCLKMYSSC-SNVBAGLBSA-O 0 0 226.365 2.449 20 5 BEBDRN CCC(=O)[C@@H](CC)Oc1ncccc1[N+](=O)[O-] ZINC001225593769 974579989 /nfs/dbraw/zinc/57/99/89/974579989.db2.gz YFIUWRLWDURQIQ-SNVBAGLBSA-N 0 0 238.243 2.126 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1ccc(Cl)nc1)C1CC1 ZINC001225599426 974584454 /nfs/dbraw/zinc/58/44/54/974584454.db2.gz UZTRAVNWCCMLBC-SECBINFHSA-N 0 0 242.662 2.169 20 5 BEBDRN O=[N+]([O-])c1ccc(OC2CCSCC2)nc1 ZINC001225627498 974603260 /nfs/dbraw/zinc/60/32/60/974603260.db2.gz BOJSBAFVGCOYGC-UHFFFAOYSA-N 0 0 240.284 2.264 20 5 BEBDRN Cc1cc(O[C@@H]2C=CCC2)ncc1[N+](=O)[O-] ZINC001225661221 974630988 /nfs/dbraw/zinc/63/09/88/974630988.db2.gz IZRDQIHEMCIIAN-SECBINFHSA-N 0 0 220.228 2.396 20 5 BEBDRN C[C@H]1CCC[C@@H]1Oc1[nH]ccc(=O)c1[N+](=O)[O-] ZINC001225663183 974631194 /nfs/dbraw/zinc/63/11/94/974631194.db2.gz ZVAURGSWFDJHKV-CBAPKCEASA-N 0 0 238.243 2.263 20 5 BEBDRN CC[C@@H](C)C(=O)OCc1cccnc1[N+](=O)[O-] ZINC001331475432 974738003 /nfs/dbraw/zinc/73/80/03/974738003.db2.gz QAAMJDRBOQMJJH-MRVPVSSYSA-N 0 0 238.243 2.079 20 5 BEBDRN O=[N+]([O-])c1cccc(O)c1OC1CC=CC1 ZINC001226334841 974862391 /nfs/dbraw/zinc/86/23/91/974862391.db2.gz ZETPJAZIBTYENS-UHFFFAOYSA-N 0 0 221.212 2.398 20 5 BEBDRN O=[N+]([O-])c1cccc(O)c1O[C@@H]1C=CCC1 ZINC001226334013 974862445 /nfs/dbraw/zinc/86/24/45/974862445.db2.gz QIXCXMABSSFRNZ-MRVPVSSYSA-N 0 0 221.212 2.398 20 5 BEBDRN C[C@@H](Oc1c(O)cccc1[N+](=O)[O-])C1CC1 ZINC001226335783 974863776 /nfs/dbraw/zinc/86/37/76/974863776.db2.gz MCFLUEVYMFLXEH-SSDOTTSWSA-N 0 0 223.228 2.478 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1ccc2c(c1)CCO2)C1CC1 ZINC001226363732 974868207 /nfs/dbraw/zinc/86/82/07/974868207.db2.gz WLQUJKFPWFSVBE-CYBMUJFWSA-N 0 0 249.266 2.056 20 5 BEBDRN C[C@@H](Oc1ccnn1C)c1ccccc1[N+](=O)[O-] ZINC001226399061 974882233 /nfs/dbraw/zinc/88/22/33/974882233.db2.gz WGDVMYYAEIJFIH-SECBINFHSA-N 0 0 247.254 2.468 20 5 BEBDRN C[C@@H](Oc1cc[nH]n1)c1ccccc1[N+](=O)[O-] ZINC001226429175 974895906 /nfs/dbraw/zinc/89/59/06/974895906.db2.gz JVEUYYUZHVZIEX-MRVPVSSYSA-N 0 0 233.227 2.458 20 5 BEBDRN O=[N+]([O-])C[C@H](OCC1CCC1)c1cccnc1 ZINC001206175916 974939580 /nfs/dbraw/zinc/93/95/80/974939580.db2.gz FTRILAKUELFBLH-LBPRGKRZSA-N 0 0 236.271 2.216 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2C=CCCC2)cn1 ZINC001226709352 975038077 /nfs/dbraw/zinc/03/80/77/975038077.db2.gz HSNNWQCICZQNFH-VIFPVBQESA-N 0 0 220.228 2.477 20 5 BEBDRN CCCOC[C@H](C)Oc1ccc([N+](=O)[O-])nc1 ZINC001226709125 975038932 /nfs/dbraw/zinc/03/89/32/975038932.db2.gz FFGAPMOEHJZHSF-VIFPVBQESA-N 0 0 240.259 2.184 20 5 BEBDRN CO[C@@H](C)CCOc1ncc([N+](=O)[O-])cc1C ZINC001226761500 975062686 /nfs/dbraw/zinc/06/26/86/975062686.db2.gz ITCVQTPMBLAKPA-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN CC[C@@H](COC)Oc1cccc([N+](=O)[O-])c1 ZINC001226763223 975063485 /nfs/dbraw/zinc/06/34/85/975063485.db2.gz MMWTWMIAJWWGNJ-JTQLQIEISA-N 0 0 225.244 2.399 20 5 BEBDRN Cc1ccc(OC[C@@H]2CCO2)cc1[N+](=O)[O-] ZINC001226950487 975179291 /nfs/dbraw/zinc/17/92/91/975179291.db2.gz KFTNNSAECZDDJM-JTQLQIEISA-N 0 0 223.228 2.071 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1O[C@H]1CCCOC1 ZINC001226994900 975212817 /nfs/dbraw/zinc/21/28/17/975212817.db2.gz IJJSZMCSGLKVQS-NSHDSACASA-N 0 0 237.255 2.461 20 5 BEBDRN CO[C@H](C)CCOc1nc(C)ccc1[N+](=O)[O-] ZINC001227062496 975247823 /nfs/dbraw/zinc/24/78/23/975247823.db2.gz OGWHIWOREARVAP-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1noc(N[C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001339822615 1169987579 /nfs/dbraw/zinc/98/75/79/1169987579.db2.gz HRYHENPSDYUJDD-SSDOTTSWSA-N 0 0 248.242 2.459 20 5 BEBDRN Cc1cc(O)ccc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001227450146 975427415 /nfs/dbraw/zinc/42/74/15/975427415.db2.gz MUDUTUHLANHQJF-GFCCVEGCSA-N 0 0 237.255 2.135 20 5 BEBDRN COC(=O)c1sc([N+](=O)[O-])cc1OC(C)C ZINC001227542357 975535436 /nfs/dbraw/zinc/53/54/36/975535436.db2.gz YOHYZBQXYMJVPW-UHFFFAOYSA-N 0 0 245.256 2.230 20 5 BEBDRN C[C@H](Oc1ccn(C)n1)c1ccccc1[N+](=O)[O-] ZINC001227685801 975611768 /nfs/dbraw/zinc/61/17/68/975611768.db2.gz XRHMFLHRPIGZLY-VIFPVBQESA-N 0 0 247.254 2.468 20 5 BEBDRN COC[C@H](C)Oc1c(OC)cccc1[N+](=O)[O-] ZINC001227698458 975622005 /nfs/dbraw/zinc/62/20/05/975622005.db2.gz WIKDNBXXAPFIBI-QMMMGPOBSA-N 0 0 241.243 2.017 20 5 BEBDRN Cc1ccccc1C[C@H](C)[N@H+](C)CC[N+](=O)[O-] ZINC001333485434 975810839 /nfs/dbraw/zinc/81/08/39/975810839.db2.gz FDYKUYVLWJRSFQ-LBPRGKRZSA-N 0 0 236.315 2.135 20 5 BEBDRN CCCOC[C@@H](C)Oc1cncc([N+](=O)[O-])c1 ZINC001227986715 975835268 /nfs/dbraw/zinc/83/52/68/975835268.db2.gz BXNYPXBLWVJNBB-SECBINFHSA-N 0 0 240.259 2.184 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NC/C=C/C1CC1 ZINC001333720022 976028554 /nfs/dbraw/zinc/02/85/54/976028554.db2.gz UUFBVKLDRQHXBI-NSCUHMNNSA-N 0 0 249.270 2.377 20 5 BEBDRN Cc1nc(NC2CC(C)(C)C2)ncc1[N+](=O)[O-] ZINC001333739208 976050107 /nfs/dbraw/zinc/05/01/07/976050107.db2.gz FTAWVGGJYIYSLU-UHFFFAOYSA-N 0 0 236.275 2.294 20 5 BEBDRN CC(C)C(C)(C)CNc1c([N+](=O)[O-])cnn1C ZINC001333751569 976061715 /nfs/dbraw/zinc/06/17/15/976061715.db2.gz OGCHEOSPLZNLGK-UHFFFAOYSA-N 0 0 240.307 2.422 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CCOC1 ZINC001228570277 976329370 /nfs/dbraw/zinc/32/93/70/976329370.db2.gz AQKCXOBATQHRFD-LLVKDONJSA-N 0 0 237.255 2.379 20 5 BEBDRN CC1(C)[C@@H]2C[C@@H](Oc3ncncc3[N+](=O)[O-])C[C@@H]21 ZINC001228654267 976408247 /nfs/dbraw/zinc/40/82/47/976408247.db2.gz IGELHKZAXIKFOX-PSVAKVPMSA-N 0 0 249.270 2.198 20 5 BEBDRN O=[N+]([O-])c1cncnc1O[C@H]1CCCC[C@H]1F ZINC001228654962 976409183 /nfs/dbraw/zinc/40/91/83/976409183.db2.gz OCUGRQGRJHECCR-APPZFPTMSA-N 0 0 241.222 2.044 20 5 BEBDRN C[C@@H]1CC=CC[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC001334335570 976454313 /nfs/dbraw/zinc/45/43/13/976454313.db2.gz JQESZJIFVRFNHF-NXEZZACHSA-N 0 0 233.271 2.178 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@H]2CCO2)cc1Cl ZINC001228757410 976483783 /nfs/dbraw/zinc/48/37/83/976483783.db2.gz UMEWTZSALPXMIL-MRVPVSSYSA-N 0 0 243.646 2.416 20 5 BEBDRN CC(=O)[C@@H](C)Oc1cc(C)cc([N+](=O)[O-])c1 ZINC001228833999 976513059 /nfs/dbraw/zinc/51/30/59/976513059.db2.gz XRWBINZIRXOKCV-SECBINFHSA-N 0 0 223.228 2.260 20 5 BEBDRN C[C@@H](Oc1cnccc1[N+](=O)[O-])C1CC1 ZINC001228880264 976547469 /nfs/dbraw/zinc/54/74/69/976547469.db2.gz SAUDPNLATYKUJJ-SSDOTTSWSA-N 0 0 208.217 2.167 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OC[C@@H]1CCO1 ZINC001228916123 976576680 /nfs/dbraw/zinc/57/66/80/976576680.db2.gz PMJLGXANOOYXMG-JTQLQIEISA-N 0 0 223.228 2.071 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1ccc2c(c1)OCC2)C1CC1 ZINC001228997719 976632141 /nfs/dbraw/zinc/63/21/41/976632141.db2.gz RWVJTIYUKXJNPA-ZDUSSCGKSA-N 0 0 249.266 2.056 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1ccc(C2CC2)cn1)C1CC1 ZINC001228999894 976634770 /nfs/dbraw/zinc/63/47/70/976634770.db2.gz FNVIHJBTJJGARE-LBPRGKRZSA-N 0 0 248.282 2.393 20 5 BEBDRN COC[C@H](C)Oc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001229118595 976745981 /nfs/dbraw/zinc/74/59/81/976745981.db2.gz GZVQKIIYEHMZNR-JARNTUPDSA-N 0 0 237.255 2.348 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccon2)cc1 ZINC001174476036 976794691 /nfs/dbraw/zinc/79/46/91/976794691.db2.gz QUSMYXJFGXPNIV-UHFFFAOYSA-N 0 0 205.173 2.326 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ncccc2CO)cc1 ZINC001174477527 976796740 /nfs/dbraw/zinc/79/67/40/976796740.db2.gz SEGOMNWSWPVKBQ-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN Nc1cncc(Nc2ccc([N+](=O)[O-])cc2)c1 ZINC001174477012 976797465 /nfs/dbraw/zinc/79/74/65/976797465.db2.gz HQQNKHOQEHGCRZ-UHFFFAOYSA-N 0 0 230.227 2.316 20 5 BEBDRN Cc1cncnc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174478164 976800649 /nfs/dbraw/zinc/80/06/49/976800649.db2.gz QEDYQGKUUQBDMK-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN C[C@H](NCC[N+](=O)[O-])c1ccc(Cl)c(F)c1 ZINC001354473290 1170010359 /nfs/dbraw/zinc/01/03/59/1170010359.db2.gz WXSMMTAEWYVSRH-ZETCQYMHSA-N 0 0 246.669 2.406 20 5 BEBDRN C=CC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001335867597 977337099 /nfs/dbraw/zinc/33/70/99/977337099.db2.gz UTHWZCYFKMJJLC-UHFFFAOYSA-N 0 0 240.646 2.050 20 5 BEBDRN Cc1nc(N[C@@H]2CC23CCC3)ncc1[N+](=O)[O-] ZINC001335873455 977340650 /nfs/dbraw/zinc/34/06/50/977340650.db2.gz RVKNMHOANHGUFK-SECBINFHSA-N 0 0 234.259 2.048 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(Nc2ncccn2)cc1 ZINC001175901080 977812043 /nfs/dbraw/zinc/81/20/43/977812043.db2.gz YUQNWEOYDDWPCT-RMKNXTFCSA-N 0 0 242.238 2.468 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(Nc2ccncn2)cc1 ZINC001175901098 977813437 /nfs/dbraw/zinc/81/34/37/977813437.db2.gz ZGKRQXDWYNHKEW-SOFGYWHQSA-N 0 0 242.238 2.468 20 5 BEBDRN C=CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001336701618 977866203 /nfs/dbraw/zinc/86/62/03/977866203.db2.gz KMAHXRFVGOQPIZ-UHFFFAOYSA-N 0 0 246.266 2.272 20 5 BEBDRN COc1ccc(Nc2ccno2)cc1[N+](=O)[O-] ZINC001176360773 978049100 /nfs/dbraw/zinc/04/91/00/978049100.db2.gz WIKBTANXKIWVJN-UHFFFAOYSA-N 0 0 235.199 2.335 20 5 BEBDRN Cc1ccnc(N[C@@H]2C[C@@H]3CC[C@H]2O3)c1[N+](=O)[O-] ZINC001336991435 978115604 /nfs/dbraw/zinc/11/56/04/978115604.db2.gz KESTZWADQCIXBB-IVZWLZJFSA-N 0 0 249.270 2.030 20 5 BEBDRN Cc1cc(NC(=O)[C@@H]2C[C@@H]2F)cc([N+](=O)[O-])c1 ZINC001337878352 978548465 /nfs/dbraw/zinc/54/84/65/978548465.db2.gz HIIRUVMJPCDBPT-ZJUUUORDSA-N 0 0 238.218 2.200 20 5 BEBDRN C[C@H](O)C(C)(C)CNc1sccc1[N+](=O)[O-] ZINC001338030535 978594267 /nfs/dbraw/zinc/59/42/67/978594267.db2.gz YBGSKXAUCCWULL-ZETCQYMHSA-N 0 0 244.316 2.475 20 5 BEBDRN CO[C@H](C)COc1cc([N+](=O)[O-])c(C)cc1F ZINC001234062263 978764740 /nfs/dbraw/zinc/76/47/40/978764740.db2.gz ZEVTXIQYBPGZLD-MRVPVSSYSA-N 0 0 243.234 2.456 20 5 BEBDRN Cc1cc(F)c(O[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC001234056677 978765152 /nfs/dbraw/zinc/76/51/52/978765152.db2.gz KWBAKOROOHMAFW-MRVPVSSYSA-N 0 0 241.218 2.210 20 5 BEBDRN CCc1ccc(C(=O)NC2(C)CC2)cc1[N+](=O)[O-] ZINC001339797089 978918076 /nfs/dbraw/zinc/91/80/76/978918076.db2.gz ISRRCBZPXRQUFV-UHFFFAOYSA-N 0 0 248.282 2.440 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(O[C@H](C)C2CC2)n1 ZINC001234879748 978924255 /nfs/dbraw/zinc/92/42/55/978924255.db2.gz SFGSPZVIVFVRDL-SSDOTTSWSA-N 0 0 238.243 2.176 20 5 BEBDRN CCOCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC001341566752 979469526 /nfs/dbraw/zinc/46/95/26/979469526.db2.gz LQCOJCUMZCQGMY-UHFFFAOYSA-N 0 0 249.226 2.181 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001343678534 980187523 /nfs/dbraw/zinc/18/75/23/980187523.db2.gz BLYXNZYWOHOVNS-MMWGEVLESA-N 0 0 241.287 2.021 20 5 BEBDRN CCC[C@@H](CC)C(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001344403867 980384556 /nfs/dbraw/zinc/38/45/56/980384556.db2.gz PRNRZAVIUPCRPW-ZJUUUORDSA-N 0 0 231.292 2.411 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C)C1CCC1 ZINC001344401128 980388765 /nfs/dbraw/zinc/38/87/65/980388765.db2.gz BNWUGDWIXQGPHZ-SCZZXKLOSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC=CCCC1 ZINC001344843631 980482396 /nfs/dbraw/zinc/48/23/96/980482396.db2.gz UKWBRTVORKYGLB-WDEREUQCSA-N 0 0 241.287 2.331 20 5 BEBDRN Cc1ccnc(NC/C=C/Cl)c1[N+](=O)[O-] ZINC001187824376 980557661 /nfs/dbraw/zinc/55/76/61/980557661.db2.gz RQAMUENXFDQWTQ-DUXPYHPUSA-N 0 0 227.651 2.463 20 5 BEBDRN CC(C)(COC(=O)C[C@@H]1CC=CCC1)[N+](=O)[O-] ZINC001345358970 980601153 /nfs/dbraw/zinc/60/11/53/980601153.db2.gz TUWJJHJYTMQMJQ-SNVBAGLBSA-N 0 0 241.287 2.331 20 5 BEBDRN Cc1ncc(COc2ccccc2[N+](=O)[O-])o1 ZINC001188210025 980626487 /nfs/dbraw/zinc/62/64/87/980626487.db2.gz MBJFBFAIHDSVDG-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001345693059 980672870 /nfs/dbraw/zinc/67/28/70/980672870.db2.gz HVNVVJHCSQAZPS-OUAUKWLOSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001345693057 980673315 /nfs/dbraw/zinc/67/33/15/980673315.db2.gz HVNVVJHCSQAZPS-HBNTYKKESA-N 0 0 243.303 2.411 20 5 BEBDRN O=[N+]([O-])c1ccc(SCc2cc[nH]n2)nc1 ZINC001189014474 980734001 /nfs/dbraw/zinc/73/40/01/980734001.db2.gz QZDMWFORSUZZAR-UHFFFAOYSA-N 0 0 236.256 2.005 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1cc(C)c(C)o1 ZINC001346195649 980780201 /nfs/dbraw/zinc/78/02/01/980780201.db2.gz AQFZMSWUNVDSBW-SECBINFHSA-N 0 0 241.243 2.109 20 5 BEBDRN O=c1[nH]ccc(N[C@H]2C=CCCC2)c1[N+](=O)[O-] ZINC001347231185 981015473 /nfs/dbraw/zinc/01/54/73/981015473.db2.gz KYPUBHXMCQDQOZ-QMMMGPOBSA-N 0 0 235.243 2.216 20 5 BEBDRN CON(C(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC001347699122 981149828 /nfs/dbraw/zinc/14/98/28/981149828.db2.gz OSMBBTLLAOWOBY-UHFFFAOYSA-N 0 0 238.243 2.007 20 5 BEBDRN C[C@@]1(F)CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC001347839705 981192125 /nfs/dbraw/zinc/19/21/25/981192125.db2.gz JRKCYQSZMRPIDS-LLVKDONJSA-N 0 0 239.250 2.318 20 5 BEBDRN C[C@@H](COC(=O)C1(C)CCC(C)CC1)[N+](=O)[O-] ZINC001348532616 981383384 /nfs/dbraw/zinc/38/33/84/981383384.db2.gz FYRIBDIZLYOWMO-YZRBJQDESA-N 0 0 243.303 2.411 20 5 BEBDRN O=C(NC/C=C/Cl)c1ccccc1[N+](=O)[O-] ZINC001585947330 981956943 /nfs/dbraw/zinc/95/69/43/981956943.db2.gz LUELUKWIKIDPCA-ZZXKWVIFSA-N 0 0 240.646 2.077 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NCCC(C)(C)F ZINC001350502095 981990140 /nfs/dbraw/zinc/99/01/40/981990140.db2.gz RBMXQIBGWNAYFN-UHFFFAOYSA-N 0 0 241.266 2.270 20 5 BEBDRN CC[C@H](C)Nc1nc(OC)ccc1[N+](=O)[O-] ZINC000080223647 982375991 /nfs/dbraw/zinc/37/59/91/982375991.db2.gz QREZNRPRSNKGGC-ZETCQYMHSA-N 0 0 225.248 2.209 20 5 BEBDRN Cc1c(Nc2cc(O)cc([N+](=O)[O-])c2)cnn1C ZINC001199802778 983019732 /nfs/dbraw/zinc/01/97/32/983019732.db2.gz YIDMILMMQZDJPK-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN CN(CC[N+](=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC001354707880 983347873 /nfs/dbraw/zinc/34/78/73/983347873.db2.gz BJJMRYWNKAIBCJ-UHFFFAOYSA-N 0 0 246.669 2.188 20 5 BEBDRN Cc1nnc(-c2c[nH]c3cc([N+](=O)[O-])ccc23)o1 ZINC001253387805 984145566 /nfs/dbraw/zinc/14/55/66/984145566.db2.gz UIXCTCSNSQECTF-UHFFFAOYSA-N 0 0 244.210 2.435 20 5 BEBDRN Cc1nnc(-c2cc(Cl)ncc2[N+](=O)[O-])o1 ZINC001253443956 984170434 /nfs/dbraw/zinc/17/04/34/984170434.db2.gz COTKAUNYVPWRQR-UHFFFAOYSA-N 0 0 240.606 2.002 20 5 BEBDRN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC1 ZINC001443752129 984538226 /nfs/dbraw/zinc/53/82/26/984538226.db2.gz NRORCZVZXRCRNP-UHFFFAOYSA-N 0 0 240.646 2.094 20 5 BEBDRN Cc1cc(N[C@@H]2COC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000688045809 985517302 /nfs/dbraw/zinc/51/73/02/985517302.db2.gz RXAUKCRJYYXZEH-GXSJLCMTSA-N 0 0 236.271 2.350 20 5 BEBDRN Cc1cc(N[C@@H]2COC[C@H]2C)ccc1[N+](=O)[O-] ZINC000688045812 985520759 /nfs/dbraw/zinc/52/07/59/985520759.db2.gz RXAUKCRJYYXZEH-MWLCHTKSSA-N 0 0 236.271 2.350 20 5 BEBDRN O=[N+]([O-])c1cccc(Cc2nnc(C3CC3)o2)c1 ZINC001254077516 986494393 /nfs/dbraw/zinc/49/43/93/986494393.db2.gz FKHRDTXMOWXVSY-UHFFFAOYSA-N 0 0 245.238 2.446 20 5 BEBDRN CCc1nnc(Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001255057208 986801985 /nfs/dbraw/zinc/80/19/85/986801985.db2.gz UWBVIMMXVLIYOU-UHFFFAOYSA-N 0 0 233.227 2.131 20 5 BEBDRN CCc1nnc(-c2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC001255060479 986805777 /nfs/dbraw/zinc/80/57/77/986805777.db2.gz BHYAXQDHIJSJTB-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN C/C=C(\C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001468692122 986932023 /nfs/dbraw/zinc/93/20/23/986932023.db2.gz ORJIXBMLDHVKDY-XVNBXDOJSA-N 0 0 235.243 2.082 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CC[C@@H](C)C1 ZINC001116711031 987680242 /nfs/dbraw/zinc/68/02/42/987680242.db2.gz RVOXHTYTYVYLNZ-MRVPVSSYSA-N 0 0 221.260 2.144 20 5 BEBDRN COCc1nnc(-c2cc(C)ccc2[N+](=O)[O-])o1 ZINC001323011318 988430499 /nfs/dbraw/zinc/43/04/99/988430499.db2.gz IVYCBVVCLHHJRA-UHFFFAOYSA-N 0 0 249.226 2.100 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1NC[C@@H](C)C1CC1 ZINC001323091762 988449279 /nfs/dbraw/zinc/44/92/79/988449279.db2.gz RDWMZIBZHZORGR-MRVPVSSYSA-N 0 0 235.287 2.178 20 5 BEBDRN C[C@@]1(F)CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC001118985622 988771687 /nfs/dbraw/zinc/77/16/87/988771687.db2.gz AOVRTQNTCCUWSW-LLVKDONJSA-N 0 0 239.250 2.318 20 5 BEBDRN CC/C=C\CNc1c(C)cncc1[N+](=O)[O-] ZINC001324424469 988835237 /nfs/dbraw/zinc/83/52/37/988835237.db2.gz KZXQUJDJGUTRDN-PLNGDYQASA-N 0 0 221.260 2.098 20 5 BEBDRN Cc1cncc(Nc2cc([N+](=O)[O-])cnc2C)n1 ZINC001248745781 989141285 /nfs/dbraw/zinc/14/12/85/989141285.db2.gz HJKVMSDEBPBENX-UHFFFAOYSA-N 0 0 245.242 2.140 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccccc1C ZINC001517180231 989206743 /nfs/dbraw/zinc/20/67/43/989206743.db2.gz UURDRDJYGHNOSX-SNVBAGLBSA-N 0 0 237.255 2.207 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC12CC2 ZINC001517179455 989207335 /nfs/dbraw/zinc/20/73/35/989207335.db2.gz NVRMMKGYNCYPLN-UWVGGRQHSA-N 0 0 241.287 2.165 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC[C@@H]1C ZINC001517179285 989207410 /nfs/dbraw/zinc/20/74/10/989207410.db2.gz LDVRWVSFTAIOIW-HBNTYKKESA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC12CC2 ZINC001517179454 989208437 /nfs/dbraw/zinc/20/84/37/989208437.db2.gz NVRMMKGYNCYPLN-NXEZZACHSA-N 0 0 241.287 2.165 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1cncs1 ZINC001249544090 989302683 /nfs/dbraw/zinc/30/26/83/989302683.db2.gz DJQRMYWWWAERTD-UHFFFAOYSA-N 0 0 236.256 2.498 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C[C@H]1C=CCCC1 ZINC001520098946 989508413 /nfs/dbraw/zinc/50/84/13/989508413.db2.gz BFTNBTPLTYOHMT-QWRGUYRKSA-N 0 0 241.287 2.331 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)CCC(C)C ZINC001520099334 989509598 /nfs/dbraw/zinc/50/95/98/989509598.db2.gz LDKLICMGYQGFAT-VIFPVBQESA-N 0 0 217.265 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C1=CCCCCC1 ZINC001520099253 989510035 /nfs/dbraw/zinc/51/00/35/989510035.db2.gz JDSZJUVQJKSBLM-LLVKDONJSA-N 0 0 241.287 2.475 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCC[C@@H](O)C1CC1 ZINC001119983823 989540536 /nfs/dbraw/zinc/54/05/36/989540536.db2.gz RDJZQMWKUHGMSZ-SECBINFHSA-N 0 0 242.300 2.229 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1ccccc1F ZINC001526649671 990164080 /nfs/dbraw/zinc/16/40/80/990164080.db2.gz RNTGLOVJOCPXEK-QMMMGPOBSA-N 0 0 241.218 2.038 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1ccccc1F ZINC001526649667 990169164 /nfs/dbraw/zinc/16/91/64/990169164.db2.gz RNTGLOVJOCPXEK-MRVPVSSYSA-N 0 0 241.218 2.038 20 5 BEBDRN CCc1ccc(OC(=O)CCF)c([N+](=O)[O-])c1 ZINC001122427914 990384499 /nfs/dbraw/zinc/38/44/99/990384499.db2.gz QCHNXIHPUYEOLD-UHFFFAOYSA-N 0 0 241.218 2.422 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC[C@H]1CC ZINC001123355257 990551664 /nfs/dbraw/zinc/55/16/64/990551664.db2.gz NWOBOEGOSZGDQK-MXWKQRLJSA-N 0 0 243.303 2.411 20 5 BEBDRN CCC/C(C)=C\C(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001123355764 990558489 /nfs/dbraw/zinc/55/84/89/990558489.db2.gz VNPXFBOWCDSOEJ-RNKPRXRFSA-N 0 0 229.276 2.331 20 5 BEBDRN CC(=O)c1cccc(Cn2ccnc2[N+](=O)[O-])c1 ZINC001559454018 991110651 /nfs/dbraw/zinc/11/06/51/991110651.db2.gz HRBYHYCDNKFTSH-UHFFFAOYSA-N 0 0 245.238 2.042 20 5 BEBDRN Cc1c[nH]c(Nc2cc(C)c([N+](=O)[O-])cn2)n1 ZINC001319291513 991834794 /nfs/dbraw/zinc/83/47/94/991834794.db2.gz VEOCQAYRBPAGPY-UHFFFAOYSA-N 0 0 233.231 2.073 20 5 BEBDRN O=[N+]([O-])CC[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC001262252543 992819911 /nfs/dbraw/zinc/81/99/11/992819911.db2.gz UVUITLVCGJEMPC-VFNNOXKTSA-N 0 0 246.310 2.441 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C12CCC(CC1)CC2 ZINC001263504335 993343611 /nfs/dbraw/zinc/34/36/11/993343611.db2.gz ULHZVADAWMOHDJ-GRZMOONWSA-N 0 0 241.287 2.165 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C(C)(C)C(C)C ZINC001263623334 993429340 /nfs/dbraw/zinc/42/93/40/993429340.db2.gz OARVNCIYEJXKJF-SECBINFHSA-N 0 0 231.292 2.267 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C1(CC)CCC1 ZINC001263624061 993430145 /nfs/dbraw/zinc/43/01/45/993430145.db2.gz JICSBSXHVIBDQV-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@H](C)[C@@H](C)CC ZINC001263623491 993430568 /nfs/dbraw/zinc/43/05/68/993430568.db2.gz RWXZEFDOXRNNNA-IVZWLZJFSA-N 0 0 231.292 2.267 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)cn1 ZINC000020324548 1170153223 /nfs/dbraw/zinc/15/32/23/1170153223.db2.gz JWULQYNMZOQKTJ-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN CC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1F ZINC000038082137 1171017290 /nfs/dbraw/zinc/01/72/90/1171017290.db2.gz SNRSSDJSANJTON-ZETCQYMHSA-N 0 0 227.191 2.090 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1Nc1ccc(F)cc1 ZINC001649208180 1171131549 /nfs/dbraw/zinc/13/15/49/1171131549.db2.gz ZCTDJHHAIKSPEG-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN CC(=O)[C@@H](C)Oc1ccc(F)cc1[N+](=O)[O-] ZINC000052065598 1171938187 /nfs/dbraw/zinc/93/81/87/1171938187.db2.gz VVZCTLLRRYRINN-SSDOTTSWSA-N 0 0 227.191 2.090 20 5 BEBDRN CC[C@H](CNc1ccc([N+](=O)[O-])s1)OC ZINC000309056949 349439218 /nfs/dbraw/zinc/43/92/18/349439218.db2.gz UWBQYNCFGBFUTP-SSDOTTSWSA-N 0 0 230.289 2.493 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(NC[C@@H](C)OC)c1 ZINC000224351781 398145080 /nfs/dbraw/zinc/14/50/80/398145080.db2.gz MRVSRUNFMWNFSO-MRVPVSSYSA-N 0 0 240.259 2.050 20 5 BEBDRN Cc1cc(CNCc2ccccc2[N+](=O)[O-])on1 ZINC000044986115 178027243 /nfs/dbraw/zinc/02/72/43/178027243.db2.gz KTGPJJJMJPEDOQ-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN COc1ccc([N+](=O)[O-])c(N(C)CC2CC2)c1 ZINC000266462586 398169793 /nfs/dbraw/zinc/16/97/93/398169793.db2.gz YXYGMFUNENWSLE-UHFFFAOYSA-N 0 0 236.271 2.450 20 5 BEBDRN CON(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000298193229 398172606 /nfs/dbraw/zinc/17/26/06/398172606.db2.gz AWANNBUWOMSUHC-UHFFFAOYSA-N 0 0 216.624 2.246 20 5 BEBDRN Cc1cc(F)c(NC(=O)C2CC2)cc1[N+](=O)[O-] ZINC000282274864 178075488 /nfs/dbraw/zinc/07/54/88/178075488.db2.gz ATJJNZCCKPYKAU-UHFFFAOYSA-N 0 0 238.218 2.391 20 5 BEBDRN CCCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266050479 398209204 /nfs/dbraw/zinc/20/92/04/398209204.db2.gz NLZISOMXOVFECL-UHFFFAOYSA-N 0 0 236.271 2.054 20 5 BEBDRN Cc1cc(NC(C)(C)[C@H](C)O)ccc1[N+](=O)[O-] ZINC000158813140 178152490 /nfs/dbraw/zinc/15/24/90/178152490.db2.gz WQFFIWGEQGQFQK-VIFPVBQESA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1cc(NCCn2cccc2)ncc1[N+](=O)[O-] ZINC000267267973 178163219 /nfs/dbraw/zinc/16/32/19/178163219.db2.gz LVHNLARKJAYYPX-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN Cc1cc(NCc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000040727261 178172504 /nfs/dbraw/zinc/17/25/04/178172504.db2.gz CTBPNQGVGYZDTM-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cc(N[C@@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000147763487 178183024 /nfs/dbraw/zinc/18/30/24/178183024.db2.gz ABDFIFUVOSQNSZ-MWLCHTKSSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cc(N[C@H](C)CCCO)ccc1[N+](=O)[O-] ZINC000094944808 178185900 /nfs/dbraw/zinc/18/59/00/178185900.db2.gz OYWJTHLZJPRJDY-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN CC(=O)c1ccc(Nc2c[nH]cn2)c([N+](=O)[O-])c1 ZINC000576440239 365594955 /nfs/dbraw/zinc/59/49/55/365594955.db2.gz ICSSWNZDAWUWTP-UHFFFAOYSA-N 0 0 246.226 2.264 20 5 BEBDRN Cc1cc(N[C@H]2CCO[C@@H]2C)ccc1[N+](=O)[O-] ZINC000147763687 178189705 /nfs/dbraw/zinc/18/97/05/178189705.db2.gz ABDFIFUVOSQNSZ-KOLCDFICSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1c(Nc2cc(C)c([N+](=O)[O-])cn2)cnn1C ZINC000362560954 178193542 /nfs/dbraw/zinc/19/35/42/178193542.db2.gz LBAGSDXQXXFMNU-UHFFFAOYSA-N 0 0 247.258 2.084 20 5 BEBDRN Cc1cc([N+](=O)[O-])cn(C2CCCC2)c1=O ZINC000096778523 178274232 /nfs/dbraw/zinc/27/42/32/178274232.db2.gz WJRFJNHDXCAMSF-UHFFFAOYSA-N 0 0 222.244 2.180 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(C(=O)NC(C)C)c1F ZINC000232701935 178269693 /nfs/dbraw/zinc/26/96/93/178269693.db2.gz KFIFKFZMSMKMHS-UHFFFAOYSA-N 0 0 240.234 2.181 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NCCC1(C)CC1 ZINC000359845007 178269948 /nfs/dbraw/zinc/26/99/48/178269948.db2.gz LGHORZAKVYXJBH-UHFFFAOYSA-N 0 0 235.287 2.322 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC12CC2 ZINC000335143009 178271024 /nfs/dbraw/zinc/27/10/24/178271024.db2.gz SGKANGSYVAWFPC-LLVKDONJSA-N 0 0 246.266 2.186 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC1(C)C ZINC000299564850 178271133 /nfs/dbraw/zinc/27/11/33/178271133.db2.gz BGRHYBCIUFQYSK-NSHDSACASA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](F)[C@@H](F)C1 ZINC000295082961 178271558 /nfs/dbraw/zinc/27/15/58/178271558.db2.gz YBBQQNVVEAONBK-AOOOYVTPSA-N 0 0 242.225 2.399 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[C@H]1C ZINC000299577303 178271589 /nfs/dbraw/zinc/27/15/89/178271589.db2.gz DBWCXAVJKSFWGB-PSASIEDQSA-N 0 0 248.282 2.289 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N(C)CCCCO ZINC000276239810 178271837 /nfs/dbraw/zinc/27/18/37/178271837.db2.gz PGFBARYZODBGJU-UHFFFAOYSA-N 0 0 238.287 2.112 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[C@H]1C ZINC000162832254 178272165 /nfs/dbraw/zinc/27/21/65/178272165.db2.gz LQXZBDWPJMXYOI-LDYMZIIASA-N 0 0 249.270 2.433 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@@H]1C=C[C@H](CO)C1 ZINC000277140506 178272598 /nfs/dbraw/zinc/27/25/98/178272598.db2.gz CDTSJSNVZOMAAK-WDEREUQCSA-N 0 0 248.282 2.252 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCO1 ZINC000036949140 178273165 /nfs/dbraw/zinc/27/31/65/178273165.db2.gz PGHLPLFPEDIYDC-NSHDSACASA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1S[C@@H](C)[C@H](C)O ZINC000092658821 178275315 /nfs/dbraw/zinc/27/53/15/178275315.db2.gz LWEFGUKIMOSFSG-YUMQZZPRSA-N 0 0 242.300 2.160 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1CC1 ZINC000421445048 192339661 /nfs/dbraw/zinc/33/96/61/192339661.db2.gz KAUMIGBOHQSRGT-UHFFFAOYSA-N 0 0 248.282 2.351 20 5 BEBDRN CC(C)C[C@@H](C)Nc1c([N+](=O)[O-])ncn1C ZINC000035663879 259312147 /nfs/dbraw/zinc/31/21/47/259312147.db2.gz UGUKQFFBSARUSJ-MRVPVSSYSA-N 0 0 226.280 2.175 20 5 BEBDRN NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000334559724 136231477 /nfs/dbraw/zinc/23/14/77/136231477.db2.gz CNOOUAACENSNDS-DTWKUNHWSA-N 0 0 206.201 2.234 20 5 BEBDRN Cc1ccc(C(=O)N2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000299578517 178394190 /nfs/dbraw/zinc/39/41/90/178394190.db2.gz AVCAPOFHLPPROA-SECBINFHSA-N 0 0 248.282 2.385 20 5 BEBDRN O=[N+]([O-])c1ccccc1SCCCO ZINC000035650328 342753978 /nfs/dbraw/zinc/75/39/78/342753978.db2.gz IUWOLLFBTRVOQP-UHFFFAOYSA-N 0 0 213.258 2.069 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCSCC1CC1 ZINC000601910931 342789436 /nfs/dbraw/zinc/78/94/36/342789436.db2.gz CODCDFUEJPMDGZ-UHFFFAOYSA-N 0 0 241.316 2.243 20 5 BEBDRN C/C=C\CSCCn1c(C)ncc1[N+](=O)[O-] ZINC000601918198 342792096 /nfs/dbraw/zinc/79/20/96/342792096.db2.gz XEVSAGNBIYSKBF-ARJAWSKDSA-N 0 0 241.316 2.409 20 5 BEBDRN CC[C@](C)(CO)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000094659726 398296136 /nfs/dbraw/zinc/29/61/36/398296136.db2.gz OMSUOJBEKXYUIW-GFCCVEGCSA-N 0 0 238.287 2.476 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CC[C@@H](O)C2)s1 ZINC000309596553 398304073 /nfs/dbraw/zinc/30/40/73/398304073.db2.gz UVCCHOZASWTWEY-HTQZYQBOSA-N 0 0 242.300 2.229 20 5 BEBDRN C[C@@H](F)CCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000349834494 398309177 /nfs/dbraw/zinc/30/91/77/398309177.db2.gz YFHWQEZNQBPMNF-ZCFIWIBFSA-N 0 0 248.641 2.158 20 5 BEBDRN C[C@H]1CN(c2ccsc2[N+](=O)[O-])CCCO1 ZINC000608973864 342856296 /nfs/dbraw/zinc/85/62/96/342856296.db2.gz KKKFQZXLBGWOLN-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN CO[C@@H]1CCCN(c2ccsc2[N+](=O)[O-])C1 ZINC000609075187 342860034 /nfs/dbraw/zinc/86/00/34/342860034.db2.gz SPACKTNJTHFRFG-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN Cc1cnc(S[C@H](C)[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000078671115 398310455 /nfs/dbraw/zinc/31/04/55/398310455.db2.gz SWEVBRNDPOCDBL-HTQZYQBOSA-N 0 0 242.300 2.160 20 5 BEBDRN O=[N+]([O-])c1ccsc1NC[C@@H]1CC[C@@H](O)C1 ZINC000302695852 398319968 /nfs/dbraw/zinc/31/99/68/398319968.db2.gz SUASUYIIWMBZJJ-HTQZYQBOSA-N 0 0 242.300 2.229 20 5 BEBDRN CC(C)=CCSCCn1ccc([N+](=O)[O-])n1 ZINC000446121603 398312258 /nfs/dbraw/zinc/31/22/58/398312258.db2.gz LIBUUGCUIYJHGE-UHFFFAOYSA-N 0 0 241.316 2.491 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC2(C)COC2)c1 ZINC000228767147 398327042 /nfs/dbraw/zinc/32/70/42/398327042.db2.gz ASLOSCKQZIBZSP-UHFFFAOYSA-N 0 0 236.271 2.352 20 5 BEBDRN CC(=O)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000084775994 398327228 /nfs/dbraw/zinc/32/72/28/398327228.db2.gz HUVAYCJRKRPCSC-UHFFFAOYSA-N 0 0 231.211 2.101 20 5 BEBDRN Cc1ccc(NC(=O)NCC2CC2)cc1[N+](=O)[O-] ZINC000043148803 342935696 /nfs/dbraw/zinc/93/56/96/342935696.db2.gz ORAXMKDTJPRLNT-UHFFFAOYSA-N 0 0 249.270 2.435 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC1 ZINC000043149514 342935819 /nfs/dbraw/zinc/93/58/19/342935819.db2.gz BNEBWABGQGUVCN-UHFFFAOYSA-N 0 0 249.270 2.435 20 5 BEBDRN Cc1ccnc(NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000061859037 398344402 /nfs/dbraw/zinc/34/44/02/398344402.db2.gz GUTLHOQQQKGJIY-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1noc([C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000576858253 365705555 /nfs/dbraw/zinc/70/55/55/365705555.db2.gz AJSSFQYCCYVVEJ-SSDOTTSWSA-N 0 0 233.227 2.438 20 5 BEBDRN CC[C@@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000421576001 192355175 /nfs/dbraw/zinc/35/51/75/192355175.db2.gz BJHQAAYQFXTELK-SECBINFHSA-N 0 0 236.271 2.371 20 5 BEBDRN O=c1c(F)cc([N+](=O)[O-])cn1CCCCCF ZINC000576943086 365727952 /nfs/dbraw/zinc/72/79/52/365727952.db2.gz ZVRDCBFMLJVSAI-UHFFFAOYSA-N 0 0 246.213 2.035 20 5 BEBDRN O=C(NCC1CCC1)c1ccc([N+](=O)[O-])s1 ZINC000031441159 343219060 /nfs/dbraw/zinc/21/90/60/343219060.db2.gz XJQPVRAAFDIEJH-UHFFFAOYSA-N 0 0 240.284 2.186 20 5 BEBDRN Cc1cc(N2CC=CC2)ccc1[N+](=O)[O-] ZINC000238475959 343257228 /nfs/dbraw/zinc/25/72/28/343257228.db2.gz GPNQSWFWYQLSHQ-UHFFFAOYSA-N 0 0 204.229 2.279 20 5 BEBDRN CCCCN(CC)c1ccc(N)c([N+](=O)[O-])n1 ZINC000310149512 343306414 /nfs/dbraw/zinc/30/64/14/343306414.db2.gz OQQDLDVHMHMSQH-UHFFFAOYSA-N 0 0 238.291 2.198 20 5 BEBDRN C[C@@H]1C[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000047098274 343377807 /nfs/dbraw/zinc/37/78/07/343377807.db2.gz CHDNGJHLRJGZRV-BDAKNGLRSA-N 0 0 249.270 2.372 20 5 BEBDRN CC(=O)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000349144873 136324843 /nfs/dbraw/zinc/32/48/43/136324843.db2.gz QNMSNTLLEOWLGR-UHFFFAOYSA-N 0 0 245.238 2.047 20 5 BEBDRN CC[C@H](C)[C@H](C)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000310444422 343497560 /nfs/dbraw/zinc/49/75/60/343497560.db2.gz UAUQEVQRVVTIKH-YUMQZZPRSA-N 0 0 238.291 2.419 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)C ZINC000049376438 343596867 /nfs/dbraw/zinc/59/68/67/343596867.db2.gz UDZZVOFEDFBIGX-UHFFFAOYSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@@H]1C[C@H](C)N(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408469677 133502081 /nfs/dbraw/zinc/50/20/81/133502081.db2.gz PPYCOLLRWNVQGI-SFYZADRCSA-N 0 0 239.250 2.364 20 5 BEBDRN CCC1(C)CN(c2ccncc2[N+](=O)[O-])C1 ZINC000359954246 168454037 /nfs/dbraw/zinc/45/40/37/168454037.db2.gz LMQNUGJKHWETCP-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN CC(C)(C)CCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000584113087 343759520 /nfs/dbraw/zinc/75/95/20/343759520.db2.gz ZKHKENOZUOOSEY-UHFFFAOYSA-N 0 0 242.250 2.332 20 5 BEBDRN O=[N+]([O-])c1ccnn1Cc1cccc(F)c1F ZINC000334288611 343856148 /nfs/dbraw/zinc/85/61/48/343856148.db2.gz JDHYMSXEEQEZEF-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN C[C@@H]1CC[C@@H]1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000334187427 343833716 /nfs/dbraw/zinc/83/37/16/343833716.db2.gz GUOVYEAAAJSWFG-SCZZXKLOSA-N 0 0 234.255 2.123 20 5 BEBDRN O=C(Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000334220860 343838661 /nfs/dbraw/zinc/83/86/61/343838661.db2.gz VXZZDLIFWVFFRA-UHFFFAOYSA-N 0 0 249.201 2.314 20 5 BEBDRN CC1(C)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000334219417 343838739 /nfs/dbraw/zinc/83/87/39/343838739.db2.gz UNAKGDIACFTCSX-SNVBAGLBSA-N 0 0 234.255 2.123 20 5 BEBDRN Cc1c(C(=O)N[C@H]2CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000334237734 343842877 /nfs/dbraw/zinc/84/28/77/343842877.db2.gz SEZVFXQFYLVSCG-KCJUWKMLSA-N 0 0 248.282 2.432 20 5 BEBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]1C1CC1 ZINC000334527957 343891188 /nfs/dbraw/zinc/89/11/88/343891188.db2.gz SOBLEULRQWJAFE-LBPRGKRZSA-N 0 0 246.266 2.219 20 5 BEBDRN O=[N+]([O-])c1cnn(C[C@H]2CCCC2(F)F)c1 ZINC000334685626 343900816 /nfs/dbraw/zinc/90/08/16/343900816.db2.gz TYGURFFBBYIPOA-SSDOTTSWSA-N 0 0 231.202 2.227 20 5 BEBDRN Cc1cc(C(=O)N[C@H]2CC23CC3)cc([N+](=O)[O-])c1 ZINC000335140188 343953485 /nfs/dbraw/zinc/95/34/85/343953485.db2.gz ARNWUWMIUYWQQH-NSHDSACASA-N 0 0 246.266 2.186 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC12CC2 ZINC000335142282 343955259 /nfs/dbraw/zinc/95/52/59/343955259.db2.gz MSFXNUUPOZWAEN-NSHDSACASA-N 0 0 246.266 2.186 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1NCC(C)(F)F ZINC000558949432 344089303 /nfs/dbraw/zinc/08/93/03/344089303.db2.gz PCEWPLCTQDSCRM-UHFFFAOYSA-N 0 0 248.233 2.187 20 5 BEBDRN C[C@H]1OCCN(c2ccc([N+](=O)[O-])s2)[C@@H]1C ZINC000610808193 344155214 /nfs/dbraw/zinc/15/52/14/344155214.db2.gz WGLYZIUQGCFZIF-HTQZYQBOSA-N 0 0 242.300 2.270 20 5 BEBDRN Cc1cc(COc2ccccc2[N+](=O)[O-])nn1C ZINC000610856624 344158356 /nfs/dbraw/zinc/15/83/56/344158356.db2.gz ZTNWHQKZEJMEMY-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN CC[C@@H](O)CCCNc1ncc([N+](=O)[O-])s1 ZINC000310036923 344161573 /nfs/dbraw/zinc/16/15/73/344161573.db2.gz UQHJKHMGFNLBHG-SSDOTTSWSA-N 0 0 245.304 2.014 20 5 BEBDRN CC(C)C1CN(c2ncccc2[N+](=O)[O-])C1 ZINC000611078808 344245052 /nfs/dbraw/zinc/24/50/52/344245052.db2.gz ZVSPMLCJUFDPKW-UHFFFAOYSA-N 0 0 221.260 2.082 20 5 BEBDRN C[C@@H]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cn2)C1 ZINC000408219389 344254388 /nfs/dbraw/zinc/25/43/88/344254388.db2.gz MVRXSBMXNQAIOZ-RKDXNWHRSA-N 0 0 221.260 2.225 20 5 BEBDRN C[C@@H]1C[C@@H](C)N(c2ncccc2[N+](=O)[O-])C1 ZINC000408220792 344255276 /nfs/dbraw/zinc/25/52/76/344255276.db2.gz ZOSIUNJTNSAHAU-RKDXNWHRSA-N 0 0 221.260 2.225 20 5 BEBDRN CC1(C)CC(Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000600526069 344257666 /nfs/dbraw/zinc/25/76/66/344257666.db2.gz ZRLAXLZKHHLZLD-UHFFFAOYSA-N 0 0 236.271 2.193 20 5 BEBDRN C[C@@H](O)CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000310248377 344273035 /nfs/dbraw/zinc/27/30/35/344273035.db2.gz NLQVAAZNJBKCCP-ZCFIWIBFSA-N 0 0 246.213 2.325 20 5 BEBDRN O=[N+]([O-])c1ccc(Sc2ncc[nH]2)cc1 ZINC000034462446 344323621 /nfs/dbraw/zinc/32/36/21/344323621.db2.gz OIXNAMYKPDPLAR-UHFFFAOYSA-N 0 0 221.241 2.469 20 5 BEBDRN C[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C[C@H]1C ZINC000611227999 344325190 /nfs/dbraw/zinc/32/51/90/344325190.db2.gz XCTQZDOYGZQPKI-NXEZZACHSA-N 0 0 235.287 2.472 20 5 BEBDRN O=[N+]([O-])c1ncccc1NC[C@@H]1CCCS1 ZINC000158064330 344366887 /nfs/dbraw/zinc/36/68/87/344366887.db2.gz VXGFHYJAKNJHQS-QMMMGPOBSA-N 0 0 239.300 2.297 20 5 BEBDRN C[C@@H]1[C@@H](C)CCN1c1ncc(F)cc1[N+](=O)[O-] ZINC000601123992 344384658 /nfs/dbraw/zinc/38/46/58/344384658.db2.gz BADGKTZDCDQJFB-JGVFFNPUSA-N 0 0 239.250 2.364 20 5 BEBDRN CC[C@@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600886035 344386393 /nfs/dbraw/zinc/38/63/93/344386393.db2.gz JZTLWXCAIIXSIU-SSDOTTSWSA-N 0 0 240.234 2.262 20 5 BEBDRN Cc1ccc(Cn2ncc([N+](=O)[O-])c2N)c(C)c1 ZINC000043669387 178667849 /nfs/dbraw/zinc/66/78/49/178667849.db2.gz DLURTJZWZRTCET-UHFFFAOYSA-N 0 0 246.270 2.039 20 5 BEBDRN CC[C@@H](O)CCNc1c(F)cccc1[N+](=O)[O-] ZINC000288083962 344571460 /nfs/dbraw/zinc/57/14/60/344571460.db2.gz ZKXXSTDJPDJDKO-MRVPVSSYSA-N 0 0 242.250 2.307 20 5 BEBDRN COC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000047916722 344580505 /nfs/dbraw/zinc/58/05/05/344580505.db2.gz JNPDZHYDNQOYMZ-SSDOTTSWSA-N 0 0 241.268 2.248 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2cccc(O)c2)nc1 ZINC000048608498 344588649 /nfs/dbraw/zinc/58/86/49/344588649.db2.gz MAAISPIMTPBFJI-UHFFFAOYSA-N 0 0 245.238 2.308 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@@H]1F ZINC000611494063 344745196 /nfs/dbraw/zinc/74/51/96/344745196.db2.gz CFJSVNQXFMYHQR-SCZZXKLOSA-N 0 0 239.250 2.174 20 5 BEBDRN C[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C[C@@H]1F ZINC000611494494 344745276 /nfs/dbraw/zinc/74/52/76/344745276.db2.gz RXMLLQILVFTHFO-BDAKNGLRSA-N 0 0 239.250 2.174 20 5 BEBDRN O=[N+]([O-])c1sccc1N1CC=CCC1 ZINC000611509903 344747419 /nfs/dbraw/zinc/74/74/19/344747419.db2.gz HPTPIWSTZQXNCI-UHFFFAOYSA-N 0 0 210.258 2.423 20 5 BEBDRN Cc1cc(N[C@H]2C[C@@H](CO)C2)c([N+](=O)[O-])s1 ZINC000601211699 344701099 /nfs/dbraw/zinc/70/10/99/344701099.db2.gz JUFHJTNYFJXMLQ-OCAPTIKFSA-N 0 0 242.300 2.148 20 5 BEBDRN CO[C@H](CNc1ncccc1[N+](=O)[O-])C(C)C ZINC000075062417 344764156 /nfs/dbraw/zinc/76/41/56/344764156.db2.gz BGUMDPKAZQOTTB-SNVBAGLBSA-N 0 0 239.275 2.073 20 5 BEBDRN CC(C)N(C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611704191 344803098 /nfs/dbraw/zinc/80/30/98/344803098.db2.gz ZXDSPOQXFDOBLH-UHFFFAOYSA-N 0 0 246.270 2.383 20 5 BEBDRN C[C@H](O)C[C@H](C)CNc1ccc([N+](=O)[O-])cc1 ZINC000077228969 344819324 /nfs/dbraw/zinc/81/93/24/344819324.db2.gz MDRNGZKJLAPWTC-UWVGGRQHSA-N 0 0 238.287 2.414 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@@H]2O)c(F)c1 ZINC000077994292 344829253 /nfs/dbraw/zinc/82/92/53/344829253.db2.gz XNDKRUSGKDFRRI-QWRGUYRKSA-N 0 0 240.234 2.059 20 5 BEBDRN CC1(C)CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000612780649 344924759 /nfs/dbraw/zinc/92/47/59/344924759.db2.gz WMUMELMSLPYSQP-UHFFFAOYSA-N 0 0 236.275 2.011 20 5 BEBDRN Cn1c(-c2nc(C3CCC3)no2)ccc1[N+](=O)[O-] ZINC000612896996 344931222 /nfs/dbraw/zinc/93/12/22/344931222.db2.gz DTQJDQZGUKUKFZ-UHFFFAOYSA-N 0 0 248.242 2.251 20 5 BEBDRN Cc1noc([C@H](C)Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000247996950 345008782 /nfs/dbraw/zinc/00/87/82/345008782.db2.gz DIORTQLXTUKWGF-ZETCQYMHSA-N 0 0 249.226 2.426 20 5 BEBDRN CC1(F)CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000601245773 345032149 /nfs/dbraw/zinc/03/21/49/345032149.db2.gz KISIKQXSRXTGKD-UHFFFAOYSA-N 0 0 239.250 2.318 20 5 BEBDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1CCC1 ZINC000130035665 345266408 /nfs/dbraw/zinc/26/64/08/345266408.db2.gz ULNUPYIQHIDPDN-SSDOTTSWSA-N 0 0 238.243 2.106 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N1CCO[C@H](C)C1 ZINC000080542214 345292733 /nfs/dbraw/zinc/29/27/33/345292733.db2.gz WYQCAKFQBFCVNX-SNVBAGLBSA-N 0 0 236.271 2.128 20 5 BEBDRN COCC[C@@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000088508172 345541639 /nfs/dbraw/zinc/54/16/39/345541639.db2.gz JBTFYDSEBOCIPM-SECBINFHSA-N 0 0 225.244 2.399 20 5 BEBDRN COCC[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C ZINC000088508538 345541768 /nfs/dbraw/zinc/54/17/68/345541768.db2.gz QHFFOHJKZWJLSV-SSDOTTSWSA-N 0 0 227.264 2.006 20 5 BEBDRN CC(F)(F)CNCc1cccc([N+](=O)[O-])c1 ZINC000378806423 345575635 /nfs/dbraw/zinc/57/56/35/345575635.db2.gz YGTZYXZLESTFKQ-UHFFFAOYSA-N 0 0 230.214 2.340 20 5 BEBDRN CC[C@@H]1COCCN1c1ccc([N+](=O)[O-])cc1 ZINC000091483366 345594929 /nfs/dbraw/zinc/59/49/29/345594929.db2.gz PXTDXOHPDHYATE-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN Cc1ocnc1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000092689676 345635955 /nfs/dbraw/zinc/63/59/55/345635955.db2.gz ZXYFPTZYORVTDW-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1ocnc1CNc1ccc([N+](=O)[O-])c(C)n1 ZINC000092689679 345636095 /nfs/dbraw/zinc/63/60/95/345636095.db2.gz JAYDANBDIAOINS-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CCCCS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000142228742 345705337 /nfs/dbraw/zinc/70/53/37/345705337.db2.gz VNWLROPMNSQPNM-UHFFFAOYSA-N 0 0 243.284 2.169 20 5 BEBDRN Cc1cc(N2C3CCC2CC3)ncc1[N+](=O)[O-] ZINC000145929921 345712362 /nfs/dbraw/zinc/71/23/62/345712362.db2.gz MTAFSJNZGOGUJR-UHFFFAOYSA-N 0 0 233.271 2.429 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000088147525 178927150 /nfs/dbraw/zinc/92/71/50/178927150.db2.gz IFGJEIJJKZKJSJ-UHFFFAOYSA-N 0 0 234.255 2.139 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1CCCC2(CC2)C1 ZINC000613705201 345855783 /nfs/dbraw/zinc/85/57/83/345855783.db2.gz NUNABNPIWYGGNV-UHFFFAOYSA-N 0 0 233.271 2.370 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCCC3(CC3)C2)cn1 ZINC000613705397 345856086 /nfs/dbraw/zinc/85/60/86/345856086.db2.gz ZALASAICTISRDA-UHFFFAOYSA-N 0 0 233.271 2.370 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC[C@@H]2CCCO2)c1 ZINC000073170330 178929804 /nfs/dbraw/zinc/92/98/04/178929804.db2.gz ZABUVKSLFTXQLT-JTQLQIEISA-N 0 0 237.255 2.461 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC2)c2ncccc12 ZINC000141097982 345836685 /nfs/dbraw/zinc/83/66/85/345836685.db2.gz ZWEHVXHNGLPUDF-UHFFFAOYSA-N 0 0 229.239 2.353 20 5 BEBDRN Cc1nonc1COc1cc([N+](=O)[O-])ccc1C ZINC000265559344 178933729 /nfs/dbraw/zinc/93/37/29/178933729.db2.gz YCOQBNZHDKBDLO-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CC1(C)C[C@H]1Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401087096 346164370 /nfs/dbraw/zinc/16/43/70/346164370.db2.gz BOHMTDZEYRVKOY-MRVPVSSYSA-N 0 0 225.223 2.339 20 5 BEBDRN CS[C@H](C)CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401098879 346178576 /nfs/dbraw/zinc/17/85/76/346178576.db2.gz AWOQFCQEQVZWKQ-ZCFIWIBFSA-N 0 0 245.279 2.292 20 5 BEBDRN CC(C)CNc1ncc(F)cc1[N+](=O)[O-] ZINC000401090250 346174110 /nfs/dbraw/zinc/17/41/10/346174110.db2.gz FIDBSZGCDCGCJP-UHFFFAOYSA-N 0 0 213.212 2.197 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1NCCCCF ZINC000401119471 346213545 /nfs/dbraw/zinc/21/35/45/346213545.db2.gz BYJJXBLGJSEJTC-UHFFFAOYSA-N 0 0 231.202 2.291 20 5 BEBDRN CC[C@@H]1C[C@H]1Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401101108 346196192 /nfs/dbraw/zinc/19/61/92/346196192.db2.gz NOPMKJNIXHADNO-HTRCEHHLSA-N 0 0 225.223 2.339 20 5 BEBDRN Cc1cccc(C(=O)N2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000299679676 179011674 /nfs/dbraw/zinc/01/16/74/179011674.db2.gz SLQDFZSCIKNBGD-VIFPVBQESA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1cccc(C(=O)N[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000025772867 179023392 /nfs/dbraw/zinc/02/33/92/179023392.db2.gz ALFCFJNQUBMPSE-SECBINFHSA-N 0 0 248.282 2.432 20 5 BEBDRN CC(C)(C)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000216363042 346339062 /nfs/dbraw/zinc/33/90/62/346339062.db2.gz RVEKBPPOFBMRIL-UHFFFAOYSA-N 0 0 236.271 2.371 20 5 BEBDRN O=[N+]([O-])c1sccc1NCCC1CC(O)C1 ZINC000309550360 347100501 /nfs/dbraw/zinc/10/05/01/347100501.db2.gz FTHARCKDWQABKR-UHFFFAOYSA-N 0 0 242.300 2.229 20 5 BEBDRN CC[C@@H](O)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051608845 349974909 /nfs/dbraw/zinc/97/49/09/349974909.db2.gz TYNLXRJJMRPQOG-MRVPVSSYSA-N 0 0 245.662 2.398 20 5 BEBDRN C[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000589112947 346667440 /nfs/dbraw/zinc/66/74/40/346667440.db2.gz MMCBWBFJDZIVPY-ZETCQYMHSA-N 0 0 241.678 2.489 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1CC[C@H](C(F)F)C1 ZINC000588040776 346627826 /nfs/dbraw/zinc/62/78/26/346627826.db2.gz PCKWTLRTXCNILB-ZETCQYMHSA-N 0 0 243.213 2.081 20 5 BEBDRN Cc1nn(Cc2cccnc2C)c(C)c1[N+](=O)[O-] ZINC000589254055 346678012 /nfs/dbraw/zinc/67/80/12/346678012.db2.gz UYXABIWSDQVRKG-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN Cc1cnc(N2CC(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000589695353 346727509 /nfs/dbraw/zinc/72/75/09/346727509.db2.gz DBSYAWVCWWYLNJ-UHFFFAOYSA-N 0 0 233.271 2.144 20 5 BEBDRN Cc1ccc(F)cc1Cn1cnc([N+](=O)[O-])c1 ZINC000188176339 346793988 /nfs/dbraw/zinc/79/39/88/346793988.db2.gz RDUABPDFPUIVDO-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN Cc1cccc(OCCC(C)(C)O)c1[N+](=O)[O-] ZINC000092800636 179164687 /nfs/dbraw/zinc/16/46/87/179164687.db2.gz ZIWJYEWAKNEBKU-UHFFFAOYSA-N 0 0 239.271 2.443 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CC[C@H](O)CC2)s1 ZINC000310000457 347215829 /nfs/dbraw/zinc/21/58/29/347215829.db2.gz DPKCFKZHISQBRS-ZKCHVHJHSA-N 0 0 242.300 2.372 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCCC(C)(C)O ZINC000274771452 179206701 /nfs/dbraw/zinc/20/67/01/179206701.db2.gz MSNFNSWTJCBKNX-UHFFFAOYSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C)C1 ZINC000278144240 179207010 /nfs/dbraw/zinc/20/70/10/179207010.db2.gz NSOABBCHUSJISX-VIFPVBQESA-N 0 0 248.282 2.385 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@@H]3CCC[C@@H]32)cn1 ZINC000590698411 347492584 /nfs/dbraw/zinc/49/25/84/347492584.db2.gz MVZIIXTWCQLGQA-ONGXEEELSA-N 0 0 233.271 2.369 20 5 BEBDRN CCOC1(C)CN(c2sccc2[N+](=O)[O-])C1 ZINC000590706145 347498158 /nfs/dbraw/zinc/49/81/58/347498158.db2.gz HPEMDRSENSDHAU-UHFFFAOYSA-N 0 0 242.300 2.272 20 5 BEBDRN O=[N+]([O-])c1sccc1N[C@H]1CC[C@@H](CO)C1 ZINC000590711464 347498601 /nfs/dbraw/zinc/49/86/01/347498601.db2.gz LUIKCMPKVFXNAN-SFYZADRCSA-N 0 0 242.300 2.229 20 5 BEBDRN CO[C@H](C)CN(C)c1ccc([N+](=O)[O-])cc1 ZINC000196483152 347507530 /nfs/dbraw/zinc/50/75/30/347507530.db2.gz LWNDLHXLCICYFF-SECBINFHSA-N 0 0 224.260 2.066 20 5 BEBDRN CCSCCOc1ncc(C)cc1[N+](=O)[O-] ZINC000176706554 365887509 /nfs/dbraw/zinc/88/75/09/365887509.db2.gz QPQPUGFJTGUZNW-UHFFFAOYSA-N 0 0 242.300 2.430 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H](O)C2CCC2)s1 ZINC000590736932 347501653 /nfs/dbraw/zinc/50/16/53/347501653.db2.gz WJVVZXSKFZYMQK-MRVPVSSYSA-N 0 0 242.300 2.229 20 5 BEBDRN Cc1nnc(CNc2ccc([N+](=O)[O-])cc2C)o1 ZINC000590797557 347554832 /nfs/dbraw/zinc/55/48/32/347554832.db2.gz BDYKGXAPXKVVCR-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])c1cnccc1N1CC[C@H](C2CC2)C1 ZINC000343422717 133679502 /nfs/dbraw/zinc/67/95/02/133679502.db2.gz GCXFEGQJUYPAQM-JTQLQIEISA-N 0 0 233.271 2.226 20 5 BEBDRN CC[C@H](C)N(C)c1ncc([N+](=O)[O-])cc1F ZINC000591149592 347621225 /nfs/dbraw/zinc/62/12/25/347621225.db2.gz LJLBLLBLWKWRCR-ZETCQYMHSA-N 0 0 227.239 2.364 20 5 BEBDRN CC(C)[C@@H]1C[C@H]1Nc1cccnc1[N+](=O)[O-] ZINC000591179602 347625744 /nfs/dbraw/zinc/62/57/44/347625744.db2.gz METVRMCGXRKYIU-WCBMZHEXSA-N 0 0 221.260 2.446 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000591160404 347627293 /nfs/dbraw/zinc/62/72/93/347627293.db2.gz LWLYHQTWVXUQHB-XCBNKYQSSA-N 0 0 237.234 2.118 20 5 BEBDRN CCC1(C)CN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000591162991 347627969 /nfs/dbraw/zinc/62/79/69/347627969.db2.gz VWCQURIXIDEKRT-UHFFFAOYSA-N 0 0 239.250 2.365 20 5 BEBDRN COC1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000591245208 347633630 /nfs/dbraw/zinc/63/36/30/347633630.db2.gz RODHPYSLUZMTJL-UHFFFAOYSA-N 0 0 223.228 2.151 20 5 BEBDRN C[C@@H]1CN(c2cccnc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000591368971 347654738 /nfs/dbraw/zinc/65/47/38/347654738.db2.gz CEOXZUBQTWYRRI-UTLUCORTSA-N 0 0 235.287 2.471 20 5 BEBDRN C[C@H]1CCN1c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000591900483 347714019 /nfs/dbraw/zinc/71/40/19/347714019.db2.gz GQCABSXHTAUEIG-VIFPVBQESA-N 0 0 247.298 2.467 20 5 BEBDRN CCCCn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000592349885 347766863 /nfs/dbraw/zinc/76/68/63/347766863.db2.gz JRSGSIWBIJBFRG-UHFFFAOYSA-N 0 0 236.227 2.303 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CC1=CCCC1 ZINC000592345479 347769498 /nfs/dbraw/zinc/76/94/98/347769498.db2.gz WXYKHRJZWSBEQZ-UHFFFAOYSA-N 0 0 207.233 2.210 20 5 BEBDRN Cc1cn(CC2=CCCC2)nc1[N+](=O)[O-] ZINC000592357451 347772494 /nfs/dbraw/zinc/77/24/94/347772494.db2.gz DVOGNLINQPIDBO-UHFFFAOYSA-N 0 0 207.233 2.210 20 5 BEBDRN CC(C)(C)OCCNc1ccc([N+](=O)[O-])nc1 ZINC000308524922 347802744 /nfs/dbraw/zinc/80/27/44/347802744.db2.gz COIOVGBJSSOFCN-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN CC(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000200029389 347786429 /nfs/dbraw/zinc/78/64/29/347786429.db2.gz YQHHKDWSPVHRDJ-VIFPVBQESA-N 0 0 236.271 2.428 20 5 BEBDRN CC1(NC(=O)c2ccccc2[N+](=O)[O-])CC=CC1 ZINC000594073274 347998891 /nfs/dbraw/zinc/99/88/91/347998891.db2.gz QWVVXKHYKSYYKB-UHFFFAOYSA-N 0 0 246.266 2.433 20 5 BEBDRN CC(=O)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000196779269 348023126 /nfs/dbraw/zinc/02/31/26/348023126.db2.gz BEQQFQIQGXVYEB-ZETCQYMHSA-N 0 0 209.201 2.219 20 5 BEBDRN CC[C@@H](CC(F)F)Cn1cnc([N+](=O)[O-])c1 ZINC000594885666 348121162 /nfs/dbraw/zinc/12/11/62/348121162.db2.gz LZNRDVOSINTFFK-ZETCQYMHSA-N 0 0 233.218 2.473 20 5 BEBDRN CCC(CC)Cn1cccc([N+](=O)[O-])c1=O ZINC000594887522 348121767 /nfs/dbraw/zinc/12/17/67/348121767.db2.gz MVSNVJLAQCUURH-UHFFFAOYSA-N 0 0 224.260 2.193 20 5 BEBDRN O=[N+]([O-])c1cnn(C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000594889047 348122390 /nfs/dbraw/zinc/12/23/90/348122390.db2.gz HVMTXZCRLKUAPO-KXUCPTDWSA-N 0 0 221.260 2.228 20 5 BEBDRN Cc1nn([C@@H]2COC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000594901685 348133438 /nfs/dbraw/zinc/13/34/38/348133438.db2.gz LIISVDLHNJLCRQ-VIFPVBQESA-N 0 0 239.275 2.148 20 5 BEBDRN Cc1nn(CC2CC=CC2)c(C)c1[N+](=O)[O-] ZINC000594902966 348134014 /nfs/dbraw/zinc/13/40/14/348134014.db2.gz WVLBEPLZYNHKMB-UHFFFAOYSA-N 0 0 221.260 2.374 20 5 BEBDRN Cc1nn(CC2CC=CC2)cc1[N+](=O)[O-] ZINC000594897563 348130259 /nfs/dbraw/zinc/13/02/59/348130259.db2.gz OGYLZPYDXITXOK-UHFFFAOYSA-N 0 0 207.233 2.066 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1CN1CCCC1 ZINC000595290484 348213357 /nfs/dbraw/zinc/21/33/57/348213357.db2.gz CRAJGKMXBSDHSV-UHFFFAOYSA-N 0 0 224.235 2.330 20 5 BEBDRN Cc1noc(CN2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000595290840 348214101 /nfs/dbraw/zinc/21/41/01/348214101.db2.gz DVFGIPPTHULSBS-QMMMGPOBSA-N 0 0 239.275 2.266 20 5 BEBDRN Cc1cccc(OCc2ccon2)c1[N+](=O)[O-] ZINC000123961215 187394256 /nfs/dbraw/zinc/39/42/56/187394256.db2.gz XJTRCLSKKIWRDZ-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN Cc1cc(N2C[C@@H](C)[C@@H]2C)ncc1[N+](=O)[O-] ZINC000596247355 348486929 /nfs/dbraw/zinc/48/69/29/348486929.db2.gz KHWKCTPQLJDBGP-BDAKNGLRSA-N 0 0 221.260 2.143 20 5 BEBDRN Cc1cc(N2C[C@H](C)[C@H]2C)ncc1[N+](=O)[O-] ZINC000596247358 348486979 /nfs/dbraw/zinc/48/69/79/348486979.db2.gz KHWKCTPQLJDBGP-DTWKUNHWSA-N 0 0 221.260 2.143 20 5 BEBDRN O=c1[nH]ccc(N2C[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000596295059 348489762 /nfs/dbraw/zinc/48/97/62/348489762.db2.gz OJCLNJJETYHEDG-IUCAKERBSA-N 0 0 249.270 2.074 20 5 BEBDRN O=c1[nH]ccc(N[C@H]2CC=CCC2)c1[N+](=O)[O-] ZINC000596137816 348448547 /nfs/dbraw/zinc/44/85/47/348448547.db2.gz XFGRDOZZWQKCHP-QMMMGPOBSA-N 0 0 235.243 2.216 20 5 BEBDRN COC1(C)CN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596176363 348462344 /nfs/dbraw/zinc/46/23/44/348462344.db2.gz DXHXZEJQNVOREO-UHFFFAOYSA-N 0 0 242.300 2.190 20 5 BEBDRN CC1(F)CN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596221939 348470242 /nfs/dbraw/zinc/47/02/42/348470242.db2.gz HGCGDPDETBTZTJ-UHFFFAOYSA-N 0 0 245.641 2.191 20 5 BEBDRN CC1(CCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596224120 348470619 /nfs/dbraw/zinc/47/06/19/348470619.db2.gz WASNIXREHHQMDF-UHFFFAOYSA-N 0 0 237.259 2.298 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000596247646 348471854 /nfs/dbraw/zinc/47/18/54/348471854.db2.gz KLYJWYXYQSXQMB-NKWVEPMBSA-N 0 0 241.678 2.488 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1C[C@@H](C)[C@@H]1C ZINC000596250927 348473770 /nfs/dbraw/zinc/47/37/70/348473770.db2.gz WGPUJGVWKQKYNV-BDAKNGLRSA-N 0 0 221.260 2.143 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@@H]1C(F)F ZINC000596251923 348474034 /nfs/dbraw/zinc/47/40/34/348474034.db2.gz ZOOIIDAXRVEQRA-SECBINFHSA-N 0 0 228.198 2.439 20 5 BEBDRN Cc1cnc(N2C[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000596251541 348474183 /nfs/dbraw/zinc/47/41/83/348474183.db2.gz XJEXVFDSWKYWMY-RKDXNWHRSA-N 0 0 221.260 2.143 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(=O)n1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000596270157 348481026 /nfs/dbraw/zinc/48/10/26/348481026.db2.gz JOXMEZCHZWROFS-JGPRNRPPSA-N 0 0 248.282 2.111 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@]23C[C@@H]2CCC3)s1 ZINC000596316878 348505436 /nfs/dbraw/zinc/50/54/36/348505436.db2.gz NWXHUGQHDRVYIO-RCOVLWMOSA-N 0 0 225.273 2.406 20 5 BEBDRN CC[C@@H](C)N(CC)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596442159 348549422 /nfs/dbraw/zinc/54/94/22/348549422.db2.gz IUMIJLKBUZWIPS-MRVPVSSYSA-N 0 0 239.275 2.184 20 5 BEBDRN Cc1nn(C)cc1-c1cnc(C)c([N+](=O)[O-])c1 ZINC000596631448 348597634 /nfs/dbraw/zinc/59/76/34/348597634.db2.gz PACUWPWJMCQKQL-UHFFFAOYSA-N 0 0 232.243 2.007 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@H]3C[C@H]32)nc1 ZINC000596472922 348553238 /nfs/dbraw/zinc/55/32/38/348553238.db2.gz GHHDHBJSLGVEEZ-JBLDHEPKSA-N 0 0 247.298 2.260 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NCCC(C)(C)F ZINC000596469015 348562744 /nfs/dbraw/zinc/56/27/44/348562744.db2.gz SLLFPOIBUCABHW-UHFFFAOYSA-N 0 0 241.266 2.270 20 5 BEBDRN Cc1nc(N2CC[C@@H]3C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000596508163 348571498 /nfs/dbraw/zinc/57/14/98/348571498.db2.gz BJKKBMGOABYKLX-NXEZZACHSA-N 0 0 233.271 2.144 20 5 BEBDRN C[C@@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])CO1 ZINC000401895959 348609336 /nfs/dbraw/zinc/60/93/36/348609336.db2.gz XAXSKDDYHMBUJZ-RKDXNWHRSA-N 0 0 222.244 2.184 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000596512175 348573650 /nfs/dbraw/zinc/57/36/50/348573650.db2.gz RJGYFELJCSNRCT-NWDGAFQWSA-N 0 0 248.282 2.310 20 5 BEBDRN Cc1cnc(N2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000596513076 348574604 /nfs/dbraw/zinc/57/46/04/348574604.db2.gz YSPHRQJTKSXMKV-UWVGGRQHSA-N 0 0 233.271 2.144 20 5 BEBDRN Cc1cc(N2CC[C@H]3C[C@H]3C2)ncc1[N+](=O)[O-] ZINC000596513124 348574672 /nfs/dbraw/zinc/57/46/72/348574672.db2.gz ZLCNZDREBWEBLC-UWVGGRQHSA-N 0 0 233.271 2.144 20 5 BEBDRN Cc1ccc(N[C@@H]2CO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000401902015 348651046 /nfs/dbraw/zinc/65/10/46/348651046.db2.gz FVASMFUMEGWDTQ-ZJUUUORDSA-N 0 0 236.271 2.493 20 5 BEBDRN CCCC[C@@H](C)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000290852489 348654255 /nfs/dbraw/zinc/65/42/55/348654255.db2.gz PWICUDHJJVNAMJ-SECBINFHSA-N 0 0 238.291 2.400 20 5 BEBDRN Cc1cnc(CNc2ncc([N+](=O)[O-])cc2C)o1 ZINC000092662875 179613321 /nfs/dbraw/zinc/61/33/21/179613321.db2.gz BXSJWSKMQYJMFC-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1cnc([C@H](C)Oc2cccnc2[N+](=O)[O-])o1 ZINC000356182187 179655800 /nfs/dbraw/zinc/65/58/00/179655800.db2.gz VFZXFOHTFITWLN-QMMMGPOBSA-N 0 0 249.226 2.426 20 5 BEBDRN O=C(N[C@]12C[C@H]1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000597884648 348833321 /nfs/dbraw/zinc/83/33/21/348833321.db2.gz PMKTXYDVTIAHJO-ZWNOBZJWSA-N 0 0 246.266 2.267 20 5 BEBDRN CC[C@H](C)CCNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597975758 348858223 /nfs/dbraw/zinc/85/82/23/348858223.db2.gz NCSDPOBYFCPARH-QMMMGPOBSA-N 0 0 239.275 2.089 20 5 BEBDRN C[C@@H]1CC[C@@H](C)N1c1ncc([N+](=O)[O-])s1 ZINC000192486826 490214949 /nfs/dbraw/zinc/21/49/49/490214949.db2.gz WIJWMTPHVGGBJB-RNFRBKRXSA-N 0 0 227.289 2.429 20 5 BEBDRN CN(C(=O)CCCF)c1ccc([N+](=O)[O-])cc1 ZINC000598804132 349046587 /nfs/dbraw/zinc/04/65/87/349046587.db2.gz STDOUNODOOSGFE-UHFFFAOYSA-N 0 0 240.234 2.307 20 5 BEBDRN CC1CC(CNc2ccc([N+](=O)[O-])nc2)C1 ZINC000598643623 349008406 /nfs/dbraw/zinc/00/84/06/349008406.db2.gz PVTHPKDPDFRMTO-UHFFFAOYSA-N 0 0 221.260 2.448 20 5 BEBDRN O=[N+]([O-])c1cccnc1NCC[C@H]1CC1(F)F ZINC000598636766 349014884 /nfs/dbraw/zinc/01/48/84/349014884.db2.gz HZXIUXIZDWUETQ-ZETCQYMHSA-N 0 0 243.213 2.447 20 5 BEBDRN CCCC[C@H](C)N(C)c1c([N+](=O)[O-])ncn1C ZINC000290886679 349035011 /nfs/dbraw/zinc/03/50/11/349035011.db2.gz SUDGCSKQSFDXFE-VIFPVBQESA-N 0 0 240.307 2.343 20 5 BEBDRN Cc1cc(NC[C@H]2C[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599175299 349112769 /nfs/dbraw/zinc/11/27/69/349112769.db2.gz YKOZZIIUROYEPT-JGZJWPJOSA-N 0 0 236.271 2.086 20 5 BEBDRN CO[C@H]1C[C@H](Nc2sccc2[N+](=O)[O-])C1 ZINC000599189840 349114719 /nfs/dbraw/zinc/11/47/19/349114719.db2.gz OAMDLHSSIMGEJH-LJGSYFOKSA-N 0 0 228.273 2.246 20 5 BEBDRN CC(C)(CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000035113045 190973780 /nfs/dbraw/zinc/97/37/80/190973780.db2.gz STBYNAVHDKYGSN-UHFFFAOYSA-N 0 0 244.678 2.431 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC[C@H]1C[C@@H](O)C1 ZINC000421843351 192391993 /nfs/dbraw/zinc/39/19/93/192391993.db2.gz MOBZLVFBPLUYPK-JGZJWPJOSA-N 0 0 237.255 2.053 20 5 BEBDRN O=[N+]([O-])c1ccsc1N[C@H]1CCCOC1 ZINC000308937201 349169211 /nfs/dbraw/zinc/16/92/11/349169211.db2.gz OLKGZCISULULHK-ZETCQYMHSA-N 0 0 228.273 2.247 20 5 BEBDRN CC(C)(F)CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000601689463 350007335 /nfs/dbraw/zinc/00/73/35/350007335.db2.gz VIJFWUGCVZTSSI-UHFFFAOYSA-N 0 0 240.234 2.073 20 5 BEBDRN CC(C)CCN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000604094457 350077608 /nfs/dbraw/zinc/07/76/08/350077608.db2.gz IRTTYQHFDNSUMD-UHFFFAOYSA-N 0 0 239.275 2.041 20 5 BEBDRN CC[C@@H](O)COc1cc(C)c([N+](=O)[O-])cc1C ZINC000062998409 350108128 /nfs/dbraw/zinc/10/81/28/350108128.db2.gz UKHDSVGYNUVWDW-SNVBAGLBSA-N 0 0 239.271 2.361 20 5 BEBDRN Cc1nc(N2C[C@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268535186 180004243 /nfs/dbraw/zinc/00/42/43/180004243.db2.gz XYOIXMAHPMELPN-IUCAKERBSA-N 0 0 235.287 2.390 20 5 BEBDRN Cc1nc(NC(=O)CC2CC2)ccc1[N+](=O)[O-] ZINC000133950008 180007139 /nfs/dbraw/zinc/00/71/39/180007139.db2.gz ISQQWVHWWUEZNL-UHFFFAOYSA-N 0 0 235.243 2.037 20 5 BEBDRN Cc1nc(NC2CCCC2)ncc1[N+](=O)[O-] ZINC000295255352 180015386 /nfs/dbraw/zinc/01/53/86/180015386.db2.gz HBSWRHXYIISPQL-UHFFFAOYSA-N 0 0 222.248 2.048 20 5 BEBDRN Cc1nc(NC2CCCCC2)ncc1[N+](=O)[O-] ZINC000294800895 180015927 /nfs/dbraw/zinc/01/59/27/180015927.db2.gz AAKQFQTYIQJYEP-UHFFFAOYSA-N 0 0 236.275 2.438 20 5 BEBDRN Cc1nc(NCc2ccncc2)ccc1[N+](=O)[O-] ZINC000161667543 180020664 /nfs/dbraw/zinc/02/06/64/180020664.db2.gz MVBHDBGZBUFUNC-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1nc(N[C@@H](C)CF)ccc1[N+](=O)[O-] ZINC000288271504 180022070 /nfs/dbraw/zinc/02/20/70/180022070.db2.gz QHLNSKJAHRDSEZ-LURJTMIESA-N 0 0 213.212 2.068 20 5 BEBDRN Cc1nc(N[C@@H]2CCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000297084013 180023041 /nfs/dbraw/zinc/02/30/41/180023041.db2.gz KAZPCBNBNYYHAG-IONNQARKSA-N 0 0 236.275 2.294 20 5 BEBDRN Cc1cc(C(=O)N2CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000604397743 350123496 /nfs/dbraw/zinc/12/34/96/350123496.db2.gz GNVBZNWPZVOGAE-SECBINFHSA-N 0 0 234.255 2.138 20 5 BEBDRN Cc1nn(Cc2ncc(C3CC3)o2)cc1[N+](=O)[O-] ZINC000272324184 180392586 /nfs/dbraw/zinc/39/25/86/180392586.db2.gz BSNMOHYFYRVVTE-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN Cc1nnc(-c2cc([N+](=O)[O-])ccc2F)o1 ZINC000040350718 180394215 /nfs/dbraw/zinc/39/42/15/180394215.db2.gz IPNOCOFWVGFLHR-UHFFFAOYSA-N 0 0 223.163 2.092 20 5 BEBDRN Cc1nn(CC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000295304738 180386376 /nfs/dbraw/zinc/38/63/76/180386376.db2.gz KISIMXZYJVPEFQ-UHFFFAOYSA-N 0 0 231.202 2.145 20 5 BEBDRN Cc1nn(CC2CCC2)c(C)c1[N+](=O)[O-] ZINC000172896660 180386632 /nfs/dbraw/zinc/38/66/32/180386632.db2.gz WJOWFNFCLGHMFC-UHFFFAOYSA-N 0 0 209.249 2.208 20 5 BEBDRN Cc1nn(CC[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000352351334 180389718 /nfs/dbraw/zinc/38/97/18/180389718.db2.gz XMCIKMSCSGGBDU-JTQLQIEISA-N 0 0 239.275 2.059 20 5 BEBDRN CC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC000384850770 350602028 /nfs/dbraw/zinc/60/20/28/350602028.db2.gz BMXGUCRZZQRHDD-ARJAWSKDSA-N 0 0 207.233 2.368 20 5 BEBDRN Cc1noc(/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000356950997 180460328 /nfs/dbraw/zinc/46/03/28/180460328.db2.gz BCQPAOVWAYCXBT-SREVYHEPSA-N 0 0 231.211 2.457 20 5 BEBDRN CCCC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000005819626 350926091 /nfs/dbraw/zinc/92/60/91/350926091.db2.gz HEZSMLGZPUJFQL-UHFFFAOYSA-N 0 0 223.228 2.438 20 5 BEBDRN O=[N+]([O-])c1ncccc1N[C@@H]1CCCSC1 ZINC000129209251 351010336 /nfs/dbraw/zinc/01/03/36/351010336.db2.gz DFMKNGHVXRWEFY-MRVPVSSYSA-N 0 0 239.300 2.297 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CCC12CCC2 ZINC000343871396 351001402 /nfs/dbraw/zinc/00/14/02/351001402.db2.gz AQXBXXSBGKXTNI-UHFFFAOYSA-N 0 0 219.244 2.123 20 5 BEBDRN C[C@@H]1CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000343985428 351006326 /nfs/dbraw/zinc/00/63/26/351006326.db2.gz NZEQNZVVKXFEQK-SKDRFNHKSA-N 0 0 248.282 2.052 20 5 BEBDRN CN(C(=O)C1=CCCC1)c1ccc([N+](=O)[O-])nc1 ZINC000344195825 351016759 /nfs/dbraw/zinc/01/67/59/351016759.db2.gz DFVAKYNHMFTDES-UHFFFAOYSA-N 0 0 247.254 2.063 20 5 BEBDRN O=[N+]([O-])c1ncccc1N[C@H]1CCCSC1 ZINC000129209472 351010601 /nfs/dbraw/zinc/01/06/01/351010601.db2.gz DFMKNGHVXRWEFY-QMMMGPOBSA-N 0 0 239.300 2.297 20 5 BEBDRN O=[N+]([O-])c1ccc(Oc2cccnc2)cn1 ZINC000344427112 351126646 /nfs/dbraw/zinc/12/66/46/351126646.db2.gz DYKJLKRIJMCBFK-UHFFFAOYSA-N 0 0 217.184 2.177 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCC(F)(F)F)cn1 ZINC000063100538 351123331 /nfs/dbraw/zinc/12/33/31/351123331.db2.gz KAARQIOTRVHHCN-UHFFFAOYSA-N 0 0 235.165 2.354 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])nc1)C1CCCC1 ZINC000344444487 351127905 /nfs/dbraw/zinc/12/79/05/351127905.db2.gz YOJZNNSIXUPTEW-UHFFFAOYSA-N 0 0 221.260 2.369 20 5 BEBDRN CCC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000063447034 351366824 /nfs/dbraw/zinc/36/68/24/351366824.db2.gz PQJPSZBNETVZGA-UHFFFAOYSA-N 0 0 212.180 2.082 20 5 BEBDRN COc1ccc(OC[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000190196185 187487025 /nfs/dbraw/zinc/48/70/25/187487025.db2.gz YJHGVOCDAISLKV-MRVPVSSYSA-N 0 0 241.243 2.017 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1N[C@H]1CC12CCCC2 ZINC000386849768 363053111 /nfs/dbraw/zinc/05/31/11/363053111.db2.gz AQUBFIOWNSTNBC-QMMMGPOBSA-N 0 0 236.275 2.073 20 5 BEBDRN CC(C)C(C)(C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000572184761 323560843 /nfs/dbraw/zinc/56/08/43/323560843.db2.gz LOPRMOYPNOCVJX-UHFFFAOYSA-N 0 0 239.275 2.087 20 5 BEBDRN CC1(c2noc(-c3ccc([N+](=O)[O-])cn3)n2)CC1 ZINC000577699328 366037971 /nfs/dbraw/zinc/03/79/71/366037971.db2.gz ZOCCNDLJJXJLCS-UHFFFAOYSA-N 0 0 246.226 2.091 20 5 BEBDRN CC(C)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000337482715 187497566 /nfs/dbraw/zinc/49/75/66/187497566.db2.gz ZWOWXEFQMGCHEM-UHFFFAOYSA-N 0 0 225.244 2.122 20 5 BEBDRN Cn1cc(Nc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000035781658 180661587 /nfs/dbraw/zinc/66/15/87/180661587.db2.gz ODIYHYVLYQWYER-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN CCCCCCNc1c([N+](=O)[O-])ncn1C ZINC000008308797 168670154 /nfs/dbraw/zinc/67/01/54/168670154.db2.gz YSJHRHZUPIUDLF-UHFFFAOYSA-N 0 0 226.280 2.321 20 5 BEBDRN Cc1ccc(OCC[C@@H](C)O)cc1[N+](=O)[O-] ZINC000300835417 187824059 /nfs/dbraw/zinc/82/40/59/187824059.db2.gz DEOVJFCXSQAFNZ-SECBINFHSA-N 0 0 225.244 2.053 20 5 BEBDRN C[C@@H]1OCC[C@H]1Sc1ccncc1[N+](=O)[O-] ZINC000361076313 188070671 /nfs/dbraw/zinc/07/06/71/188070671.db2.gz XNLLUERZADPWAT-IONNQARKSA-N 0 0 240.284 2.259 20 5 BEBDRN C[C@@H](O)CCCOc1ccccc1[N+](=O)[O-] ZINC000143176008 353155720 /nfs/dbraw/zinc/15/57/20/353155720.db2.gz VPZLRADPWASSRP-SECBINFHSA-N 0 0 225.244 2.135 20 5 BEBDRN CC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000125053227 188083729 /nfs/dbraw/zinc/08/37/29/188083729.db2.gz LBLZEMTYFCJXFX-UHFFFAOYSA-N 0 0 234.255 2.011 20 5 BEBDRN C[C@@H](O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000134045153 353157288 /nfs/dbraw/zinc/15/72/88/353157288.db2.gz BMQNQSWORVMXTE-SSDOTTSWSA-N 0 0 245.662 2.398 20 5 BEBDRN CC1(C)SC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000282000956 188095730 /nfs/dbraw/zinc/09/57/30/188095730.db2.gz UGGRIJFZHHFRMK-YFKPBYRVSA-N 0 0 245.329 2.357 20 5 BEBDRN CC1(C)C[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000048553648 188153043 /nfs/dbraw/zinc/15/30/43/188153043.db2.gz ZZDUTBYVBSYGQU-QMMMGPOBSA-N 0 0 207.233 2.200 20 5 BEBDRN CC(C)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000264919701 188194093 /nfs/dbraw/zinc/19/40/93/188194093.db2.gz LYVXERIHOPWAIC-UHFFFAOYSA-N 0 0 239.231 2.348 20 5 BEBDRN C[C@@H]1OCC[C@H]1Sc1ccc([N+](=O)[O-])cn1 ZINC000269978812 188198430 /nfs/dbraw/zinc/19/84/30/188198430.db2.gz ZSRGTRHATMTALG-IONNQARKSA-N 0 0 240.284 2.259 20 5 BEBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000294281522 188212638 /nfs/dbraw/zinc/21/26/38/188212638.db2.gz UIWVXGJQSRECPI-BDAKNGLRSA-N 0 0 234.255 2.075 20 5 BEBDRN C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000294052445 188212884 /nfs/dbraw/zinc/21/28/84/188212884.db2.gz KOVRZDVHLOCOOC-BDAKNGLRSA-N 0 0 234.255 2.075 20 5 BEBDRN C[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178457160 366125833 /nfs/dbraw/zinc/12/58/33/366125833.db2.gz IAMIEDFDKNTKGY-VIFPVBQESA-N 0 0 248.282 2.257 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H](C3CC3)C2)cn1 ZINC000343465826 353897245 /nfs/dbraw/zinc/89/72/45/353897245.db2.gz MSLUYQOYONEWNI-JTQLQIEISA-N 0 0 233.271 2.226 20 5 BEBDRN C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000294065365 188570519 /nfs/dbraw/zinc/57/05/19/188570519.db2.gz LEYINSOIYUKUER-BDAKNGLRSA-N 0 0 234.255 2.075 20 5 BEBDRN CC1(C)CCC[C@H](n2nccc2[N+](=O)[O-])C1=O ZINC000412996236 191332156 /nfs/dbraw/zinc/33/21/56/191332156.db2.gz UEGVZZUKWJJKEC-QMMMGPOBSA-N 0 0 237.259 2.112 20 5 BEBDRN Cc1nn(CC(C)(C)O)c2ccc([N+](=O)[O-])cc12 ZINC000412995807 191332801 /nfs/dbraw/zinc/33/28/01/191332801.db2.gz DILGONFXFQOVSR-UHFFFAOYSA-N 0 0 249.270 2.024 20 5 BEBDRN Cc1c(C(=O)NC[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000032394076 355223381 /nfs/dbraw/zinc/22/33/81/355223381.db2.gz WXPYBOIUYSTFRE-WCBMZHEXSA-N 0 0 248.282 2.289 20 5 BEBDRN CCC[C@@H](O)CSc1ccc([N+](=O)[O-])cn1 ZINC000413000937 191336268 /nfs/dbraw/zinc/33/62/68/191336268.db2.gz OMHMYIAJKPQZIE-SECBINFHSA-N 0 0 242.300 2.243 20 5 BEBDRN CC/C=C/CCn1c(C)c([N+](=O)[O-])ccc1=O ZINC000413006544 191337844 /nfs/dbraw/zinc/33/78/44/191337844.db2.gz ZVNZDBCHMVUYJL-SNAWJCMRSA-N 0 0 236.271 2.421 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCC2CC2)c(F)c1 ZINC000413173017 191361080 /nfs/dbraw/zinc/36/10/80/191361080.db2.gz RQFCVMSUTBMLMM-UHFFFAOYSA-N 0 0 225.223 2.341 20 5 BEBDRN C[C@H]1C[C@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413054254 191351388 /nfs/dbraw/zinc/35/13/88/191351388.db2.gz NDUFNZKXMJVSGT-BQBZGAKWSA-N 0 0 225.223 2.197 20 5 BEBDRN O=[N+]([O-])c1ccc(SCCO)c(Cl)c1 ZINC000035082339 355795817 /nfs/dbraw/zinc/79/58/17/355795817.db2.gz DOXNAEJCBYTQAW-UHFFFAOYSA-N 0 0 233.676 2.333 20 5 BEBDRN CCCOC(=O)c1ccccc1[N+](=O)[O-] ZINC000035101572 355807540 /nfs/dbraw/zinc/80/75/40/355807540.db2.gz FEIDDCIQBWFLGQ-UHFFFAOYSA-N 0 0 209.201 2.162 20 5 BEBDRN CCCC(=O)CSc1ccc([N+](=O)[O-])cn1 ZINC000351699049 356062651 /nfs/dbraw/zinc/06/26/51/356062651.db2.gz XJURJHIQBPCBNZ-UHFFFAOYSA-N 0 0 240.284 2.451 20 5 BEBDRN CC(=O)c1ccc(Cn2nccc2[N+](=O)[O-])cc1 ZINC001640860947 1172195583 /nfs/dbraw/zinc/19/55/83/1172195583.db2.gz CDAVLDXRZFBRBH-UHFFFAOYSA-N 0 0 245.238 2.042 20 5 BEBDRN C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000049249068 356396663 /nfs/dbraw/zinc/39/66/63/356396663.db2.gz SWNRTKMQIUYSST-HOTUBEGUSA-N 0 0 248.282 2.428 20 5 BEBDRN O=c1c([N+](=O)[O-])cccn1CC=C(Cl)Cl ZINC001640898389 1172200091 /nfs/dbraw/zinc/20/00/91/1172200091.db2.gz XWLJAHFUKVQFAQ-UHFFFAOYSA-N 0 0 249.053 2.076 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC2(CC2)C1 ZINC000336191305 134123700 /nfs/dbraw/zinc/12/37/00/134123700.db2.gz FKCIZPQPLYMNPZ-UHFFFAOYSA-N 0 0 204.229 2.195 20 5 BEBDRN Cc1cccc(OC[C@H]2C[C@@H](O)C2)c1[N+](=O)[O-] ZINC000421211145 192312936 /nfs/dbraw/zinc/31/29/36/192312936.db2.gz HVRBUZZMDYQFMZ-AOOOYVTPSA-N 0 0 237.255 2.053 20 5 BEBDRN Cc1nc(N2[C@H](C)CC[C@H]2C)ncc1[N+](=O)[O-] ZINC000450381972 202146422 /nfs/dbraw/zinc/14/64/22/202146422.db2.gz WEVUWNBCUKGIMH-HTQZYQBOSA-N 0 0 236.275 2.070 20 5 BEBDRN CC/C=C\CNc1c([N+](=O)[O-])c(CC)nn1C ZINC000384785516 356746238 /nfs/dbraw/zinc/74/62/38/356746238.db2.gz URMQRFFHZYZNOP-SREVYHEPSA-N 0 0 238.291 2.269 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC(C3CCC3)C2)cn1 ZINC000450532776 202190077 /nfs/dbraw/zinc/19/00/77/202190077.db2.gz YHSKELVNWPVSFZ-UHFFFAOYSA-N 0 0 233.271 2.226 20 5 BEBDRN CCOC1(C)CN(c2ccccc2[N+](=O)[O-])C1 ZINC000450578231 202203644 /nfs/dbraw/zinc/20/36/44/202203644.db2.gz HHVHIBDSJYGAFS-UHFFFAOYSA-N 0 0 236.271 2.210 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(NC(CF)CF)n1 ZINC000450581626 202203899 /nfs/dbraw/zinc/20/38/99/202203899.db2.gz APNVNWPZIRDWGO-UHFFFAOYSA-N 0 0 245.229 2.326 20 5 BEBDRN O=[N+]([O-])c1ccccc1Cn1cnc(C2CC2)n1 ZINC000346345293 357026575 /nfs/dbraw/zinc/02/65/75/357026575.db2.gz HRKPVKKUJLHWRB-UHFFFAOYSA-N 0 0 244.254 2.112 20 5 BEBDRN COc1cc(Cn2cc(C)cn2)ccc1[N+](=O)[O-] ZINC000351897352 357169809 /nfs/dbraw/zinc/16/98/09/357169809.db2.gz LNGFINBVFCEUGX-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN O=[N+]([O-])c1cnc(NCc2ccccc2F)nc1 ZINC000040454459 357220152 /nfs/dbraw/zinc/22/01/52/357220152.db2.gz WUECEVXBHTXETG-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN O=[N+]([O-])c1cnc(NCc2ccc(F)cc2)nc1 ZINC000040454439 357220839 /nfs/dbraw/zinc/22/08/39/357220839.db2.gz YYLXHEZYXZZSHU-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN O=[N+]([O-])c1cnc(Sc2ccc(O)cc2)nc1 ZINC000040455011 357225425 /nfs/dbraw/zinc/22/54/25/357225425.db2.gz PYNOOLXAVKQDOX-UHFFFAOYSA-N 0 0 249.251 2.242 20 5 BEBDRN Cc1c(NCc2ncccn2)cccc1[N+](=O)[O-] ZINC000190315950 357699687 /nfs/dbraw/zinc/69/96/87/357699687.db2.gz UJXNZVDWUMZQQH-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN O=[N+]([O-])c1ccc(SCc2ncccn2)nc1 ZINC000191014149 357742960 /nfs/dbraw/zinc/74/29/60/357742960.db2.gz FOFKKIJMJVZYFB-UHFFFAOYSA-N 0 0 248.267 2.072 20 5 BEBDRN CCCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000102918541 357948417 /nfs/dbraw/zinc/94/84/17/357948417.db2.gz QCRAXPYPLCZRKB-UHFFFAOYSA-N 0 0 247.254 2.488 20 5 BEBDRN CC1(C)CN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000618981396 357996631 /nfs/dbraw/zinc/99/66/31/357996631.db2.gz KGRVKEZBYJIKHX-UHFFFAOYSA-N 0 0 241.678 2.489 20 5 BEBDRN Cc1cccc(NCC2(CO)CC2)c1[N+](=O)[O-] ZINC000218864849 134265196 /nfs/dbraw/zinc/26/51/96/134265196.db2.gz BBVJFIDMCCXZHC-UHFFFAOYSA-N 0 0 236.271 2.088 20 5 BEBDRN Cc1nnc(CNc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000611083517 358602548 /nfs/dbraw/zinc/60/25/48/358602548.db2.gz CNDYTOLGSQHMQS-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCc2cccnc2)cn1 ZINC000047873307 358604984 /nfs/dbraw/zinc/60/49/84/358604984.db2.gz NYWIPFZOSKFNET-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC=CCC1 ZINC000141150629 358929108 /nfs/dbraw/zinc/92/91/08/358929108.db2.gz IJHDLVIPZBPDIR-UHFFFAOYSA-N 0 0 204.229 2.361 20 5 BEBDRN O=[N+]([O-])c1ccc(/C=C\c2cocn2)nc1 ZINC000347596747 359001654 /nfs/dbraw/zinc/00/16/54/359001654.db2.gz BGVKCTRJPOIQBZ-UPHRSURJSA-N 0 0 217.184 2.148 20 5 BEBDRN O=C(c1csc([N+](=O)[O-])c1)N1CC=CCC1 ZINC000611513229 359381681 /nfs/dbraw/zinc/38/16/81/359381681.db2.gz RIZPXMGMLUZWDJ-UHFFFAOYSA-N 0 0 238.268 2.058 20 5 BEBDRN CC(C)[C@@H]1C[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000450806818 202273198 /nfs/dbraw/zinc/27/31/98/202273198.db2.gz FYDWNINMASFXRA-IUCAKERBSA-N 0 0 238.291 2.032 20 5 BEBDRN Cc1nn(C[C@@H]2CCC(C)(C)O2)cc1[N+](=O)[O-] ZINC000450966601 202321363 /nfs/dbraw/zinc/32/13/63/202321363.db2.gz YOOUAKZXJUYWKX-VIFPVBQESA-N 0 0 239.275 2.057 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[C@@H]3C2)cn1 ZINC000578494860 366579341 /nfs/dbraw/zinc/57/93/41/366579341.db2.gz RCFWIOMVTDRGFQ-AOOOYVTPSA-N 0 0 233.271 2.226 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](F)C1 ZINC000451189309 202373832 /nfs/dbraw/zinc/37/38/32/202373832.db2.gz OZGGXJVSFOAHKP-QMMMGPOBSA-N 0 0 242.225 2.278 20 5 BEBDRN CC(C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000039376686 360293180 /nfs/dbraw/zinc/29/31/80/360293180.db2.gz YDFPVPHKGSZMLL-UHFFFAOYSA-N 0 0 238.272 2.420 20 5 BEBDRN C[C@H](NCc1cccc([N+](=O)[O-])c1)C(F)F ZINC000228512261 360475733 /nfs/dbraw/zinc/47/57/33/360475733.db2.gz KAJCYSREEUVRJA-ZETCQYMHSA-N 0 0 230.214 2.338 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@H](CO)CC(F)F ZINC000428654700 201031589 /nfs/dbraw/zinc/03/15/89/201031589.db2.gz CQWJQKZXQYIOLN-ZETCQYMHSA-N 0 0 246.213 2.023 20 5 BEBDRN CC(C)(C(=O)NC1CC1)c1ccccc1[N+](=O)[O-] ZINC000429932589 201136048 /nfs/dbraw/zinc/13/60/48/201136048.db2.gz ZUYFOGOFZYCCAO-UHFFFAOYSA-N 0 0 248.282 2.151 20 5 BEBDRN Cc1nn(CCc2ccccn2)c(C)c1[N+](=O)[O-] ZINC000011329784 370695742 /nfs/dbraw/zinc/69/57/42/370695742.db2.gz WHGOUTGCSFRIAW-UHFFFAOYSA-N 0 0 246.270 2.046 20 5 BEBDRN Cc1ccc(Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000448553059 201254248 /nfs/dbraw/zinc/25/42/48/201254248.db2.gz ARZBMLBMGOOAFJ-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CC[C@H](O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000037695044 364526525 /nfs/dbraw/zinc/52/65/25/364526525.db2.gz VBWSGBBLBHBNBG-VIFPVBQESA-N 0 0 225.244 2.053 20 5 BEBDRN O=[N+]([O-])c1cccc(NC[C@@H]2CCCOC2)c1 ZINC000038046284 364577847 /nfs/dbraw/zinc/57/78/47/364577847.db2.gz KGVWLUREACCBGQ-JTQLQIEISA-N 0 0 236.271 2.433 20 5 BEBDRN Cc1ccc(C(=O)N2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000619147254 364727423 /nfs/dbraw/zinc/72/74/23/364727423.db2.gz QJKOYMYNNAHTOY-UHFFFAOYSA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCCC2(O)CC2)c1 ZINC000442914303 193004630 /nfs/dbraw/zinc/00/46/30/193004630.db2.gz MDMQVSVCZGJQQO-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN CO[C@@H](C)CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000443516593 193022963 /nfs/dbraw/zinc/02/29/63/193022963.db2.gz GMYCWKVDKXVUMY-VIFPVBQESA-N 0 0 239.275 2.053 20 5 BEBDRN CCCN(c1ncc([N+](=O)[O-])cn1)C(C)C ZINC000576121600 365493929 /nfs/dbraw/zinc/49/39/29/365493929.db2.gz HKHAIBDMPLYTDA-UHFFFAOYSA-N 0 0 224.264 2.010 20 5 BEBDRN CC(C)CCCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000579951547 367099801 /nfs/dbraw/zinc/09/98/01/367099801.db2.gz QBGBFXDILPGSIE-UHFFFAOYSA-N 0 0 242.250 2.332 20 5 BEBDRN CC(C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000017055259 367954955 /nfs/dbraw/zinc/95/49/55/367954955.db2.gz CHZCIBYHXBMTDO-SSDOTTSWSA-N 0 0 242.300 2.431 20 5 BEBDRN CC/C=C\CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000456110378 202910469 /nfs/dbraw/zinc/91/04/69/202910469.db2.gz XXVGJCJKHDEUHO-ARJAWSKDSA-N 0 0 248.282 2.220 20 5 BEBDRN CCCN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000063602494 368590025 /nfs/dbraw/zinc/59/00/25/368590025.db2.gz ZGOUVLJSINTTJZ-UHFFFAOYSA-N 0 0 222.244 2.077 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC2)c2ccncc21 ZINC000073448568 368806733 /nfs/dbraw/zinc/80/67/33/368806733.db2.gz KYEFONZBMBPKIR-UHFFFAOYSA-N 0 0 229.239 2.353 20 5 BEBDRN C/C=C\C[C@H](CO)Nc1ccc([N+](=O)[O-])s1 ZINC000309975014 370283844 /nfs/dbraw/zinc/28/38/44/370283844.db2.gz SBEQAASCLNDDFW-YAJNLLPGSA-N 0 0 242.300 2.395 20 5 BEBDRN COCCCN(C)c1ccc([N+](=O)[O-])s1 ZINC000066371961 370573153 /nfs/dbraw/zinc/57/31/53/370573153.db2.gz ZLOUVJMZPQGJNM-UHFFFAOYSA-N 0 0 230.289 2.129 20 5 BEBDRN C[C@H](CO)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000154729698 371152496 /nfs/dbraw/zinc/15/24/96/371152496.db2.gz HJPCILHBHAERIG-SSDOTTSWSA-N 0 0 245.662 2.255 20 5 BEBDRN CC(C)CN(C)c1cc(N)ccc1[N+](=O)[O-] ZINC000282290300 371457634 /nfs/dbraw/zinc/45/76/34/371457634.db2.gz VXAXWLSHRGUUJM-UHFFFAOYSA-N 0 0 223.276 2.269 20 5 BEBDRN CC1(C)C[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000161985391 371597199 /nfs/dbraw/zinc/59/71/99/371597199.db2.gz DBTIEPLSYGXALH-LLVKDONJSA-N 0 0 248.282 2.257 20 5 BEBDRN C[C@H]1C[C@@H]1Cc1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351141554 371609801 /nfs/dbraw/zinc/60/98/01/371609801.db2.gz CTBFDUPYNAFYOW-NKWVEPMBSA-N 0 0 249.226 2.436 20 5 BEBDRN C[C@H](CF)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000351205084 371614153 /nfs/dbraw/zinc/61/41/53/371614153.db2.gz QZIORHVLPSCJNF-SSDOTTSWSA-N 0 0 241.222 2.074 20 5 BEBDRN O=[N+]([O-])c1cnn(C[C@@H]2C[C@H]3C=C[C@@H]2C3)c1 ZINC000600514716 371678559 /nfs/dbraw/zinc/67/85/59/371678559.db2.gz AEORDOZRFPZQEQ-AEJSXWLSSA-N 0 0 219.244 2.004 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@H]1C[C@@H](CO)C1 ZINC000601212243 371739721 /nfs/dbraw/zinc/73/97/21/371739721.db2.gz WCPAHRGCBVQAPN-AOOOYVTPSA-N 0 0 236.271 2.086 20 5 BEBDRN C[C@@H]1OCC[C@H]1COc1ccccc1[N+](=O)[O-] ZINC000601068897 371724749 /nfs/dbraw/zinc/72/47/49/371724749.db2.gz GXXPGNMLAXTMOP-UWVGGRQHSA-N 0 0 237.255 2.399 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@]23C[C@H]2CCCC3)nc1 ZINC000601225742 371740149 /nfs/dbraw/zinc/74/01/49/371740149.db2.gz IYBJKYYYDOBFKD-LDYMZIIASA-N 0 0 234.259 2.129 20 5 BEBDRN CC[C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601127706 371727337 /nfs/dbraw/zinc/72/73/37/371727337.db2.gz NWWMXJBDYNCDBY-MRVPVSSYSA-N 0 0 239.250 2.365 20 5 BEBDRN C[C@@H](CC1CCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000601246167 371740928 /nfs/dbraw/zinc/74/09/28/371740928.db2.gz OJAFOMMYZUCUFB-QMMMGPOBSA-N 0 0 236.275 2.375 20 5 BEBDRN Cc1cc(C)cc(Cn2cnc([N+](=O)[O-])c2)c1 ZINC000029211542 371732057 /nfs/dbraw/zinc/73/20/57/371732057.db2.gz REIJKFRQLNAWLS-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CC(F)(F)CNc1ncc(F)cc1[N+](=O)[O-] ZINC000601168922 371732391 /nfs/dbraw/zinc/73/23/91/371732391.db2.gz FRZCHWXXSZDYTD-UHFFFAOYSA-N 0 0 235.165 2.196 20 5 BEBDRN COCCC1CN(c2ccsc2[N+](=O)[O-])C1 ZINC000601192673 371736772 /nfs/dbraw/zinc/73/67/72/371736772.db2.gz ZFYLTPSPYBOBAH-UHFFFAOYSA-N 0 0 242.300 2.129 20 5 BEBDRN Cc1cnc(NCC(C)(C)F)c([N+](=O)[O-])c1 ZINC000601205569 371736855 /nfs/dbraw/zinc/73/68/55/371736855.db2.gz AZJSINJGHRYLGW-UHFFFAOYSA-N 0 0 227.239 2.458 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(=O)n1CSC(C)C ZINC000600558570 371685753 /nfs/dbraw/zinc/68/57/53/371685753.db2.gz SLNJNIZNLWVILN-UHFFFAOYSA-N 0 0 242.300 2.164 20 5 BEBDRN CC(C)(F)CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000601688048 371763452 /nfs/dbraw/zinc/76/34/52/371763452.db2.gz MDLKSSMXWKDMBW-UHFFFAOYSA-N 0 0 246.263 2.134 20 5 BEBDRN Cc1nn(C)c(NC[C@@H](C)C2CC2)c1[N+](=O)[O-] ZINC000132809352 371927062 /nfs/dbraw/zinc/92/70/62/371927062.db2.gz KRPULAFCYCGXDQ-SSDOTTSWSA-N 0 0 238.291 2.095 20 5 BEBDRN CN(Cc1ccccn1)c1cccnc1[N+](=O)[O-] ZINC000604380166 371972026 /nfs/dbraw/zinc/97/20/26/371972026.db2.gz NCKMYMPHHRYPDJ-UHFFFAOYSA-N 0 0 244.254 2.021 20 5 BEBDRN COC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000604433427 371977409 /nfs/dbraw/zinc/97/74/09/371977409.db2.gz VYLXVVITZIQJMA-UHFFFAOYSA-N 0 0 242.300 2.272 20 5 BEBDRN Cc1c(C(=O)Nc2cnoc2)cccc1[N+](=O)[O-] ZINC000604542152 371986278 /nfs/dbraw/zinc/98/62/78/371986278.db2.gz ATQHUSHMFUMPKZ-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCC[C@H](C)O ZINC000134052324 372151948 /nfs/dbraw/zinc/15/19/48/372151948.db2.gz PVNFUDHEPJDYQF-VIFPVBQESA-N 0 0 225.244 2.053 20 5 BEBDRN O=C(CC1CC1)NCCc1ccccc1[N+](=O)[O-] ZINC000266089573 181888836 /nfs/dbraw/zinc/88/88/36/181888836.db2.gz YNNWBFIJNIJESD-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN O=[N+]([O-])c1cnc(NCc2cccs2)nc1 ZINC000040454520 373274214 /nfs/dbraw/zinc/27/42/14/373274214.db2.gz BUFZIJOIWIZKLK-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN CCCCOCCNc1ccc([N+](=O)[O-])cn1 ZINC000040507503 373354180 /nfs/dbraw/zinc/35/41/80/373354180.db2.gz RHWQKIIXSBRGBN-UHFFFAOYSA-N 0 0 239.275 2.218 20 5 BEBDRN Cc1ccnc(CNc2ccc([N+](=O)[O-])nc2)c1 ZINC000336896928 206019479 /nfs/dbraw/zinc/01/94/79/206019479.db2.gz OQABUSWBYNGNMO-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CO[C@H](COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000424090289 206028551 /nfs/dbraw/zinc/02/85/51/206028551.db2.gz XIXKCSMTLQAUFD-GFCCVEGCSA-N 0 0 237.255 2.399 20 5 BEBDRN O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1cc[nH]c1 ZINC000336526927 182350142 /nfs/dbraw/zinc/35/01/42/182350142.db2.gz JXLITXGVIHYTHG-UHFFFAOYSA-N 0 0 249.201 2.314 20 5 BEBDRN CC(=O)c1cccc(Cn2cnc([N+](=O)[O-])c2)c1 ZINC001643621762 1172480068 /nfs/dbraw/zinc/48/00/68/1172480068.db2.gz PCVBCKPJKOSOPP-UHFFFAOYSA-N 0 0 245.238 2.042 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NCC1(O)CCC1 ZINC000078601577 182922837 /nfs/dbraw/zinc/92/28/37/182922837.db2.gz OHGXVCWWODJPOW-UHFFFAOYSA-N 0 0 240.234 2.061 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1NCC1CC1 ZINC000129750886 182923325 /nfs/dbraw/zinc/92/33/25/182923325.db2.gz WCJDRJXFDYUGHV-UHFFFAOYSA-N 0 0 227.651 2.465 20 5 BEBDRN O=[N+]([O-])c1ccc(CSCCCO)cc1F ZINC000087226021 182931297 /nfs/dbraw/zinc/93/12/97/182931297.db2.gz SHWZNHOQEYYPAA-UHFFFAOYSA-N 0 0 245.275 2.350 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1N[C@H]1CCCOC1 ZINC000145819490 182945026 /nfs/dbraw/zinc/94/50/26/182945026.db2.gz BTQLXSXUXTXGQE-QMMMGPOBSA-N 0 0 240.234 2.325 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@@H]1CCCOC1 ZINC000071014315 182951173 /nfs/dbraw/zinc/95/11/73/182951173.db2.gz PCVMAKPCEBOGBM-SECBINFHSA-N 0 0 222.244 2.186 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@H]1CCC[C@H]1O ZINC000089166890 182951265 /nfs/dbraw/zinc/95/12/65/182951265.db2.gz XPJJQRVCBDLFQS-BXKDBHETSA-N 0 0 236.271 2.168 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@H]1CCC[C@@H]1F ZINC000338822734 182953989 /nfs/dbraw/zinc/95/39/89/182953989.db2.gz CMPRDMTUDJQECC-JGVFFNPUSA-N 0 0 225.223 2.292 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2C[C@H]2C2CC2)nc1 ZINC000309495873 182937301 /nfs/dbraw/zinc/93/73/01/182937301.db2.gz KBYABYGXSTURLP-UWVGGRQHSA-N 0 0 219.244 2.200 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CCCOC2)cc1 ZINC000082431544 182937935 /nfs/dbraw/zinc/93/79/35/182937935.db2.gz LFJJWWAUCKTFBJ-JTQLQIEISA-N 0 0 222.244 2.186 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC(C3CCCC3)C2)nc1 ZINC000373677901 182956089 /nfs/dbraw/zinc/95/60/89/182956089.db2.gz BNNCHZQMFZGZAD-UHFFFAOYSA-N 0 0 248.286 2.011 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC=C(F)C2)s1 ZINC000281881218 182957573 /nfs/dbraw/zinc/95/75/73/182957573.db2.gz LLVOJEPNICTXDG-UHFFFAOYSA-N 0 0 229.236 2.115 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC3(CCCC3)C2)nc1 ZINC000302136342 182957633 /nfs/dbraw/zinc/95/76/33/182957633.db2.gz BGQCHJSLKSSMOE-UHFFFAOYSA-N 0 0 248.286 2.155 20 5 BEBDRN O=[N+]([O-])c1cnc(N2C[C@@H]3CCC[C@@H]3C2)s1 ZINC000190334595 182957790 /nfs/dbraw/zinc/95/77/90/182957790.db2.gz LRWNRSXWZQQWSL-OCAPTIKFSA-N 0 0 239.300 2.288 20 5 BEBDRN CCCCn1cc(Br)c([N+](=O)[O-])n1 ZINC000040445579 169035272 /nfs/dbraw/zinc/03/52/72/169035272.db2.gz IRIVYVOMTIQQRC-UHFFFAOYSA-N 0 0 248.080 2.354 20 5 BEBDRN CCCN(C(C)=O)c1cccc([N+](=O)[O-])c1 ZINC000194131661 169049340 /nfs/dbraw/zinc/04/93/40/169049340.db2.gz VISLIQFZWVXJPW-UHFFFAOYSA-N 0 0 222.244 2.358 20 5 BEBDRN CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000330394863 169061543 /nfs/dbraw/zinc/06/15/43/169061543.db2.gz MLSYLIHKARCYKY-UHFFFAOYSA-N 0 0 236.271 2.385 20 5 BEBDRN CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000063602955 169061547 /nfs/dbraw/zinc/06/15/47/169061547.db2.gz AEGRJRLKKORWMV-UHFFFAOYSA-N 0 0 240.234 2.216 20 5 BEBDRN CCCN(C)c1cc(OC)ccc1[N+](=O)[O-] ZINC000338652907 169089060 /nfs/dbraw/zinc/08/90/60/169089060.db2.gz MMVBUIKNHWSDLU-UHFFFAOYSA-N 0 0 224.260 2.450 20 5 BEBDRN CCCN(CC)c1c([N+](=O)[O-])nc(C)n1CC ZINC000288785480 169132003 /nfs/dbraw/zinc/13/20/03/169132003.db2.gz FNKNIKRBHYSNTG-UHFFFAOYSA-N 0 0 240.307 2.356 20 5 BEBDRN CCC[C@@H](CC)Nc1ncc([N+](=O)[O-])cn1 ZINC000050405680 169380591 /nfs/dbraw/zinc/38/05/91/169380591.db2.gz SHGGBOZNKOTANV-MRVPVSSYSA-N 0 0 224.264 2.375 20 5 BEBDRN CC(C)(C)OCCCCn1cc([N+](=O)[O-])cn1 ZINC000352554490 166678808 /nfs/dbraw/zinc/67/88/08/166678808.db2.gz SPHQAYXBDRJFRL-UHFFFAOYSA-N 0 0 241.291 2.387 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@H]1CCC[C@@H]1F ZINC000338822738 383836870 /nfs/dbraw/zinc/83/68/70/383836870.db2.gz CMPRDMTUDJQECC-YUMQZZPRSA-N 0 0 225.223 2.292 20 5 BEBDRN Cc1cnccc1Sc1ncc([N+](=O)[O-])cn1 ZINC000338845599 383836907 /nfs/dbraw/zinc/83/69/07/383836907.db2.gz AUXUOQAANGZACX-UHFFFAOYSA-N 0 0 248.267 2.239 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H]2F)cn1 ZINC000338837550 383837928 /nfs/dbraw/zinc/83/79/28/383837928.db2.gz WCZDYTDHBPXXEW-DTWKUNHWSA-N 0 0 225.223 2.292 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2CCC[C@H]2F)cn1 ZINC000338837548 383833182 /nfs/dbraw/zinc/83/31/82/383833182.db2.gz WCZDYTDHBPXXEW-BDAKNGLRSA-N 0 0 225.223 2.292 20 5 BEBDRN CCC[C@H](O)CNc1c(C)cccc1[N+](=O)[O-] ZINC000112333766 383915769 /nfs/dbraw/zinc/91/57/69/383915769.db2.gz SDJNXLRGYJLYFZ-JTQLQIEISA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1nocc1CNCc1ccc([N+](=O)[O-])cc1 ZINC000339186460 383917042 /nfs/dbraw/zinc/91/70/42/383917042.db2.gz UVLHHYFIIZIWKG-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN C[C@H](CO)[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000287312405 383927752 /nfs/dbraw/zinc/92/77/52/383927752.db2.gz NHKAKJZIWDFXRN-SFYZADRCSA-N 0 0 242.250 2.163 20 5 BEBDRN C[C@@H](CO)CSc1c(F)cccc1[N+](=O)[O-] ZINC000288469399 383894386 /nfs/dbraw/zinc/89/43/86/383894386.db2.gz QJKDMGXUMNYCFX-ZETCQYMHSA-N 0 0 245.275 2.454 20 5 BEBDRN C[C@@H](CO)CSCc1ccccc1[N+](=O)[O-] ZINC000084211700 383984012 /nfs/dbraw/zinc/98/40/12/383984012.db2.gz OBYHUIBANYCXNY-VIFPVBQESA-N 0 0 241.312 2.456 20 5 BEBDRN O=[N+]([O-])c1ccccc1CNc1ncc(F)cn1 ZINC000135391256 383960338 /nfs/dbraw/zinc/96/03/38/383960338.db2.gz HBKJDDFBSDWFTD-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN Cc1cc(C(=O)N2CC3(CC3)C2)ccc1[N+](=O)[O-] ZINC000334842148 383967141 /nfs/dbraw/zinc/96/71/41/383967141.db2.gz QXZJHTKZHYSAHL-UHFFFAOYSA-N 0 0 246.266 2.139 20 5 BEBDRN C[C@@H](CO)CSCc1cccc([N+](=O)[O-])c1 ZINC000084211510 383977681 /nfs/dbraw/zinc/97/76/81/383977681.db2.gz CERPWZLEPISRRE-VIFPVBQESA-N 0 0 241.312 2.456 20 5 BEBDRN C[C@@H](O)C[C@@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC000310189811 384007158 /nfs/dbraw/zinc/00/71/58/384007158.db2.gz XMHKKOUGZJVCFZ-HTQZYQBOSA-N 0 0 242.250 2.305 20 5 BEBDRN Cc1cccc(COc2cccnc2[N+](=O)[O-])n1 ZINC000339744325 384009137 /nfs/dbraw/zinc/00/91/37/384009137.db2.gz HUNMAKDAGQANAM-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN COCCCOc1ccccc1[N+](=O)[O-] ZINC000150307584 384070896 /nfs/dbraw/zinc/07/08/96/384070896.db2.gz AJJWAZBCJNEQCR-UHFFFAOYSA-N 0 0 211.217 2.010 20 5 BEBDRN CN(Cc1ccoc1)c1ccncc1[N+](=O)[O-] ZINC000340151974 384111770 /nfs/dbraw/zinc/11/17/70/384111770.db2.gz ZISNRNRBLLCRNI-UHFFFAOYSA-N 0 0 233.227 2.219 20 5 BEBDRN CCCC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000050185457 384136189 /nfs/dbraw/zinc/13/61/89/384136189.db2.gz BTNWQKFZMDCPQP-UHFFFAOYSA-N 0 0 223.228 2.343 20 5 BEBDRN O=[N+]([O-])c1ccccc1CN1CC[C@@H](F)C1 ZINC000336222956 384163148 /nfs/dbraw/zinc/16/31/48/384163148.db2.gz XXZOPTMIGLLRNS-SNVBAGLBSA-N 0 0 224.235 2.139 20 5 BEBDRN O=[N+]([O-])c1ccccc1CN1CC[C@H](F)C1 ZINC000336222955 384163527 /nfs/dbraw/zinc/16/35/27/384163527.db2.gz XXZOPTMIGLLRNS-JTQLQIEISA-N 0 0 224.235 2.139 20 5 BEBDRN O=[N+]([O-])c1cccc(CN2CC[C@H](F)C2)c1 ZINC000336222927 384166691 /nfs/dbraw/zinc/16/66/91/384166691.db2.gz WHYIWPZCUYIBHL-JTQLQIEISA-N 0 0 224.235 2.139 20 5 BEBDRN CCO[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000579191604 384196280 /nfs/dbraw/zinc/19/62/80/384196280.db2.gz BRUFMWNIYNNEIZ-QWRGUYRKSA-N 0 0 240.234 2.323 20 5 BEBDRN O=[N+]([O-])c1cn(C[C@@H]2CCC(F)(F)C2)cn1 ZINC000336276462 384198352 /nfs/dbraw/zinc/19/83/52/384198352.db2.gz QLIIPEUCNRRVQK-SSDOTTSWSA-N 0 0 231.202 2.227 20 5 BEBDRN Cc1ccnc(NCC2CC2)c1[N+](=O)[O-] ZINC000070062615 384216744 /nfs/dbraw/zinc/21/67/44/384216744.db2.gz HLWOAZMENJYUBY-UHFFFAOYSA-N 0 0 207.233 2.120 20 5 BEBDRN CO[C@@H](C)CN(C)c1ccccc1[N+](=O)[O-] ZINC000286353385 384276937 /nfs/dbraw/zinc/27/69/37/384276937.db2.gz KKYANHLZOPDWSC-VIFPVBQESA-N 0 0 224.260 2.066 20 5 BEBDRN CON(CC(C)(C)C)c1ncccc1[N+](=O)[O-] ZINC000286234683 384253891 /nfs/dbraw/zinc/25/38/91/384253891.db2.gz CYAKXLDMTLYYQD-UHFFFAOYSA-N 0 0 239.275 2.404 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N[C@H](C)CF)n1 ZINC000336758278 384268559 /nfs/dbraw/zinc/26/85/59/384268559.db2.gz ZMNICDBJPSCCKJ-MRVPVSSYSA-N 0 0 227.239 2.377 20 5 BEBDRN Cc1cc(-n2ccnc2)c(F)cc1[N+](=O)[O-] ZINC000335565413 384304921 /nfs/dbraw/zinc/30/49/21/384304921.db2.gz VTFFVXHNLLOENA-UHFFFAOYSA-N 0 0 221.191 2.228 20 5 BEBDRN CO[C@@H](C)CN(C)c1cccc(C)c1[N+](=O)[O-] ZINC000286418037 384319322 /nfs/dbraw/zinc/31/93/22/384319322.db2.gz OKUGTPXTPUDBAB-JTQLQIEISA-N 0 0 238.287 2.374 20 5 BEBDRN CO[C@H]1C[C@@H](N(C)c2ccccc2[N+](=O)[O-])C1 ZINC000286375395 384288866 /nfs/dbraw/zinc/28/88/66/384288866.db2.gz OAUBGNDBXHRDJW-AOOOYVTPSA-N 0 0 236.271 2.208 20 5 BEBDRN CC[C@H](O)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000229996198 384343239 /nfs/dbraw/zinc/34/32/39/384343239.db2.gz AYDIMLYMKMDUCO-ZETCQYMHSA-N 0 0 244.678 2.431 20 5 BEBDRN CCC[C@H](O)CNc1ccc(F)cc1[N+](=O)[O-] ZINC000134546428 384348409 /nfs/dbraw/zinc/34/84/09/384348409.db2.gz HLEYNCMOSJBVRN-VIFPVBQESA-N 0 0 242.250 2.307 20 5 BEBDRN Cc1ccc(NCC2(CO)CC2)c([N+](=O)[O-])c1 ZINC000118907522 384392903 /nfs/dbraw/zinc/39/29/03/384392903.db2.gz PYJSHIAISBHJNG-UHFFFAOYSA-N 0 0 236.271 2.088 20 5 BEBDRN O=[N+]([O-])c1cnn(C[C@@H]2CCC(F)(F)C2)c1 ZINC000335909709 384423208 /nfs/dbraw/zinc/42/32/08/384423208.db2.gz REWMGSNHGILSBW-SSDOTTSWSA-N 0 0 231.202 2.227 20 5 BEBDRN CCN(CC)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359085010 384375856 /nfs/dbraw/zinc/37/58/56/384375856.db2.gz SIWDQXSOFKVVGP-UHFFFAOYSA-N 0 0 223.276 2.453 20 5 BEBDRN Cc1n[nH]cc1Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359079526 384376315 /nfs/dbraw/zinc/37/63/15/384376315.db2.gz BRRVUDJEHMIYOS-UHFFFAOYSA-N 0 0 247.258 2.382 20 5 BEBDRN C[C@@H](CF)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000308920875 384383205 /nfs/dbraw/zinc/38/32/05/384383205.db2.gz IVHHZFUOXMFIHX-YFKPBYRVSA-N 0 0 233.630 2.413 20 5 BEBDRN C[C@H](O)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000078771621 384463475 /nfs/dbraw/zinc/46/34/75/384463475.db2.gz PXMZQRBSLOOPMO-ZETCQYMHSA-N 0 0 244.678 2.431 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1N1CC[C@@H](F)C1 ZINC000309225307 384470606 /nfs/dbraw/zinc/47/06/06/384470606.db2.gz DFRPAFSLECWWIR-MRVPVSSYSA-N 0 0 228.198 2.282 20 5 BEBDRN Cc1cncc(CNc2ccc([N+](=O)[O-])nc2)c1 ZINC000340576061 384501864 /nfs/dbraw/zinc/50/18/64/384501864.db2.gz OYXXPLHZUOLWGW-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cc(C(=O)N[C@H](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000049156364 384522127 /nfs/dbraw/zinc/52/21/27/384522127.db2.gz BGTQOEGIQLGAIN-SECBINFHSA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC[C@@H]2CCOC2)cc1 ZINC000230104491 384528036 /nfs/dbraw/zinc/52/80/36/384528036.db2.gz YDDHDEZCGSPJLI-SNVBAGLBSA-N 0 0 236.271 2.433 20 5 BEBDRN CCCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000049375657 384533877 /nfs/dbraw/zinc/53/38/77/384533877.db2.gz NJHKETGIMFLYLF-UHFFFAOYSA-N 0 0 236.271 2.433 20 5 BEBDRN C[C@@H](NCc1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000049715535 384559624 /nfs/dbraw/zinc/55/96/24/384559624.db2.gz JKDRDKNEVMOYFZ-SECBINFHSA-N 0 0 246.270 2.169 20 5 BEBDRN C[C@H](NCc1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000049715534 384561484 /nfs/dbraw/zinc/56/14/84/384561484.db2.gz JKDRDKNEVMOYFZ-VIFPVBQESA-N 0 0 246.270 2.169 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1NCc1cccnn1 ZINC000306075666 384539730 /nfs/dbraw/zinc/53/97/30/384539730.db2.gz FXRUPHMJNKFFET-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN O=C(N[C@@H]1C[C@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000431169747 384579282 /nfs/dbraw/zinc/57/92/82/384579282.db2.gz WHFLVYFYEYWHPC-WDEREUQCSA-N 0 0 246.266 2.123 20 5 BEBDRN C[C@@H]1C[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000136088079 384656177 /nfs/dbraw/zinc/65/61/77/384656177.db2.gz FNJIPIQYMWJCPA-SFYZADRCSA-N 0 0 207.233 2.058 20 5 BEBDRN CCN(C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000101738587 384686781 /nfs/dbraw/zinc/68/67/81/384686781.db2.gz XYHCRFYTDVQXNN-UHFFFAOYSA-N 0 0 237.259 2.387 20 5 BEBDRN CCCCCCn1cccc([N+](=O)[O-])c1=O ZINC000102204077 384701193 /nfs/dbraw/zinc/70/11/93/384701193.db2.gz BABBCVOFXGSEDT-UHFFFAOYSA-N 0 0 224.260 2.337 20 5 BEBDRN CC[C@H](O)CCCNc1ncc([N+](=O)[O-])s1 ZINC000310036924 384703519 /nfs/dbraw/zinc/70/35/19/384703519.db2.gz UQHJKHMGFNLBHG-ZETCQYMHSA-N 0 0 245.304 2.014 20 5 BEBDRN COC[C@H](C)CNc1ccccc1[N+](=O)[O-] ZINC000044477502 384741642 /nfs/dbraw/zinc/74/16/42/384741642.db2.gz OKUSKFVZLPXTCY-SECBINFHSA-N 0 0 224.260 2.289 20 5 BEBDRN CCc1ccc(C(=O)NCC2CC2)cc1[N+](=O)[O-] ZINC000174043562 384748706 /nfs/dbraw/zinc/74/87/06/384748706.db2.gz SIGDQJNSBPHRAW-UHFFFAOYSA-N 0 0 248.282 2.297 20 5 BEBDRN C[C@H]1CSC[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000309507426 384761163 /nfs/dbraw/zinc/76/11/63/384761163.db2.gz WILNONDZZMKLHH-CBAPKCEASA-N 0 0 239.300 2.153 20 5 BEBDRN Cc1nc(N[C@@H]2CC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450473496 384767256 /nfs/dbraw/zinc/76/72/56/384767256.db2.gz ZTZFNACTGAEJEW-IONNQARKSA-N 0 0 236.275 2.294 20 5 BEBDRN CCN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000135059471 384827347 /nfs/dbraw/zinc/82/73/47/384827347.db2.gz KBJRVOLXEVARHP-UHFFFAOYSA-N 0 0 242.662 2.340 20 5 BEBDRN Cc1ccc(NC[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000104162649 384806238 /nfs/dbraw/zinc/80/62/38/384806238.db2.gz MPEAQOPCCAKHIJ-LBPRGKRZSA-N 0 0 236.271 2.086 20 5 BEBDRN CC[C@H](O)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000234033937 384876459 /nfs/dbraw/zinc/87/64/59/384876459.db2.gz NUAGVSXQAVIRAA-ZETCQYMHSA-N 0 0 246.213 2.056 20 5 BEBDRN COc1cccc(N2CC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000450604779 384839256 /nfs/dbraw/zinc/83/92/56/384839256.db2.gz MKHRYRQPWCXNKH-MRVPVSSYSA-N 0 0 240.234 2.152 20 5 BEBDRN Cc1nn(C)cc1COc1cccc([N+](=O)[O-])c1 ZINC000450623334 384845758 /nfs/dbraw/zinc/84/57/58/384845758.db2.gz MKGZPECXMAZGTN-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCc2cnn(C)c2)c1 ZINC000084726422 384865153 /nfs/dbraw/zinc/86/51/53/384865153.db2.gz XYBPOHXOHJTIJC-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2C[C@H](C)[C@@H](C)C2)n1 ZINC000268857927 384865333 /nfs/dbraw/zinc/86/53/33/384865333.db2.gz ZRRCNLJSPINIOA-IUCAKERBSA-N 0 0 235.287 2.390 20 5 BEBDRN CO[C@H](C)COc1ccc(C)c([N+](=O)[O-])c1 ZINC000181040279 384891466 /nfs/dbraw/zinc/89/14/66/384891466.db2.gz FXOBKRHCLQJYNV-SECBINFHSA-N 0 0 225.244 2.317 20 5 BEBDRN CCOCCNc1cc(C)ccc1[N+](=O)[O-] ZINC000084726318 384893195 /nfs/dbraw/zinc/89/31/95/384893195.db2.gz COPHJAOHAXLRRV-UHFFFAOYSA-N 0 0 224.260 2.352 20 5 BEBDRN CC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000227527100 384927682 /nfs/dbraw/zinc/92/76/82/384927682.db2.gz MVDUYOXUXPHZNI-VXNVDRBHSA-N 0 0 207.233 2.200 20 5 BEBDRN Cc1ccc(C)c(Cn2ncc([N+](=O)[O-])c2N)c1 ZINC000043670118 384985347 /nfs/dbraw/zinc/98/53/47/384985347.db2.gz VPGPMBGQOAOXJD-UHFFFAOYSA-N 0 0 246.270 2.039 20 5 BEBDRN COC[C@H](C)Oc1ccc([N+](=O)[O-])cc1 ZINC000178301376 384963630 /nfs/dbraw/zinc/96/36/30/384963630.db2.gz RUUBFJOBIHQTFH-QMMMGPOBSA-N 0 0 211.217 2.009 20 5 BEBDRN CC(C)c1ccc(C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000188976231 385054495 /nfs/dbraw/zinc/05/44/95/385054495.db2.gz NDRSYDDRTSEDAP-UHFFFAOYSA-N 0 0 236.271 2.420 20 5 BEBDRN CCO[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000381495074 385083372 /nfs/dbraw/zinc/08/33/72/385083372.db2.gz MAPGEANKSRNWJM-MNOVXSKESA-N 0 0 222.244 2.184 20 5 BEBDRN Cc1cc(NCC2CC(C)C2)ncc1[N+](=O)[O-] ZINC000598642060 385043990 /nfs/dbraw/zinc/04/39/90/385043990.db2.gz AKGMXPOSSCNWRM-UHFFFAOYSA-N 0 0 235.287 2.178 20 5 BEBDRN CN(CC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000263771063 385138814 /nfs/dbraw/zinc/13/88/14/385138814.db2.gz LXVXEKAXVZSAEB-UHFFFAOYSA-N 0 0 240.259 2.306 20 5 BEBDRN COCC1(C)CN(c2ccccc2[N+](=O)[O-])C1 ZINC000516947686 385180903 /nfs/dbraw/zinc/18/09/03/385180903.db2.gz OBCOUOQYLRKPGW-UHFFFAOYSA-N 0 0 236.271 2.068 20 5 BEBDRN C[C@H](O)CCCNc1c(F)cccc1[N+](=O)[O-] ZINC000287830489 385239814 /nfs/dbraw/zinc/23/98/14/385239814.db2.gz QVNJVMPYRLRKAP-QMMMGPOBSA-N 0 0 242.250 2.307 20 5 BEBDRN CC/C=C/CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000294951964 385333218 /nfs/dbraw/zinc/33/32/18/385333218.db2.gz JDVALLWFLINPDM-VOTSOKGWSA-N 0 0 238.291 2.498 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCCCF)cn1 ZINC000336708896 385395719 /nfs/dbraw/zinc/39/57/19/385395719.db2.gz SLEGREGMFDLZMU-UHFFFAOYSA-N 0 0 213.212 2.151 20 5 BEBDRN CC(C)(CF)NCc1csc([N+](=O)[O-])c1 ZINC000309087706 385412683 /nfs/dbraw/zinc/41/26/83/385412683.db2.gz ZYXSBGRJPSPLHV-UHFFFAOYSA-N 0 0 232.280 2.494 20 5 BEBDRN CCCCN(C)c1c([N+](=O)[O-])c(C)nn1CC ZINC000195329701 385465280 /nfs/dbraw/zinc/46/52/80/385465280.db2.gz NEFMJLOXOHEEPO-UHFFFAOYSA-N 0 0 240.307 2.356 20 5 BEBDRN Cc1cc(=O)n(CC2CCCC2)cc1[N+](=O)[O-] ZINC000128405456 385480452 /nfs/dbraw/zinc/48/04/52/385480452.db2.gz ARNLWNQVASUWHT-UHFFFAOYSA-N 0 0 236.271 2.255 20 5 BEBDRN CO[C@@H](C)[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000290627331 385504621 /nfs/dbraw/zinc/50/46/21/385504621.db2.gz GTGZFZIBVBLEJT-BDAKNGLRSA-N 0 0 239.275 2.134 20 5 BEBDRN CC[C@@H](CNc1ccccc1[N+](=O)[O-])OC ZINC000290711578 385572512 /nfs/dbraw/zinc/57/25/12/385572512.db2.gz OIMDTTLIOVIRGU-VIFPVBQESA-N 0 0 224.260 2.432 20 5 BEBDRN Cc1nn([C@@H]2C[C@@H](C)CCC2=O)cc1[N+](=O)[O-] ZINC000450960007 385600571 /nfs/dbraw/zinc/60/05/71/385600571.db2.gz OAXLALJWCJCMIZ-IONNQARKSA-N 0 0 237.259 2.030 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C)C2)n1 ZINC000408171742 385603203 /nfs/dbraw/zinc/60/32/03/385603203.db2.gz NGUHHDLGVKZCDS-QMMMGPOBSA-N 0 0 235.287 2.453 20 5 BEBDRN COC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000073194184 385690152 /nfs/dbraw/zinc/69/01/52/385690152.db2.gz DSKMUYXBYABZPH-UHFFFAOYSA-N 0 0 227.241 2.103 20 5 BEBDRN O=[N+]([O-])c1c(NC2CCC2)nc2sccn21 ZINC000052211445 385708642 /nfs/dbraw/zinc/70/86/42/385708642.db2.gz OLWGXINKKSPZCY-UHFFFAOYSA-N 0 0 238.272 2.268 20 5 BEBDRN CO[C@@H](CNc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000292852502 385727517 /nfs/dbraw/zinc/72/75/17/385727517.db2.gz RMJYVVNUGUQZOB-LBPRGKRZSA-N 0 0 236.271 2.432 20 5 BEBDRN CC(C)N(C)c1nc2sccn2c1[N+](=O)[O-] ZINC000264937054 385731421 /nfs/dbraw/zinc/73/14/21/385731421.db2.gz RVXZGMKHROSPDV-UHFFFAOYSA-N 0 0 240.288 2.149 20 5 BEBDRN O=[N+]([O-])c1ccccc1Cc1noc(C2CC2)n1 ZINC000355692354 385786920 /nfs/dbraw/zinc/78/69/20/385786920.db2.gz YEWXDNDPTHROFN-UHFFFAOYSA-N 0 0 245.238 2.446 20 5 BEBDRN CC(C)(O)CCOc1cccc([N+](=O)[O-])c1 ZINC000086234665 385769578 /nfs/dbraw/zinc/76/95/78/385769578.db2.gz HBBBWWFADZYDEE-UHFFFAOYSA-N 0 0 225.244 2.135 20 5 BEBDRN CC[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])OC ZINC000290732671 385776579 /nfs/dbraw/zinc/77/65/79/385776579.db2.gz QRMYWANFKKWFEY-VIFPVBQESA-N 0 0 239.275 2.014 20 5 BEBDRN C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccon1 ZINC000341933008 385839543 /nfs/dbraw/zinc/83/95/43/385839543.db2.gz UIRYSGMEGJJXPQ-ZETCQYMHSA-N 0 0 234.215 2.151 20 5 BEBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCCO1 ZINC000276538430 386139596 /nfs/dbraw/zinc/13/95/96/386139596.db2.gz CWLVNJSLRMZDLG-UHFFFAOYSA-N 0 0 245.238 2.285 20 5 BEBDRN C[C@@H](CCCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000087360525 386196856 /nfs/dbraw/zinc/19/68/56/386196856.db2.gz CWNMOSQTFFPXGO-VIFPVBQESA-N 0 0 224.260 2.168 20 5 BEBDRN CCOc1cc(Nc2c[nH]cn2)ccc1[N+](=O)[O-] ZINC000574987900 386199093 /nfs/dbraw/zinc/19/90/93/386199093.db2.gz APYXVKWRUYSIGP-UHFFFAOYSA-N 0 0 248.242 2.460 20 5 BEBDRN CS[C@@H](C)CNc1ccc([N+](=O)[O-])cn1 ZINC000128816207 386525448 /nfs/dbraw/zinc/52/54/48/386525448.db2.gz QGABPIVBHLZPEZ-ZETCQYMHSA-N 0 0 227.289 2.153 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC(C)C1 ZINC000267693773 386460777 /nfs/dbraw/zinc/46/07/77/386460777.db2.gz KMEVCUYJBSLYQB-UHFFFAOYSA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CCSC2)nc1 ZINC000228580479 386590699 /nfs/dbraw/zinc/59/06/99/386590699.db2.gz CMTITAGFVUHNTE-QMMMGPOBSA-N 0 0 239.300 2.155 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C)CC1 ZINC000357559203 386535693 /nfs/dbraw/zinc/53/56/93/386535693.db2.gz KXYPKRSPVWPYAV-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN C[C@H](F)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000356669947 386713373 /nfs/dbraw/zinc/71/33/73/386713373.db2.gz KMMLNHICTHUWCM-QMMMGPOBSA-N 0 0 240.234 2.073 20 5 BEBDRN CCc1noc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000345465302 386726066 /nfs/dbraw/zinc/72/60/66/386726066.db2.gz UOUIWKPLDBSJLU-UHFFFAOYSA-N 0 0 219.200 2.207 20 5 BEBDRN CSCCN(C)c1ncc([N+](=O)[O-])cc1C ZINC000301561937 386856789 /nfs/dbraw/zinc/85/67/89/386856789.db2.gz KOAZTLKHRXCFAZ-UHFFFAOYSA-N 0 0 241.316 2.097 20 5 BEBDRN CSCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000032517202 386932818 /nfs/dbraw/zinc/93/28/18/386932818.db2.gz NDUJGZGPIQYRGS-UHFFFAOYSA-N 0 0 240.284 2.205 20 5 BEBDRN Cc1sc(C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000074343965 387007880 /nfs/dbraw/zinc/00/78/80/387007880.db2.gz PZXHBAXUQXQSHV-UHFFFAOYSA-N 0 0 240.284 2.201 20 5 BEBDRN CCSCCn1nc(C)c([N+](=O)[O-])c1C ZINC000118608711 387063358 /nfs/dbraw/zinc/06/33/58/387063358.db2.gz ZNJWRNGXRGERKM-UHFFFAOYSA-N 0 0 229.305 2.161 20 5 BEBDRN C[C@H](CCO)CCNc1ccccc1[N+](=O)[O-] ZINC000294987037 387014289 /nfs/dbraw/zinc/01/42/89/387014289.db2.gz QCBXNNWQJVVUTL-JTQLQIEISA-N 0 0 238.287 2.415 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1C[C@@H](O)C1 ZINC000295338022 387098157 /nfs/dbraw/zinc/09/81/57/387098157.db2.gz MWONIHCRLROIGM-OCAPTIKFSA-N 0 0 242.662 2.183 20 5 BEBDRN Cc1cc(-c2nc(N(C)C)no2)cc([N+](=O)[O-])c1 ZINC000269311595 387269820 /nfs/dbraw/zinc/26/98/20/387269820.db2.gz WALOCXDGLLMKAB-UHFFFAOYSA-N 0 0 248.242 2.019 20 5 BEBDRN CCCC(=O)Oc1ccc(OC)c([N+](=O)[O-])c1 ZINC000191031632 387272479 /nfs/dbraw/zinc/27/24/79/387272479.db2.gz REOFLNLUUVKQDG-UHFFFAOYSA-N 0 0 239.227 2.309 20 5 BEBDRN CSCCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193447699 387300615 /nfs/dbraw/zinc/30/06/15/387300615.db2.gz ZTBGWXKTIROVAM-UHFFFAOYSA-N 0 0 241.316 2.342 20 5 BEBDRN CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1C ZINC000035606418 387373810 /nfs/dbraw/zinc/37/38/10/387373810.db2.gz PVMCPLDDHMXHSZ-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN CC[C@H](F)Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000440604673 387374211 /nfs/dbraw/zinc/37/42/11/387374211.db2.gz WQQKVGIPYNQURS-ZETCQYMHSA-N 0 0 248.641 2.158 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(N2CC[C@H](C3CC3)C2)c1 ZINC000373865515 387402067 /nfs/dbraw/zinc/40/20/67/387402067.db2.gz JGLPPDAFHJYZMM-JTQLQIEISA-N 0 0 247.298 2.413 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)cnc1Nc1c[nH]cn1 ZINC000519682137 387504840 /nfs/dbraw/zinc/50/48/40/387504840.db2.gz GCXRDIWWROCMDY-UHFFFAOYSA-N 0 0 239.622 2.110 20 5 BEBDRN CCOCCOc1ccc([N+](=O)[O-])c(F)c1F ZINC000295950440 387513882 /nfs/dbraw/zinc/51/38/82/387513882.db2.gz LTFLUHVEOLXLFF-UHFFFAOYSA-N 0 0 247.197 2.288 20 5 BEBDRN CC[C@@H](C)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000075505700 387491464 /nfs/dbraw/zinc/49/14/64/387491464.db2.gz OOWUGHPUPKSYCD-SECBINFHSA-N 0 0 236.271 2.465 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CCCOCC2)s1 ZINC000192522374 387594692 /nfs/dbraw/zinc/59/46/92/387594692.db2.gz ZAVLFODPVUTLCO-ZETCQYMHSA-N 0 0 243.288 2.032 20 5 BEBDRN CSCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129787325 387615753 /nfs/dbraw/zinc/61/57/53/387615753.db2.gz KNZWRKRKHFQLQJ-UHFFFAOYSA-N 0 0 247.707 2.418 20 5 BEBDRN C[C@H](NC(=O)NC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296233799 387639576 /nfs/dbraw/zinc/63/95/76/387639576.db2.gz QPZKSNPYWNEOEC-QMMMGPOBSA-N 0 0 249.270 2.117 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CCO)c1 ZINC000088724686 387653533 /nfs/dbraw/zinc/65/35/33/387653533.db2.gz HZJYRHSGUMRMQD-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN CCC[C@@H](O)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000088722728 387653794 /nfs/dbraw/zinc/65/37/94/387653794.db2.gz AJQVWLIDGIQHBL-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN C[C@@H](NCc1c[nH]cn1)c1ccccc1[N+](=O)[O-] ZINC000088750579 387722524 /nfs/dbraw/zinc/72/25/24/387722524.db2.gz QBIIHLJNAXDOQO-SECBINFHSA-N 0 0 246.270 2.169 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@H](F)C1 ZINC000238548934 387874407 /nfs/dbraw/zinc/87/44/07/387874407.db2.gz HUWKYORCUVXUSA-QMMMGPOBSA-N 0 0 210.208 2.143 20 5 BEBDRN CCOCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000036230047 387887280 /nfs/dbraw/zinc/88/72/80/387887280.db2.gz VHXUAYRGJWUHSO-UHFFFAOYSA-N 0 0 224.260 2.352 20 5 BEBDRN O=[N+]([O-])c1cccc2ncnc(NC3CC3)c21 ZINC000347400899 387960002 /nfs/dbraw/zinc/96/00/02/387960002.db2.gz AHEDFXLQQLJYTI-UHFFFAOYSA-N 0 0 230.227 2.112 20 5 BEBDRN Cc1cc(C(=O)N[C@@H](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000049156362 177798574 /nfs/dbraw/zinc/79/85/74/177798574.db2.gz BGTQOEGIQLGAIN-VIFPVBQESA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1nc(N(C)C2CCCC2)ncc1[N+](=O)[O-] ZINC000296542270 388006156 /nfs/dbraw/zinc/00/61/56/388006156.db2.gz OAPVRHLBQGPXCP-UHFFFAOYSA-N 0 0 236.275 2.072 20 5 BEBDRN O=C(c1cccc([N+](=O)[O-])c1)N1C2CCC1CC2 ZINC000592039942 388147456 /nfs/dbraw/zinc/14/74/56/388147456.db2.gz LFEOVLMVQIEUGQ-UHFFFAOYSA-N 0 0 246.266 2.362 20 5 BEBDRN Cc1cc(C(=O)N2CC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000299723594 177764536 /nfs/dbraw/zinc/76/45/36/177764536.db2.gz OMHZROXBVJGGTD-VIFPVBQESA-N 0 0 248.282 2.385 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCc2ccncc2)n1 ZINC000162593795 388354528 /nfs/dbraw/zinc/35/45/28/388354528.db2.gz ZEBFHEMXEMQPFZ-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN COc1cc(N2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000270552427 388358283 /nfs/dbraw/zinc/35/82/83/388358283.db2.gz HTSCABWNPBLIMN-UHFFFAOYSA-N 0 0 240.234 2.343 20 5 BEBDRN Cc1ccc(OCCC2(O)CC2)cc1[N+](=O)[O-] ZINC000442848972 388367053 /nfs/dbraw/zinc/36/70/53/388367053.db2.gz GGJBLGDONKCWJC-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NCCC1(O)CC1 ZINC000442867437 388367071 /nfs/dbraw/zinc/36/70/71/388367071.db2.gz LMTGGBXKDMSZQG-UHFFFAOYSA-N 0 0 236.271 2.230 20 5 BEBDRN O=[N+]([O-])c1cccc2c1ccn2CCC1(O)CC1 ZINC000442859900 388367249 /nfs/dbraw/zinc/36/72/49/388367249.db2.gz XXSDXOWUSRAHQC-UHFFFAOYSA-N 0 0 246.266 2.465 20 5 BEBDRN COC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227647893 388368804 /nfs/dbraw/zinc/36/88/04/388368804.db2.gz CPPXOFFBCXGMND-ZCFIWIBFSA-N 0 0 245.666 2.090 20 5 BEBDRN COC[C@H](C)Nc1ncc([N+](=O)[O-])cc1Cl ZINC000227647897 388368900 /nfs/dbraw/zinc/36/89/00/388368900.db2.gz CPPXOFFBCXGMND-LURJTMIESA-N 0 0 245.666 2.090 20 5 BEBDRN Cc1cnc(N[C@H](C)c2ccon2)c([N+](=O)[O-])c1 ZINC000353272083 388369189 /nfs/dbraw/zinc/36/91/89/388369189.db2.gz ZXXZYMSBZDUJJF-MRVPVSSYSA-N 0 0 248.242 2.459 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CC[C@@H]1C(F)(F)F ZINC000594873676 388369680 /nfs/dbraw/zinc/36/96/80/388369680.db2.gz KKWYUGJCMMDYMQ-SSDOTTSWSA-N 0 0 247.176 2.131 20 5 BEBDRN Cc1ccc(NC(=O)N[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000076032857 388369803 /nfs/dbraw/zinc/36/98/03/388369803.db2.gz XLBLUWRQGNXJDU-WPRPVWTQSA-N 0 0 249.270 2.433 20 5 BEBDRN Cc1c(NC(=O)N[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000076033328 388369892 /nfs/dbraw/zinc/36/98/92/388369892.db2.gz WCBPZYIFSKCSHV-GMSGAONNSA-N 0 0 249.270 2.433 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CC[C@H]1C(F)(F)F ZINC000594873677 388370197 /nfs/dbraw/zinc/37/01/97/388370197.db2.gz KKWYUGJCMMDYMQ-ZETCQYMHSA-N 0 0 247.176 2.131 20 5 BEBDRN COC[C@@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887381 388372814 /nfs/dbraw/zinc/37/28/14/388372814.db2.gz JGEXCOWCKGKAFQ-ZCFIWIBFSA-N 0 0 246.213 2.320 20 5 BEBDRN CN(CC(F)F)c1ccc(F)cc1[N+](=O)[O-] ZINC000354083371 388376803 /nfs/dbraw/zinc/37/68/03/388376803.db2.gz BQLKJOZAQQZSOP-UHFFFAOYSA-N 0 0 234.177 2.435 20 5 BEBDRN CC1(CC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000519798236 256660120 /nfs/dbraw/zinc/66/01/20/256660120.db2.gz AZQCKTLFCYTNSP-UHFFFAOYSA-N 0 0 248.282 2.401 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC[C@@H]1CCSC1 ZINC000228583325 388385465 /nfs/dbraw/zinc/38/54/65/388385465.db2.gz HTRGVYNJPXUVHX-QMMMGPOBSA-N 0 0 239.300 2.155 20 5 BEBDRN COCC[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000090692432 388472502 /nfs/dbraw/zinc/47/25/02/388472502.db2.gz XLFYRWGPBLAHDE-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN C[C@@H](NC(=O)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000271839519 388407807 /nfs/dbraw/zinc/40/78/07/388407807.db2.gz YFSHTYQNGOYYBI-MRVPVSSYSA-N 0 0 234.255 2.182 20 5 BEBDRN CC(C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271845876 388408466 /nfs/dbraw/zinc/40/84/66/388408466.db2.gz VLKPDLDTXSLXLE-VIFPVBQESA-N 0 0 236.271 2.428 20 5 BEBDRN CN(CC1CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172837050 388411910 /nfs/dbraw/zinc/41/19/10/388411910.db2.gz AKTXVBPYKVJGHH-UHFFFAOYSA-N 0 0 248.282 2.006 20 5 BEBDRN CCC1(Nc2ccc([N+](=O)[O-])cn2)CC1 ZINC000296271440 388419955 /nfs/dbraw/zinc/41/99/55/388419955.db2.gz KGJREQCAQWXULQ-UHFFFAOYSA-N 0 0 207.233 2.344 20 5 BEBDRN CC(C)C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000139768422 388575692 /nfs/dbraw/zinc/57/56/92/388575692.db2.gz BDKOHVUICCRHNL-UHFFFAOYSA-N 0 0 222.244 2.214 20 5 BEBDRN CCCCN(CC)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000298839527 388670463 /nfs/dbraw/zinc/67/04/63/388670463.db2.gz GJYSPKNYRYNLSU-UHFFFAOYSA-N 0 0 239.275 2.185 20 5 BEBDRN CC[C@@H](COc1ccc([N+](=O)[O-])cc1)OC ZINC000416890509 388671968 /nfs/dbraw/zinc/67/19/68/388671968.db2.gz STLQUDZJHBLPSP-JTQLQIEISA-N 0 0 225.244 2.399 20 5 BEBDRN CC[C@@H](COc1ccccc1[N+](=O)[O-])OC ZINC000416888081 388672489 /nfs/dbraw/zinc/67/24/89/388672489.db2.gz PNUXDNCNRXGIAN-VIFPVBQESA-N 0 0 225.244 2.399 20 5 BEBDRN CC1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000298930670 388676111 /nfs/dbraw/zinc/67/61/11/388676111.db2.gz DLJLZWLJAIQSAI-SNVBAGLBSA-N 0 0 234.255 2.123 20 5 BEBDRN CC1(C)C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000298937751 388676623 /nfs/dbraw/zinc/67/66/23/388676623.db2.gz FOAIAUSVLLKALL-LLVKDONJSA-N 0 0 248.282 2.052 20 5 BEBDRN O=[N+]([O-])c1ccc(Oc2ncc(F)cn2)cc1 ZINC000446980435 388734121 /nfs/dbraw/zinc/73/41/21/388734121.db2.gz RJZZGQCYVWFEFN-UHFFFAOYSA-N 0 0 235.174 2.316 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)CCCCO)c1 ZINC000276189905 388738664 /nfs/dbraw/zinc/73/86/64/388738664.db2.gz GRZNMJMVQKQSMX-UHFFFAOYSA-N 0 0 238.287 2.112 20 5 BEBDRN CO[C@H](C)[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000276268235 388739300 /nfs/dbraw/zinc/73/93/00/388739300.db2.gz GTGZFZIBVBLEJT-DTWKUNHWSA-N 0 0 239.275 2.134 20 5 BEBDRN Cc1cc[nH]c(=NOCC(C)C)c1[N+](=O)[O-] ZINC000276293780 388740148 /nfs/dbraw/zinc/74/01/48/388740148.db2.gz YYLUCOSLPKJMIN-UHFFFAOYSA-N 0 0 225.248 2.298 20 5 BEBDRN C[C@@H]1C[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000124333622 388745240 /nfs/dbraw/zinc/74/52/40/388745240.db2.gz OEHFEMABHSXWCN-SFYZADRCSA-N 0 0 207.233 2.058 20 5 BEBDRN O=[N+]([O-])c1ccc2[nH]c(N3CCCCC3)nc2c1 ZINC000278496592 388754963 /nfs/dbraw/zinc/75/49/63/388754963.db2.gz QBXDQGZNCZCUHG-UHFFFAOYSA-N 0 0 246.270 2.461 20 5 BEBDRN O=[N+]([O-])c1cnccc1NCc1ccc(O)cc1 ZINC000066809685 388687462 /nfs/dbraw/zinc/68/74/62/388687462.db2.gz ZXIXWXFCBHVDAV-UHFFFAOYSA-N 0 0 245.238 2.308 20 5 BEBDRN CC[C@H](COC)Nc1ccccc1[N+](=O)[O-] ZINC000079710341 388698921 /nfs/dbraw/zinc/69/89/21/388698921.db2.gz AYGUSAQZDXICQN-SECBINFHSA-N 0 0 224.260 2.432 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCC(=O)C2CC2)c1 ZINC000068044352 388707603 /nfs/dbraw/zinc/70/76/03/388707603.db2.gz DYLNMQMKUUZWMB-UHFFFAOYSA-N 0 0 235.239 2.261 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc[nH]c1 ZINC000068227491 388710029 /nfs/dbraw/zinc/71/00/29/388710029.db2.gz SPXJNCIEVICHPS-UHFFFAOYSA-N 0 0 231.211 2.175 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1N1[C@H](C)C[C@@H]1C ZINC000530431590 388713176 /nfs/dbraw/zinc/71/31/76/388713176.db2.gz DXSDHKAGHBKHDD-OCAPTIKFSA-N 0 0 238.291 2.107 20 5 BEBDRN CCCCCNc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301938810 388714861 /nfs/dbraw/zinc/71/48/61/388714861.db2.gz SSLORSOCZUKSJH-UHFFFAOYSA-N 0 0 249.274 2.240 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CCC[C@@H]2C2CC2)s1 ZINC000375587607 388719104 /nfs/dbraw/zinc/71/91/04/388719104.db2.gz ZPDJIGVOXCCMGI-MRVPVSSYSA-N 0 0 239.300 2.430 20 5 BEBDRN CC(C)CCCn1cccc([N+](=O)[O-])c1=O ZINC000428071449 388719799 /nfs/dbraw/zinc/71/97/99/388719799.db2.gz RPAAXTDTHXLMBG-UHFFFAOYSA-N 0 0 224.260 2.193 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC2(C1)CCCOC2 ZINC000377161994 388724370 /nfs/dbraw/zinc/72/43/70/388724370.db2.gz OXOKDROPLJZDPO-UHFFFAOYSA-N 0 0 248.282 2.212 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(OCc2ccno2)c1 ZINC000533228938 388724738 /nfs/dbraw/zinc/72/47/38/388724738.db2.gz LALFWGGNBLQNTC-UHFFFAOYSA-N 0 0 238.174 2.301 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCCOC1 ZINC000070073051 388728747 /nfs/dbraw/zinc/72/87/47/388728747.db2.gz WNRNRZQPDNVMHX-SECBINFHSA-N 0 0 240.234 2.325 20 5 BEBDRN Cc1ccc(NCCC(C)(C)O)c([N+](=O)[O-])c1 ZINC000274731552 388733278 /nfs/dbraw/zinc/73/32/78/388733278.db2.gz CCEJLTWBIAEECY-UHFFFAOYSA-N 0 0 238.287 2.476 20 5 BEBDRN CN(CCC1CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000156309492 388803324 /nfs/dbraw/zinc/80/33/24/388803324.db2.gz HINRPDAISXZEPR-UHFFFAOYSA-N 0 0 248.282 2.467 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCF)c(Cl)c1 ZINC000280690106 388785235 /nfs/dbraw/zinc/78/52/35/388785235.db2.gz FPMQXEKPJJDCBE-UHFFFAOYSA-N 0 0 219.603 2.025 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1CNCCF ZINC000280685752 388785567 /nfs/dbraw/zinc/78/55/67/388785567.db2.gz NTWZIIMSQUITMS-UHFFFAOYSA-N 0 0 232.642 2.307 20 5 BEBDRN CC(C)C[C@@H](C)Cn1cnc([N+](=O)[O-])c1 ZINC000280896796 388787019 /nfs/dbraw/zinc/78/70/19/388787019.db2.gz DKDDINJTEOFOSH-SECBINFHSA-N 0 0 211.265 2.474 20 5 BEBDRN O=C(NCC1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000193181290 388788454 /nfs/dbraw/zinc/78/84/54/388788454.db2.gz CHBWEYDNLPVCCL-UHFFFAOYSA-N 0 0 235.243 2.126 20 5 BEBDRN CCCCCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000096548091 388823028 /nfs/dbraw/zinc/82/30/28/388823028.db2.gz HDOLGXFKTXROPB-UHFFFAOYSA-N 0 0 224.260 2.255 20 5 BEBDRN Nc1ccc(N2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000283726210 388824918 /nfs/dbraw/zinc/82/49/18/388824918.db2.gz GZZYSJILYOQIGK-NXEZZACHSA-N 0 0 247.298 2.413 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC1(C)C ZINC000299334116 388837947 /nfs/dbraw/zinc/83/79/47/388837947.db2.gz HVRPAVLNKKPHPM-LLVKDONJSA-N 0 0 248.282 2.432 20 5 BEBDRN CC(=O)[C@H](C)Sc1ncccc1[N+](=O)[O-] ZINC000194661855 388861657 /nfs/dbraw/zinc/86/16/57/388861657.db2.gz MDLLWFAATKRSMB-ZETCQYMHSA-N 0 0 226.257 2.059 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCCCO2)cc1 ZINC000275999690 132205521 /nfs/dbraw/zinc/20/55/21/132205521.db2.gz GYHNWWAIKKINJP-UHFFFAOYSA-N 0 0 208.217 2.127 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000270884236 132198011 /nfs/dbraw/zinc/19/80/11/132198011.db2.gz FGNFPLRLIMUYIF-ZJUUUORDSA-N 0 0 235.287 2.472 20 5 BEBDRN C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)[C@@H]1C ZINC000273658618 132202278 /nfs/dbraw/zinc/20/22/78/132202278.db2.gz VSRAOBHDPIIKQJ-RKDXNWHRSA-N 0 0 236.275 2.010 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CCCCO1 ZINC000276091311 132206272 /nfs/dbraw/zinc/20/62/72/132206272.db2.gz WGDMBDPNHDTWCN-UHFFFAOYSA-N 0 0 208.217 2.127 20 5 BEBDRN C[C@H]1CN(c2ccccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000298294252 132222121 /nfs/dbraw/zinc/22/21/21/132222121.db2.gz IVVFNTHHVLVPED-UWVGGRQHSA-N 0 0 236.271 2.208 20 5 BEBDRN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)[C@@H](C)CO1 ZINC000298309147 132222176 /nfs/dbraw/zinc/22/21/76/132222176.db2.gz NZIXVSWAAQEMPO-UWVGGRQHSA-N 0 0 236.271 2.208 20 5 BEBDRN CC1=C[C@@H](C)CN(c2ccncc2[N+](=O)[O-])C1 ZINC000340860772 132225408 /nfs/dbraw/zinc/22/54/08/132225408.db2.gz CHPNJLXKRHYAJN-SECBINFHSA-N 0 0 233.271 2.392 20 5 BEBDRN CC1=C[C@H](C)CN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000362376310 132281264 /nfs/dbraw/zinc/28/12/64/132281264.db2.gz QJJSHKYRDVTDLF-VIFPVBQESA-N 0 0 233.271 2.392 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CCO[C@@H](C2CC2)C1 ZINC000372266476 132285809 /nfs/dbraw/zinc/28/58/09/132285809.db2.gz GESDSDVFYHLDMH-CYBMUJFWSA-N 0 0 248.282 2.210 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CCO[C@H](C2CC2)C1 ZINC000372266477 132286101 /nfs/dbraw/zinc/28/61/01/132286101.db2.gz GESDSDVFYHLDMH-ZDUSSCGKSA-N 0 0 248.282 2.210 20 5 BEBDRN Cc1cc(N2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000374091051 132287013 /nfs/dbraw/zinc/28/70/13/132287013.db2.gz HJYBCQIWMOFFNV-TXEJJXNPSA-N 0 0 248.282 2.271 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N1C[C@H]2CC[C@@H](C1)O2 ZINC000374090808 132287081 /nfs/dbraw/zinc/28/70/81/132287081.db2.gz FYKCPMGEGQJBSP-PHIMTYICSA-N 0 0 248.282 2.271 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC3CCC2CC3)nc1 ZINC000378418550 132290168 /nfs/dbraw/zinc/29/01/68/132290168.db2.gz QUVFASBEDWPREG-UHFFFAOYSA-N 0 0 233.271 2.369 20 5 BEBDRN C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000019645544 132293045 /nfs/dbraw/zinc/29/30/45/132293045.db2.gz PTKIXERGSATGCI-SECBINFHSA-N 0 0 221.260 2.226 20 5 BEBDRN CCC(=O)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000001512533 132314198 /nfs/dbraw/zinc/31/41/98/132314198.db2.gz KMSBSEKZLHPVEU-UHFFFAOYSA-N 0 0 234.255 2.284 20 5 BEBDRN Cc1cc(N2CCC(=O)CC2)ccc1[N+](=O)[O-] ZINC000035277187 132337899 /nfs/dbraw/zinc/33/78/99/132337899.db2.gz CJUQWBKYZDIVRR-UHFFFAOYSA-N 0 0 234.255 2.073 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(Nc2cnn(C)c2)c1 ZINC000084726294 133914291 /nfs/dbraw/zinc/91/42/91/133914291.db2.gz GKNANESRSFBMAK-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Cc1cccc(C(=O)N[C@@H]2CC[C@@H]2C)c1[N+](=O)[O-] ZINC000335948816 134021042 /nfs/dbraw/zinc/02/10/42/134021042.db2.gz HONHOBXYSYTFOR-GZMMTYOYSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1[C@@H]1C=CCCC1 ZINC000335952800 134022164 /nfs/dbraw/zinc/02/21/64/134022164.db2.gz DGFXEMXQHVUWJD-SECBINFHSA-N 0 0 207.233 2.381 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCC(F)(F)F)s1 ZINC000226772571 134368948 /nfs/dbraw/zinc/36/89/48/134368948.db2.gz YJNULAFFBYUVFV-UHFFFAOYSA-N 0 0 241.194 2.416 20 5 BEBDRN Cc1cc(N2CCC[C@H](F)C2)ncc1[N+](=O)[O-] ZINC000408107220 134392975 /nfs/dbraw/zinc/39/29/75/134392975.db2.gz MZVVBFAKMOKCNI-VIFPVBQESA-N 0 0 239.250 2.237 20 5 BEBDRN C[C@@H]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cn1 ZINC000230696336 134531661 /nfs/dbraw/zinc/53/16/61/134531661.db2.gz NMDZBNAVSBSSKD-RKDXNWHRSA-N 0 0 236.275 2.233 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OCC[C@@H](C)O ZINC000134064674 134700252 /nfs/dbraw/zinc/70/02/52/134700252.db2.gz WGLUUAIZMCDISW-SECBINFHSA-N 0 0 225.244 2.053 20 5 BEBDRN CSC[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000078665277 135131445 /nfs/dbraw/zinc/13/14/45/135131445.db2.gz LWVHUKVEDPMRGJ-QMMMGPOBSA-N 0 0 241.316 2.462 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2C[C@@H]2C(F)F)s1 ZINC000348231255 136061059 /nfs/dbraw/zinc/06/10/59/136061059.db2.gz YVEZGXQTCSYAOL-IUYQGCFVSA-N 0 0 235.215 2.117 20 5 BEBDRN CC1(Cn2cc([N+](=O)[O-])cc(F)c2=O)CCC1 ZINC000335341347 136064339 /nfs/dbraw/zinc/06/43/39/136064339.db2.gz IKHOPBFLHOTFQQ-UHFFFAOYSA-N 0 0 240.234 2.086 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1N1CC[C@H](F)C1 ZINC000335401661 136094731 /nfs/dbraw/zinc/09/47/31/136094731.db2.gz YRMXDKXHBSTJQZ-ZETCQYMHSA-N 0 0 228.198 2.282 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC1 ZINC000335566306 136107834 /nfs/dbraw/zinc/10/78/34/136107834.db2.gz GLMVLSCNQIOWJJ-UHFFFAOYSA-N 0 0 248.282 2.448 20 5 BEBDRN C[C@@H](CNc1ccc([N+](=O)[O-])cn1)C(F)(F)F ZINC000355785199 397972089 /nfs/dbraw/zinc/97/20/89/397972089.db2.gz QGZQEXPBUMVQCI-LURJTMIESA-N 0 0 249.192 2.022 20 5 BEBDRN CC/C=C\CCn1ccc(C)c([N+](=O)[O-])c1=O ZINC000341660727 398055164 /nfs/dbraw/zinc/05/51/64/398055164.db2.gz DJJZUKAFQGPTAH-PLNGDYQASA-N 0 0 236.271 2.421 20 5 BEBDRN COCC1(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000569517385 398116612 /nfs/dbraw/zinc/11/66/12/398116612.db2.gz FFFCYKDGQKSIIQ-UHFFFAOYSA-N 0 0 236.271 2.494 20 5 BEBDRN O=[N+]([O-])c1cn(CC2CCC2)nc1C1CC1 ZINC000195045655 398131083 /nfs/dbraw/zinc/13/10/83/398131083.db2.gz VPEWAMZYVZARPM-UHFFFAOYSA-N 0 0 221.260 2.469 20 5 BEBDRN O=C1CC(Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000085503815 1172884647 /nfs/dbraw/zinc/88/46/47/1172884647.db2.gz KHJPPZPOKATNAI-UHFFFAOYSA-N 0 0 241.630 2.359 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC2CC(=O)C2)c1 ZINC000085505170 1172891318 /nfs/dbraw/zinc/89/13/18/1172891318.db2.gz GEZIQGAAVFRQPP-UHFFFAOYSA-N 0 0 221.212 2.014 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC/C=C\Cl)n1 ZINC001651494806 1172955966 /nfs/dbraw/zinc/95/59/66/1172955966.db2.gz AYIBRQMSZCMHDB-DJWKRKHSSA-N 0 0 227.651 2.463 20 5 BEBDRN Cc1cc(Cn2cnc([N+](=O)[O-])c2)cs1 ZINC001651745997 1172981773 /nfs/dbraw/zinc/98/17/73/1172981773.db2.gz LFVBXUODAXCQDJ-UHFFFAOYSA-N 0 0 223.257 2.210 20 5 BEBDRN CCN(CC)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000067019071 169760226 /nfs/dbraw/zinc/76/02/26/169760226.db2.gz QYLLUWUQFPBFQX-UHFFFAOYSA-N 0 0 236.271 2.385 20 5 BEBDRN CC(C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360687 167035616 /nfs/dbraw/zinc/03/56/16/167035616.db2.gz ODGLFBUTXMWNOA-UHFFFAOYSA-N 0 0 231.255 2.385 20 5 BEBDRN CC(C)[C@@H](C)N(C)c1ncccc1[N+](=O)[O-] ZINC000264945788 167371267 /nfs/dbraw/zinc/37/12/67/167371267.db2.gz VHGTXNYCSNVSDF-SECBINFHSA-N 0 0 223.276 2.471 20 5 BEBDRN CC(C)[C@@H](C)Nc1ncccc1[N+](=O)[O-] ZINC000020305719 167386978 /nfs/dbraw/zinc/38/69/78/167386978.db2.gz KGNRQSKBFPSMFC-MRVPVSSYSA-N 0 0 209.249 2.446 20 5 BEBDRN CC1(CNc2ccc(F)cc2[N+](=O)[O-])COC1 ZINC000112695897 168047827 /nfs/dbraw/zinc/04/78/27/168047827.db2.gz XNXFDTMSVGQNEU-UHFFFAOYSA-N 0 0 240.234 2.182 20 5 BEBDRN CC1(C)[C@@H]2CN(c3ccc(N)cc3[N+](=O)[O-])C[C@@H]21 ZINC000283788214 168013304 /nfs/dbraw/zinc/01/33/04/168013304.db2.gz ROQNOQLPZKXZEP-AOOOYVTPSA-N 0 0 247.298 2.269 20 5 BEBDRN CC1(C)[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000266215400 168013709 /nfs/dbraw/zinc/01/37/09/168013709.db2.gz GVDSVCOOWCIXPC-AOOOYVTPSA-N 0 0 233.271 2.082 20 5 BEBDRN CC1(NC(=O)Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000125102460 168056570 /nfs/dbraw/zinc/05/65/70/168056570.db2.gz CYNCGORLNNSNSW-UHFFFAOYSA-N 0 0 248.282 2.196 20 5 BEBDRN CCC(=O)COc1ccc(C)cc1[N+](=O)[O-] ZINC000050181628 168209471 /nfs/dbraw/zinc/20/94/71/168209471.db2.gz BIUHBNPNEUDEMT-UHFFFAOYSA-N 0 0 223.228 2.261 20 5 BEBDRN CCC(=O)COc1cccc(C)c1[N+](=O)[O-] ZINC000050181597 168210101 /nfs/dbraw/zinc/21/01/01/168210101.db2.gz LHQGATGGUSZLFH-UHFFFAOYSA-N 0 0 223.228 2.261 20 5 BEBDRN CCC(=O)COc1cccc([N+](=O)[O-])c1C ZINC000050181591 168210679 /nfs/dbraw/zinc/21/06/79/168210679.db2.gz GMGFDHORFUPPOF-UHFFFAOYSA-N 0 0 223.228 2.261 20 5 BEBDRN CCC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271824558 168239211 /nfs/dbraw/zinc/23/92/11/168239211.db2.gz QROUMQMLILFPKJ-MRVPVSSYSA-N 0 0 222.244 2.182 20 5 BEBDRN CCC(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000282433834 168241386 /nfs/dbraw/zinc/24/13/86/168241386.db2.gz UOOWYGDVXKXCGW-UHFFFAOYSA-N 0 0 226.207 2.391 20 5 BEBDRN CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296901188 170084503 /nfs/dbraw/zinc/08/45/03/170084503.db2.gz XVQCLTWBAFSZLH-UHFFFAOYSA-N 0 0 241.222 2.184 20 5 BEBDRN CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000093900855 170100499 /nfs/dbraw/zinc/10/04/99/170100499.db2.gz ZVIWFKZVESGXLX-UHFFFAOYSA-N 0 0 236.271 2.270 20 5 BEBDRN O=[N+]([O-])c1cccc(O)c1O[C@H]1C=CCC1 ZINC001226334014 974862766 /nfs/dbraw/zinc/86/27/66/974862766.db2.gz QIXCXMABSSFRNZ-QMMMGPOBSA-N 0 0 221.212 2.398 20 5 BEBDRN CCOC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000035333382 170293226 /nfs/dbraw/zinc/29/32/26/170293226.db2.gz FVZPBIWSZFFVPF-UHFFFAOYSA-N 0 0 223.228 2.388 20 5 BEBDRN CCOCCCNc1ccc([N+](=O)[O-])cc1 ZINC000019230447 170383675 /nfs/dbraw/zinc/38/36/75/170383675.db2.gz UYJSGPIYTGTHRM-UHFFFAOYSA-N 0 0 224.260 2.433 20 5 BEBDRN CCOCCCNc1ccc([N+](=O)[O-])c(C)n1 ZINC000161497362 170383693 /nfs/dbraw/zinc/38/36/93/170383693.db2.gz ZHUQMIJYZUBBGR-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN CCOc1cc(-n2ccnc2)ccc1[N+](=O)[O-] ZINC000111551583 170515120 /nfs/dbraw/zinc/51/51/20/170515120.db2.gz FPWOFWDAUPNKJF-UHFFFAOYSA-N 0 0 233.227 2.179 20 5 BEBDRN CC[C@@H]1CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000340694113 170984727 /nfs/dbraw/zinc/98/47/27/170984727.db2.gz BXUXZKUMWUVYEV-SECBINFHSA-N 0 0 221.260 2.369 20 5 BEBDRN CC[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000361045875 171015090 /nfs/dbraw/zinc/01/50/90/171015090.db2.gz ZAEYEVYASDHMOP-SECBINFHSA-N 0 0 221.260 2.226 20 5 BEBDRN CC[C@@H]1C[C@@H]1Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000310079876 171123171 /nfs/dbraw/zinc/12/31/71/171123171.db2.gz CIDJEJAISHIHTE-BDAKNGLRSA-N 0 0 238.291 2.330 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000281879734 171134220 /nfs/dbraw/zinc/13/42/20/171134220.db2.gz VKMKXXHKSNWNNA-MWLCHTKSSA-N 0 0 248.282 2.052 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000281799704 171141199 /nfs/dbraw/zinc/14/11/99/171141199.db2.gz MMSSTIYIURIXKW-LDYMZIIASA-N 0 0 234.255 2.123 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000281773732 171141379 /nfs/dbraw/zinc/14/13/79/171141379.db2.gz JUQFQSONVQNIRO-MWLCHTKSSA-N 0 0 248.282 2.432 20 5 BEBDRN CC[C@H](C)CN(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000110331413 171271946 /nfs/dbraw/zinc/27/19/46/171271946.db2.gz NTGFRVCGDJQSGP-QMMMGPOBSA-N 0 0 240.259 2.306 20 5 BEBDRN CC[C@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000037669426 171336122 /nfs/dbraw/zinc/33/61/22/171336122.db2.gz YWQRLMMFYWQEJM-ZETCQYMHSA-N 0 0 240.234 2.262 20 5 BEBDRN CC[C@H](C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000264849449 171378130 /nfs/dbraw/zinc/37/81/30/171378130.db2.gz ZKYPJNWACARYBR-CABZTGNLSA-N 0 0 238.287 2.414 20 5 BEBDRN CC[C@H](CNc1ccc([N+](=O)[O-])c(C)n1)OC ZINC000290763595 171441565 /nfs/dbraw/zinc/44/15/65/171441565.db2.gz UNXQHAPTRPGHDB-SECBINFHSA-N 0 0 239.275 2.135 20 5 BEBDRN CC[C@H](O)CCNc1sccc1[N+](=O)[O-] ZINC000301998806 171563948 /nfs/dbraw/zinc/56/39/48/171563948.db2.gz IIOHEVUWGVPFPP-ZETCQYMHSA-N 0 0 230.289 2.229 20 5 BEBDRN CC[C@H](O)COc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290200461 171579070 /nfs/dbraw/zinc/57/90/70/171579070.db2.gz SLNBJHDIDFBSLM-ZETCQYMHSA-N 0 0 245.662 2.398 20 5 BEBDRN CC[C@](C)(O)CNc1c(C)cccc1[N+](=O)[O-] ZINC000096482994 171704750 /nfs/dbraw/zinc/70/47/50/171704750.db2.gz WXFNCFQKWMZKDS-LBPRGKRZSA-N 0 0 238.287 2.476 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NOCC(C)C ZINC000280039811 172248938 /nfs/dbraw/zinc/24/89/38/172248938.db2.gz ATAFBMSRUWGQAE-UHFFFAOYSA-N 0 0 242.279 2.119 20 5 BEBDRN CN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CC1(C)C ZINC000336365800 172341217 /nfs/dbraw/zinc/34/12/17/172341217.db2.gz JUUSMUVAWVRWEV-QMMMGPOBSA-N 0 0 238.243 2.058 20 5 BEBDRN CN(C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000301569840 172818357 /nfs/dbraw/zinc/81/83/57/172818357.db2.gz KPMCWFUHTUANNB-JTQLQIEISA-N 0 0 236.271 2.068 20 5 BEBDRN COCC(C)(C)CNc1ncc([N+](=O)[O-])s1 ZINC000291906455 174076725 /nfs/dbraw/zinc/07/67/25/174076725.db2.gz QJWYRUMNCPJVLS-UHFFFAOYSA-N 0 0 245.304 2.136 20 5 BEBDRN COCCCCNc1cccc([N+](=O)[O-])c1 ZINC000044349168 174205599 /nfs/dbraw/zinc/20/55/99/174205599.db2.gz QYBSXUDTMLLGCE-UHFFFAOYSA-N 0 0 224.260 2.433 20 5 BEBDRN COCCCCOc1ccccc1[N+](=O)[O-] ZINC000114095863 174206165 /nfs/dbraw/zinc/20/61/65/174206165.db2.gz AQMDKYOQZJICME-UHFFFAOYSA-N 0 0 225.244 2.400 20 5 BEBDRN COCCCNc1c(C)cccc1[N+](=O)[O-] ZINC000112208812 174251425 /nfs/dbraw/zinc/25/14/25/174251425.db2.gz WBNUBWNEOYFHMD-UHFFFAOYSA-N 0 0 224.260 2.352 20 5 BEBDRN COCCCNc1cc(C)ccc1[N+](=O)[O-] ZINC000084726229 174251538 /nfs/dbraw/zinc/25/15/38/174251538.db2.gz BHIAKMZFXXYPNT-UHFFFAOYSA-N 0 0 224.260 2.352 20 5 BEBDRN COCCCOc1ccc([N+](=O)[O-])c(F)c1F ZINC000295664346 174257029 /nfs/dbraw/zinc/25/70/29/174257029.db2.gz AQTUOMCGXHOSDA-UHFFFAOYSA-N 0 0 247.197 2.288 20 5 BEBDRN COCCOc1cccc(Cl)c1[N+](=O)[O-] ZINC000132688423 174369588 /nfs/dbraw/zinc/36/95/88/174369588.db2.gz UBXDKBTYDJOAQN-UHFFFAOYSA-N 0 0 231.635 2.273 20 5 BEBDRN COC[C@@H](C)Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000129753371 174462844 /nfs/dbraw/zinc/46/28/44/174462844.db2.gz GOTOZADYGFFNNJ-ZCFIWIBFSA-N 0 0 245.666 2.090 20 5 BEBDRN CO[C@@H](C)CCNc1ncc(C)cc1[N+](=O)[O-] ZINC000266175113 174691341 /nfs/dbraw/zinc/69/13/41/174691341.db2.gz AMVSDZXWRYJBIB-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN CO[C@@H](C)CN(C)c1c(C)cccc1[N+](=O)[O-] ZINC000286221693 174695634 /nfs/dbraw/zinc/69/56/34/174695634.db2.gz BULYAIIDNWBIAT-JTQLQIEISA-N 0 0 238.287 2.374 20 5 BEBDRN CO[C@@H](C)CNc1ccc([N+](=O)[O-])cc1C ZINC000224330635 174707358 /nfs/dbraw/zinc/70/73/58/174707358.db2.gz OFLZAASRHHMWFW-VIFPVBQESA-N 0 0 224.260 2.350 20 5 BEBDRN CO[C@H](C)CN(C)c1cccc(C)c1[N+](=O)[O-] ZINC000286418041 174825478 /nfs/dbraw/zinc/82/54/78/174825478.db2.gz OKUGTPXTPUDBAB-SNVBAGLBSA-N 0 0 238.287 2.374 20 5 BEBDRN CO[C@H](C)COc1cc(F)ccc1[N+](=O)[O-] ZINC000164017114 174837788 /nfs/dbraw/zinc/83/77/88/174837788.db2.gz HXFPRYMWUGSJSD-SSDOTTSWSA-N 0 0 229.207 2.148 20 5 BEBDRN CO[C@H](Cn1cnc([N+](=O)[O-])c1)c1ccccc1 ZINC000282616760 174872245 /nfs/dbraw/zinc/87/22/45/174872245.db2.gz IBFFRTPHSUEHDB-LLVKDONJSA-N 0 0 247.254 2.179 20 5 BEBDRN COc1cc(NCCF)c(F)cc1[N+](=O)[O-] ZINC000280743072 175002321 /nfs/dbraw/zinc/00/23/21/175002321.db2.gz LMQVKYSAHMXQDC-UHFFFAOYSA-N 0 0 232.186 2.124 20 5 BEBDRN COc1cc(OCSC)ccc1[N+](=O)[O-] ZINC000292571549 175011888 /nfs/dbraw/zinc/01/18/88/175011888.db2.gz DZSXNUPCEMYYCY-UHFFFAOYSA-N 0 0 229.257 2.303 20 5 BEBDRN COc1cc(OC[C@H](C)OC)ccc1[N+](=O)[O-] ZINC000280039515 175012300 /nfs/dbraw/zinc/01/23/00/175012300.db2.gz WURFPCKVUNTXEM-QMMMGPOBSA-N 0 0 241.243 2.017 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1OCSC ZINC000292697451 175018780 /nfs/dbraw/zinc/01/87/80/175018780.db2.gz QIWZTYRMVXYCJH-UHFFFAOYSA-N 0 0 229.257 2.303 20 5 BEBDRN COc1cc([N+](=O)[O-])ccc1OCCSC ZINC000134216398 175018940 /nfs/dbraw/zinc/01/89/40/175018940.db2.gz KWTJZMLNLFZEDN-UHFFFAOYSA-N 0 0 243.284 2.345 20 5 BEBDRN C[C@@H](CCC1CC1)Nc1c([N+](=O)[O-])ncn1C ZINC000346194570 175662769 /nfs/dbraw/zinc/66/27/69/175662769.db2.gz ZQUJLBAYKOSAGZ-QMMMGPOBSA-N 0 0 238.291 2.319 20 5 BEBDRN C[C@@H](CO)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000050351915 175758589 /nfs/dbraw/zinc/75/85/89/175758589.db2.gz CNZVKNYEQQDIHC-LURJTMIESA-N 0 0 230.651 2.041 20 5 BEBDRN C[C@@H](CO)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000077227751 175761004 /nfs/dbraw/zinc/76/10/04/175761004.db2.gz SWLWONVMXJOUNW-JGVFFNPUSA-N 0 0 242.250 2.163 20 5 BEBDRN C[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000104609290 176150016 /nfs/dbraw/zinc/15/00/16/176150016.db2.gz KAVXEQLWDBADOE-HTQZYQBOSA-N 0 0 238.243 2.106 20 5 BEBDRN C[C@@H]1CC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000306745408 176217693 /nfs/dbraw/zinc/21/76/93/176217693.db2.gz CXAZSOPUNKEDCC-RITPCOANSA-N 0 0 213.262 2.262 20 5 BEBDRN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000294148969 176249309 /nfs/dbraw/zinc/24/93/09/176249309.db2.gz OPNTTYDPGJIWIX-NXEZZACHSA-N 0 0 248.282 2.004 20 5 BEBDRN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000267778759 176261217 /nfs/dbraw/zinc/26/12/17/176261217.db2.gz PTUBFXPUUBWKOD-NXEZZACHSA-N 0 0 248.282 2.323 20 5 BEBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000171047825 176318964 /nfs/dbraw/zinc/31/89/64/176318964.db2.gz WNCMZOKJMIZIFO-SNVBAGLBSA-N 0 0 236.271 2.210 20 5 BEBDRN C[C@@H]1COCC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000277733956 176345255 /nfs/dbraw/zinc/34/52/55/176345255.db2.gz TXVAVHAYCCJAOR-BXKDBHETSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@@H]1C[C@@H]1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000075527976 176398365 /nfs/dbraw/zinc/39/83/65/176398365.db2.gz DMLLGPLCCCYNQW-KUCBXDRKSA-N 0 0 246.266 2.133 20 5 BEBDRN C[C@H](CO)CSCc1ccc([N+](=O)[O-])cc1 ZINC000084211669 176695977 /nfs/dbraw/zinc/69/59/77/176695977.db2.gz PUAXAYVXQNARAP-SECBINFHSA-N 0 0 241.312 2.456 20 5 BEBDRN C[C@H](Nc1ccc([N+](=O)[O-])cn1)C1CC1 ZINC000035135039 176934340 /nfs/dbraw/zinc/93/43/40/176934340.db2.gz HGPAXEKMWCBICJ-ZETCQYMHSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@H](O)CCCOc1ccc(F)cc1[N+](=O)[O-] ZINC000310439042 176956503 /nfs/dbraw/zinc/95/65/03/176956503.db2.gz RYMLUDRUSFOIDK-QMMMGPOBSA-N 0 0 243.234 2.274 20 5 BEBDRN C[C@@H](CNc1sccc1[N+](=O)[O-])C[C@H](C)O ZINC000302045491 176996042 /nfs/dbraw/zinc/99/60/42/176996042.db2.gz XYFUNSBTDKIDLH-SFYZADRCSA-N 0 0 244.316 2.475 20 5 BEBDRN C[C@H](O)[C@H](C)Sc1ccccc1[N+](=O)[O-] ZINC000085486033 177013058 /nfs/dbraw/zinc/01/30/58/177013058.db2.gz IPWXBOGBRAVPKK-YUMQZZPRSA-N 0 0 227.285 2.456 20 5 BEBDRN C[C@H]1CCCCN1c1ncc([N+](=O)[O-])s1 ZINC000195505324 177079167 /nfs/dbraw/zinc/07/91/67/177079167.db2.gz FUPMRFQUIOPZKK-ZETCQYMHSA-N 0 0 227.289 2.430 20 5 BEBDRN C[C@H]1CCC[C@H](Cn2ncc([N+](=O)[O-])c2N)C1 ZINC000089610452 177134496 /nfs/dbraw/zinc/13/44/96/177134496.db2.gz NHMKDXZBWDKVHU-IUCAKERBSA-N 0 0 238.291 2.200 20 5 BEBDRN C[C@H]1CCN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000177115666 177154502 /nfs/dbraw/zinc/15/45/02/177154502.db2.gz HGHWUMJBWCBBBW-UWVGGRQHSA-N 0 0 248.282 2.465 20 5 BEBDRN C[C@@H]1[C@@H](C)CCN1c1ncccc1[N+](=O)[O-] ZINC000267575975 177172817 /nfs/dbraw/zinc/17/28/17/177172817.db2.gz AWBFSXOLKBUJAP-DTWKUNHWSA-N 0 0 221.260 2.225 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000294065372 177228491 /nfs/dbraw/zinc/22/84/91/177228491.db2.gz LEYINSOIYUKUER-DTWKUNHWSA-N 0 0 234.255 2.075 20 5 BEBDRN C[C@H]1CN(c2ccc(N)cc2[N+](=O)[O-])C[C@@H]1C ZINC000288556788 177277635 /nfs/dbraw/zinc/27/76/35/177277635.db2.gz VYTIQAQAYODLAI-IUCAKERBSA-N 0 0 235.287 2.269 20 5 BEBDRN C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000177115720 177426862 /nfs/dbraw/zinc/42/68/62/177426862.db2.gz MEBPERYVMROCKV-ZJUUUORDSA-N 0 0 248.282 2.465 20 5 BEBDRN C[C@H]1C[C@H](Nc2sccc2[N+](=O)[O-])CO1 ZINC000591994342 487802514 /nfs/dbraw/zinc/80/25/14/487802514.db2.gz KIXFOLVPCFBIJN-BQBZGAKWSA-N 0 0 228.273 2.246 20 5 BEBDRN C[C@@H](COC(=O)CCC(C)(C)C)[N+](=O)[O-] ZINC000813114166 586594067 /nfs/dbraw/zinc/59/40/67/586594067.db2.gz ZKAFKVPOKQVMCM-QMMMGPOBSA-N 0 0 217.265 2.021 20 5 BEBDRN Cc1nc(COc2cccc([N+](=O)[O-])c2)co1 ZINC000559629095 322978776 /nfs/dbraw/zinc/97/87/76/322978776.db2.gz GTYUQNVTDSMONQ-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN CCO[C@@H]1C[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC000562534631 323023162 /nfs/dbraw/zinc/02/31/62/323023162.db2.gz YYLBVVMNEWPIPW-MWLCHTKSSA-N 0 0 240.234 2.323 20 5 BEBDRN CC1=CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000570421273 323059039 /nfs/dbraw/zinc/05/90/39/323059039.db2.gz OFVMUCKMHCCMRU-UHFFFAOYSA-N 0 0 237.234 2.285 20 5 BEBDRN COc1ccc(C[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000047914416 323072027 /nfs/dbraw/zinc/07/20/27/323072027.db2.gz XAZRDVSKMIBPDQ-UHFFFAOYSA-N 0 0 236.271 2.198 20 5 BEBDRN CCC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cn1 ZINC000160350445 323075415 /nfs/dbraw/zinc/07/54/15/323075415.db2.gz LYCKQLIQHOMEOV-ZETCQYMHSA-N 0 0 240.284 2.450 20 5 BEBDRN Cc1cnc(CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000572119653 323542361 /nfs/dbraw/zinc/54/23/61/323542361.db2.gz PAEAJNFGFAZWGQ-UHFFFAOYSA-N 0 0 246.270 2.046 20 5 BEBDRN CCOC[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000161536118 323544830 /nfs/dbraw/zinc/54/48/30/323544830.db2.gz HWVNDAKKXRGUTD-QMMMGPOBSA-N 0 0 239.275 2.135 20 5 BEBDRN Cc1nnc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000539199999 324828171 /nfs/dbraw/zinc/82/81/71/324828171.db2.gz RSNNBARMUNUNKY-SSDOTTSWSA-N 0 0 248.242 2.459 20 5 BEBDRN CC(C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000128556737 324853180 /nfs/dbraw/zinc/85/31/80/324853180.db2.gz UXOPONXHTBLVHZ-UHFFFAOYSA-N 0 0 240.234 2.214 20 5 BEBDRN C[C@H]1C[C@@H]1c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000545058266 325173636 /nfs/dbraw/zinc/17/36/36/325173636.db2.gz VWCOVFKNMVRGQP-WDSKDSINSA-N 0 0 234.215 2.096 20 5 BEBDRN O=[N+]([O-])c1ccc([O-])cc1C[NH2+]C1(C2CC2)CC1 ZINC000549543387 325506974 /nfs/dbraw/zinc/50/69/74/325506974.db2.gz HRTVEUSLMMDQAD-UHFFFAOYSA-N 0 0 248.282 2.333 20 5 BEBDRN COc1cccc([N+](=O)[O-])c1N(C)CC1CC1 ZINC000554800470 325736764 /nfs/dbraw/zinc/73/67/64/325736764.db2.gz XOBXDBRCBPUPCJ-UHFFFAOYSA-N 0 0 236.271 2.450 20 5 BEBDRN Cc1sc(C(=O)NCCCF)cc1[N+](=O)[O-] ZINC000154399903 326142348 /nfs/dbraw/zinc/14/23/48/326142348.db2.gz ZSTROQMUTIEEBP-UHFFFAOYSA-N 0 0 246.263 2.054 20 5 BEBDRN C[C@@H]1C[C@H](C)N1c1ncc([N+](=O)[O-])cc1F ZINC000567450614 326194761 /nfs/dbraw/zinc/19/47/61/326194761.db2.gz XJZIMADQFVVROF-KNVOCYPGSA-N 0 0 225.223 2.116 20 5 BEBDRN O=[N+]([O-])c1cccc2c1CC[C@@H]2Nc1c[nH]cn1 ZINC000573106577 326430047 /nfs/dbraw/zinc/43/00/47/326430047.db2.gz LQVSZODMKKPARH-JTQLQIEISA-N 0 0 244.254 2.417 20 5 BEBDRN Nc1c(F)c(NCC2CC2)ccc1[N+](=O)[O-] ZINC000274646767 490289419 /nfs/dbraw/zinc/28/94/19/490289419.db2.gz GHDFIWLSDGJCGL-UHFFFAOYSA-N 0 0 225.223 2.138 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC(C)C ZINC000335516684 490306254 /nfs/dbraw/zinc/30/62/54/490306254.db2.gz SBEXPCSBWDYLQF-UHFFFAOYSA-N 0 0 236.271 2.350 20 5 BEBDRN Cc1c(CNC(=O)[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000616489441 491060024 /nfs/dbraw/zinc/06/00/24/491060024.db2.gz XNCPGMKMEWVYPS-LDYMZIIASA-N 0 0 248.282 2.175 20 5 BEBDRN CCN(C[C@H](C)OC)c1ccccc1[N+](=O)[O-] ZINC000292238457 517649002 /nfs/dbraw/zinc/64/90/02/517649002.db2.gz GGAASBWKIUYONP-JTQLQIEISA-N 0 0 238.287 2.456 20 5 BEBDRN Cc1cnc(OCCCCF)c([N+](=O)[O-])c1 ZINC000505577463 534599166 /nfs/dbraw/zinc/59/91/66/534599166.db2.gz WMZPQYZEWOEFCU-UHFFFAOYSA-N 0 0 228.223 2.427 20 5 BEBDRN CC1(C)OCC[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000296422502 535000152 /nfs/dbraw/zinc/00/01/52/535000152.db2.gz XPZNCGKSIBZNAI-ZCFIWIBFSA-N 0 0 243.288 2.031 20 5 BEBDRN CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342872622 535123821 /nfs/dbraw/zinc/12/38/21/535123821.db2.gz NTADRGHUDSQNSW-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN CO[C@@H](C)COc1cccc(C)c1[N+](=O)[O-] ZINC000181040074 536878116 /nfs/dbraw/zinc/87/81/16/536878116.db2.gz SPEDHFSAZNSNBS-VIFPVBQESA-N 0 0 225.244 2.317 20 5 BEBDRN CC[C@@H](C)N(C)c1ncc([N+](=O)[O-])s1 ZINC000192485791 566441123 /nfs/dbraw/zinc/44/11/23/566441123.db2.gz RJWLCKNYOJCOPF-ZCFIWIBFSA-N 0 0 215.278 2.286 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1ccsc1Cl ZINC000853126825 588722101 /nfs/dbraw/zinc/72/21/01/588722101.db2.gz NFYHZSLHUKJTHE-YFKPBYRVSA-N 0 0 249.675 2.224 20 5 BEBDRN Cc1cc(NOCC(C)(C)O)c([N+](=O)[O-])s1 ZINC000853543682 588748276 /nfs/dbraw/zinc/74/82/76/588748276.db2.gz HGEMHCDVTJLJCJ-UHFFFAOYSA-N 0 0 246.288 2.079 20 5 BEBDRN CC1=NO[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000853660334 588753365 /nfs/dbraw/zinc/75/33/65/588753365.db2.gz BTEVMWHTGSIAAY-SECBINFHSA-N 0 0 235.243 2.172 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1C=CCC1 ZINC000853826090 588764950 /nfs/dbraw/zinc/76/49/50/588764950.db2.gz RCDHFTJHAQRZTD-SECBINFHSA-N 0 0 247.254 2.435 20 5 BEBDRN C[C@@]12COC[C@@H]1CN(c1ccc([N+](=O)[O-])cc1)C2 ZINC000853857224 588766048 /nfs/dbraw/zinc/76/60/48/588766048.db2.gz XBVSDVNGQUXCBJ-GXFFZTMASA-N 0 0 248.282 2.068 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H]3C[C@H]3C2)cc1 ZINC000853900760 588767913 /nfs/dbraw/zinc/76/79/13/588767913.db2.gz GNYZLTKLDGBMOU-UWVGGRQHSA-N 0 0 218.256 2.441 20 5 BEBDRN CC(C)OC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000112032916 588780531 /nfs/dbraw/zinc/78/05/31/588780531.db2.gz RXMVJMJYXGUWSL-UHFFFAOYSA-N 0 0 245.181 2.438 20 5 BEBDRN O=C(N[C@H]1C=CCC1)c1ccc([N+](=O)[O-])s1 ZINC000855420351 588832680 /nfs/dbraw/zinc/83/26/80/588832680.db2.gz TZAIXNUVHMFSDO-ZETCQYMHSA-N 0 0 238.268 2.105 20 5 BEBDRN C[C@H]1CC[C@@H](CC(=O)OCCC[N+](=O)[O-])C1 ZINC000860917438 582553606 /nfs/dbraw/zinc/55/36/06/582553606.db2.gz LACXVEJZHPBXOO-VHSXEESVSA-N 0 0 229.276 2.023 20 5 BEBDRN CCC1(C(=O)OC[C@H](C)[N+](=O)[O-])CCCC1 ZINC000813107444 582585305 /nfs/dbraw/zinc/58/53/05/582585305.db2.gz NLBYYGVMRUBMLY-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN C[C@@H](C(=O)OC[C@H](C)[N+](=O)[O-])C1CCCC1 ZINC000813112465 582589621 /nfs/dbraw/zinc/58/96/21/582589621.db2.gz QHEBXTBRYYHPRW-DTWKUNHWSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000845578145 582614292 /nfs/dbraw/zinc/61/42/92/582614292.db2.gz WDDXRYHCUHIQDB-MIMYLULJSA-N 0 0 241.287 2.021 20 5 BEBDRN O=[N+]([O-])c1cnc2ccc(F)cc2c1N1CCC1 ZINC000891670745 582708962 /nfs/dbraw/zinc/70/89/62/582708962.db2.gz KYCOHGKNAYLUCZ-UHFFFAOYSA-N 0 0 247.229 2.492 20 5 BEBDRN O=[N+]([O-])c1cc(NCC2CC2)cc([N+](=O)[O-])c1 ZINC000891677005 582709526 /nfs/dbraw/zinc/70/95/26/582709526.db2.gz DKSWKIREUVNSHI-UHFFFAOYSA-N 0 0 237.215 2.325 20 5 BEBDRN C[C@@H]1CCC[C@@H](Nc2c([N+](=O)[O-])cnn2C)C1 ZINC000891761652 582717407 /nfs/dbraw/zinc/71/74/07/582717407.db2.gz CRGVZUGKSIGZKU-RKDXNWHRSA-N 0 0 238.291 2.319 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NCCC(C)(C)C ZINC000891785846 582720903 /nfs/dbraw/zinc/72/09/03/582720903.db2.gz IGUHPRBWUUDZKM-UHFFFAOYSA-N 0 0 226.280 2.176 20 5 BEBDRN CCCOC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000113710743 588851069 /nfs/dbraw/zinc/85/10/69/588851069.db2.gz WHYLXNGZXIPSCQ-UHFFFAOYSA-N 0 0 227.191 2.301 20 5 BEBDRN O=[N+]([O-])c1c2nonc2ccc1NC1CC=CC1 ZINC000892915756 583009517 /nfs/dbraw/zinc/00/95/17/583009517.db2.gz FNRMOXWUCWNBPB-UHFFFAOYSA-N 0 0 246.226 2.262 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1N1CCC=C(C)C1 ZINC000893663685 583190348 /nfs/dbraw/zinc/19/03/48/583190348.db2.gz KMMKUQYFPIYZDJ-UHFFFAOYSA-N 0 0 249.270 2.155 20 5 BEBDRN CC(C)[C@]1(C)C[C@@H]1Nc1c([N+](=O)[O-])cnn1C ZINC000894160802 583321901 /nfs/dbraw/zinc/32/19/01/583321901.db2.gz CVGNBMWUSDSYIG-ONGXEEELSA-N 0 0 238.291 2.175 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCC(C)(C)C1 ZINC000814038001 583335174 /nfs/dbraw/zinc/33/51/74/583335174.db2.gz KMFIFAQQTJFIDN-BDAKNGLRSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)/C=C/C1CCCCC1 ZINC000814044969 583338976 /nfs/dbraw/zinc/33/89/76/583338976.db2.gz WMJWCIUBVIMMPO-QROSGCPLSA-N 0 0 241.287 2.331 20 5 BEBDRN CCCc1occc1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814046879 583340078 /nfs/dbraw/zinc/34/00/78/583340078.db2.gz PTYFNWHPMFAWOH-MRVPVSSYSA-N 0 0 241.243 2.054 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NCCCC1CCC1 ZINC000894561121 583482402 /nfs/dbraw/zinc/48/24/02/583482402.db2.gz RKGROWDFDXMTQT-UHFFFAOYSA-N 0 0 238.291 2.321 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NCC1CC=CC1 ZINC000894719656 583513050 /nfs/dbraw/zinc/51/30/50/583513050.db2.gz PKHUOJARUYFPOO-UHFFFAOYSA-N 0 0 249.270 2.377 20 5 BEBDRN CC(C)OC1CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000894968423 583560755 /nfs/dbraw/zinc/56/07/55/583560755.db2.gz YDLQVWSIVVEUOI-UHFFFAOYSA-N 0 0 236.271 2.208 20 5 BEBDRN CC/C=C\COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000727047375 583595483 /nfs/dbraw/zinc/59/54/83/583595483.db2.gz QJYWSSPIUSVCIE-PLNGDYQASA-N 0 0 238.243 2.056 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NC[C@]1(C)CC1(C)C ZINC000895134421 583601363 /nfs/dbraw/zinc/60/13/63/583601363.db2.gz XNCCZKYJKRDBFY-NSHDSACASA-N 0 0 238.291 2.176 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NC[C@@]1(C)CC1(C)C ZINC000895134420 583601418 /nfs/dbraw/zinc/60/14/18/583601418.db2.gz XNCCZKYJKRDBFY-LLVKDONJSA-N 0 0 238.291 2.176 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC(=O)CC[C@H]2C)c1 ZINC000896338496 583793020 /nfs/dbraw/zinc/79/30/20/583793020.db2.gz DZXYYKJVXZYRJC-SNVBAGLBSA-N 0 0 248.282 2.461 20 5 BEBDRN C[C@@H]1CCC(=O)CN1c1ccccc1[N+](=O)[O-] ZINC000896345531 583795046 /nfs/dbraw/zinc/79/50/46/583795046.db2.gz SEURCRDCLVNSEV-SECBINFHSA-N 0 0 234.255 2.153 20 5 BEBDRN CCO[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000896409152 583800708 /nfs/dbraw/zinc/80/07/08/583800708.db2.gz JLKWOXAWYRQXFH-JTQLQIEISA-N 0 0 236.271 2.210 20 5 BEBDRN CO[C@H]1CC[C@@H]1N(C)c1ccsc1[N+](=O)[O-] ZINC000897142924 583884090 /nfs/dbraw/zinc/88/40/90/583884090.db2.gz VOMRXAPTOHMXOY-CBAPKCEASA-N 0 0 242.300 2.270 20 5 BEBDRN C[C@@H](OC(=O)Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000729084855 583954319 /nfs/dbraw/zinc/95/43/19/583954319.db2.gz LYPLIGZMDUUJIJ-SECBINFHSA-N 0 0 249.266 2.479 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2COC[C@H]2C2CC2)cc1 ZINC000897442125 583984981 /nfs/dbraw/zinc/98/49/81/583984981.db2.gz RHGYGOVOIUEHCN-STQMWFEESA-N 0 0 248.282 2.432 20 5 BEBDRN O=[N+]([O-])CCSc1ccccc1F ZINC000899860024 584242905 /nfs/dbraw/zinc/24/29/05/584242905.db2.gz GTUYWZGQQYMJEY-UHFFFAOYSA-N 0 0 201.222 2.195 20 5 BEBDRN O=[N+]([O-])CCSc1ccc(Cl)cn1 ZINC000899867909 584243679 /nfs/dbraw/zinc/24/36/79/584243679.db2.gz ZZSLHUMLRUODAI-UHFFFAOYSA-N 0 0 218.665 2.104 20 5 BEBDRN COc1ccccc1SCC[N+](=O)[O-] ZINC000899875833 584245643 /nfs/dbraw/zinc/24/56/43/584245643.db2.gz IWZSLKOMCRDJAQ-UHFFFAOYSA-N 0 0 213.258 2.064 20 5 BEBDRN C[C@H](NC(=O)CCF)c1cccc([N+](=O)[O-])c1 ZINC000900268495 584290926 /nfs/dbraw/zinc/29/09/26/584290926.db2.gz PSLREPXVQZELFL-QMMMGPOBSA-N 0 0 240.234 2.132 20 5 BEBDRN Cc1c(OC(=O)OCCF)cccc1[N+](=O)[O-] ZINC000858911491 588982849 /nfs/dbraw/zinc/98/28/49/588982849.db2.gz OGNLJMMZXGLAEK-UHFFFAOYSA-N 0 0 243.190 2.388 20 5 BEBDRN O=[N+]([O-])c1cccc(CSC2COC2)c1 ZINC000901643133 584474211 /nfs/dbraw/zinc/47/42/11/584474211.db2.gz GMFUAQUWWXEHEX-UHFFFAOYSA-N 0 0 225.269 2.227 20 5 BEBDRN O=[N+]([O-])c1cccc(NC[C@H]2C[C@@]23CCOC3)c1 ZINC000901921385 584504789 /nfs/dbraw/zinc/50/47/89/584504789.db2.gz IIJAPFMTYBYCSQ-ZWNOBZJWSA-N 0 0 248.282 2.433 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@@H]2C[C@]23CCOC3)cc1 ZINC000902117895 584528164 /nfs/dbraw/zinc/52/81/64/584528164.db2.gz XMNNSXDXAFAWRU-GWCFXTLKSA-N 0 0 249.266 2.400 20 5 BEBDRN CC(F)(F)CCCn1cc([N+](=O)[O-])cn1 ZINC000902323301 584559825 /nfs/dbraw/zinc/55/98/25/584559825.db2.gz CEDXUJKNJXGTPH-UHFFFAOYSA-N 0 0 219.191 2.227 20 5 BEBDRN CCOCCOc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000902697047 584654725 /nfs/dbraw/zinc/65/47/25/584654725.db2.gz PYMJUQKTUOQWKY-UHFFFAOYSA-N 0 0 247.197 2.288 20 5 BEBDRN C[C@@H]1CC[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H]1C ZINC000842337794 584892414 /nfs/dbraw/zinc/89/24/14/584892414.db2.gz ISOBCISOWJXDSV-RCZSTQMZSA-N 0 0 241.287 2.020 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)OCCCF ZINC000741445294 584924418 /nfs/dbraw/zinc/92/44/18/584924418.db2.gz PFCIUVAOBYOJFF-UHFFFAOYSA-N 0 0 241.218 2.420 20 5 BEBDRN Cc1cc(C(=O)OCCF)cc([N+](=O)[O-])c1 ZINC000739317615 585063050 /nfs/dbraw/zinc/06/30/50/585063050.db2.gz MZOHSGIZVVTZQE-UHFFFAOYSA-N 0 0 227.191 2.030 20 5 BEBDRN O=C(OCCF)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000739333248 585063746 /nfs/dbraw/zinc/06/37/46/585063746.db2.gz YHJLWMZNSBEYBI-UHFFFAOYSA-N 0 0 247.609 2.375 20 5 BEBDRN CCCCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839499169 585105864 /nfs/dbraw/zinc/10/58/64/585105864.db2.gz XTGBWXKOGXLPAI-GMTAPVOTSA-N 0 0 242.319 2.127 20 5 BEBDRN CCCCCC[C@H](C)NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839499170 585105913 /nfs/dbraw/zinc/10/59/13/585105913.db2.gz XTGBWXKOGXLPAI-HBNTYKKESA-N 0 0 242.319 2.127 20 5 BEBDRN O=C(OCCCF)c1ccc([N+](=O)[O-])cc1 ZINC000741443504 585113587 /nfs/dbraw/zinc/11/35/87/585113587.db2.gz JWVGINRSXZVIQG-UHFFFAOYSA-N 0 0 227.191 2.111 20 5 BEBDRN O=C(OCC1CCC1)c1ccc([N+](=O)[O-])o1 ZINC000744197601 585145896 /nfs/dbraw/zinc/14/58/96/585145896.db2.gz HOHGLOMZMPHFFJ-UHFFFAOYSA-N 0 0 225.200 2.145 20 5 BEBDRN O=C(OCc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000746907291 585173436 /nfs/dbraw/zinc/17/34/36/585173436.db2.gz SQQBCCFXPQOOFN-UHFFFAOYSA-N 0 0 239.202 2.187 20 5 BEBDRN C[C@@H]1CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000749317053 585201262 /nfs/dbraw/zinc/20/12/62/585201262.db2.gz RYHDTWXWWRMDPD-ZCFIWIBFSA-N 0 0 228.198 2.472 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)cc1CN1CC(F)C1 ZINC000753574337 585262202 /nfs/dbraw/zinc/26/22/02/585262202.db2.gz CJNDFRXDWBNAFA-UHFFFAOYSA-N 0 0 244.653 2.402 20 5 BEBDRN CCOCOc1cc([N+](=O)[O-])ccc1C ZINC000758393178 585355690 /nfs/dbraw/zinc/35/56/90/585355690.db2.gz URVNMHJZPMCATN-UHFFFAOYSA-N 0 0 211.217 2.276 20 5 BEBDRN CCOCOc1ccc([N+](=O)[O-])cc1F ZINC000758391578 585355733 /nfs/dbraw/zinc/35/57/33/585355733.db2.gz HTKDBHYLRFJDCA-UHFFFAOYSA-N 0 0 215.180 2.107 20 5 BEBDRN CCOCSc1ccc([N+](=O)[O-])cn1 ZINC000758409795 585355908 /nfs/dbraw/zinc/35/59/08/585355908.db2.gz DOSBNFQTUIMXDG-UHFFFAOYSA-N 0 0 214.246 2.076 20 5 BEBDRN CC[C@H](C)OC(=O)c1cccc([N+](=O)[O-])c1N ZINC000758957029 585363025 /nfs/dbraw/zinc/36/30/25/585363025.db2.gz MIHJWPNYZIHSFQ-ZETCQYMHSA-N 0 0 238.243 2.132 20 5 BEBDRN O=[N+]([O-])c1c(NC2CC=CC2)nc2ccccn21 ZINC000759718578 585379459 /nfs/dbraw/zinc/37/94/59/585379459.db2.gz VIHIBLPGTURVCD-UHFFFAOYSA-N 0 0 244.254 2.373 20 5 BEBDRN O=C(O[C@H]1C=CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000761983962 585423672 /nfs/dbraw/zinc/42/36/72/585423672.db2.gz TWXXPYCMUFYCGM-JTQLQIEISA-N 0 0 248.238 2.255 20 5 BEBDRN O=c1c(Cl)cc([N+](=O)[O-])cn1C/C=C/Cl ZINC000763262759 585445406 /nfs/dbraw/zinc/44/54/06/585445406.db2.gz MVCXHEGYZSDTAA-OWOJBTEDSA-N 0 0 249.053 2.162 20 5 BEBDRN C[C@@H](OC(=O)Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000763273904 585445659 /nfs/dbraw/zinc/44/56/59/585445659.db2.gz AHHGAYKKFWDOSQ-SECBINFHSA-N 0 0 249.266 2.479 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)OCC1CC1 ZINC000763888973 585456213 /nfs/dbraw/zinc/45/62/13/585456213.db2.gz MRVKXYIFMBCDEI-UHFFFAOYSA-N 0 0 235.239 2.470 20 5 BEBDRN C[C@@H](C(=O)OCCF)c1cccc([N+](=O)[O-])c1 ZINC000763991751 585458392 /nfs/dbraw/zinc/45/83/92/585458392.db2.gz FHDCCQQLGOSNHS-MRVPVSSYSA-N 0 0 241.218 2.211 20 5 BEBDRN CC(C)(O)CCNc1ccc(F)c([N+](=O)[O-])c1 ZINC000765944624 585494214 /nfs/dbraw/zinc/49/42/14/585494214.db2.gz DUKBBMWDANDEEQ-UHFFFAOYSA-N 0 0 242.250 2.307 20 5 BEBDRN C/C=C/COC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000769048970 585548230 /nfs/dbraw/zinc/54/82/30/585548230.db2.gz OIFYFOZSDSRUIT-NSCUHMNNSA-N 0 0 237.211 2.033 20 5 BEBDRN CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770011020 585569300 /nfs/dbraw/zinc/56/93/00/585569300.db2.gz YLPCWIHVKILEOG-UHFFFAOYSA-N 0 0 243.650 2.390 20 5 BEBDRN C[C@@H]1COCCN(c2sccc2[N+](=O)[O-])C1 ZINC000775680414 585682992 /nfs/dbraw/zinc/68/29/92/585682992.db2.gz CBZWDOYXGZOFMQ-QMMMGPOBSA-N 0 0 242.300 2.129 20 5 BEBDRN COc1cc(F)c([N+](=O)[O-])c(N2CC(C)C2)c1 ZINC000779711795 585759590 /nfs/dbraw/zinc/75/95/90/585759590.db2.gz XUKZPMWYHTVOFA-UHFFFAOYSA-N 0 0 240.234 2.199 20 5 BEBDRN CCON(C)c1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000780658328 585782940 /nfs/dbraw/zinc/78/29/40/585782940.db2.gz JUNLJVQGUZIQLB-UHFFFAOYSA-N 0 0 244.222 2.130 20 5 BEBDRN CN(CC1CCC1)c1ccc(N)cc1[N+](=O)[O-] ZINC000786807162 585897466 /nfs/dbraw/zinc/89/74/66/585897466.db2.gz YAHPKLRIQYMXAN-UHFFFAOYSA-N 0 0 235.287 2.413 20 5 BEBDRN COCC1(C)CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000788577814 585927170 /nfs/dbraw/zinc/92/71/70/585927170.db2.gz RDBICCFESKBQST-UHFFFAOYSA-N 0 0 236.271 2.068 20 5 BEBDRN C[C@H]1C[C@H](C)N1c1nc2ccccn2c1[N+](=O)[O-] ZINC000795193347 586071407 /nfs/dbraw/zinc/07/14/07/586071407.db2.gz JDFOESLFXVAOCY-IUCAKERBSA-N 0 0 246.270 2.230 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(F)c1NC[C@H](C)CO ZINC000799972760 586203901 /nfs/dbraw/zinc/20/39/01/586203901.db2.gz FYEWTQBQSLXZQW-ZETCQYMHSA-N 0 0 242.250 2.083 20 5 BEBDRN CC(C)OCCONc1sccc1[N+](=O)[O-] ZINC000812489001 586578189 /nfs/dbraw/zinc/57/81/89/586578189.db2.gz QEMMAMDBPUCRKI-UHFFFAOYSA-N 0 0 246.288 2.425 20 5 BEBDRN CC(C)(CCc1noc(CC2CC2)n1)[N+](=O)[O-] ZINC000812813481 586587246 /nfs/dbraw/zinc/58/72/46/586587246.db2.gz JPAMBOPAGCIHME-UHFFFAOYSA-N 0 0 239.275 2.010 20 5 BEBDRN CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1C ZINC000840273328 586588814 /nfs/dbraw/zinc/58/88/14/586588814.db2.gz MTRMOXSEOIPDGV-ZYHUDNBSSA-N 0 0 248.282 2.013 20 5 BEBDRN CC(C)C[C@@H](C)CC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813102148 586591928 /nfs/dbraw/zinc/59/19/28/586591928.db2.gz OGMCVVKGZVBXSC-ZJUUUORDSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@@H](COC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)[N+](=O)[O-] ZINC000813106299 586592712 /nfs/dbraw/zinc/59/27/12/586592712.db2.gz ADCUAJOKDHPFGJ-ZRUFSTJUSA-N 0 0 243.303 2.267 20 5 BEBDRN C[C@H](CC1CCCC1)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813107694 586592746 /nfs/dbraw/zinc/59/27/46/586592746.db2.gz ULSIZBNEBOMKOZ-NXEZZACHSA-N 0 0 243.303 2.411 20 5 BEBDRN CCc1ccc(C(=O)OC[C@@H](C)[N+](=O)[O-])cc1 ZINC000813106726 586592879 /nfs/dbraw/zinc/59/28/79/586592879.db2.gz GIDBQAGGOYTUJR-SECBINFHSA-N 0 0 237.255 2.071 20 5 BEBDRN C[C@@H](COC(=O)c1ccccc1Cl)[N+](=O)[O-] ZINC000813106944 586592881 /nfs/dbraw/zinc/59/28/81/586592881.db2.gz IEXWFVPGDXIOEX-ZETCQYMHSA-N 0 0 243.646 2.162 20 5 BEBDRN CCC[C@@H](C)CC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813112340 586593524 /nfs/dbraw/zinc/59/35/24/586593524.db2.gz FRYDRWRVLQOSAW-BDAKNGLRSA-N 0 0 217.265 2.021 20 5 BEBDRN CCc1ccc(C(=O)OC[C@@H](C)[N+](=O)[O-])s1 ZINC000813110402 586593550 /nfs/dbraw/zinc/59/35/50/586593550.db2.gz ZUOQBAONWQHXSV-SSDOTTSWSA-N 0 0 243.284 2.133 20 5 BEBDRN CC(C(=O)OC[C@@H](C)[N+](=O)[O-])=C1CCCC1 ZINC000813111591 586593620 /nfs/dbraw/zinc/59/36/20/586593620.db2.gz VJXKHZYEMUAFBQ-MRVPVSSYSA-N 0 0 227.260 2.085 20 5 BEBDRN C[C@@H](COC(=O)[C@H]1CCCC1(C)C)[N+](=O)[O-] ZINC000813113814 586594009 /nfs/dbraw/zinc/59/40/09/586594009.db2.gz JKSMTCFRYIAMHC-DTWKUNHWSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](COC(=O)c1cc(Cl)cs1)[N+](=O)[O-] ZINC000813113965 586594084 /nfs/dbraw/zinc/59/40/84/586594084.db2.gz XCAPOHJCYVAUHX-YFKPBYRVSA-N 0 0 249.675 2.224 20 5 BEBDRN CC1CC(OC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000813230794 586597916 /nfs/dbraw/zinc/59/79/16/586597916.db2.gz IGYLTUCTDZWZJQ-UHFFFAOYSA-N 0 0 249.266 2.479 20 5 BEBDRN CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813362143 586601217 /nfs/dbraw/zinc/60/12/17/586601217.db2.gz JLVSSQAUYIGBFQ-UHFFFAOYSA-N 0 0 249.053 2.261 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H](C)c1cccs1 ZINC000814041758 586611791 /nfs/dbraw/zinc/61/17/91/586611791.db2.gz VYDZFWGAZPCPPX-JGVFFNPUSA-N 0 0 243.284 2.060 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC1(C)C ZINC000814037274 586611799 /nfs/dbraw/zinc/61/17/99/586611799.db2.gz VHFGBBFRUJVWPY-RKDXNWHRSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CC1=CCCCC1 ZINC000814036510 586612045 /nfs/dbraw/zinc/61/20/45/586612045.db2.gz YXLUWLSLPPOIAP-VIFPVBQESA-N 0 0 227.260 2.085 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000814040609 586612302 /nfs/dbraw/zinc/61/23/02/586612302.db2.gz IDUMIDNEQBEEML-OPRDCNLKSA-N 0 0 243.303 2.267 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000814039963 586612330 /nfs/dbraw/zinc/61/23/30/586612330.db2.gz ZJAVSNGPABQTKQ-KXUCPTDWSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1coc2ccccc12 ZINC000814039924 586612334 /nfs/dbraw/zinc/61/23/34/586612334.db2.gz YYXUQEWCBQECBL-QMMMGPOBSA-N 0 0 249.222 2.255 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)c1cc(Cl)cs1 ZINC000814039013 586612344 /nfs/dbraw/zinc/61/23/44/586612344.db2.gz KUUHBAZEASUGOQ-YFKPBYRVSA-N 0 0 249.675 2.224 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000814040611 586612355 /nfs/dbraw/zinc/61/23/55/586612355.db2.gz IDUMIDNEQBEEML-ZRUFSTJUSA-N 0 0 243.303 2.267 20 5 BEBDRN CCc1ccsc1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814039124 586612432 /nfs/dbraw/zinc/61/24/32/586612432.db2.gz YGTFNHVRALPNMU-SSDOTTSWSA-N 0 0 243.284 2.133 20 5 BEBDRN CCCC1(C(=O)O[C@H](C)C[N+](=O)[O-])CCC1 ZINC000814040252 586612437 /nfs/dbraw/zinc/61/24/37/586612437.db2.gz DLZAYZXNDOGRKK-SECBINFHSA-N 0 0 229.276 2.165 20 5 BEBDRN CCCC(CCC)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814043691 586612695 /nfs/dbraw/zinc/61/26/95/586612695.db2.gz HIMBXPBAMXAUEP-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@H]1CCC[C@@H]1C ZINC000814044387 586612781 /nfs/dbraw/zinc/61/27/81/586612781.db2.gz PHJWGKRQEATFQZ-IVZWLZJFSA-N 0 0 229.276 2.021 20 5 BEBDRN Cc1cc(C)cc(C(=O)O[C@@H](C)C[N+](=O)[O-])c1 ZINC000814046391 586612915 /nfs/dbraw/zinc/61/29/15/586612915.db2.gz JQHWMTWFTZHYEU-JTQLQIEISA-N 0 0 237.255 2.125 20 5 BEBDRN Cc1ccc(C(=O)O[C@@H](C)C[N+](=O)[O-])cc1C ZINC000814047369 586612971 /nfs/dbraw/zinc/61/29/71/586612971.db2.gz UHASMSVEPDCABS-JTQLQIEISA-N 0 0 237.255 2.125 20 5 BEBDRN CCCCS[C@H](C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814047985 586613149 /nfs/dbraw/zinc/61/31/49/586613149.db2.gz QCULLOYEMWHDPV-RKDXNWHRSA-N 0 0 249.332 2.117 20 5 BEBDRN CC(C)c1occc1C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814047960 586613222 /nfs/dbraw/zinc/61/32/22/586613222.db2.gz ZDRSWDVWMOHRDX-MRVPVSSYSA-N 0 0 241.243 2.225 20 5 BEBDRN C[C@@H](COC(=O)C(C)(C)C(C)(C)C)[N+](=O)[O-] ZINC000816091474 586707487 /nfs/dbraw/zinc/70/74/87/586707487.db2.gz YLTBHLWLWUZAOI-QMMMGPOBSA-N 0 0 231.292 2.267 20 5 BEBDRN C=C=CCNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000816700145 586758614 /nfs/dbraw/zinc/75/86/14/586758614.db2.gz QGZIZUZJFMZLJV-UHFFFAOYSA-N 0 0 246.266 2.228 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000840345377 586815452 /nfs/dbraw/zinc/81/54/52/586815452.db2.gz LFIJSNXLURDAGH-MFKMUULPSA-N 0 0 248.282 2.210 20 5 BEBDRN C=C=CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000820586624 587056933 /nfs/dbraw/zinc/05/69/33/587056933.db2.gz NOXIVQOQEAIYRZ-UHFFFAOYSA-N 0 0 208.192 2.487 20 5 BEBDRN COC(=O)CS/C=C\c1ccc([N+](=O)[O-])o1 ZINC000821690808 587134471 /nfs/dbraw/zinc/13/44/71/587134471.db2.gz DXHFCMFFCNEWEZ-PLNGDYQASA-N 0 0 243.240 2.065 20 5 BEBDRN CCN(CC(C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822437513 587167892 /nfs/dbraw/zinc/16/78/92/587167892.db2.gz CXKGCZFJIAECOO-UHFFFAOYSA-N 0 0 244.335 2.326 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1C[C@H]1C ZINC000822798768 587186792 /nfs/dbraw/zinc/18/67/92/587186792.db2.gz VTIHXDCBLKNEMM-PSASIEDQSA-N 0 0 248.282 2.350 20 5 BEBDRN CN(CC(C)(C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823010887 587198046 /nfs/dbraw/zinc/19/80/46/587198046.db2.gz FSQFPVCNPSOMIE-UHFFFAOYSA-N 0 0 244.335 2.326 20 5 BEBDRN CC(C)(CCC(=O)NCCC1CCC1)[N+](=O)[O-] ZINC000826817996 587363358 /nfs/dbraw/zinc/36/33/58/587363358.db2.gz IUNMYCIPXOPYAP-UHFFFAOYSA-N 0 0 242.319 2.128 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC3(CC3)C2)cc1 ZINC000828365553 587438430 /nfs/dbraw/zinc/43/84/30/587438430.db2.gz XZJOVKZIWZMUBU-UHFFFAOYSA-N 0 0 204.229 2.195 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@@H](F)[C@@H](F)C2)s1 ZINC000828755164 587460642 /nfs/dbraw/zinc/46/06/42/587460642.db2.gz KHCGKGSKSUVZCD-OLQVQODUSA-N 0 0 234.227 2.153 20 5 BEBDRN C[C@H](O)CCOc1cccc(Cl)c1[N+](=O)[O-] ZINC000829618674 587505854 /nfs/dbraw/zinc/50/58/54/587505854.db2.gz ZQRQMKISAHZSNO-ZETCQYMHSA-N 0 0 245.662 2.398 20 5 BEBDRN CC/C=C/CCn1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829838048 587522172 /nfs/dbraw/zinc/52/21/72/587522172.db2.gz QXTCXUCTOLRJQD-ONEGZZNKSA-N 0 0 240.219 2.056 20 5 BEBDRN CCC(CC)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829837339 587522216 /nfs/dbraw/zinc/52/22/16/587522216.db2.gz DILOCSXKOKKNLQ-UHFFFAOYSA-N 0 0 228.208 2.061 20 5 BEBDRN CCC[C@H](C)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829841985 587522645 /nfs/dbraw/zinc/52/26/45/587522645.db2.gz CSNOYFVLGXELST-LURJTMIESA-N 0 0 228.208 2.061 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H](F)C1 ZINC000830467182 587552185 /nfs/dbraw/zinc/55/21/85/587552185.db2.gz GYUZDGPLNJDIHQ-JTQLQIEISA-N 0 0 242.225 2.278 20 5 BEBDRN CCON(CC)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000831498664 587614141 /nfs/dbraw/zinc/61/41/41/587614141.db2.gz HNZFDCUMCJMXHA-UHFFFAOYSA-N 0 0 238.243 2.008 20 5 BEBDRN CC[C@@H]1CCC[C@H]1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000835453836 587802883 /nfs/dbraw/zinc/80/28/83/587802883.db2.gz HEWDZBUMJFEREX-IVZWLZJFSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](COC(=O)C(C)(C)C1CCC1)[N+](=O)[O-] ZINC000835456953 587803204 /nfs/dbraw/zinc/80/32/04/587803204.db2.gz VBXMLLFJQQVXSY-MRVPVSSYSA-N 0 0 229.276 2.021 20 5 BEBDRN CC[C@@H](CC(C)C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000835465898 587803724 /nfs/dbraw/zinc/80/37/24/587803724.db2.gz FTPHSHIOEMABPU-ZJUUUORDSA-N 0 0 231.292 2.267 20 5 BEBDRN CCC[C@@H]1CCC[C@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000835468093 587803852 /nfs/dbraw/zinc/80/38/52/587803852.db2.gz YIFBWODQIHJLDO-HBNTYKKESA-N 0 0 243.303 2.411 20 5 BEBDRN O=C(OCCC1CCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840671224 587915648 /nfs/dbraw/zinc/91/56/48/587915648.db2.gz QHEWPXAIYVMUDS-GHMZBOCLSA-N 0 0 241.287 2.165 20 5 BEBDRN C[C@@H]1CC[C@@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C1 ZINC000841121235 587946910 /nfs/dbraw/zinc/94/69/10/587946910.db2.gz RGAGPZFDJTYYRH-RCZSTQMZSA-N 0 0 241.287 2.020 20 5 BEBDRN CCC[C@@H](C)[C@@H](C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842341118 588019726 /nfs/dbraw/zinc/01/97/26/588019726.db2.gz WVNPCZKLUPDCFP-ZYUZMQFOSA-N 0 0 229.276 2.020 20 5 BEBDRN CC(C)CC1(COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000842351272 588020628 /nfs/dbraw/zinc/02/06/28/588020628.db2.gz CBEUFBQUIIBCMR-NXEZZACHSA-N 0 0 241.287 2.021 20 5 BEBDRN O=C(O[C@H]1C=CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842352802 588020901 /nfs/dbraw/zinc/02/09/01/588020901.db2.gz FYRDJKDNXRSDGF-HBNTYKKESA-N 0 0 239.271 2.084 20 5 BEBDRN Cc1cccc(-c2noc([C@@H]3CC3[N+](=O)[O-])n2)c1 ZINC000842488122 588030262 /nfs/dbraw/zinc/03/02/62/588030262.db2.gz XERKICWMEJCKJT-NXEZZACHSA-N 0 0 245.238 2.178 20 5 BEBDRN CCS[C@@H](C)c1noc([C@@H]2CC2[N+](=O)[O-])n1 ZINC000842494467 588030706 /nfs/dbraw/zinc/03/07/06/588030706.db2.gz IHYORXYTZFZWEX-RRKCRQDMSA-N 0 0 243.288 2.016 20 5 BEBDRN CC1=C(C)C[C@@H](C(=O)O[C@@H](C)C[N+](=O)[O-])CC1 ZINC000842805183 588065487 /nfs/dbraw/zinc/06/54/87/588065487.db2.gz BNXHKRUWKKYNSU-QWRGUYRKSA-N 0 0 241.287 2.331 20 5 BEBDRN C/C=C(\C)COC(=O)c1ccc([N+](=O)[O-])n1C ZINC000842853665 588070552 /nfs/dbraw/zinc/07/05/52/588070552.db2.gz ZVACHKQZUYRTHM-XBXARRHUSA-N 0 0 238.243 2.056 20 5 BEBDRN CNc1ccc([N+](=O)[O-])cc1NCC1CC1 ZINC000843298544 588098036 /nfs/dbraw/zinc/09/80/36/588098036.db2.gz PYPSXMKDPMMZFF-UHFFFAOYSA-N 0 0 221.260 2.458 20 5 BEBDRN CCc1noc(-c2cc([N+](=O)[O-])ccc2OC)n1 ZINC000843317637 588099735 /nfs/dbraw/zinc/09/97/35/588099735.db2.gz BPGFLXRXRRDEJK-UHFFFAOYSA-N 0 0 249.226 2.216 20 5 BEBDRN O=[N+]([O-])c1cccc(-c2nnc(NC3CC3)o2)c1 ZINC000849158135 588457640 /nfs/dbraw/zinc/45/76/40/588457640.db2.gz BMYFNQRBEFXNMS-UHFFFAOYSA-N 0 0 246.226 2.219 20 5 BEBDRN C[C@H]1CCCC[C@H]1COC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000849807878 588502019 /nfs/dbraw/zinc/50/20/19/588502019.db2.gz VYSMASTWXXDRSI-UKKRHICBSA-N 0 0 241.287 2.021 20 5 BEBDRN O=C(CCCF)OCc1csc([N+](=O)[O-])c1 ZINC000850193168 588526112 /nfs/dbraw/zinc/52/61/12/588526112.db2.gz AEFCAXAEEXTJDA-UHFFFAOYSA-N 0 0 247.247 2.449 20 5 BEBDRN CCC[C@@H](C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851125365 588591952 /nfs/dbraw/zinc/59/19/52/588591952.db2.gz AVZZQTZFBIZUAF-MRVPVSSYSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])C(C)(C)C ZINC000851125467 588592250 /nfs/dbraw/zinc/59/22/50/588592250.db2.gz CUXLGTQFNTYHOH-QMMMGPOBSA-N 0 0 231.292 2.267 20 5 BEBDRN CC(C)(COC(=O)CCC1CCC1)[N+](=O)[O-] ZINC000851125283 588592321 /nfs/dbraw/zinc/59/23/21/588592321.db2.gz AGYXZASOKUMBCH-UHFFFAOYSA-N 0 0 229.276 2.165 20 5 BEBDRN CC(C)(COC(=O)c1cccc(F)c1)[N+](=O)[O-] ZINC000851122720 588592348 /nfs/dbraw/zinc/59/23/48/588592348.db2.gz IWSXPJZTMOIPKE-UHFFFAOYSA-N 0 0 241.218 2.038 20 5 BEBDRN C[C@H]1CCC[C@@H](C(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851125938 588592549 /nfs/dbraw/zinc/59/25/49/588592549.db2.gz IYLWPEKOLQHSJD-VHSXEESVSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1cc(C(=O)OCC(C)(C)[N+](=O)[O-])oc1C ZINC000851126449 588592777 /nfs/dbraw/zinc/59/27/77/588592777.db2.gz OUWLSBRPQSJEJO-UHFFFAOYSA-N 0 0 241.243 2.109 20 5 BEBDRN CC[C@@H](C)[C@@H](C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127719 588592795 /nfs/dbraw/zinc/59/27/95/588592795.db2.gz UALQBASSDJCOOW-RKDXNWHRSA-N 0 0 231.292 2.267 20 5 BEBDRN CC[C@@H](C)[C@H](C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127716 588592820 /nfs/dbraw/zinc/59/28/20/588592820.db2.gz UALQBASSDJCOOW-BDAKNGLRSA-N 0 0 231.292 2.267 20 5 BEBDRN CC(C)(COC(=O)C(C)(C)C1CCC1)[N+](=O)[O-] ZINC000851129439 588592876 /nfs/dbraw/zinc/59/28/76/588592876.db2.gz NIZIXPSGRIAGLH-UHFFFAOYSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H]1CCC[C@]1(C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851129226 588593113 /nfs/dbraw/zinc/59/31/13/588593113.db2.gz KVHMMWCVJIKVEY-CABZTGNLSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)(COC(=O)[C@H]1CCCC1(C)C)[N+](=O)[O-] ZINC000851128056 588593172 /nfs/dbraw/zinc/59/31/72/588593172.db2.gz GUBYGQNPDOJNFA-SECBINFHSA-N 0 0 243.303 2.411 20 5 BEBDRN Cc1cc(C(=O)OCC(C)(C)[N+](=O)[O-])cs1 ZINC000851130416 588593399 /nfs/dbraw/zinc/59/33/99/588593399.db2.gz VRGASVUYEPSLNG-UHFFFAOYSA-N 0 0 243.284 2.269 20 5 BEBDRN C[C@@H](COC(=O)c1coc(C(F)F)c1)[N+](=O)[O-] ZINC000860777671 589119591 /nfs/dbraw/zinc/11/95/91/589119591.db2.gz SKYWHTNTGDASGL-YFKPBYRVSA-N 0 0 249.169 2.039 20 5 BEBDRN CC(C)(COC(=O)[C@H]1CCCC12CC2)[N+](=O)[O-] ZINC000860867712 589125072 /nfs/dbraw/zinc/12/50/72/589125072.db2.gz LPFAFVRBLXGOST-SECBINFHSA-N 0 0 241.287 2.165 20 5 BEBDRN C[C@H](CC1CCCC1)C(=O)OCCC[N+](=O)[O-] ZINC000860915706 589131480 /nfs/dbraw/zinc/13/14/80/589131480.db2.gz WARFPKBSZNJEHT-SNVBAGLBSA-N 0 0 243.303 2.413 20 5 BEBDRN CC1(C)CCC[C@H](C(=O)OCCC[N+](=O)[O-])C1 ZINC000860917972 589131967 /nfs/dbraw/zinc/13/19/67/589131967.db2.gz XCNDCLZOMJUAAT-JTQLQIEISA-N 0 0 243.303 2.413 20 5 BEBDRN CC(C)(C)C1CC(C(=O)OCCC[N+](=O)[O-])C1 ZINC000860919201 589132086 /nfs/dbraw/zinc/13/20/86/589132086.db2.gz KVGIUVHNIDZKCW-UHFFFAOYSA-N 0 0 243.303 2.269 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])C1(C2CCC2)CCC1 ZINC000860919280 589132158 /nfs/dbraw/zinc/13/21/58/589132158.db2.gz MYFILBWHMNJTDA-UHFFFAOYSA-N 0 0 241.287 2.167 20 5 BEBDRN CCC[C@@H]1CCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860919445 589132298 /nfs/dbraw/zinc/13/22/98/589132298.db2.gz YTGGYQXLXUICFT-MNOVXSKESA-N 0 0 243.303 2.413 20 5 BEBDRN C/C(=C/C(C)(C)C)C(=O)OCCC[N+](=O)[O-] ZINC000860920451 589132444 /nfs/dbraw/zinc/13/24/44/589132444.db2.gz BOLBBBYPZLEDJZ-HJWRWDBZSA-N 0 0 229.276 2.189 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])[C@@H]1CCCC2(CC2)C1 ZINC000860921926 589132904 /nfs/dbraw/zinc/13/29/04/589132904.db2.gz AWVBPASVUDEMHN-SNVBAGLBSA-N 0 0 241.287 2.167 20 5 BEBDRN CC(F)(F)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000861228065 589153287 /nfs/dbraw/zinc/15/32/87/589153287.db2.gz WSGPILFFUMFOMI-UHFFFAOYSA-N 0 0 245.181 2.407 20 5 BEBDRN Cc1nc(C)n(Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000865352827 589424152 /nfs/dbraw/zinc/42/41/52/589424152.db2.gz JIIZTXAQZBSHPH-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN C[C@H](Cn1cccc([N+](=O)[O-])c1=O)C(C)(C)C ZINC000865354542 589424290 /nfs/dbraw/zinc/42/42/90/589424290.db2.gz VERPJXDIRSNXHJ-SECBINFHSA-N 0 0 238.287 2.439 20 5 BEBDRN C[C@@H](Cn1nccc1[N+](=O)[O-])C(C)(C)C ZINC000865354100 589424494 /nfs/dbraw/zinc/42/44/94/589424494.db2.gz NCQJLKWJRXLUTD-QMMMGPOBSA-N 0 0 211.265 2.474 20 5 BEBDRN O=[N+]([O-])c1cc(CO)c(NCC2CC2)cc1F ZINC000865429590 589435504 /nfs/dbraw/zinc/43/55/04/589435504.db2.gz ZDVRTONXCNDYQV-UHFFFAOYSA-N 0 0 240.234 2.048 20 5 BEBDRN CCCN(C)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865480465 589439987 /nfs/dbraw/zinc/43/99/87/589439987.db2.gz NHTOMLOHLMOFIK-UHFFFAOYSA-N 0 0 242.250 2.072 20 5 BEBDRN COC(OC)[C@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000865867950 589466158 /nfs/dbraw/zinc/46/61/58/589466158.db2.gz JKDDWMQJTZTTCU-LURJTMIESA-N 0 0 246.288 2.076 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(OCCCO)cc1Cl ZINC000871694631 589793249 /nfs/dbraw/zinc/79/32/49/589793249.db2.gz PGFBGCIUYWWBAV-UHFFFAOYSA-N 0 0 249.625 2.149 20 5 BEBDRN COCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872016156 589855687 /nfs/dbraw/zinc/85/56/87/589855687.db2.gz GDADKNLQQBYMLA-MRVPVSSYSA-N 0 0 242.250 2.031 20 5 BEBDRN Cc1nonc1CNc1ccc([N+](=O)[O-])cc1C ZINC000872777471 589968056 /nfs/dbraw/zinc/96/80/56/589968056.db2.gz CCXBPGZQRNBUDI-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CCn1ncc(Nc2ccc([N+](=O)[O-])nc2)c1C ZINC000872777516 589968977 /nfs/dbraw/zinc/96/89/77/589968977.db2.gz FKNWSGLXDPKACG-UHFFFAOYSA-N 0 0 247.258 2.258 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NC(C)C ZINC000873718262 590068250 /nfs/dbraw/zinc/06/82/50/590068250.db2.gz VLQCKMHRLAJSBU-UHFFFAOYSA-N 0 0 236.271 2.350 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCC1 ZINC000873839863 590074715 /nfs/dbraw/zinc/07/47/15/590074715.db2.gz QHPQTZABELCMGU-UHFFFAOYSA-N 0 0 234.255 2.058 20 5 BEBDRN O=[N+]([O-])c1ncn(CC2CCC3(CC3)CC2)n1 ZINC000877871414 590434115 /nfs/dbraw/zinc/43/41/15/590434115.db2.gz PJWGWAGGKODHJZ-UHFFFAOYSA-N 0 0 236.275 2.157 20 5 BEBDRN COC[C@H](Cn1cc(C)c([N+](=O)[O-])n1)C(C)C ZINC000877882090 590435804 /nfs/dbraw/zinc/43/58/04/590435804.db2.gz VOUDPLGYHOULHV-JTQLQIEISA-N 0 0 241.291 2.018 20 5 BEBDRN COC[C@@H](Cn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000877887146 590439453 /nfs/dbraw/zinc/43/94/53/590439453.db2.gz CRMDDWKODVHWKE-SNVBAGLBSA-N 0 0 241.291 2.018 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]1C ZINC000881481840 591212549 /nfs/dbraw/zinc/21/25/49/591212549.db2.gz RLUVZDLBOVHCEI-VIFPVBQESA-N 0 0 248.282 2.446 20 5 BEBDRN CCCCN(C)c1ccnc(F)c1[N+](=O)[O-] ZINC000881735890 591268138 /nfs/dbraw/zinc/26/81/38/591268138.db2.gz SMBFHMAVXAREDX-UHFFFAOYSA-N 0 0 227.239 2.365 20 5 BEBDRN CC1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881740778 591268495 /nfs/dbraw/zinc/26/84/95/591268495.db2.gz QSKACCRFWUOQHM-UHFFFAOYSA-N 0 0 239.250 2.365 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1NCC1CCC1 ZINC000881800423 591271820 /nfs/dbraw/zinc/27/18/20/591271820.db2.gz WZEOUTYONBLMHT-UHFFFAOYSA-N 0 0 225.223 2.341 20 5 BEBDRN CSCCCNc1ccnc(F)c1[N+](=O)[O-] ZINC000881995520 591285920 /nfs/dbraw/zinc/28/59/20/591285920.db2.gz PQDGIIPJTIUFRW-UHFFFAOYSA-N 0 0 245.279 2.294 20 5 BEBDRN C[C@H]1CCCN1c1ccnc(F)c1[N+](=O)[O-] ZINC000882036603 591290081 /nfs/dbraw/zinc/29/00/81/591290081.db2.gz HQNQVIBNBAYDRM-ZETCQYMHSA-N 0 0 225.223 2.118 20 5 BEBDRN CC(C)[C@@H](O)CCOc1ccccc1[N+](=O)[O-] ZINC000882035484 591290292 /nfs/dbraw/zinc/29/02/92/591290292.db2.gz JWINSFCHKIEBLL-NSHDSACASA-N 0 0 239.271 2.381 20 5 BEBDRN C[C@@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])[C@@H]1C ZINC000882053746 591292364 /nfs/dbraw/zinc/29/23/64/591292364.db2.gz YUQWRIKQAHFXPM-HTQZYQBOSA-N 0 0 239.250 2.364 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1N1CCC[C@H]2C[C@H]21 ZINC000882350216 591336946 /nfs/dbraw/zinc/33/69/46/591336946.db2.gz IQYPPQDRWFVHHQ-IONNQARKSA-N 0 0 237.234 2.118 20 5 BEBDRN C[C@@H](O)CSc1ccsc1[N+](=O)[O-] ZINC000882737326 591424287 /nfs/dbraw/zinc/42/42/87/591424287.db2.gz IIMWVHZIXBALDZ-RXMQYKEDSA-N 0 0 219.287 2.129 20 5 BEBDRN C[C@@H](O)CSc1c(F)cc([N+](=O)[O-])cc1F ZINC000882737165 591424659 /nfs/dbraw/zinc/42/46/59/591424659.db2.gz AWOOUUZQLDRGDJ-RXMQYKEDSA-N 0 0 249.238 2.346 20 5 BEBDRN O=[N+]([O-])c1ncccc1N1CCC[C@H](CF)C1 ZINC000882801439 591443491 /nfs/dbraw/zinc/44/34/91/591443491.db2.gz QNAXEENAWHOZIP-SECBINFHSA-N 0 0 239.250 2.176 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC[C@H](CF)C2)cn1 ZINC000882801602 591443938 /nfs/dbraw/zinc/44/39/38/591443938.db2.gz WJSUIKMXNLETNQ-SECBINFHSA-N 0 0 239.250 2.176 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1N1CCC(F)CC1 ZINC000882805141 591444819 /nfs/dbraw/zinc/44/48/19/591444819.db2.gz PJJYLBWMVMKVHJ-UHFFFAOYSA-N 0 0 243.213 2.067 20 5 BEBDRN Cc1cc(N2CC[C@H](CF)C2)ncc1[N+](=O)[O-] ZINC000882840889 591451153 /nfs/dbraw/zinc/45/11/53/591451153.db2.gz HJLPSPUCFKDNSA-SECBINFHSA-N 0 0 239.250 2.094 20 5 BEBDRN Cc1ccnc(N2CC[C@H](CF)C2)c1[N+](=O)[O-] ZINC000882840852 591451255 /nfs/dbraw/zinc/45/12/55/591451255.db2.gz GPYNLYDTMDUFRE-SECBINFHSA-N 0 0 239.250 2.094 20 5 BEBDRN Cc1ccc(OC(=O)c2cocn2)cc1[N+](=O)[O-] ZINC000131826278 591666710 /nfs/dbraw/zinc/66/67/10/591666710.db2.gz BPTRSENJAQFQPC-UHFFFAOYSA-N 0 0 248.194 2.110 20 5 BEBDRN CCC(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000132475991 591711066 /nfs/dbraw/zinc/71/10/66/591711066.db2.gz AUGGKJPPKCRGRZ-UHFFFAOYSA-N 0 0 213.164 2.049 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[C@@H]2C1 ZINC000884588450 591988570 /nfs/dbraw/zinc/98/85/70/591988570.db2.gz HVWLVOQWSUJGHU-AOOOYVTPSA-N 0 0 218.256 2.359 20 5 BEBDRN O=[N+]([O-])c1cnc(N2C[C@@H]3C[C@@H]3C2)c(Cl)c1 ZINC000884589116 591989181 /nfs/dbraw/zinc/98/91/81/591989181.db2.gz UBGNXMDILMHNSA-KNVOCYPGSA-N 0 0 239.662 2.099 20 5 BEBDRN Cc1cnc(N(C)CCCF)c([N+](=O)[O-])c1 ZINC000884857205 592024879 /nfs/dbraw/zinc/02/48/79/592024879.db2.gz RQFHKEQOQKUJKH-UHFFFAOYSA-N 0 0 227.239 2.094 20 5 BEBDRN CN(CCCF)c1ccccc1[N+](=O)[O-] ZINC000884855475 592025294 /nfs/dbraw/zinc/02/52/94/592025294.db2.gz HTFBCKOAUZZXLH-UHFFFAOYSA-N 0 0 212.224 2.391 20 5 BEBDRN O=[N+]([O-])c1ncccc1CN1OC2CCC1CC2 ZINC000886312106 592206178 /nfs/dbraw/zinc/20/61/78/592206178.db2.gz STTHTSIEBIPSJC-UHFFFAOYSA-N 0 0 249.270 2.048 20 5 BEBDRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc[nH]1 ZINC000007446932 592729341 /nfs/dbraw/zinc/72/93/41/592729341.db2.gz AHIOKWMDBHEOGJ-UHFFFAOYSA-N 0 0 246.222 2.280 20 5 BEBDRN O=C(NO)C1CCC(c2ccccc2)CC1 ZINC000197449726 634407089 /nfs/dbraw/zinc/40/70/89/634407089.db2.gz LBLUOWGYXCVHJT-UHFFFAOYSA-N 0 0 219.284 2.466 20 5 BEBDRN Cc1ccc(CNc2c([N+](=O)[O-])cnn2C)cc1 ZINC000891445717 631321043 /nfs/dbraw/zinc/32/10/43/631321043.db2.gz UJWPYRFWJIHCBK-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN COC(OC)[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000079615362 631479095 /nfs/dbraw/zinc/47/90/95/631479095.db2.gz QIZMPXAWUGZPII-QMMMGPOBSA-N 0 0 240.259 2.014 20 5 BEBDRN C[C@H]1C[C@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000309241580 631982507 /nfs/dbraw/zinc/98/25/07/631982507.db2.gz AWFJCGOIVXBEOK-YUMQZZPRSA-N 0 0 221.260 2.245 20 5 BEBDRN CSCCCSc1c([N+](=O)[O-])cnn1C ZINC000894132714 635699545 /nfs/dbraw/zinc/69/95/45/635699545.db2.gz AGLHXIYVJAASJT-UHFFFAOYSA-N 0 0 247.345 2.174 20 5 BEBDRN O=C(NC1CCC1)c1cc([N+](=O)[O-])ccc1F ZINC000052210626 635729379 /nfs/dbraw/zinc/72/93/79/635729379.db2.gz KHFYJIDEXDORNM-UHFFFAOYSA-N 0 0 238.218 2.016 20 5 BEBDRN O=[N+]([O-])c1cc(NC2CCC2)cc([N+](=O)[O-])c1 ZINC000892401072 632611674 /nfs/dbraw/zinc/61/16/74/632611674.db2.gz DPVYIKQAIUBONU-UHFFFAOYSA-N 0 0 237.215 2.467 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OC[C@H](O)C(C)C ZINC000310059233 632697202 /nfs/dbraw/zinc/69/72/02/632697202.db2.gz HVTDQULFVAXUSL-NSHDSACASA-N 0 0 239.271 2.299 20 5 BEBDRN CC(C)[C@@H](C)Sc1c([N+](=O)[O-])cnn1C ZINC000892732211 633206956 /nfs/dbraw/zinc/20/69/56/633206956.db2.gz VXSDWEUHZSTZSN-SSDOTTSWSA-N 0 0 229.305 2.465 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1NCc1ccon1 ZINC000310172421 636006133 /nfs/dbraw/zinc/00/61/33/636006133.db2.gz PQRXGJOYNHEBSR-UHFFFAOYSA-N 0 0 237.190 2.334 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1C ZINC000895439886 636143114 /nfs/dbraw/zinc/14/31/14/636143114.db2.gz LBCJRJGNWSJOAX-UHFFFAOYSA-N 0 0 248.282 2.448 20 5 BEBDRN O=[N+]([O-])c1ccc(NCC[C@H](O)C2CC2)cc1 ZINC000897387473 636568530 /nfs/dbraw/zinc/56/85/30/636568530.db2.gz YXIGNEKDPKGHQA-LBPRGKRZSA-N 0 0 236.271 2.168 20 5 BEBDRN CC[C@H]1CCCC[C@@H]1OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841000396 636688004 /nfs/dbraw/zinc/68/80/04/636688004.db2.gz AHGOMIWUOKOKRS-ZDCRXTMVSA-N 0 0 241.287 2.164 20 5 BEBDRN C/C=C\C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228189979 636786401 /nfs/dbraw/zinc/78/64/01/636786401.db2.gz PASDNUZETXYXHE-AZVKUDOFSA-N 0 0 234.255 2.348 20 5 BEBDRN CCc1ccc(C(=O)OCCF)cc1[N+](=O)[O-] ZINC000080118318 636812868 /nfs/dbraw/zinc/81/28/68/636812868.db2.gz RFSNYMYPIUXKKE-UHFFFAOYSA-N 0 0 241.218 2.284 20 5 BEBDRN O=[N+]([O-])c1c(F)cccc1NCc1cc[nH]n1 ZINC000041016026 636950464 /nfs/dbraw/zinc/95/04/64/636950464.db2.gz MKBDXESNRKBHGX-UHFFFAOYSA-N 0 0 236.206 2.069 20 5 BEBDRN O=[N+]([O-])c1cccnc1Nc1cccc(CO)c1 ZINC000007186833 637357972 /nfs/dbraw/zinc/35/79/72/637357972.db2.gz ZLYTWSFHWHKMOZ-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN O=[N+]([O-])CCNc1ccccc1OCC1CC1 ZINC000905324846 637750955 /nfs/dbraw/zinc/75/09/55/637750955.db2.gz MEIMEIHEFZZEPH-UHFFFAOYSA-N 0 0 236.271 2.164 20 5 BEBDRN CCCOc1ccccc1NCC[N+](=O)[O-] ZINC000905301068 637759831 /nfs/dbraw/zinc/75/98/31/637759831.db2.gz MYQIMGHEFFXAID-UHFFFAOYSA-N 0 0 224.260 2.164 20 5 BEBDRN CC1(C)Cc2cccc(NCC[N+](=O)[O-])c2O1 ZINC000905334566 637780269 /nfs/dbraw/zinc/78/02/69/637780269.db2.gz OSBZHTXWFCTLGK-UHFFFAOYSA-N 0 0 236.271 2.089 20 5 BEBDRN Cc1ccc(NCC[N+](=O)[O-])cc1OC(C)C ZINC000905335120 637781333 /nfs/dbraw/zinc/78/13/33/637781333.db2.gz HVHGIXJLUWUGPG-UHFFFAOYSA-N 0 0 238.287 2.471 20 5 BEBDRN CCCCn1nnc(-c2ccccc2[N+](=O)[O-])n1 ZINC000912459551 640068945 /nfs/dbraw/zinc/06/89/45/640068945.db2.gz STVZKXDCYRFTRS-UHFFFAOYSA-N 0 0 247.258 2.048 20 5 BEBDRN CC(C)(NCC[N+](=O)[O-])c1ccc(F)cc1F ZINC000931755656 640352055 /nfs/dbraw/zinc/35/20/55/640352055.db2.gz WMFNCNAFSXERLJ-UHFFFAOYSA-N 0 0 244.241 2.066 20 5 BEBDRN CC(C)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000164059969 640439241 /nfs/dbraw/zinc/43/92/41/640439241.db2.gz PNHQBFGIOUQHPW-UHFFFAOYSA-N 0 0 242.662 2.386 20 5 BEBDRN CCOC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000044689964 640449487 /nfs/dbraw/zinc/44/94/87/640449487.db2.gz GIGQARQBSSYPTN-SNVBAGLBSA-N 0 0 238.287 2.109 20 5 BEBDRN CCOC[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000044689981 640450608 /nfs/dbraw/zinc/45/06/08/640450608.db2.gz LNOXOEXIRPBRMS-JTQLQIEISA-N 0 0 238.287 2.109 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCCO)cc1Cl ZINC000050469952 641156528 /nfs/dbraw/zinc/15/65/28/641156528.db2.gz INWAHMRCTQFUJQ-UHFFFAOYSA-N 0 0 231.635 2.009 20 5 BEBDRN C[C@H]1CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000914164308 641600254 /nfs/dbraw/zinc/60/02/54/641600254.db2.gz CHGMTIPQCMYCQO-QBBOHKLWSA-N 0 0 246.266 2.229 20 5 BEBDRN C[C@H]1CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000914164309 641600748 /nfs/dbraw/zinc/60/07/48/641600748.db2.gz CHGMTIPQCMYCQO-VAWSOJLPSA-N 0 0 246.266 2.229 20 5 BEBDRN O=c1ccc([N+](=O)[O-])cn1CC[C@@H]1C[C@H]1C1CC1 ZINC000915566823 641838849 /nfs/dbraw/zinc/83/88/49/641838849.db2.gz GCWDJOYIWCOXGK-PWSUYJOCSA-N 0 0 248.282 2.193 20 5 BEBDRN O=[N+]([O-])c1cn(C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cn1 ZINC000916557972 641946926 /nfs/dbraw/zinc/94/69/26/641946926.db2.gz DLRJDZQZCPGPDD-RNLVFQAGSA-N 0 0 243.213 2.083 20 5 BEBDRN O=[N+]([O-])c1ccnn1CCOC1CCCCC1 ZINC000916723794 641969793 /nfs/dbraw/zinc/96/97/93/641969793.db2.gz WLXXFYYQVRZLIK-UHFFFAOYSA-N 0 0 239.275 2.141 20 5 BEBDRN O=[N+]([O-])c1ncn(C[C@H]2CC3CCC2CC3)n1 ZINC000916731105 641971763 /nfs/dbraw/zinc/97/17/63/641971763.db2.gz UVOHNSKJOPXPJL-UDNWOFFPSA-N 0 0 236.275 2.013 20 5 BEBDRN CC(F)(F)CCCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000917110025 642012029 /nfs/dbraw/zinc/01/20/29/642012029.db2.gz OCODKWUBVHQKJN-UHFFFAOYSA-N 0 0 246.213 2.192 20 5 BEBDRN Cc1ccc(CCn2ccnc2[N+](=O)[O-])cc1 ZINC000918369192 642190432 /nfs/dbraw/zinc/19/04/32/642190432.db2.gz QPRIXBFRKXKNKI-UHFFFAOYSA-N 0 0 231.255 2.342 20 5 BEBDRN CC(C)(C)OCCCCn1ccnc1[N+](=O)[O-] ZINC000918379441 642192206 /nfs/dbraw/zinc/19/22/06/642192206.db2.gz WSGSVNCEFAMHLM-UHFFFAOYSA-N 0 0 241.291 2.387 20 5 BEBDRN O=[N+]([O-])c1nccn1C[C@H]1CCC(F)(F)C1 ZINC000918377060 642192762 /nfs/dbraw/zinc/19/27/62/642192762.db2.gz BAYYYCFRJWOXPO-ZETCQYMHSA-N 0 0 231.202 2.227 20 5 BEBDRN CC(F)(F)CCCn1ccnc1[N+](=O)[O-] ZINC000918397230 642193271 /nfs/dbraw/zinc/19/32/71/642193271.db2.gz YXHPAZGXAMKHOY-UHFFFAOYSA-N 0 0 219.191 2.227 20 5 BEBDRN CCc1nc(C)cn1Cc1cccnc1[N+](=O)[O-] ZINC000918554628 642223237 /nfs/dbraw/zinc/22/32/37/642223237.db2.gz YUPJFTYHYCATGS-UHFFFAOYSA-N 0 0 246.270 2.105 20 5 BEBDRN COC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000918631455 642239178 /nfs/dbraw/zinc/23/91/78/642239178.db2.gz RFTXDQZQYYXGOH-SSDOTTSWSA-N 0 0 224.216 2.012 20 5 BEBDRN CCN(CCOC)c1ccc([N+](=O)[O-])cc1F ZINC000919965029 642413458 /nfs/dbraw/zinc/41/34/58/642413458.db2.gz JSFLZNDDJCKYEQ-UHFFFAOYSA-N 0 0 242.250 2.207 20 5 BEBDRN Cc1nccn1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000070164326 642982312 /nfs/dbraw/zinc/98/23/12/642982312.db2.gz YWAFVTJEVOOPGT-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN CCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1F ZINC000070250272 643003704 /nfs/dbraw/zinc/00/37/04/643003704.db2.gz APCJWBJKGCKUHE-UHFFFAOYSA-N 0 0 230.170 2.222 20 5 BEBDRN O=C(OCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000072645225 643277110 /nfs/dbraw/zinc/27/71/10/643277110.db2.gz IVMWVOXJOCZUDC-UHFFFAOYSA-N 0 0 221.212 2.048 20 5 BEBDRN Nc1ccc(NCCC2CC2)c([N+](=O)[O-])c1 ZINC000288423946 643339928 /nfs/dbraw/zinc/33/99/28/643339928.db2.gz NXOSHQRSYUFRCJ-UHFFFAOYSA-N 0 0 221.260 2.389 20 5 BEBDRN CCNC(=S)Nc1cccc([N+](=O)[O-])c1C ZINC000013785754 643674732 /nfs/dbraw/zinc/67/47/32/643674732.db2.gz GEAVHJPIVQHBMB-UHFFFAOYSA-N 0 0 239.300 2.210 20 5 BEBDRN CC[C@@H]1C[C@H]1COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000922770597 644092454 /nfs/dbraw/zinc/09/24/54/644092454.db2.gz OPPNXUXGNQYVEA-ZJUUUORDSA-N 0 0 243.303 2.411 20 5 BEBDRN COC(OC)[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000079615365 644198009 /nfs/dbraw/zinc/19/80/09/644198009.db2.gz QIZMPXAWUGZPII-MRVPVSSYSA-N 0 0 240.259 2.014 20 5 BEBDRN C/C=C(/CC)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000819905855 645021508 /nfs/dbraw/zinc/02/15/08/645021508.db2.gz YQYSAUIJJDSYPV-BAQGIRSFSA-N 0 0 249.270 2.472 20 5 BEBDRN C[C@@H](NC(=O)[C@H]1C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000928247473 645720201 /nfs/dbraw/zinc/72/02/01/645720201.db2.gz VKXKHOIQBUKWEW-LNLATYFQSA-N 0 0 248.282 2.428 20 5 BEBDRN O=[N+]([O-])CCN1CCC[C@H]1c1ccsc1 ZINC000929261729 646045272 /nfs/dbraw/zinc/04/52/72/646045272.db2.gz BIYRKOHBHVSXRT-JTQLQIEISA-N 0 0 226.301 2.162 20 5 BEBDRN C[C@H](C[C@H](C)O)Nc1cccc(F)c1[N+](=O)[O-] ZINC000228134053 711833686 /nfs/dbraw/zinc/83/36/86/711833686.db2.gz HEAXFHKKWWGFNK-SFYZADRCSA-N 0 0 242.250 2.305 20 5 BEBDRN CC(C)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])o1 ZINC000763546686 711866332 /nfs/dbraw/zinc/86/63/32/711866332.db2.gz DKRZZSFDBDKAGF-ZETCQYMHSA-N 0 0 227.216 2.389 20 5 BEBDRN COC[C@H]1C[C@@H](Nc2ccsc2[N+](=O)[O-])C1 ZINC000714299551 712481499 /nfs/dbraw/zinc/48/14/99/712481499.db2.gz YITZQHYLSXZBOF-OCAPTIKFSA-N 0 0 242.300 2.493 20 5 BEBDRN C/C=C/COC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731530251 711867695 /nfs/dbraw/zinc/86/76/95/711867695.db2.gz UJJWKOZYCOWEDH-NSCUHMNNSA-N 0 0 239.202 2.467 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@H]1C=CCC1 ZINC000700488619 711994722 /nfs/dbraw/zinc/99/47/22/711994722.db2.gz IQMDLQNNLHNWKK-MRVPVSSYSA-N 0 0 205.217 2.120 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1N[C@H]1C=CCC1 ZINC000700561491 711995770 /nfs/dbraw/zinc/99/57/70/711995770.db2.gz LATYKMPOUGKMEE-ZETCQYMHSA-N 0 0 239.662 2.196 20 5 BEBDRN Cc1ccnc(N[C@@H]2C=CCC2)c1[N+](=O)[O-] ZINC000700523393 711996799 /nfs/dbraw/zinc/99/67/99/711996799.db2.gz DWWNHJFBLKOGBS-SECBINFHSA-N 0 0 219.244 2.429 20 5 BEBDRN CO[C@H]1C[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000706595379 712150580 /nfs/dbraw/zinc/15/05/80/712150580.db2.gz SMPAIBDURHNVCL-ZKCHVHJHSA-N 0 0 240.234 2.323 20 5 BEBDRN O=[N+]([O-])c1ccc(CN2CC[C@@H]3C[C@@H]32)c(F)c1 ZINC000707002778 712163409 /nfs/dbraw/zinc/16/34/09/712163409.db2.gz RSHNSCRYRNMJRH-PELKAZGASA-N 0 0 236.246 2.328 20 5 BEBDRN Cc1ccc(N[C@H]2COC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000710863081 712260270 /nfs/dbraw/zinc/26/02/70/712260270.db2.gz GMTYVSZJIIXPEK-ONGXEEELSA-N 0 0 236.271 2.350 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@H]2C=CCC2)cn1 ZINC000711681099 712316565 /nfs/dbraw/zinc/31/65/65/712316565.db2.gz UIXWDIMJMHVYPK-VIFPVBQESA-N 0 0 219.244 2.368 20 5 BEBDRN COC[C@H]1C[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000714303045 712481509 /nfs/dbraw/zinc/48/15/09/712481509.db2.gz HYVZGLQVGRCJIT-AOOOYVTPSA-N 0 0 236.271 2.432 20 5 BEBDRN CCC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000005768318 712697207 /nfs/dbraw/zinc/69/72/07/712697207.db2.gz XNZCXBDQNBUKST-UHFFFAOYSA-N 0 0 209.201 2.048 20 5 BEBDRN COC(C)(C)[C@H](C)Nc1ncc([N+](=O)[O-])s1 ZINC000720243088 712829865 /nfs/dbraw/zinc/82/98/65/712829865.db2.gz RYJZCODMPROLGT-LURJTMIESA-N 0 0 245.304 2.277 20 5 BEBDRN N=CNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001167868014 961353037 /nfs/dbraw/zinc/35/30/37/961353037.db2.gz DBJFIXDJKWXELV-UHFFFAOYSA-N 0 0 204.189 2.095 20 5 BEBDRN CCO[C@@H](C)Sc1ccc([N+](=O)[O-])cn1 ZINC000901519488 966582000 /nfs/dbraw/zinc/58/20/00/966582000.db2.gz HIYUCHSFEZGLBT-SSDOTTSWSA-N 0 0 228.273 2.464 20 5 BEBDRN C[C@H](OCC(C)(C)O)c1ccccc1[N+](=O)[O-] ZINC001206052612 968010944 /nfs/dbraw/zinc/01/09/44/968010944.db2.gz QEHXERJRRZWZKN-VIFPVBQESA-N 0 0 239.271 2.443 20 5 BEBDRN Cc1ccc(OC[C@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000402472902 1166032527 /nfs/dbraw/zinc/03/25/27/1166032527.db2.gz JNAJYODUWMTMOC-NSHDSACASA-N 0 0 237.255 2.053 20 5 BEBDRN Cc1ccc(OC[C@@H](O)C2CC2)c([N+](=O)[O-])c1 ZINC000402472901 1166032560 /nfs/dbraw/zinc/03/25/60/1166032560.db2.gz JNAJYODUWMTMOC-LLVKDONJSA-N 0 0 237.255 2.053 20 5 BEBDRN CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC001332232387 975019288 /nfs/dbraw/zinc/01/92/88/975019288.db2.gz PLSVHICOXSRTRA-ZETCQYMHSA-N 0 0 212.224 2.404 20 5 BEBDRN Cc1ccc(OC[C@H]2CCO2)cc1[N+](=O)[O-] ZINC001226950489 975180371 /nfs/dbraw/zinc/18/03/71/975180371.db2.gz KFTNNSAECZDDJM-SNVBAGLBSA-N 0 0 223.228 2.071 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC[C@@H]1CCO1 ZINC001226994644 975213761 /nfs/dbraw/zinc/21/37/61/975213761.db2.gz FZIXCKQGECYIHU-JTQLQIEISA-N 0 0 223.228 2.071 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(O[C@@H](C)C2CC2)n1 ZINC001227067410 975251517 /nfs/dbraw/zinc/25/15/17/975251517.db2.gz XRXONVYNGUOCSL-QMMMGPOBSA-N 0 0 222.244 2.476 20 5 BEBDRN CC[C@H](COC)Oc1nc(C)ccc1[N+](=O)[O-] ZINC001227062203 975247913 /nfs/dbraw/zinc/24/79/13/975247913.db2.gz IYVGZZLSHHVNOF-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN COCCO[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001204971287 1167107182 /nfs/dbraw/zinc/10/71/82/1167107182.db2.gz SPQJCEAMUDSFDD-VIFPVBQESA-N 0 0 225.244 2.319 20 5 BEBDRN O=[N+]([O-])c1cc(OC2CC(O)C2)ccc1Cl ZINC000309225884 1167270671 /nfs/dbraw/zinc/27/06/71/1167270671.db2.gz CAIMRJWQADCOIM-UHFFFAOYSA-N 0 0 243.646 2.150 20 5 BEBDRN Cc1ccccc1OCCn1cc([N+](=O)[O-])cn1 ZINC000079078357 1167282794 /nfs/dbraw/zinc/28/27/94/1167282794.db2.gz APPLERYAHIDOBD-UHFFFAOYSA-N 0 0 247.254 2.179 20 5 BEBDRN CC[C@@H](Oc1ncncc1[N+](=O)[O-])C(C)C ZINC001228658917 976411293 /nfs/dbraw/zinc/41/12/93/976411293.db2.gz BYPKRRILYFDGPH-SECBINFHSA-N 0 0 225.248 2.198 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC(F)(F)C2)c(Cl)c1 ZINC001336990678 978111224 /nfs/dbraw/zinc/11/12/24/978111224.db2.gz DYOIJTMXTILJKG-UHFFFAOYSA-N 0 0 249.604 2.099 20 5 BEBDRN CCCC[C@H](C)C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001595864119 978143810 /nfs/dbraw/zinc/14/38/10/978143810.db2.gz JYZLAWJCCBXFGG-ZETCQYMHSA-N 0 0 240.263 2.083 20 5 BEBDRN O=C1CC(Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000085506445 1167802963 /nfs/dbraw/zinc/80/29/63/1167802963.db2.gz DEWXPKZWJDWZKE-UHFFFAOYSA-N 0 0 241.630 2.359 20 5 BEBDRN Cc1nc2ccc(NCC[N+](=O)[O-])cc2s1 ZINC001337856379 978530082 /nfs/dbraw/zinc/53/00/82/978530082.db2.gz VBSPCRGKRVKWIW-UHFFFAOYSA-N 0 0 237.284 2.293 20 5 BEBDRN Cc1cc(N2C[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])s1 ZINC000884591800 1168264579 /nfs/dbraw/zinc/26/45/79/1168264579.db2.gz ZHTCOURSGIWOIB-OCAPTIKFSA-N 0 0 224.285 2.421 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)/C=C/C(C)(C)C ZINC001345011280 980518612 /nfs/dbraw/zinc/51/86/12/980518612.db2.gz SQGXKULPDWGUJH-UCUJLANTSA-N 0 0 229.276 2.187 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1O[C@@H]1CCCOC1 ZINC000118826509 1169261762 /nfs/dbraw/zinc/26/17/62/1169261762.db2.gz ILQAQYFIVVDQEO-SECBINFHSA-N 0 0 241.218 2.292 20 5 BEBDRN C[C@H](OC1COC1)c1cccc([N+](=O)[O-])c1 ZINC001222688151 972634154 /nfs/dbraw/zinc/63/41/54/972634154.db2.gz UNHLPSABERKVMX-QMMMGPOBSA-N 0 0 223.228 2.071 20 5 BEBDRN CC(=O)[C@H](C)OCc1cccc(C)c1[N+](=O)[O-] ZINC001223661366 973220131 /nfs/dbraw/zinc/22/01/31/973220131.db2.gz PAEAULZQHUNQQX-JTQLQIEISA-N 0 0 237.255 2.397 20 5 BEBDRN C[C@@H](OCc1ccc([N+](=O)[O-])nc1)C1CC1 ZINC001224110029 973448817 /nfs/dbraw/zinc/44/88/17/973448817.db2.gz ZEXBPVHKODGUBG-MRVPVSSYSA-N 0 0 222.244 2.305 20 5 BEBDRN C[C@@H]1C[C@@H]1c1nnc(-c2cc([N+](=O)[O-])ccn2)o1 ZINC001256616811 970883111 /nfs/dbraw/zinc/88/31/11/970883111.db2.gz JLCGZCAHQKIFRH-SVRRBLITSA-N 0 0 246.226 2.163 20 5 BEBDRN O=[N+]([O-])CCc1nnc(CC2CCCCC2)o1 ZINC001257000211 971060821 /nfs/dbraw/zinc/06/08/21/971060821.db2.gz KIXWYBPPPNRPAC-UHFFFAOYSA-N 0 0 239.275 2.012 20 5 BEBDRN Nc1cncc(Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC001216481108 971093093 /nfs/dbraw/zinc/09/30/93/971093093.db2.gz GPLMCEVPKJVCCY-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN C=C=CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001216792571 971174547 /nfs/dbraw/zinc/17/45/47/971174547.db2.gz ASUFXXNUYVFDGN-UHFFFAOYSA-N 0 0 233.227 2.057 20 5 BEBDRN O=[N+]([O-])c1ccccc1Nc1ccon1 ZINC001206139962 974108108 /nfs/dbraw/zinc/10/81/08/974108108.db2.gz COOGAUIYNGUFON-UHFFFAOYSA-N 0 0 205.173 2.326 20 5 BEBDRN CC(C)c1nnc(-c2cccc([N+](=O)[O-])c2N)o1 ZINC001257698779 971490484 /nfs/dbraw/zinc/49/04/84/971490484.db2.gz NIAYFPADESYLBC-UHFFFAOYSA-N 0 0 248.242 2.350 20 5 BEBDRN C[C@@H](O[C@H]1C[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC001217899156 971504255 /nfs/dbraw/zinc/50/42/55/971504255.db2.gz ADAIUYBPJHNQCK-GGZOMVNGSA-N 0 0 237.255 2.196 20 5 BEBDRN Cc1cccc(O[C@@H](C[N+](=O)[O-])C2CC2)c1 ZINC001225242274 974299370 /nfs/dbraw/zinc/29/93/70/974299370.db2.gz QTGNQRAMNSTTOJ-LBPRGKRZSA-N 0 0 221.256 2.429 20 5 BEBDRN O=[N+]([O-])c1ccnc(N2C3CCC2CC3)c1 ZINC001159077584 971671565 /nfs/dbraw/zinc/67/15/65/971671565.db2.gz BCSWICPZMASKSN-UHFFFAOYSA-N 0 0 219.244 2.121 20 5 BEBDRN CC[C@@H](C)Oc1cc(=O)[nH]c(C)c1[N+](=O)[O-] ZINC001228686541 1169639385 /nfs/dbraw/zinc/63/93/85/1169639385.db2.gz OAPDZOIZJQTWTO-ZCFIWIBFSA-N 0 0 226.232 2.181 20 5 BEBDRN Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1C[C@H](O)C1 ZINC001218360267 971734604 /nfs/dbraw/zinc/73/46/04/971734604.db2.gz KOVUKYCUWWTUFM-XYPYZODXSA-N 0 0 237.255 2.114 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1C[C@H](O)C1 ZINC001218361040 971737592 /nfs/dbraw/zinc/73/75/92/971737592.db2.gz FGBVFFHYYLQHMT-ZKCHVHJHSA-N 0 0 243.646 2.150 20 5 BEBDRN CC[C@H](C)[C@H](C)Oc1cc[n+]([O-])cc1[N+](=O)[O-] ZINC001229451101 1169664339 /nfs/dbraw/zinc/66/43/39/1169664339.db2.gz BZDHETANPOFAJZ-IUCAKERBSA-N 0 0 240.259 2.042 20 5 BEBDRN Cc1ccc(OC[C@H]2C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001218428533 971808370 /nfs/dbraw/zinc/80/83/70/971808370.db2.gz LJCGICOEROAZBH-MGCOHNPYSA-N 0 0 237.255 2.053 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCOc1ccccc1 ZINC001170807030 971863800 /nfs/dbraw/zinc/86/38/00/971863800.db2.gz XZXHRQVGCXFEIH-UHFFFAOYSA-N 0 0 245.238 2.438 20 5 BEBDRN COc1cnc(Nc2cccc([N+](=O)[O-])c2)cn1 ZINC001204416332 956924786 /nfs/dbraw/zinc/92/47/86/956924786.db2.gz VOLHTSGXAYUDBP-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN COc1cncc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC001204416286 956933614 /nfs/dbraw/zinc/93/36/14/956933614.db2.gz ULDNSYSSDYRDKC-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1ccnnc1 ZINC001211285316 958137863 /nfs/dbraw/zinc/13/78/63/958137863.db2.gz DCTANBFHPJZOTP-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C1=CC[C@@H](C)CC1 ZINC001349805033 958830682 /nfs/dbraw/zinc/83/06/82/958830682.db2.gz DXPZZZMOHUXSHU-MWLCHTKSSA-N 0 0 241.287 2.331 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C1=CC[C@@H](C)CC1 ZINC001349805032 958832258 /nfs/dbraw/zinc/83/22/58/958832258.db2.gz DXPZZZMOHUXSHU-KOLCDFICSA-N 0 0 241.287 2.331 20 5 BEBDRN CC(=O)CNc1nccc2c1cccc2[N+](=O)[O-] ZINC001167628090 959121499 /nfs/dbraw/zinc/12/14/99/959121499.db2.gz OXXJLGGMYLENEQ-UHFFFAOYSA-N 0 0 245.238 2.144 20 5 BEBDRN CC(=O)CNc1ccnc2c1cccc2[N+](=O)[O-] ZINC001167629389 959124822 /nfs/dbraw/zinc/12/48/22/959124822.db2.gz LTIWZINPROYGRV-UHFFFAOYSA-N 0 0 245.238 2.144 20 5 BEBDRN CC(=O)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC001167630217 959134320 /nfs/dbraw/zinc/13/43/20/959134320.db2.gz GIUDCNKYWPTIRO-UHFFFAOYSA-N 0 0 245.238 2.144 20 5 BEBDRN C[C@H](O[C@H]1C[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC001217899739 959733241 /nfs/dbraw/zinc/73/32/41/959733241.db2.gz LQHOWOKKARLZJX-UWJYBYFXSA-N 0 0 237.255 2.196 20 5 BEBDRN Cc1oncc1CNc1ncc(C)cc1[N+](=O)[O-] ZINC001154880889 962879095 /nfs/dbraw/zinc/87/90/95/962879095.db2.gz OYBFEPDTJLRCJU-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NCC(C)(C)C ZINC001161636631 962907760 /nfs/dbraw/zinc/90/77/60/962907760.db2.gz HYNWUQCCPGOIGL-UHFFFAOYSA-N 0 0 239.275 2.456 20 5 BEBDRN Cc1ccc(OC[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC000302335723 963007176 /nfs/dbraw/zinc/00/71/76/963007176.db2.gz SZPFYRXZNSUHPN-GFCCVEGCSA-N 0 0 239.271 2.299 20 5 BEBDRN CC[C@H](C)Nc1cc([N+](=O)[O-])c2nccn2c1 ZINC001167998082 963202508 /nfs/dbraw/zinc/20/25/08/963202508.db2.gz AEUWGFNFHBDSOA-QMMMGPOBSA-N 0 0 234.259 2.453 20 5 BEBDRN CC[C@H](C)Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001167998046 963204140 /nfs/dbraw/zinc/20/41/40/963204140.db2.gz DKCCZELKHNZCRL-LURJTMIESA-N 0 0 245.666 2.092 20 5 BEBDRN O=[N+]([O-])c1ccc(F)c(F)c1OC1CC1 ZINC000713280963 963234512 /nfs/dbraw/zinc/23/45/12/963234512.db2.gz SUXXZVXLLDDLFZ-UHFFFAOYSA-N 0 0 215.155 2.414 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OC[C@@H]1CCO1 ZINC001226968948 963418720 /nfs/dbraw/zinc/41/87/20/963418720.db2.gz KCEHQDYHYGZDRS-VIFPVBQESA-N 0 0 223.228 2.071 20 5 BEBDRN Cc1c(C)c(NC2CSC2)ncc1[N+](=O)[O-] ZINC001157576409 963666692 /nfs/dbraw/zinc/66/66/92/963666692.db2.gz ARUNJZQIVMYKBV-UHFFFAOYSA-N 0 0 239.300 2.134 20 5 BEBDRN C[C@H](Oc1ncc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC001228302306 963737938 /nfs/dbraw/zinc/73/79/38/963737938.db2.gz JDMSXWZLTGOYHN-QMMMGPOBSA-N 0 0 233.227 2.458 20 5 BEBDRN C[C@@H](Oc1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC001228325434 963756695 /nfs/dbraw/zinc/75/66/95/963756695.db2.gz VYZUTOGQPLKBRW-MRVPVSSYSA-N 0 0 233.227 2.458 20 5 BEBDRN CCCNc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001168132867 963823972 /nfs/dbraw/zinc/82/39/72/963823972.db2.gz NVPWNIYXIHAPLM-UHFFFAOYSA-N 0 0 220.232 2.293 20 5 BEBDRN C/C=C/C(=O)Nc1ccc(C)c([N+](=O)[O-])c1N ZINC001158232203 963835661 /nfs/dbraw/zinc/83/56/61/963835661.db2.gz SVFIHPJEAFFJIG-ONEGZZNKSA-N 0 0 235.243 2.000 20 5 BEBDRN CCCC=Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC001159662530 964138633 /nfs/dbraw/zinc/13/86/33/964138633.db2.gz RZQNVYFVSQGKEQ-ONEGZZNKSA-N 0 0 228.639 2.374 20 5 BEBDRN CCC1(Nc2cccc(C)c2[N+](=O)[O-])COC1 ZINC001168323541 964452947 /nfs/dbraw/zinc/45/29/47/964452947.db2.gz IFZLZCKACHLUHN-UHFFFAOYSA-N 0 0 236.271 2.494 20 5 BEBDRN CCC[C@H](C)Nc1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001161716677 964705493 /nfs/dbraw/zinc/70/54/93/964705493.db2.gz HSUMRXMVFIHRFM-QMMMGPOBSA-N 0 0 239.275 2.137 20 5 BEBDRN Cc1oncc1CNc1cc([N+](=O)[O-])c(C)cn1 ZINC001162272121 964899648 /nfs/dbraw/zinc/89/96/48/964899648.db2.gz DDBBSELQTOISMQ-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CCCC[C@H]2F)cn1 ZINC001162511861 965009034 /nfs/dbraw/zinc/00/90/34/965009034.db2.gz BAKGTLYXMAURTE-HTQZYQBOSA-N 0 0 240.238 2.077 20 5 BEBDRN CC(C)CO[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001204923537 965025163 /nfs/dbraw/zinc/02/51/63/965025163.db2.gz PGBGLBRMHPMVQX-NSHDSACASA-N 0 0 224.260 2.072 20 5 BEBDRN C=C=CCNc1c(F)cccc1[N+](=O)[O-] ZINC001163398898 965392377 /nfs/dbraw/zinc/39/23/77/965392377.db2.gz ZLLIIEYLSILKDP-UHFFFAOYSA-N 0 0 208.192 2.487 20 5 BEBDRN CCN(C)c1nccc(Cl)c1[N+](=O)[O-] ZINC001163579677 965460081 /nfs/dbraw/zinc/46/00/81/965460081.db2.gz PCOPUPMUGFDXHP-UHFFFAOYSA-N 0 0 215.640 2.099 20 5 BEBDRN CCCN(CC)c1ccc([N+](=O)[O-])c(OC)n1 ZINC001163602189 965475317 /nfs/dbraw/zinc/47/53/17/965475317.db2.gz XLZCWNAHOTXMCQ-UHFFFAOYSA-N 0 0 239.275 2.235 20 5 BEBDRN CCCN(CC)c1cccc([N+](=O)[O-])n1 ZINC001163601854 965476037 /nfs/dbraw/zinc/47/60/37/965476037.db2.gz DDMZXVQBGKOUFE-UHFFFAOYSA-N 0 0 209.249 2.226 20 5 BEBDRN CC(C)N(C)c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001163619364 965483800 /nfs/dbraw/zinc/48/38/00/965483800.db2.gz OMOXHWZVJJFRJZ-UHFFFAOYSA-N 0 0 246.270 2.383 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N(C)CC(F)(F)F ZINC001163707537 965529641 /nfs/dbraw/zinc/52/96/41/965529641.db2.gz VEZCQRCUOCWUND-UHFFFAOYSA-N 0 0 249.192 2.297 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)nc(N2CC=CC2)c1 ZINC001163915422 965625006 /nfs/dbraw/zinc/62/50/06/965625006.db2.gz AIMUGUXMJXFKPM-UHFFFAOYSA-N 0 0 225.635 2.019 20 5 BEBDRN CCCCSCC(=O)O[C@@H](CC)C[N+](=O)[O-] ZINC001123255138 966096658 /nfs/dbraw/zinc/09/66/58/966096658.db2.gz IUPCJIDPJBMAHV-VIFPVBQESA-N 0 0 249.332 2.118 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CC[C@@H](C)SC ZINC001123354960 966135500 /nfs/dbraw/zinc/13/55/00/966135500.db2.gz IFPCMTINADWSGB-RKDXNWHRSA-N 0 0 249.332 2.117 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)CC[C@H](C)SC ZINC001123354958 966135580 /nfs/dbraw/zinc/13/55/80/966135580.db2.gz IFPCMTINADWSGB-DTWKUNHWSA-N 0 0 249.332 2.117 20 5 BEBDRN COc1ncccc1Nc1ccc([N+](=O)[O-])nc1 ZINC001203560798 966691240 /nfs/dbraw/zinc/69/12/40/966691240.db2.gz PSDGMAOQGJQVTQ-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2cnccn2)c1 ZINC001204408267 966978606 /nfs/dbraw/zinc/97/86/06/966978606.db2.gz XHEJVMNVZQSKGZ-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN CCN(C)c1nc(Cl)cc(C)c1[N+](=O)[O-] ZINC001163582699 968073606 /nfs/dbraw/zinc/07/36/06/968073606.db2.gz DVWMXYYVUMPFHM-UHFFFAOYSA-N 0 0 229.667 2.408 20 5 BEBDRN COc1cnc(Nc2ccccc2[N+](=O)[O-])cn1 ZINC001206144075 968083208 /nfs/dbraw/zinc/08/32/08/968083208.db2.gz DKCJAFHNPNBLPU-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN O=[N+]([O-])c1ccccc1Nc1cncc(CO)c1 ZINC001206150090 968086616 /nfs/dbraw/zinc/08/66/16/968086616.db2.gz BAFCGHRQHRTYOV-UHFFFAOYSA-N 0 0 245.238 2.226 20 5 BEBDRN Nc1cn(-c2ccccc2[N+](=O)[O-])nc1Cl ZINC001206150095 968087800 /nfs/dbraw/zinc/08/78/00/968087800.db2.gz BDPGLJJBJGZIBP-UHFFFAOYSA-N 0 0 238.634 2.016 20 5 BEBDRN CC(C)N(C)c1ncnc2cccc([N+](=O)[O-])c21 ZINC001163622836 968088305 /nfs/dbraw/zinc/08/83/05/968088305.db2.gz XCLVLIGEDBCUMF-UHFFFAOYSA-N 0 0 246.270 2.383 20 5 BEBDRN O=[N+]([O-])c1c(Cl)ccnc1N1CCCCO1 ZINC001163928548 968143829 /nfs/dbraw/zinc/14/38/29/968143829.db2.gz OWOYLCCNGOCOIP-UHFFFAOYSA-N 0 0 243.650 2.175 20 5 BEBDRN C[C@@H]1COC[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC000829434693 968833398 /nfs/dbraw/zinc/83/33/98/968833398.db2.gz YVJARFGNXBYUOR-GMSGAONNSA-N 0 0 240.234 2.181 20 5 BEBDRN Cc1nnc(-c2cc3cc([N+](=O)[O-])ccc3[nH]2)o1 ZINC001253382646 969146592 /nfs/dbraw/zinc/14/65/92/969146592.db2.gz OQTWAIUMXRTXDW-UHFFFAOYSA-N 0 0 244.210 2.435 20 5 BEBDRN Cc1nnc(Cc2cc(C)ccc2[N+](=O)[O-])o1 ZINC001253415217 969166911 /nfs/dbraw/zinc/16/69/11/969166911.db2.gz HGBWDNPWCXBDFH-UHFFFAOYSA-N 0 0 233.227 2.185 20 5 BEBDRN Cc1nnc(Cc2cc([N+](=O)[O-])ccc2C)o1 ZINC001253414737 969167147 /nfs/dbraw/zinc/16/71/47/969167147.db2.gz DIQDUTJKHNWRDC-UHFFFAOYSA-N 0 0 233.227 2.185 20 5 BEBDRN Cc1nnc(-c2cc([N+](=O)[O-])c(F)cc2F)o1 ZINC001253456248 969183156 /nfs/dbraw/zinc/18/31/56/969183156.db2.gz AUKAPDSAXBFCRM-UHFFFAOYSA-N 0 0 241.153 2.231 20 5 BEBDRN Cc1nnc(-c2cc([N+](=O)[O-])c(C)cc2F)o1 ZINC001253471123 969189895 /nfs/dbraw/zinc/18/98/95/969189895.db2.gz UADNIUMMCGPGKI-UHFFFAOYSA-N 0 0 237.190 2.401 20 5 BEBDRN CCCc1nnc(-c2ccc([N+](=O)[O-])o2)o1 ZINC001253938322 969425487 /nfs/dbraw/zinc/42/54/87/969425487.db2.gz FRYPDNRVBKTCAM-UHFFFAOYSA-N 0 0 223.188 2.190 20 5 BEBDRN Cc1coc(Nc2ccc(N)c([N+](=O)[O-])c2)n1 ZINC001209932078 969696350 /nfs/dbraw/zinc/69/63/50/969696350.db2.gz JRBWPRDOKAXFIQ-UHFFFAOYSA-N 0 0 234.215 2.217 20 5 BEBDRN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCCO1 ZINC001254550676 969736941 /nfs/dbraw/zinc/73/69/41/969736941.db2.gz OMPMLRAAIWBEQR-JTQLQIEISA-N 0 0 236.271 2.163 20 5 BEBDRN C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CC(F)C1 ZINC001254551150 969738844 /nfs/dbraw/zinc/73/88/44/969738844.db2.gz YZQYSMZOHMIJAO-VIFPVBQESA-N 0 0 238.262 2.180 20 5 BEBDRN CCc1nnc(-c2ccc([N+](=O)[O-])s2)o1 ZINC001255060938 969867770 /nfs/dbraw/zinc/86/77/70/969867770.db2.gz ISYKYHXSDNNBBW-UHFFFAOYSA-N 0 0 225.229 2.269 20 5 BEBDRN CCc1nnc(/C=C/c2ccc([N+](=O)[O-])o2)o1 ZINC001255078748 969872677 /nfs/dbraw/zinc/87/26/77/969872677.db2.gz ATHIMLNFTQCTBG-HWKANZROSA-N 0 0 235.199 2.304 20 5 BEBDRN Cn1nccc1Nc1cccc([N+](=O)[O-])c1F ZINC001210378176 969880814 /nfs/dbraw/zinc/88/08/14/969880814.db2.gz AXIUFAHDFQQMFE-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN O=[N+]([O-])c1cccc(Nc2ncco2)c1F ZINC001210378670 969880891 /nfs/dbraw/zinc/88/08/91/969880891.db2.gz MMKDPTIEPXIEGL-UHFFFAOYSA-N 0 0 223.163 2.466 20 5 BEBDRN O=c1[nH]cccc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210392657 969881575 /nfs/dbraw/zinc/88/15/75/969881575.db2.gz GMTPUJALFQDFJP-UHFFFAOYSA-N 0 0 247.210 2.145 20 5 BEBDRN O=[N+]([O-])c1cc(Nc2cnoc2)ccc1O ZINC001210392655 969882474 /nfs/dbraw/zinc/88/24/74/969882474.db2.gz GCMZDLPBZNRNKC-UHFFFAOYSA-N 0 0 221.172 2.032 20 5 BEBDRN CCc1nnc(Cc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC001255091704 969927829 /nfs/dbraw/zinc/92/78/29/969927829.db2.gz RXMUFPZMLAHXPM-UHFFFAOYSA-N 0 0 247.254 2.439 20 5 BEBDRN Cn1cc(Nc2ccc(F)c([N+](=O)[O-])c2)cn1 ZINC001211189550 970169674 /nfs/dbraw/zinc/16/96/74/970169674.db2.gz XRMOIDJOCSXRTG-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1Nc1cccnn1 ZINC001211284803 970217314 /nfs/dbraw/zinc/21/73/14/970217314.db2.gz NDAKTXXTBBZHKV-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN Cc1ccc(Nc2ccnn2C)cc1[N+](=O)[O-] ZINC001213659957 970370061 /nfs/dbraw/zinc/37/00/61/970370061.db2.gz IXTDMLMUTRDKBU-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN Cc1ccc(-n2cccc2N)cc1[N+](=O)[O-] ZINC001213665774 970374319 /nfs/dbraw/zinc/37/43/19/970374319.db2.gz KYLUAAKPSAVEPA-UHFFFAOYSA-N 0 0 217.228 2.276 20 5 BEBDRN Cc1ccc(Nc2cnns2)cc1[N+](=O)[O-] ZINC001213663626 970374730 /nfs/dbraw/zinc/37/47/30/970374730.db2.gz PRYZWHNHDZWIJR-UHFFFAOYSA-N 0 0 236.256 2.498 20 5 BEBDRN Cc1ccc(Nc2c[nH]ccc2=O)cc1[N+](=O)[O-] ZINC001213665702 970376576 /nfs/dbraw/zinc/37/65/76/970376576.db2.gz HHLJOEZVGKVOHW-UHFFFAOYSA-N 0 0 245.238 2.335 20 5 BEBDRN Cc1ccc(Nc2ccncn2)c([N+](=O)[O-])c1 ZINC001214165323 970442824 /nfs/dbraw/zinc/44/28/24/970442824.db2.gz QJCUYGWHVXZUDR-UHFFFAOYSA-N 0 0 230.227 2.437 20 5 BEBDRN O=[N+]([O-])C[C@H](OCC1CCCC1)C1CC1 ZINC001222709200 972657549 /nfs/dbraw/zinc/65/75/49/972657549.db2.gz VKIRIBHRSSHNET-NSHDSACASA-N 0 0 213.277 2.249 20 5 BEBDRN CC(=O)[C@@H](C)OCc1ccccc1[N+](=O)[O-] ZINC001222760262 972686976 /nfs/dbraw/zinc/68/69/76/972686976.db2.gz MFCKCQDLFCXRIP-SECBINFHSA-N 0 0 223.228 2.089 20 5 BEBDRN C[C@@H](OCc1ncon1)c1cccc([N+](=O)[O-])c1 ZINC001222895370 972727926 /nfs/dbraw/zinc/72/79/26/972727926.db2.gz PFQUGPDGQFDUHO-MRVPVSSYSA-N 0 0 249.226 2.256 20 5 BEBDRN CC(=O)[C@H](C)OCc1ccc(C)c([N+](=O)[O-])c1 ZINC001223224123 972891587 /nfs/dbraw/zinc/89/15/87/972891587.db2.gz JFRWFOQMMGCAQP-JTQLQIEISA-N 0 0 237.255 2.397 20 5 BEBDRN CO[C@H](C)COCc1cccc([N+](=O)[O-])c1C ZINC001223332871 972961979 /nfs/dbraw/zinc/96/19/79/972961979.db2.gz VIXFFKPJYZRVEC-SECBINFHSA-N 0 0 239.271 2.455 20 5 BEBDRN COc1ccc(COC2CC2)c([N+](=O)[O-])c1 ZINC001223516666 973130591 /nfs/dbraw/zinc/13/05/91/973130591.db2.gz FQISUWGTAFXNND-UHFFFAOYSA-N 0 0 223.228 2.282 20 5 BEBDRN COC[C@H](C)OCc1c(C)cccc1[N+](=O)[O-] ZINC001223535111 973136046 /nfs/dbraw/zinc/13/60/46/973136046.db2.gz DHWZPYMIHOWOCW-JTQLQIEISA-N 0 0 239.271 2.455 20 5 BEBDRN CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C(C)(C)C ZINC001328591687 973172960 /nfs/dbraw/zinc/17/29/60/973172960.db2.gz DWDKHTCUIRTGDZ-UHFFFAOYSA-N 0 0 244.335 2.469 20 5 BEBDRN Cc1cnc(CO[C@H](C[N+](=O)[O-])C2CC2)s1 ZINC001223859681 973309437 /nfs/dbraw/zinc/30/94/37/973309437.db2.gz KXVIZQLHSPQNCP-SECBINFHSA-N 0 0 242.300 2.023 20 5 BEBDRN C[C@@H]1C[C@@H]1COC(=O)c1ccc([N+](=O)[O-])s1 ZINC001328847646 973372602 /nfs/dbraw/zinc/37/26/02/973372602.db2.gz GWHQOSWDPGTWDV-RNFRBKRXSA-N 0 0 241.268 2.469 20 5 BEBDRN C[C@H](OC1CC(=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC001224021641 973408757 /nfs/dbraw/zinc/40/87/57/973408757.db2.gz AXSYYCQJJFJMNN-QMMMGPOBSA-N 0 0 235.239 2.404 20 5 BEBDRN O=[N+]([O-])C[C@@H](O[C@H]1Cc2ccccc21)C1CC1 ZINC001224062421 973436585 /nfs/dbraw/zinc/43/65/85/973436585.db2.gz LNWAGECUVQLPDH-QWHCGFSZSA-N 0 0 233.267 2.356 20 5 BEBDRN CC(=O)[C@@H](C)OCCc1ccc([N+](=O)[O-])cc1 ZINC001224331648 973555060 /nfs/dbraw/zinc/55/50/60/973555060.db2.gz QVSGKHZCTBGODS-SNVBAGLBSA-N 0 0 237.255 2.131 20 5 BEBDRN CC1(C)CC(CO[C@@H](C[N+](=O)[O-])C2CC2)C1 ZINC001224768308 973932088 /nfs/dbraw/zinc/93/20/88/973932088.db2.gz CFTGKAQORDVOTK-NSHDSACASA-N 0 0 227.304 2.495 20 5 BEBDRN COc1ncc(Nc2ccccc2[N+](=O)[O-])cn1 ZINC001206144378 974133076 /nfs/dbraw/zinc/13/30/76/974133076.db2.gz JMLGWVSBRMKZKQ-UHFFFAOYSA-N 0 0 246.226 2.137 20 5 BEBDRN Cc1ccccc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001225217308 974246278 /nfs/dbraw/zinc/24/62/78/974246278.db2.gz WGKMARVWPQYQTL-LBPRGKRZSA-N 0 0 221.256 2.429 20 5 BEBDRN O=[N+]([O-])C[C@@H](Oc1cccnc1Cl)C1CC1 ZINC001225588056 974576338 /nfs/dbraw/zinc/57/63/38/974576338.db2.gz MAQPHNWXJXMVFT-SECBINFHSA-N 0 0 242.662 2.169 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1ccc(Cl)nc1)C1CC1 ZINC001225599427 974583083 /nfs/dbraw/zinc/58/30/83/974583083.db2.gz UZTRAVNWCCMLBC-VIFPVBQESA-N 0 0 242.662 2.169 20 5 BEBDRN CCOC[C@@H](C)Oc1cc(C)c([N+](=O)[O-])cn1 ZINC001225661249 974631957 /nfs/dbraw/zinc/63/19/57/974631957.db2.gz JKGCAEQTKWQRIU-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1cc(OCCOC(C)C)ncc1[N+](=O)[O-] ZINC001225662988 974632696 /nfs/dbraw/zinc/63/26/96/974632696.db2.gz PLGHOGWFZWAPHD-UHFFFAOYSA-N 0 0 240.259 2.102 20 5 BEBDRN O=c1cc[nH]c(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c1[N+](=O)[O-] ZINC001225666723 974633934 /nfs/dbraw/zinc/63/39/34/974633934.db2.gz LLSYKOWCAWXXQS-QXFUBDJGSA-N 0 0 248.238 2.039 20 5 BEBDRN C[C@H]1CC[C@@H](Oc2[nH]ccc(=O)c2[N+](=O)[O-])C1 ZINC001225665967 974634597 /nfs/dbraw/zinc/63/45/97/974634597.db2.gz DVBWUANJSYEKCS-JGVFFNPUSA-N 0 0 238.243 2.263 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC[C@H]2CCO2)c1 ZINC001225681835 974641568 /nfs/dbraw/zinc/64/15/68/974641568.db2.gz FEYPPGXKFQBUOC-SECBINFHSA-N 0 0 223.228 2.071 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CC[C@H](CF)C1 ZINC001331269757 974666439 /nfs/dbraw/zinc/66/64/39/974666439.db2.gz NKGUXRNAUPIIIH-SECBINFHSA-N 0 0 239.250 2.094 20 5 BEBDRN CC(=O)c1cccc(O[C@H](C[N+](=O)[O-])C2CC2)c1 ZINC001225814658 974692892 /nfs/dbraw/zinc/69/28/92/974692892.db2.gz PYVMZRSNUIVQPJ-CYBMUJFWSA-N 0 0 249.266 2.323 20 5 BEBDRN C[C@H]1COC[C@@H]1Oc1ccc([N+](=O)[O-])cc1F ZINC001225947695 974740185 /nfs/dbraw/zinc/74/01/85/974740185.db2.gz IJCZOQYWPLEAKK-CPCISQLKSA-N 0 0 241.218 2.148 20 5 BEBDRN COC[C@H](C)Oc1ncc(Cl)cc1[N+](=O)[O-] ZINC001226130660 974803185 /nfs/dbraw/zinc/80/31/85/974803185.db2.gz SSPMZHFQNXXMDU-LURJTMIESA-N 0 0 246.650 2.057 20 5 BEBDRN C[C@H](Oc1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC001226398495 974880397 /nfs/dbraw/zinc/88/03/97/974880397.db2.gz QCNFBLGHBIJWSD-VIFPVBQESA-N 0 0 247.254 2.468 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)cn1 ZINC001226710207 975041171 /nfs/dbraw/zinc/04/11/71/975041171.db2.gz OUNREHRWUCRODQ-IQJOONFLSA-N 0 0 232.239 2.333 20 5 BEBDRN CC(C)[C@@H](C)Oc1ccc([N+](=O)[O-])nc1 ZINC001226710811 975041758 /nfs/dbraw/zinc/04/17/58/975041758.db2.gz VSCQCADZWIMIND-MRVPVSSYSA-N 0 0 210.233 2.413 20 5 BEBDRN O=[N+]([O-])c1ccc(O[C@H]2C[C@H]3C=C[C@@H]2C3)cn1 ZINC001226710208 975041803 /nfs/dbraw/zinc/04/18/03/975041803.db2.gz OUNREHRWUCRODQ-NGZCFLSTSA-N 0 0 232.239 2.333 20 5 BEBDRN CC1CCC(Oc2ncc([N+](=O)[O-])cn2)CC1 ZINC001226732114 975051584 /nfs/dbraw/zinc/05/15/84/975051584.db2.gz UBCBMYMQLMCKHR-UHFFFAOYSA-N 0 0 237.259 2.342 20 5 BEBDRN CC[C@H](C)[C@@H](C)Oc1ncc([N+](=O)[O-])cn1 ZINC001226733019 975051935 /nfs/dbraw/zinc/05/19/35/975051935.db2.gz DWMBPKXRAMVNRV-JGVFFNPUSA-N 0 0 225.248 2.198 20 5 BEBDRN CC1=C(Oc2cccc([N+](=O)[O-])c2)C(=O)O[C@H]1C ZINC001226763013 975064445 /nfs/dbraw/zinc/06/44/45/975064445.db2.gz GTIIDHSSFYGJNS-QMMMGPOBSA-N 0 0 249.222 2.193 20 5 BEBDRN O=[N+]([O-])c1cccc(O[C@@H]2CCOC[C@@H]2F)c1 ZINC001226767191 975067964 /nfs/dbraw/zinc/06/79/64/975067964.db2.gz HPMSEXJBJINSNO-WDEREUQCSA-N 0 0 241.218 2.101 20 5 BEBDRN C[C@H]1COCC[C@@H]1Oc1cccc([N+](=O)[O-])c1 ZINC001226767063 975069135 /nfs/dbraw/zinc/06/91/35/975069135.db2.gz HBFCWHADDJDOMX-CABZTGNLSA-N 0 0 237.255 2.399 20 5 BEBDRN C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NCC(F)F ZINC001173213044 975077016 /nfs/dbraw/zinc/07/70/16/975077016.db2.gz CZVQNWTYEJWJSY-QMMMGPOBSA-N 0 0 244.241 2.381 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)c(OC[C@@H]2CCO2)c1 ZINC001226811401 975095550 /nfs/dbraw/zinc/09/55/50/975095550.db2.gz YLNKEUFFQFSFKD-QMMMGPOBSA-N 0 0 243.646 2.416 20 5 BEBDRN COC[C@H](C)Oc1c(C)cccc1[N+](=O)[O-] ZINC001226968317 975194958 /nfs/dbraw/zinc/19/49/58/975194958.db2.gz GJJZSDSQONVSCO-VIFPVBQESA-N 0 0 225.244 2.317 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1O[C@@H]1CCOC1 ZINC001226995827 975211793 /nfs/dbraw/zinc/21/17/93/975211793.db2.gz OQYVVZAXBZQKEO-SNVBAGLBSA-N 0 0 223.228 2.071 20 5 BEBDRN CC[C@@H](COc1nc(C)ccc1[N+](=O)[O-])OC ZINC001227063209 975247990 /nfs/dbraw/zinc/24/79/90/975247990.db2.gz BUUPLFTZNXVRTF-VIFPVBQESA-N 0 0 240.259 2.102 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OC2CC(F)(F)C2)n1 ZINC001227063081 975249388 /nfs/dbraw/zinc/24/93/88/975249388.db2.gz ZYHXMLQQKUXEDQ-UHFFFAOYSA-N 0 0 244.197 2.475 20 5 BEBDRN CC1=C[C@H](Oc2ccccc2[N+](=O)[O-])CC(=O)O1 ZINC001227480292 975462835 /nfs/dbraw/zinc/46/28/35/975462835.db2.gz LIUWUNVLFBYZRE-VIFPVBQESA-N 0 0 249.222 2.193 20 5 BEBDRN O=C1CCC(Oc2ccccc2[N+](=O)[O-])CC1 ZINC001227483466 975467334 /nfs/dbraw/zinc/46/73/34/975467334.db2.gz YBWNAFBKLQMVNE-UHFFFAOYSA-N 0 0 235.239 2.485 20 5 BEBDRN C[C@H]1COCC[C@@H]1Oc1ccccc1[N+](=O)[O-] ZINC001227484597 975470778 /nfs/dbraw/zinc/47/07/78/975470778.db2.gz SRWCFKYFAFFTRB-ONGXEEELSA-N 0 0 237.255 2.399 20 5 BEBDRN COC(=O)c1cccc(OC(C)C)c1[N+](=O)[O-] ZINC001227891886 975771204 /nfs/dbraw/zinc/77/12/04/975771204.db2.gz GKIJELWTUPHGJS-UHFFFAOYSA-N 0 0 239.227 2.169 20 5 BEBDRN O=[N+]([O-])c1cncc(O[C@@H]2C[C@H]3C=C[C@@H]2C3)c1 ZINC001227988435 975834746 /nfs/dbraw/zinc/83/47/46/975834746.db2.gz SLYBHVFNPYEJLJ-YGOYTEALSA-N 0 0 232.239 2.333 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NC/C=C\C1CC1 ZINC001333720020 976025181 /nfs/dbraw/zinc/02/51/81/976025181.db2.gz UUFBVKLDRQHXBI-IHWYPQMZSA-N 0 0 249.270 2.377 20 5 BEBDRN C[C@@H](Oc1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC001228314247 976100106 /nfs/dbraw/zinc/10/01/06/976100106.db2.gz FWAOSVLBUNUJBU-SECBINFHSA-N 0 0 247.254 2.468 20 5 BEBDRN O=[N+]([O-])c1c(F)cc(F)cc1OC[C@@H]1CCO1 ZINC001228610714 976381618 /nfs/dbraw/zinc/38/16/18/976381618.db2.gz YGBILOPXYLYXKN-ZETCQYMHSA-N 0 0 245.181 2.041 20 5 BEBDRN Cc1cc(O[C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC001228832925 976506591 /nfs/dbraw/zinc/50/65/91/976506591.db2.gz GDMRIZITTALLEM-LLVKDONJSA-N 0 0 237.255 2.461 20 5 BEBDRN O=[N+]([O-])c1ccncc1OC1CC(F)(F)C1 ZINC001228879846 976544438 /nfs/dbraw/zinc/54/44/38/976544438.db2.gz LWDNHEKIULKHTR-UHFFFAOYSA-N 0 0 230.170 2.166 20 5 BEBDRN O=[N+]([O-])c1ccncc1O[C@H]1C=CCC1 ZINC001228880974 976547323 /nfs/dbraw/zinc/54/73/23/976547323.db2.gz BYECRAUPTFYYPQ-QMMMGPOBSA-N 0 0 206.201 2.087 20 5 BEBDRN CCCOC[C@H](C)Oc1cnccc1[N+](=O)[O-] ZINC001228880195 976548732 /nfs/dbraw/zinc/54/87/32/976548732.db2.gz QWHQAZRQDQECHY-VIFPVBQESA-N 0 0 240.259 2.184 20 5 BEBDRN O=[N+]([O-])C[C@H](Oc1ncccc1C1CC1)C1CC1 ZINC001229014080 976654696 /nfs/dbraw/zinc/65/46/96/976654696.db2.gz AKRALICUIAMTPH-LBPRGKRZSA-N 0 0 248.282 2.393 20 5 BEBDRN O=[N+]([O-])/C=C/c1ccc(OC[C@H]2CCCO2)cc1 ZINC001229120336 976757748 /nfs/dbraw/zinc/75/77/48/976757748.db2.gz XXNWMLQEDVRULH-SBDDDAINSA-N 0 0 249.266 2.492 20 5 BEBDRN Cn1cnc(Nc2ccc([N+](=O)[O-])cc2)c1 ZINC001174475272 976791666 /nfs/dbraw/zinc/79/16/66/976791666.db2.gz DXZIIKVRBLKPNX-UHFFFAOYSA-N 0 0 218.216 2.072 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccncn2)cc1 ZINC001174475741 976792714 /nfs/dbraw/zinc/79/27/14/976792714.db2.gz QTWRLTPHXJIMPR-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2ccnnc2)cc1 ZINC001174475346 976793630 /nfs/dbraw/zinc/79/36/30/976793630.db2.gz IQZCSWVSJJFFBV-UHFFFAOYSA-N 0 0 216.200 2.128 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cncc(O)c2)cc1 ZINC001174475444 976794396 /nfs/dbraw/zinc/79/43/96/976794396.db2.gz LBKZLPLIMUATHV-UHFFFAOYSA-N 0 0 231.211 2.439 20 5 BEBDRN Cc1cc(OC2COC2)c([N+](=O)[O-])cc1Cl ZINC001229979558 977042748 /nfs/dbraw/zinc/04/27/48/977042748.db2.gz SRRHVEHFSUDKIS-UHFFFAOYSA-N 0 0 243.646 2.334 20 5 BEBDRN Cc1ccc(O[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC001230144315 977118733 /nfs/dbraw/zinc/11/87/33/977118733.db2.gz UQAULCWEBOMKDE-SECBINFHSA-N 0 0 223.228 2.071 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(C)cc1OC[C@H]1CCO1 ZINC001230723909 977316197 /nfs/dbraw/zinc/31/61/97/977316197.db2.gz QEIGJOCLKQBNAL-SNVBAGLBSA-N 0 0 237.255 2.379 20 5 BEBDRN Nc1cccnc1Nc1cc([N+](=O)[O-])ccc1F ZINC001175734360 977669345 /nfs/dbraw/zinc/66/93/45/977669345.db2.gz GDIJERLRPHGIBC-UHFFFAOYSA-N 0 0 248.217 2.455 20 5 BEBDRN Cn1ccnc1Nc1cc([N+](=O)[O-])ccc1F ZINC001175734386 977671144 /nfs/dbraw/zinc/67/11/44/977671144.db2.gz HAZICNPYJKOBQY-UHFFFAOYSA-N 0 0 236.206 2.211 20 5 BEBDRN O=c1cc[nH]cc1Nc1cc([N+](=O)[O-])ccc1F ZINC001175736043 977671979 /nfs/dbraw/zinc/67/19/79/977671979.db2.gz UKAXMJFEWYGHHJ-UHFFFAOYSA-N 0 0 249.201 2.166 20 5 BEBDRN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1F ZINC001336528432 977753405 /nfs/dbraw/zinc/75/34/05/977753405.db2.gz XJZPZRVEZHXLMZ-XPUUQOCRSA-N 0 0 242.181 2.030 20 5 BEBDRN C[C@H]1CC[C@H](Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337130021 978177933 /nfs/dbraw/zinc/17/79/33/978177933.db2.gz ALWBNJBBHKCBTL-YUMQZZPRSA-N 0 0 236.275 2.173 20 5 BEBDRN C[C@@H]1CC[C@@H](Nc2cc(N)c([N+](=O)[O-])cn2)C1 ZINC001337130018 978179246 /nfs/dbraw/zinc/17/92/46/978179246.db2.gz ALWBNJBBHKCBTL-HTQZYQBOSA-N 0 0 236.275 2.173 20 5 BEBDRN Cc1ccc(NC(=O)[C@H]2C[C@@H]2F)cc1[N+](=O)[O-] ZINC001337795057 978499503 /nfs/dbraw/zinc/49/95/03/978499503.db2.gz JTGKJNBVJVCDFC-IUCAKERBSA-N 0 0 238.218 2.200 20 5 BEBDRN Cc1cc(NC(=O)[C@@H]2C[C@H]2F)cc([N+](=O)[O-])c1 ZINC001337878349 978547275 /nfs/dbraw/zinc/54/72/75/978547275.db2.gz HIIRUVMJPCDBPT-NXEZZACHSA-N 0 0 238.218 2.200 20 5 BEBDRN C[C@@H](O)C(C)(C)CNc1ccccc1[N+](=O)[O-] ZINC001338141017 978619986 /nfs/dbraw/zinc/61/99/86/978619986.db2.gz FZEIYIWVRCCRSR-SECBINFHSA-N 0 0 238.287 2.414 20 5 BEBDRN O=[N+]([O-])c1cc(OC[C@@H]2CCC=CO2)ccn1 ZINC001233854916 978713005 /nfs/dbraw/zinc/71/30/05/978713005.db2.gz MESYWYOTRPYQQT-JTQLQIEISA-N 0 0 236.227 2.061 20 5 BEBDRN CC[C@H](C)Oc1c(C)nccc1[N+](=O)[O-] ZINC001234903607 978928272 /nfs/dbraw/zinc/92/82/72/978928272.db2.gz OOMXRAYHDCCOGQ-ZETCQYMHSA-N 0 0 210.233 2.476 20 5 BEBDRN Nc1ccc(NCc2ccncc2)c([N+](=O)[O-])c1 ZINC000071558805 979218267 /nfs/dbraw/zinc/21/82/67/979218267.db2.gz CCKQKLVIFGLMIJ-UHFFFAOYSA-N 0 0 244.254 2.184 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cc(F)ccn2)cn1 ZINC001203561194 979790986 /nfs/dbraw/zinc/79/09/86/979790986.db2.gz UWLBXHSHHQIBDL-UHFFFAOYSA-N 0 0 234.190 2.268 20 5 BEBDRN O=C(NC/C=C\C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC001344010902 980314525 /nfs/dbraw/zinc/31/45/25/980314525.db2.gz CUSBCCLVHAIFND-UPHRSURJSA-N 0 0 246.266 2.291 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CC=CCC1 ZINC001344404956 980389176 /nfs/dbraw/zinc/38/91/76/980389176.db2.gz XVAWHIMIMSWEHX-GHMZBOCLSA-N 0 0 241.287 2.331 20 5 BEBDRN CCCNC(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001344876054 980492168 /nfs/dbraw/zinc/49/21/68/980492168.db2.gz QQASPSHOBPCLOW-UHFFFAOYSA-N 0 0 237.259 2.435 20 5 BEBDRN O=[N+]([O-])c1cnccc1NCC1(CC2CC2)CC1 ZINC001187479500 980529708 /nfs/dbraw/zinc/52/97/08/980529708.db2.gz SMGQIPZPXDFEHF-UHFFFAOYSA-N 0 0 247.298 2.404 20 5 BEBDRN O=[N+]([O-])c1cnc(NC/C=C/Cl)s1 ZINC001187823616 980555825 /nfs/dbraw/zinc/55/58/25/980555825.db2.gz FJVDNMXLKYBSML-OWOJBTEDSA-N 0 0 219.653 2.216 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1cccc(F)c1 ZINC001345696184 980674303 /nfs/dbraw/zinc/67/43/03/980674303.db2.gz ZRONILNZTCDYRZ-SNVBAGLBSA-N 0 0 241.218 2.038 20 5 BEBDRN O=[N+]([O-])c1ncn(CC/C=C/c2ccccc2)n1 ZINC001188642993 980687075 /nfs/dbraw/zinc/68/70/75/980687075.db2.gz RMWGOTNFSBLYJT-XBXARRHUSA-N 0 0 244.254 2.290 20 5 BEBDRN Cn1nc(-c2cccc([N+](=O)[O-])c2)nc1Cl ZINC001190177937 980856848 /nfs/dbraw/zinc/85/68/48/980856848.db2.gz NVRGARDKGTVMAP-UHFFFAOYSA-N 0 0 238.634 2.044 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)C[C@H](OCC1CC1)C2 ZINC001205533976 980886168 /nfs/dbraw/zinc/88/61/68/980886168.db2.gz KILBQCJYQPCFFH-CYBMUJFWSA-N 0 0 233.267 2.489 20 5 BEBDRN Cc1ccc(N(C)Cc2cn[nH]c2)c([N+](=O)[O-])c1 ZINC001348323523 981334051 /nfs/dbraw/zinc/33/40/51/981334051.db2.gz KFFKMOWPMNHVRZ-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN C[C@H](COC(=O)C1(C)CCC(C)CC1)[N+](=O)[O-] ZINC001348532615 981382625 /nfs/dbraw/zinc/38/26/25/981382625.db2.gz FYRIBDIZLYOWMO-SQLBVSGCSA-N 0 0 243.303 2.411 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001349805914 981751523 /nfs/dbraw/zinc/75/15/23/981751523.db2.gz PELOJZRWFSLZMW-OUAUKWLOSA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C(C)(C)C1CC1 ZINC001349804990 981753564 /nfs/dbraw/zinc/75/35/64/981753564.db2.gz DITVHTJYRKDEKJ-SECBINFHSA-N 0 0 229.276 2.021 20 5 BEBDRN CC(C)(C)C(=O)OCc1cccnc1[N+](=O)[O-] ZINC001349947845 981823934 /nfs/dbraw/zinc/82/39/34/981823934.db2.gz RSIIJWUSEXJIGM-UHFFFAOYSA-N 0 0 238.243 2.079 20 5 BEBDRN C=C/C=C\CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001583687703 981832317 /nfs/dbraw/zinc/83/23/17/981832317.db2.gz KSGAWFXJEUFADH-ARJAWSKDSA-N 0 0 246.266 2.457 20 5 BEBDRN Cc1ccnnc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199818822 983015931 /nfs/dbraw/zinc/01/59/31/983015931.db2.gz FKBYFIPGNWCLPB-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1cc(Nc2cc(O)cc([N+](=O)[O-])c2)nn1C ZINC001199802446 983022266 /nfs/dbraw/zinc/02/22/66/983022266.db2.gz PHKABLJMMFNKBZ-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN CCn1nccc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199800677 983022324 /nfs/dbraw/zinc/02/23/24/983022324.db2.gz DJHYOFRLTJUYSG-UHFFFAOYSA-N 0 0 248.242 2.260 20 5 BEBDRN Cc1noc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC001354203779 983193223 /nfs/dbraw/zinc/19/32/23/983193223.db2.gz HRYHENPSDYUJDD-ZETCQYMHSA-N 0 0 248.242 2.459 20 5 BEBDRN COc1ccc(Nc2nn(C)cc2[N+](=O)[O-])cc1 ZINC001458060829 985255735 /nfs/dbraw/zinc/25/57/35/985255735.db2.gz ATYYSKFEWURYIK-UHFFFAOYSA-N 0 0 248.242 2.081 20 5 BEBDRN O=[N+]([O-])c1ncccc1N[C@H]1COC2(CCC2)C1 ZINC000688316273 985610342 /nfs/dbraw/zinc/61/03/42/985610342.db2.gz RVKPYUSKLLYLTG-SECBINFHSA-N 0 0 249.270 2.113 20 5 BEBDRN C/C=C(/C)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001468692110 986932169 /nfs/dbraw/zinc/93/21/69/986932169.db2.gz ORJIXBMLDHVKDY-CLTKARDFSA-N 0 0 235.243 2.082 20 5 BEBDRN C[C@H]1C[C@H]1c1nnc(-c2ccncc2[N+](=O)[O-])o1 ZINC001256715724 987273612 /nfs/dbraw/zinc/27/36/12/987273612.db2.gz APNSQTQDFNIZQZ-POYBYMJQSA-N 0 0 246.226 2.163 20 5 BEBDRN CCOC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000208292936 987405055 /nfs/dbraw/zinc/40/50/55/987405055.db2.gz AVQNRVRQAPYBGW-MNOVXSKESA-N 0 0 235.239 2.261 20 5 BEBDRN O=[N+]([O-])c1ccc2c(c1)CN(CC1CC1)C2 ZINC001116289741 987507072 /nfs/dbraw/zinc/50/70/72/987507072.db2.gz VEGKNGUHOUWPGD-UHFFFAOYSA-N 0 0 218.256 2.320 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC001117943358 987963070 /nfs/dbraw/zinc/96/30/70/987963070.db2.gz UFTMQHICJSIJDP-VWYCJHECSA-N 0 0 247.298 2.321 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N1CCC=C(C)C1 ZINC001322751911 988375740 /nfs/dbraw/zinc/37/57/40/988375740.db2.gz IUZBKIYOCQCZIY-UHFFFAOYSA-N 0 0 233.271 2.455 20 5 BEBDRN Cc1noc(COc2ccnc(C)c2)c1[N+](=O)[O-] ZINC001118596878 988472254 /nfs/dbraw/zinc/47/22/54/988472254.db2.gz SHBQGYVIBXQVKL-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN CON(C(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC001118738794 988537444 /nfs/dbraw/zinc/53/74/44/988537444.db2.gz CULHHMSAFRQSOD-UHFFFAOYSA-N 0 0 244.272 2.068 20 5 BEBDRN Cc1cncc([N+](=O)[O-])c1N[C@H]1CCC[C@H]1C ZINC001324297708 988782318 /nfs/dbraw/zinc/78/23/18/988782318.db2.gz OWQNJUCYICHPTR-SCZZXKLOSA-N 0 0 235.287 2.321 20 5 BEBDRN Cc1nc(NCCC2CCC2)ncc1[N+](=O)[O-] ZINC001119072199 988829375 /nfs/dbraw/zinc/82/93/75/988829375.db2.gz XBUNYPVIAIQQHC-UHFFFAOYSA-N 0 0 236.275 2.295 20 5 BEBDRN O=C(NC/C=C/C1CC1)c1ccccc1[N+](=O)[O-] ZINC001324601563 988887773 /nfs/dbraw/zinc/88/77/73/988887773.db2.gz QARYQHMNAZUFIB-ONEGZZNKSA-N 0 0 246.266 2.291 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)C1CC2(CCC2)C1 ZINC001517179486 989205037 /nfs/dbraw/zinc/20/50/37/989205037.db2.gz OKTWAPDHYCZXCM-SNVBAGLBSA-N 0 0 241.287 2.165 20 5 BEBDRN Cc1ncc([N+](=O)[O-])cc1Nc1cncc(O)c1 ZINC001249544535 989299145 /nfs/dbraw/zinc/29/91/45/989299145.db2.gz OJVBJOTUSIIQJG-UHFFFAOYSA-N 0 0 246.226 2.142 20 5 BEBDRN Cc1ncc(Nc2cc([N+](=O)[O-])cnc2C)cn1 ZINC001249544762 989303610 /nfs/dbraw/zinc/30/36/10/989303610.db2.gz SLYTYHZMIMPZRQ-UHFFFAOYSA-N 0 0 245.242 2.140 20 5 BEBDRN Cc1cc(C)cc([C@H]2CC[N@H+](CC[N+](=O)[O-])C2)c1 ZINC001119811452 989415681 /nfs/dbraw/zinc/41/56/81/989415681.db2.gz YNDFGQKBGHUHQQ-ZDUSSCGKSA-N 0 0 248.326 2.369 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)C[C@@H]1C=CCCC1 ZINC001520098945 989507448 /nfs/dbraw/zinc/50/74/48/989507448.db2.gz BFTNBTPLTYOHMT-MNOVXSKESA-N 0 0 241.287 2.331 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCC(F)F)c(F)c1 ZINC001120922709 989969879 /nfs/dbraw/zinc/96/98/79/989969879.db2.gz PWUANMPCWMONCH-UHFFFAOYSA-N 0 0 235.165 2.196 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NCCC(F)F ZINC001121008228 990000974 /nfs/dbraw/zinc/00/09/74/990000974.db2.gz JTQHUZFEEAQQKJ-UHFFFAOYSA-N 0 0 247.201 2.066 20 5 BEBDRN O=C(OCCC[N+](=O)[O-])C12CCC(CC1)CC2 ZINC001526316863 990128720 /nfs/dbraw/zinc/12/87/20/990128720.db2.gz QYUYHHOJMLCJOA-UHFFFAOYSA-N 0 0 241.287 2.167 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cc(C)oc1C ZINC001526648822 990163446 /nfs/dbraw/zinc/16/34/46/990163446.db2.gz IVPUUMMGVHTFTF-VIFPVBQESA-N 0 0 241.243 2.109 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CC[C@H](C)C1 ZINC001526649674 990169222 /nfs/dbraw/zinc/16/92/22/990169222.db2.gz RQWPJDWUNHMMDO-IVZWLZJFSA-N 0 0 229.276 2.021 20 5 BEBDRN Cc1nocc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC001527078071 990208844 /nfs/dbraw/zinc/20/88/44/990208844.db2.gz QLQRICQQQFSCRJ-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN C[C@@H](COC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)[N+](=O)[O-] ZINC001122950440 990468042 /nfs/dbraw/zinc/46/80/42/990468042.db2.gz JRDXCLJQFKKCEV-MMWGEVLESA-N 0 0 241.287 2.021 20 5 BEBDRN CC[C@@H](C[N+](=O)[O-])OC(=O)c1cc(C)cs1 ZINC001123355072 990557371 /nfs/dbraw/zinc/55/73/71/990557371.db2.gz KZCONWYGZUZZPP-QMMMGPOBSA-N 0 0 243.284 2.269 20 5 BEBDRN CCCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000083348439 991118279 /nfs/dbraw/zinc/11/82/79/991118279.db2.gz BCWJEQKIOKVOKD-UHFFFAOYSA-N 0 0 215.640 2.465 20 5 BEBDRN Cc1c(CN2CC(F)(F)C2)cccc1[N+](=O)[O-] ZINC001308989268 991256787 /nfs/dbraw/zinc/25/67/87/991256787.db2.gz ZHGOPVJDZFUDET-UHFFFAOYSA-N 0 0 242.225 2.354 20 5 BEBDRN C=C=CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001562661940 991744564 /nfs/dbraw/zinc/74/45/64/991744564.db2.gz SPALTVSETIETMA-UHFFFAOYSA-N 0 0 247.254 2.366 20 5 BEBDRN C/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC001570670761 992494786 /nfs/dbraw/zinc/49/47/86/992494786.db2.gz WVJXBOUZIFEPIY-ONEGZZNKSA-N 0 0 235.243 2.151 20 5 BEBDRN CC[C@H](C[N+](=O)[O-])OC(=O)c1sccc1C ZINC001263622822 993430425 /nfs/dbraw/zinc/43/04/25/993430425.db2.gz ADQILXUQMYREMO-MRVPVSSYSA-N 0 0 243.284 2.269 20 5 BEBDRN O=[N+]([O-])c1cnccc1N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001336859506 995111741 /nfs/dbraw/zinc/11/17/41/995111741.db2.gz RBUNORMESJBDTI-WCABBAIRSA-N 0 0 233.271 2.012 20 5 BEBDRN CC(C)CCSc1nn(C)cc1[N+](=O)[O-] ZINC001306979331 995280913 /nfs/dbraw/zinc/28/09/13/995280913.db2.gz OOGMKLKSIUQSJR-UHFFFAOYSA-N 0 0 229.305 2.467 20 5 BEBDRN CC(C)=CCSc1nn(C)cc1[N+](=O)[O-] ZINC001307111323 995286845 /nfs/dbraw/zinc/28/68/45/995286845.db2.gz JFYQDBFDKRGHQF-UHFFFAOYSA-N 0 0 227.289 2.387 20 5 BEBDRN O=[N+]([O-])c1ccsc1NCc1cnccn1 ZINC001307230962 995305704 /nfs/dbraw/zinc/30/57/04/995305704.db2.gz BTVCJTMOYXTIJW-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN CC[C@@H](COc1ccsc1[N+](=O)[O-])OC ZINC001307345788 995332017 /nfs/dbraw/zinc/33/20/17/995332017.db2.gz PDMZXUPHDONOHB-ZETCQYMHSA-N 0 0 231.273 2.460 20 5 BEBDRN CC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC000037976316 1170998881 /nfs/dbraw/zinc/99/88/81/1170998881.db2.gz KFBMNIARUPPSHU-SECBINFHSA-N 0 0 223.228 2.260 20 5 BEBDRN CC(=O)[C@@H](C)Oc1cc(C)ccc1[N+](=O)[O-] ZINC000037976324 1170999368 /nfs/dbraw/zinc/99/93/68/1170999368.db2.gz LHIXHLJTTDLCBL-SECBINFHSA-N 0 0 223.228 2.260 20 5 BEBDRN CC(=O)[C@H](C)Oc1cccc([N+](=O)[O-])c1C ZINC000038081640 1171016004 /nfs/dbraw/zinc/01/60/04/1171016004.db2.gz UELZKGZFRKMDLH-VIFPVBQESA-N 0 0 223.228 2.260 20 5 BEBDRN CC(=O)[C@H](C)Oc1cccc(C)c1[N+](=O)[O-] ZINC000038081975 1171017626 /nfs/dbraw/zinc/01/76/26/1171017626.db2.gz PXADYOHKGMADJG-VIFPVBQESA-N 0 0 223.228 2.260 20 5 BEBDRN CC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])c(F)c1 ZINC000043473299 1171293014 /nfs/dbraw/zinc/29/30/14/1171293014.db2.gz YFDRYNHXZBAXOL-SSDOTTSWSA-N 0 0 227.191 2.090 20 5 BEBDRN O=C(c1ccc([N+](=O)[O-])cc1)N1CC2(CCC2)C1 ZINC001631396589 1171451840 /nfs/dbraw/zinc/45/18/40/1171451840.db2.gz QTNBKJGEFYUOBH-UHFFFAOYSA-N 0 0 246.266 2.221 20 5 BEBDRN CCC(C)(CC)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330730856 168309785 /nfs/dbraw/zinc/30/97/85/168309785.db2.gz IMZWURJBFKAEPO-UHFFFAOYSA-N 0 0 239.275 2.231 20 5 BEBDRN CO[C@@H](C)CNc1cccc(F)c1[N+](=O)[O-] ZINC000224348070 398137036 /nfs/dbraw/zinc/13/70/36/398137036.db2.gz DJVZRNGAUHFFOW-ZETCQYMHSA-N 0 0 228.223 2.181 20 5 BEBDRN CC/C=C\CCn1cc(C)c([N+](=O)[O-])n1 ZINC000337938207 398146836 /nfs/dbraw/zinc/14/68/36/398146836.db2.gz YXPNRMBXEMMHSL-PLNGDYQASA-N 0 0 209.249 2.456 20 5 BEBDRN Cc1cc(Cl)c(C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000294961317 178059827 /nfs/dbraw/zinc/05/98/27/178059827.db2.gz FYISATIXKOASEB-UHFFFAOYSA-N 0 0 242.662 2.258 20 5 BEBDRN Cc1cc(N2CCCO2)ccc1[N+](=O)[O-] ZINC000273440479 178115405 /nfs/dbraw/zinc/11/54/05/178115405.db2.gz FZEIDONRDZYLST-UHFFFAOYSA-N 0 0 208.217 2.045 20 5 BEBDRN Cc1cc(N2CC(C)C2)ccc1[N+](=O)[O-] ZINC000336365383 178113513 /nfs/dbraw/zinc/11/35/13/178113513.db2.gz VSDBLILQXNQIRT-UHFFFAOYSA-N 0 0 206.245 2.359 20 5 BEBDRN Cc1cc(N2CC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000266841220 178117149 /nfs/dbraw/zinc/11/71/49/178117149.db2.gz MIJYCFPKSXIEJY-MRVPVSSYSA-N 0 0 221.260 2.144 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CCC2)c1 ZINC000266036389 398209007 /nfs/dbraw/zinc/20/90/07/398209007.db2.gz NMDMJHVZCBANSJ-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN Cc1cc(NC(C)(C)CO)c(F)cc1[N+](=O)[O-] ZINC000291049654 178152399 /nfs/dbraw/zinc/15/23/99/178152399.db2.gz ZIDKSJUXRWXYNV-UHFFFAOYSA-N 0 0 242.250 2.225 20 5 BEBDRN Cc1cc(NC2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000163153265 178153119 /nfs/dbraw/zinc/15/31/19/178153119.db2.gz ZFPJDDKLZJPXJJ-UHFFFAOYSA-N 0 0 236.271 2.230 20 5 BEBDRN Cc1cc(NC2CCC2)ncc1[N+](=O)[O-] ZINC000086002390 178155167 /nfs/dbraw/zinc/15/51/67/178155167.db2.gz SOACZHWOBHFYHZ-UHFFFAOYSA-N 0 0 207.233 2.263 20 5 BEBDRN Cc1cc(NCCF)c(F)cc1[N+](=O)[O-] ZINC000292798560 178159180 /nfs/dbraw/zinc/15/91/80/178159180.db2.gz YJVBHYHPFGGHMZ-UHFFFAOYSA-N 0 0 216.187 2.424 20 5 BEBDRN Cc1cnc(S[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000576328208 365566414 /nfs/dbraw/zinc/56/64/14/365566414.db2.gz BVBVJFKTLWCYIH-QMMMGPOBSA-N 0 0 240.284 2.179 20 5 BEBDRN C[C@@H]1[C@@H](C)[C@H](C)CN1c1ccc([N+](=O)[O-])cn1 ZINC000576331615 365567739 /nfs/dbraw/zinc/56/77/39/365567739.db2.gz MHGXQEDJTSGTFW-KXUCPTDWSA-N 0 0 235.287 2.471 20 5 BEBDRN Cc1cc(N[C@@H](C)CF)ncc1[N+](=O)[O-] ZINC000288214247 178178414 /nfs/dbraw/zinc/17/84/14/178178414.db2.gz LVBSLZZOPXWOPA-ZETCQYMHSA-N 0 0 213.212 2.068 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C1CC1 ZINC000295607645 178271342 /nfs/dbraw/zinc/27/13/42/178271342.db2.gz UACNNUAJRULZSX-SECBINFHSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC12CC2 ZINC000335143010 178271946 /nfs/dbraw/zinc/27/19/46/178271946.db2.gz SGKANGSYVAWFPC-NSHDSACASA-N 0 0 246.266 2.186 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCO[C@@H]1C ZINC000147568274 178273210 /nfs/dbraw/zinc/27/32/10/178273210.db2.gz RWYAFJQIVQBNIC-SKDRFNHKSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCC1(CO)CC1 ZINC000118907687 178273270 /nfs/dbraw/zinc/27/32/70/178273270.db2.gz MNUOSQQANRLIKP-UHFFFAOYSA-N 0 0 236.271 2.088 20 5 BEBDRN Cc1nonc1COc1ccc([N+](=O)[O-])cc1C ZINC000270059324 178273293 /nfs/dbraw/zinc/27/32/93/178273293.db2.gz HFBDCDQHRSIZDE-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN C[C@@H](CO)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000230147396 136228019 /nfs/dbraw/zinc/22/80/19/136228019.db2.gz OJLABSZNUVTQMK-SNVBAGLBSA-N 0 0 238.287 2.415 20 5 BEBDRN CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC1CC1 ZINC000298354809 398270855 /nfs/dbraw/zinc/27/08/55/398270855.db2.gz PZZGLPFZCXQCTP-UHFFFAOYSA-N 0 0 248.282 2.353 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H]1CO[C@@H](C)C1 ZINC000402101061 349605297 /nfs/dbraw/zinc/60/52/97/349605297.db2.gz OZWLNDGLIRAQMV-UWVGGRQHSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1n[nH]cc1CNc1ccsc1[N+](=O)[O-] ZINC000309619394 342753477 /nfs/dbraw/zinc/75/34/77/342753477.db2.gz CTKPUABADZXREE-UHFFFAOYSA-N 0 0 238.272 2.300 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCSCC2)s1 ZINC000064029623 342773338 /nfs/dbraw/zinc/77/33/38/342773338.db2.gz WRIFFNIBCKCDPR-UHFFFAOYSA-N 0 0 230.314 2.210 20 5 BEBDRN Cc1nc(S[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000583970144 342785065 /nfs/dbraw/zinc/78/50/65/342785065.db2.gz LWGRSRPRGWIMKL-MRVPVSSYSA-N 0 0 240.284 2.179 20 5 BEBDRN Cc1nc(S[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000583970145 342785145 /nfs/dbraw/zinc/78/51/45/342785145.db2.gz LWGRSRPRGWIMKL-QMMMGPOBSA-N 0 0 240.284 2.179 20 5 BEBDRN Cc1nc(NC(=O)[C@@H]2CC23CC3)ccc1[N+](=O)[O-] ZINC000421486055 192344799 /nfs/dbraw/zinc/34/47/99/192344799.db2.gz PKSRIJQGKLGBGE-QMMMGPOBSA-N 0 0 247.254 2.037 20 5 BEBDRN CCC(CC)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301849079 168393318 /nfs/dbraw/zinc/39/33/18/168393318.db2.gz VVCISEJDWFTNAS-UHFFFAOYSA-N 0 0 249.274 2.238 20 5 BEBDRN CCC(CC)Sc1ncc([N+](=O)[O-])c(N)n1 ZINC000263936883 168396506 /nfs/dbraw/zinc/39/65/06/168396506.db2.gz CWCWHYIYBRCVAZ-UHFFFAOYSA-N 0 0 242.304 2.248 20 5 BEBDRN CCCCOCCNc1cccnc1[N+](=O)[O-] ZINC000134430544 342853157 /nfs/dbraw/zinc/85/31/57/342853157.db2.gz MWGKSJBDBHCNDC-UHFFFAOYSA-N 0 0 239.275 2.218 20 5 BEBDRN CC(C)(O)CCOc1ccccc1[N+](=O)[O-] ZINC000081676379 398311317 /nfs/dbraw/zinc/31/13/17/398311317.db2.gz MWFVPBGUEXYBII-UHFFFAOYSA-N 0 0 225.244 2.135 20 5 BEBDRN CC[C@H](O)CSc1cccc([N+](=O)[O-])c1 ZINC000313460591 398310443 /nfs/dbraw/zinc/31/04/43/398310443.db2.gz MVDDNJLSLHAJAH-VIFPVBQESA-N 0 0 227.285 2.458 20 5 BEBDRN CO[C@@H](Cn1cnc([N+](=O)[O-])c1)c1ccccc1 ZINC000282616764 398317756 /nfs/dbraw/zinc/31/77/56/398317756.db2.gz IBFFRTPHSUEHDB-NSHDSACASA-N 0 0 247.254 2.179 20 5 BEBDRN COC(=O)CSCc1csc([N+](=O)[O-])c1 ZINC000603938555 398320979 /nfs/dbraw/zinc/32/09/79/398320979.db2.gz WNGLHWPZTFIXJF-UHFFFAOYSA-N 0 0 247.297 2.063 20 5 BEBDRN Cc1ccnc(NC[C@@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000123850063 398312706 /nfs/dbraw/zinc/31/27/06/398312706.db2.gz YVTFPSIWKLLRRT-IUCAKERBSA-N 0 0 221.260 2.366 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2ccon2)c(F)c1 ZINC000093297704 398314059 /nfs/dbraw/zinc/31/40/59/398314059.db2.gz HCXUWFHIWIIGKJ-UHFFFAOYSA-N 0 0 237.190 2.334 20 5 BEBDRN Cc1cc(N[C@H](C)C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000228133960 398322768 /nfs/dbraw/zinc/32/27/68/398322768.db2.gz TYNLLDHQLVRBHE-ZJUUUORDSA-N 0 0 238.287 2.475 20 5 BEBDRN Cc1noc(/C=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000356985743 398328260 /nfs/dbraw/zinc/32/82/60/398328260.db2.gz WWJBLFPZVJVIPN-WAYWQWQTSA-N 0 0 231.211 2.457 20 5 BEBDRN Cc1nc(N2CC=CCC2)ccc1[N+](=O)[O-] ZINC000611509829 398334140 /nfs/dbraw/zinc/33/41/40/398334140.db2.gz AAEUJLCPNGVSQZ-UHFFFAOYSA-N 0 0 219.244 2.065 20 5 BEBDRN Cc1nn(Cc2cc(C)ccn2)c(C)c1[N+](=O)[O-] ZINC000616198397 346901983 /nfs/dbraw/zinc/90/19/83/346901983.db2.gz RXTKVLPLTYVJDL-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N(C)Cc1cc[nH]n1 ZINC000351831073 136256462 /nfs/dbraw/zinc/25/64/62/136256462.db2.gz VILURCULTFKHIE-UHFFFAOYSA-N 0 0 246.270 2.263 20 5 BEBDRN CC1(C)CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000602751315 349730378 /nfs/dbraw/zinc/73/03/78/349730378.db2.gz GNENLIIVWADQNF-UHFFFAOYSA-N 0 0 220.272 2.437 20 5 BEBDRN CC(=O)CNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000602841909 349780307 /nfs/dbraw/zinc/78/03/07/349780307.db2.gz UGEQHHAPYJDFKZ-UHFFFAOYSA-N 0 0 236.271 2.009 20 5 BEBDRN Cc1c(NC(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000043348249 343053225 /nfs/dbraw/zinc/05/32/25/343053225.db2.gz ONLUDOUVCQFZHM-UHFFFAOYSA-N 0 0 235.243 2.187 20 5 BEBDRN C[C@H]1C[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000047098275 343378093 /nfs/dbraw/zinc/37/80/93/343378093.db2.gz CHDNGJHLRJGZRV-IUCAKERBSA-N 0 0 249.270 2.372 20 5 BEBDRN Cc1nccnc1NCc1cccc([N+](=O)[O-])c1 ZINC000214499951 343348171 /nfs/dbraw/zinc/34/81/71/343348171.db2.gz UGZQGTGVHXBART-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000335698757 136327899 /nfs/dbraw/zinc/32/78/99/136327899.db2.gz HDARLFZQPVGDED-NXEZZACHSA-N 0 0 248.282 2.323 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC2=CCCCC2)s1 ZINC000379866036 343643464 /nfs/dbraw/zinc/64/34/64/343643464.db2.gz MTSVVRFILOSADD-UHFFFAOYSA-N 0 0 239.300 2.386 20 5 BEBDRN Cc1ccc(Cn2ncc([N+](=O)[O-])c2N)cc1C ZINC000043669998 343696950 /nfs/dbraw/zinc/69/69/50/343696950.db2.gz GYMGSWBHIICQFX-UHFFFAOYSA-N 0 0 246.270 2.039 20 5 BEBDRN CC[C@H](O)CCNc1ccc([N+](=O)[O-])s1 ZINC000309088919 346962925 /nfs/dbraw/zinc/96/29/25/346962925.db2.gz BKBOJGPBFNLWHV-ZETCQYMHSA-N 0 0 230.289 2.229 20 5 BEBDRN Cc1nc([C@H](C)Oc2ccc([N+](=O)[O-])cc2)no1 ZINC000418786039 192067253 /nfs/dbraw/zinc/06/72/53/192067253.db2.gz HVVWANIJNNUSGO-ZETCQYMHSA-N 0 0 249.226 2.426 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000335102124 343928119 /nfs/dbraw/zinc/92/81/19/343928119.db2.gz YBIJNJOQUGNFOE-NKWVEPMBSA-N 0 0 240.284 2.137 20 5 BEBDRN C[C@@H]1[C@@H](C)CCN1c1cccnc1[N+](=O)[O-] ZINC000610588345 343973801 /nfs/dbraw/zinc/97/38/01/343973801.db2.gz BLRXFDFAJFVXNN-DTWKUNHWSA-N 0 0 221.260 2.225 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N[C@H](C)c1ncc[nH]1 ZINC000139852045 343956335 /nfs/dbraw/zinc/95/63/35/343956335.db2.gz VZCPZPGPNJNTPU-MRVPVSSYSA-N 0 0 247.258 2.194 20 5 BEBDRN C[C@]1(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC=CCC1 ZINC000335146050 343959985 /nfs/dbraw/zinc/95/99/85/343959985.db2.gz JVSDMUBDLYLVQJ-LBPRGKRZSA-N 0 0 249.270 2.152 20 5 BEBDRN CN(C[C@H]1CCCO1)c1ccsc1[N+](=O)[O-] ZINC000610515314 343966930 /nfs/dbraw/zinc/96/69/30/343966930.db2.gz RJQWBTHJTLKINT-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN CN(C[C@H]1CCCO1)c1ccc([N+](=O)[O-])s1 ZINC000610515302 343966972 /nfs/dbraw/zinc/96/69/72/343966972.db2.gz GZHZUJQCQFJJIT-MRVPVSSYSA-N 0 0 242.300 2.272 20 5 BEBDRN C[C@H]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000335911494 344084244 /nfs/dbraw/zinc/08/42/44/344084244.db2.gz ROHLOBDHWVJASU-JTQLQIEISA-N 0 0 248.282 2.006 20 5 BEBDRN Cc1cc(NCC(C)(C)CO)ccc1[N+](=O)[O-] ZINC000165818427 344147944 /nfs/dbraw/zinc/14/79/44/344147944.db2.gz BFJMVPVJVICMGX-UHFFFAOYSA-N 0 0 238.287 2.334 20 5 BEBDRN C[C@@H]1[C@H](C)OCCN1c1ccc([N+](=O)[O-])s1 ZINC000610808195 344155210 /nfs/dbraw/zinc/15/52/10/344155210.db2.gz WGLYZIUQGCFZIF-SFYZADRCSA-N 0 0 242.300 2.270 20 5 BEBDRN Cc1cnc(N2CC(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000611078740 344245201 /nfs/dbraw/zinc/24/52/01/344245201.db2.gz KCBKTHKAYAHWMD-UHFFFAOYSA-N 0 0 235.287 2.390 20 5 BEBDRN COc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1C ZINC000600513795 344252780 /nfs/dbraw/zinc/25/27/80/344252780.db2.gz BTAXHWINEABIGK-UHFFFAOYSA-N 0 0 247.254 2.157 20 5 BEBDRN CCC[C@H](C)CCCn1cnc([N+](=O)[O-])n1 ZINC000600519357 344254275 /nfs/dbraw/zinc/25/42/75/344254275.db2.gz BVERDXKWTLDYTK-VIFPVBQESA-N 0 0 226.280 2.403 20 5 BEBDRN C[C@H]1C[C@@H]1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000600536665 344260201 /nfs/dbraw/zinc/26/02/01/344260201.db2.gz UYFHULDRTXBQIA-IONNQARKSA-N 0 0 221.260 2.325 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C[C@H]1C ZINC000611227957 344324914 /nfs/dbraw/zinc/32/49/14/344324914.db2.gz IKJSYNWRXVIHEB-NXEZZACHSA-N 0 0 235.287 2.472 20 5 BEBDRN C[C@H](CCO)Sc1ccccc1[N+](=O)[O-] ZINC000085143453 344503757 /nfs/dbraw/zinc/50/37/57/344503757.db2.gz QOWVQIOWRWBMAJ-MRVPVSSYSA-N 0 0 227.285 2.458 20 5 BEBDRN CC[C@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601127707 344453827 /nfs/dbraw/zinc/45/38/27/344453827.db2.gz NWWMXJBDYNCDBY-QMMMGPOBSA-N 0 0 239.250 2.365 20 5 BEBDRN Cc1cc(N2CCCCCO2)ncc1[N+](=O)[O-] ZINC000408291431 344462957 /nfs/dbraw/zinc/46/29/57/344462957.db2.gz OCYZMPYMISRVTH-UHFFFAOYSA-N 0 0 237.259 2.220 20 5 BEBDRN CCOCCN(C)c1ccsc1[N+](=O)[O-] ZINC000611307109 344470112 /nfs/dbraw/zinc/47/01/12/344470112.db2.gz UIMMEKLKKVXOJA-UHFFFAOYSA-N 0 0 230.289 2.129 20 5 BEBDRN CNc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000084918423 344485227 /nfs/dbraw/zinc/48/52/27/344485227.db2.gz OFOOCXFDNQFDHV-UHFFFAOYSA-N 0 0 216.624 2.299 20 5 BEBDRN C[C@H](CO)CSc1cccc([N+](=O)[O-])c1 ZINC000085137796 344501805 /nfs/dbraw/zinc/50/18/05/344501805.db2.gz WRHKPKRMYJOWQT-MRVPVSSYSA-N 0 0 227.285 2.315 20 5 BEBDRN CN(Cc1cc[nH]n1)c1sccc1[N+](=O)[O-] ZINC000611412131 344539400 /nfs/dbraw/zinc/53/94/00/344539400.db2.gz SXKJAKAOSUEOIV-UHFFFAOYSA-N 0 0 238.272 2.016 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1S[C@H]1CCOC1 ZINC000601155351 344564534 /nfs/dbraw/zinc/56/45/34/344564534.db2.gz HVHSRWWAIHAGKK-ZETCQYMHSA-N 0 0 244.247 2.010 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)F ZINC000601206201 344675131 /nfs/dbraw/zinc/67/51/31/344675131.db2.gz PWYVPDHLINIHFA-UHFFFAOYSA-N 0 0 227.239 2.458 20 5 BEBDRN C[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@@H]1F ZINC000611494457 344746314 /nfs/dbraw/zinc/74/63/14/344746314.db2.gz REUANBBZZZCHBR-SCZZXKLOSA-N 0 0 239.250 2.174 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1CN1CC=CCC1 ZINC000611517306 344748454 /nfs/dbraw/zinc/74/84/54/344748454.db2.gz PMMGDHXWWXAUPI-UHFFFAOYSA-N 0 0 236.246 2.496 20 5 BEBDRN CCC(C)(C)CCNc1ncc([N+](=O)[O-])cn1 ZINC000601217434 344703366 /nfs/dbraw/zinc/70/33/66/344703366.db2.gz FSOYZCPFFIMGHW-UHFFFAOYSA-N 0 0 238.291 2.045 20 5 BEBDRN CC(C)(C)SCCn1cc([N+](=O)[O-])cn1 ZINC000074783156 344759360 /nfs/dbraw/zinc/75/93/60/344759360.db2.gz AGNDXCHYEJYIMK-UHFFFAOYSA-N 0 0 229.305 2.323 20 5 BEBDRN CO[C@H](CNc1ccc([N+](=O)[O-])cn1)C(C)C ZINC000075062527 344764102 /nfs/dbraw/zinc/76/41/02/344764102.db2.gz BWUXRHRSVLXILT-SNVBAGLBSA-N 0 0 239.275 2.073 20 5 BEBDRN COCCSc1cc(C)c([N+](=O)[O-])cn1 ZINC000074769056 344752877 /nfs/dbraw/zinc/75/28/77/344752877.db2.gz ACYXFWMNRAPRGI-UHFFFAOYSA-N 0 0 228.273 2.037 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@H](O)c1ccco1 ZINC000075668625 344783942 /nfs/dbraw/zinc/78/39/42/344783942.db2.gz ZXCWWJGLCMHZJO-NSHDSACASA-N 0 0 248.238 2.333 20 5 BEBDRN Cc1cccc(Nc2ncc([N+](=O)[O-])c(N)n2)c1 ZINC000076266879 344803008 /nfs/dbraw/zinc/80/30/08/344803008.db2.gz QZMUEMOCSQXTPS-UHFFFAOYSA-N 0 0 245.242 2.019 20 5 BEBDRN Cc1ccccc1Oc1ncc([N+](=O)[O-])c(N)n1 ZINC000076266905 344803135 /nfs/dbraw/zinc/80/31/35/344803135.db2.gz SUOAUAHCAVPMRS-UHFFFAOYSA-N 0 0 246.226 2.068 20 5 BEBDRN C[C@@H]1[C@@H](C)CCN1c1ncc([N+](=O)[O-])cc1F ZINC000408464533 344823145 /nfs/dbraw/zinc/82/31/45/344823145.db2.gz FEPHESWSBOICIW-JGVFFNPUSA-N 0 0 239.250 2.364 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OC[C@@H]1CCOC1 ZINC000077910383 344831372 /nfs/dbraw/zinc/83/13/72/344831372.db2.gz UAKHTTPOSGEXJG-SNVBAGLBSA-N 0 0 237.255 2.319 20 5 BEBDRN Cc1ccc(NCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000041120013 178759393 /nfs/dbraw/zinc/75/93/93/178759393.db2.gz YNSAOXGABSEYQQ-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN C[C@@H]1CCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC000612440049 344897558 /nfs/dbraw/zinc/89/75/58/344897558.db2.gz NHUDMJVESXJWPM-MRVPVSSYSA-N 0 0 244.254 2.137 20 5 BEBDRN C[C@H](C1CC1)N(C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000078733823 344899751 /nfs/dbraw/zinc/89/97/51/344899751.db2.gz RKSJKZLXAFHJBK-SECBINFHSA-N 0 0 248.282 2.465 20 5 BEBDRN Cc1ccc(N[C@@H](C)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000080647031 178770111 /nfs/dbraw/zinc/77/01/11/178770111.db2.gz YUTWYATUHKDGSJ-UWVGGRQHSA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1CNCc1cocn1 ZINC000612580287 344907029 /nfs/dbraw/zinc/90/70/29/344907029.db2.gz JXOZBMPYYKBOSF-UHFFFAOYSA-N 0 0 247.254 2.181 20 5 BEBDRN CC[C@@]1(C)CCN(c2ncc([N+](=O)[O-])cn2)C1 ZINC000612788761 344923680 /nfs/dbraw/zinc/92/36/80/344923680.db2.gz JJOUDCKTZRELEQ-NSHDSACASA-N 0 0 236.275 2.011 20 5 BEBDRN O=[N+]([O-])c1c[nH]c(-c2nc(C3CCC3)no2)c1 ZINC000612897183 344931390 /nfs/dbraw/zinc/93/13/90/344931390.db2.gz GXKAGGBAPVSSRV-UHFFFAOYSA-N 0 0 234.215 2.240 20 5 BEBDRN O=C(/C=C/C1CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000079657454 345013893 /nfs/dbraw/zinc/01/38/93/345013893.db2.gz OJVTUSHZBKQTEQ-VMPITWQZSA-N 0 0 246.266 2.177 20 5 BEBDRN Cc1ccc(OCCC(C)(C)O)cc1[N+](=O)[O-] ZINC000134069496 178810368 /nfs/dbraw/zinc/81/03/68/178810368.db2.gz HKJQGCXMMFDIAF-UHFFFAOYSA-N 0 0 239.271 2.443 20 5 BEBDRN Cc1cnc(N2OC3CCC2CC3)c([N+](=O)[O-])c1 ZINC000601273598 345236796 /nfs/dbraw/zinc/23/67/96/345236796.db2.gz WUCCWDUWWYNLLY-UHFFFAOYSA-N 0 0 249.270 2.361 20 5 BEBDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C1CCC1 ZINC000130035451 345266340 /nfs/dbraw/zinc/26/63/40/345266340.db2.gz ULNUPYIQHIDPDN-ZETCQYMHSA-N 0 0 238.243 2.106 20 5 BEBDRN Cc1cc(N[C@@H]2CC23CC3)ncc1[N+](=O)[O-] ZINC000425271207 192087597 /nfs/dbraw/zinc/08/75/97/192087597.db2.gz HRZKBRSMFKTWNV-SECBINFHSA-N 0 0 219.244 2.263 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[C@H](C)O)c1 ZINC000158866227 345385198 /nfs/dbraw/zinc/38/51/98/345385198.db2.gz CKKJUSFZIGTKEK-ZJUUUORDSA-N 0 0 238.287 2.475 20 5 BEBDRN CCOc1cc(Nc2cn[nH]c2)ccc1[N+](=O)[O-] ZINC000092606105 345640512 /nfs/dbraw/zinc/64/05/12/345640512.db2.gz AXFIKWGHGTXBHM-UHFFFAOYSA-N 0 0 248.242 2.460 20 5 BEBDRN O=[N+]([O-])c1cccc(Oc2cccnn2)c1 ZINC000149764820 345716974 /nfs/dbraw/zinc/71/69/74/345716974.db2.gz DCLXGYGUHNOESP-UHFFFAOYSA-N 0 0 217.184 2.177 20 5 BEBDRN O=[N+]([O-])c1ccccc1Oc1cccnn1 ZINC000150054204 345718010 /nfs/dbraw/zinc/71/80/10/345718010.db2.gz KPYMLZHMVAKDQJ-UHFFFAOYSA-N 0 0 217.184 2.177 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)CC(C)(C)O)c1 ZINC000094663496 178927673 /nfs/dbraw/zinc/92/76/73/178927673.db2.gz FORWDWISVPJYGT-UHFFFAOYSA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC[C@H](C)O)c1 ZINC000087150742 178929029 /nfs/dbraw/zinc/92/90/29/178929029.db2.gz KHXKPCIGRGOXDC-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC(C)(C)CO)c1 ZINC000084726249 178929273 /nfs/dbraw/zinc/92/92/73/178929273.db2.gz WXQICJXCCLSGTR-UHFFFAOYSA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NC[C@H](C)CCO)c1 ZINC000094659794 178929324 /nfs/dbraw/zinc/92/93/24/178929324.db2.gz LFQRGXRHKZJVBO-SNVBAGLBSA-N 0 0 238.287 2.334 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCc2nccn2C)c1 ZINC000123827921 178930867 /nfs/dbraw/zinc/93/08/67/178930867.db2.gz VLAIOHGFXBGKLM-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC1 ZINC000043149849 178931675 /nfs/dbraw/zinc/93/16/75/178931675.db2.gz WXMYNAGVSBGJJG-UHFFFAOYSA-N 0 0 235.243 2.187 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H]1C ZINC000171049002 178931757 /nfs/dbraw/zinc/93/17/57/178931757.db2.gz JPUPTUNDKDNAEV-LDYMZIIASA-N 0 0 234.255 2.041 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NCCC(C)(C)O ZINC000336672671 178931796 /nfs/dbraw/zinc/93/17/96/178931796.db2.gz BJTWDBGZXRYOQI-UHFFFAOYSA-N 0 0 238.287 2.476 20 5 BEBDRN C[C@H](C(=O)N[C@@H]1C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000585752957 345985131 /nfs/dbraw/zinc/98/51/31/345985131.db2.gz YZLOAFNSHYENCZ-VDDIYKPWSA-N 0 0 248.282 2.223 20 5 BEBDRN O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]2C[C@H]21 ZINC000586892285 346166543 /nfs/dbraw/zinc/16/65/43/346166543.db2.gz ULGQTANVHBBWRM-JOYOIKCWSA-N 0 0 246.266 2.219 20 5 BEBDRN C[C@@H](O)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000136366980 346201150 /nfs/dbraw/zinc/20/11/50/346201150.db2.gz LCRDHQMWRDZOFT-HTQZYQBOSA-N 0 0 242.250 2.305 20 5 BEBDRN C[C@H](O)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000136367017 346201189 /nfs/dbraw/zinc/20/11/89/346201189.db2.gz LCRDHQMWRDZOFT-YUMQZZPRSA-N 0 0 242.250 2.305 20 5 BEBDRN C[C@@H](O)C[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000167406808 346244972 /nfs/dbraw/zinc/24/49/72/346244972.db2.gz LLEURDHEHSZQKC-JGVFFNPUSA-N 0 0 242.250 2.305 20 5 BEBDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000615570615 346252745 /nfs/dbraw/zinc/25/27/45/346252745.db2.gz ZSWIXJMTSFFQAD-FXPVBKGRSA-N 0 0 248.282 2.428 20 5 BEBDRN Cc1cccc(C(=O)NC[C@@H]2C[C@@H]2C)c1[N+](=O)[O-] ZINC000032388261 179018118 /nfs/dbraw/zinc/01/81/18/179018118.db2.gz SUTRHMJZJFLGGA-UWVGGRQHSA-N 0 0 248.282 2.289 20 5 BEBDRN O=[N+]([O-])c1cc(F)cnc1N1CCC=C(F)C1 ZINC000601139577 346342363 /nfs/dbraw/zinc/34/23/63/346342363.db2.gz GENDRBOIUPLBNS-UHFFFAOYSA-N 0 0 241.197 2.192 20 5 BEBDRN C[C@@H](SCCO)c1cccc([N+](=O)[O-])c1 ZINC000603454224 349967186 /nfs/dbraw/zinc/96/71/86/349967186.db2.gz ZTTAHXGLACMSDW-MRVPVSSYSA-N 0 0 227.285 2.381 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1N1CC(C(F)F)C1 ZINC000588000812 346620886 /nfs/dbraw/zinc/62/08/86/346620886.db2.gz MRKANEUESJDOQV-UHFFFAOYSA-N 0 0 246.188 2.435 20 5 BEBDRN CN(CC1CC1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000589106964 346666854 /nfs/dbraw/zinc/66/68/54/346666854.db2.gz NXJUNQWCLOUECE-UHFFFAOYSA-N 0 0 241.678 2.489 20 5 BEBDRN Cc1cnc(N2CCC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC000588066525 346631224 /nfs/dbraw/zinc/63/12/24/346631224.db2.gz QXYULKYOXAIRKY-VHSXEESVSA-N 0 0 233.271 2.287 20 5 BEBDRN Cc1cnc(N2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000588066526 346631371 /nfs/dbraw/zinc/63/13/71/346631371.db2.gz QXYULKYOXAIRKY-ZJUUUORDSA-N 0 0 233.271 2.287 20 5 BEBDRN Cc1cc(N2CCC[C@H]3C[C@H]32)ncc1[N+](=O)[O-] ZINC000588066393 346631389 /nfs/dbraw/zinc/63/13/89/346631389.db2.gz NFIAPMWNNJEJIP-VHSXEESVSA-N 0 0 233.271 2.287 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]2C[C@H]21 ZINC000588066681 346631759 /nfs/dbraw/zinc/63/17/59/346631759.db2.gz VOOULJMJGANBDW-GXSJLCMTSA-N 0 0 233.271 2.287 20 5 BEBDRN Cc1cccc(N[C@@H]2CCO[C@@H]2C)c1[N+](=O)[O-] ZINC000218872492 179155075 /nfs/dbraw/zinc/15/50/75/179155075.db2.gz WMJOUMWPSCBRKY-NXEZZACHSA-N 0 0 236.271 2.493 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC1(C)C ZINC000299181308 179205953 /nfs/dbraw/zinc/20/59/53/179205953.db2.gz ZOHWQXUDDQDNDM-JTQLQIEISA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H](C)[C@H]1C ZINC000294217547 179206178 /nfs/dbraw/zinc/20/61/78/179206178.db2.gz RFUUFHAEBJSHPJ-VHSXEESVSA-N 0 0 248.282 2.384 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@@H](C)[C@H](C)CO ZINC000156654659 179206332 /nfs/dbraw/zinc/20/63/32/179206332.db2.gz PXMFPZKENMYETM-ZJUUUORDSA-N 0 0 238.287 2.332 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1OCC(C)(C)O ZINC000128655611 179206416 /nfs/dbraw/zinc/20/64/16/179206416.db2.gz IYFRDAHPCJIQMT-UHFFFAOYSA-N 0 0 225.244 2.053 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC1(C)C ZINC000299181309 179206495 /nfs/dbraw/zinc/20/64/95/179206495.db2.gz ZOHWQXUDDQDNDM-SNVBAGLBSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCC[C@H](C)O ZINC000096592924 179206540 /nfs/dbraw/zinc/20/65/40/179206540.db2.gz ZRAOQLHRSQXMQS-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCCn1ccnc1 ZINC000155098171 179206708 /nfs/dbraw/zinc/20/67/08/179206708.db2.gz JMXBVEQCRPVCLG-UHFFFAOYSA-N 0 0 246.270 2.212 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCC[N@@H+](C)C1CC1 ZINC000096482938 179206767 /nfs/dbraw/zinc/20/67/67/179206767.db2.gz AWTXUJPXACKPFO-UHFFFAOYSA-N 0 0 249.314 2.409 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@H]1CCCOC1 ZINC000113197563 179206998 /nfs/dbraw/zinc/20/69/98/179206998.db2.gz RAWVJZRBRVMHKX-JTQLQIEISA-N 0 0 236.271 2.494 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N[C@H](C)CCO ZINC000096867111 179207022 /nfs/dbraw/zinc/20/70/22/179207022.db2.gz LLKPZCRVBKCOQL-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN CCc1ncc(CNc2cccnc2[N+](=O)[O-])o1 ZINC000590725351 347495756 /nfs/dbraw/zinc/49/57/56/347495756.db2.gz HJSNUHHJVOVVAB-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CC(C)(CO)CCNc1ccc([N+](=O)[O-])s1 ZINC000590709491 347498728 /nfs/dbraw/zinc/49/87/28/347498728.db2.gz WMCOUGBJKYPEAG-UHFFFAOYSA-N 0 0 244.316 2.477 20 5 BEBDRN Cc1nnc(CNc2cccc(C)c2[N+](=O)[O-])o1 ZINC000591140207 347620248 /nfs/dbraw/zinc/62/02/48/347620248.db2.gz VVQZSHFPAYGFBG-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN O=[N+]([O-])c1cnc(S[C@@H]2CCOC2)c(F)c1 ZINC000591158385 347626734 /nfs/dbraw/zinc/62/67/34/347626734.db2.gz DEYNKKDPQMVYPX-SSDOTTSWSA-N 0 0 244.247 2.010 20 5 BEBDRN O=[N+]([O-])c1cnc(NC2CC(F)(F)C2)c(F)c1 ZINC000591158413 347626740 /nfs/dbraw/zinc/62/67/40/347626740.db2.gz SSRLHSBCNSDPHR-UHFFFAOYSA-N 0 0 247.176 2.339 20 5 BEBDRN Nc1c(-c2nc(C3CC3)no2)cccc1[N+](=O)[O-] ZINC000591347382 347642496 /nfs/dbraw/zinc/64/24/96/347642496.db2.gz PKRZHZATPWCTSD-UHFFFAOYSA-N 0 0 246.226 2.104 20 5 BEBDRN CC(C)N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000198566340 347648436 /nfs/dbraw/zinc/64/84/36/347648436.db2.gz DHQUGZHMFQFGPZ-UHFFFAOYSA-N 0 0 229.667 2.488 20 5 BEBDRN O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CC12CC2 ZINC000591507867 347669168 /nfs/dbraw/zinc/66/91/68/347669168.db2.gz ZKFPRKJXQANCBJ-NSHDSACASA-N 0 0 246.266 2.011 20 5 BEBDRN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])s2)CO1 ZINC000591995697 347721665 /nfs/dbraw/zinc/72/16/65/347721665.db2.gz ARKICYHFCQRMOM-RQJHMYQMSA-N 0 0 228.273 2.246 20 5 BEBDRN CC(C)(C)OCCNc1cccnc1[N+](=O)[O-] ZINC000308528846 347801672 /nfs/dbraw/zinc/80/16/72/347801672.db2.gz MDZVSYMNDVTDLK-UHFFFAOYSA-N 0 0 239.275 2.217 20 5 BEBDRN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1C ZINC000592826641 347819082 /nfs/dbraw/zinc/81/90/82/347819082.db2.gz DTNNENQZKBCWKM-VXNVDRBHSA-N 0 0 249.270 2.231 20 5 BEBDRN CO[C@H](C)CNc1ccsc1[N+](=O)[O-] ZINC000308597799 347890887 /nfs/dbraw/zinc/89/08/87/347890887.db2.gz NFZYKSVHCSFFRP-ZCFIWIBFSA-N 0 0 216.262 2.103 20 5 BEBDRN Cc1cccc(N[C@H](CO)CCF)c1[N+](=O)[O-] ZINC000593508066 347901168 /nfs/dbraw/zinc/90/11/68/347901168.db2.gz CPFIAYWMHSCPIM-VIFPVBQESA-N 0 0 242.250 2.036 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC2(CC2(F)F)C1 ZINC000594589229 348077816 /nfs/dbraw/zinc/07/78/16/348077816.db2.gz JRTBGROIWURMOR-UHFFFAOYSA-N 0 0 240.209 2.440 20 5 BEBDRN O=c1ccn(C[C@@H]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594890601 348124567 /nfs/dbraw/zinc/12/45/67/348124567.db2.gz RUVRRVXVFSMQDF-OUAUKWLOSA-N 0 0 248.282 2.193 20 5 BEBDRN O=[N+]([O-])c1ccc(Cn2cc(C3CC3)nn2)cc1 ZINC000594651919 348089954 /nfs/dbraw/zinc/08/99/54/348089954.db2.gz OUQNSGIIVDQETH-UHFFFAOYSA-N 0 0 244.254 2.112 20 5 BEBDRN O=[N+]([O-])c1cn(CC2CC2)nc1-c1ccccn1 ZINC000594916201 348152052 /nfs/dbraw/zinc/15/20/52/348152052.db2.gz ZAJJMGVTJNFUSW-UHFFFAOYSA-N 0 0 244.254 2.263 20 5 BEBDRN Cc1noc(CN(C)C2CCCC2)c1[N+](=O)[O-] ZINC000595287059 348212448 /nfs/dbraw/zinc/21/24/48/348212448.db2.gz KFUBQNSPNGSITH-UHFFFAOYSA-N 0 0 239.275 2.266 20 5 BEBDRN CC(C)CCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596083298 348431753 /nfs/dbraw/zinc/43/17/53/348431753.db2.gz QSMJNFWKXAMZBV-UHFFFAOYSA-N 0 0 239.275 2.178 20 5 BEBDRN O=c1[nH]ccc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000596051395 348432696 /nfs/dbraw/zinc/43/26/96/348432696.db2.gz QWYVBNKFCIFQFM-UHFFFAOYSA-N 0 0 237.259 2.440 20 5 BEBDRN CC(C)c1cccc(Cn2cnc([N+](=O)[O-])n2)c1 ZINC000596018775 348423156 /nfs/dbraw/zinc/42/31/56/348423156.db2.gz CNQZHBAEFXNALH-UHFFFAOYSA-N 0 0 246.270 2.358 20 5 BEBDRN Cc1noc(CSc2ncco2)c1[N+](=O)[O-] ZINC000596019706 348423184 /nfs/dbraw/zinc/42/31/84/348423184.db2.gz CFWZBNXSFXLCCW-UHFFFAOYSA-N 0 0 241.228 2.172 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[C@@H]2C)n1 ZINC000596246004 348486345 /nfs/dbraw/zinc/48/63/45/348486345.db2.gz CXHLNTHEAGYECB-SCZZXKLOSA-N 0 0 235.287 2.451 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000596246570 348486440 /nfs/dbraw/zinc/48/64/40/348486440.db2.gz DYVSVUGKAGPMGP-NKWVEPMBSA-N 0 0 241.678 2.488 20 5 BEBDRN O=c1[nH]ccc(N[C@@H]2CC[C@H]3C[C@H]3C2)c1[N+](=O)[O-] ZINC000596290322 348488879 /nfs/dbraw/zinc/48/88/79/348488879.db2.gz CATQKYNMGBRKGR-XHNCKOQMSA-N 0 0 249.270 2.296 20 5 BEBDRN Cc1ccnc(N[C@H]2CCSC2)c1[N+](=O)[O-] ZINC000078500839 179460851 /nfs/dbraw/zinc/46/08/51/179460851.db2.gz GQRSIXYUMQIWHK-QMMMGPOBSA-N 0 0 239.300 2.216 20 5 BEBDRN Cc1cc(N[C@@H](C)CCO)c([N+](=O)[O-])s1 ZINC000596133212 348447302 /nfs/dbraw/zinc/44/73/02/348447302.db2.gz FKRQZGVLNGGKDP-LURJTMIESA-N 0 0 230.289 2.148 20 5 BEBDRN O=[N+]([O-])c1ccc(N2C[C@@H]3CCCC[C@@H]32)nc1 ZINC000596294508 348489921 /nfs/dbraw/zinc/48/99/21/348489921.db2.gz LIXBVPMISHJPFP-ONGXEEELSA-N 0 0 233.271 2.369 20 5 BEBDRN Cc1cc(N[C@@H](C)[C@H](C)CO)c([N+](=O)[O-])s1 ZINC000596136992 348448525 /nfs/dbraw/zinc/44/85/25/348448525.db2.gz ZKNDJQZWBBPGQB-SVRRBLITSA-N 0 0 244.316 2.394 20 5 BEBDRN Cc1cc(NCC2(C)COC2)c([N+](=O)[O-])s1 ZINC000596123556 348454546 /nfs/dbraw/zinc/45/45/46/348454546.db2.gz PBGHABMXZAWBOU-UHFFFAOYSA-N 0 0 242.300 2.413 20 5 BEBDRN CO[C@@H](C)CN(C)c1cc(C)sc1[N+](=O)[O-] ZINC000596232489 348463120 /nfs/dbraw/zinc/46/31/20/348463120.db2.gz UXUOEPNYNNUDOR-ZETCQYMHSA-N 0 0 244.316 2.436 20 5 BEBDRN Cc1ccnc(NCC[C@@H](C)F)c1[N+](=O)[O-] ZINC000338752275 179445655 /nfs/dbraw/zinc/44/56/55/179445655.db2.gz FTVAKXOJPHHDFC-MRVPVSSYSA-N 0 0 227.239 2.458 20 5 BEBDRN CC/C=C/CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596254014 348475473 /nfs/dbraw/zinc/47/54/73/348475473.db2.gz ZXKMMLOWBCYTHW-ONEGZZNKSA-N 0 0 223.232 2.074 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@]23C[C@H]2CCC3)c(F)c1 ZINC000596315651 348504977 /nfs/dbraw/zinc/50/49/77/348504977.db2.gz DTNHOABHGZCLHD-RDDDGLTNSA-N 0 0 237.234 2.483 20 5 BEBDRN Cc1cc(NC/C=C\CO)c(F)cc1[N+](=O)[O-] ZINC000596423779 348528556 /nfs/dbraw/zinc/52/85/56/348528556.db2.gz PDUBBZYQSOKESU-IHWYPQMZSA-N 0 0 240.234 2.003 20 5 BEBDRN CN(C[C@@H]1CC1(C)C)c1ncccc1[N+](=O)[O-] ZINC000596566078 348580067 /nfs/dbraw/zinc/58/00/67/348580067.db2.gz DTQZKSDGSPRWIT-VIFPVBQESA-N 0 0 235.287 2.472 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCCOCCF ZINC000596568859 348581468 /nfs/dbraw/zinc/58/14/68/348581468.db2.gz CUCNNQMILFRSTI-UHFFFAOYSA-N 0 0 242.250 2.301 20 5 BEBDRN CO[C@@]1(C)C[C@H]1Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000596541194 348583133 /nfs/dbraw/zinc/58/31/33/348583133.db2.gz ZAZDQANAIMUTCR-NEPJUHHUSA-N 0 0 236.271 2.493 20 5 BEBDRN CC12CC(C1)CN2c1ncc([N+](=O)[O-])cc1F ZINC000596573963 348591192 /nfs/dbraw/zinc/59/11/92/348591192.db2.gz BQQWYAIUGBEWBW-UHFFFAOYSA-N 0 0 237.234 2.118 20 5 BEBDRN Cc1c(-c2cnc(C)c([N+](=O)[O-])c2)cnn1C ZINC000596635835 348598811 /nfs/dbraw/zinc/59/88/11/348598811.db2.gz PSQQPWMKZKCKHA-UHFFFAOYSA-N 0 0 232.243 2.007 20 5 BEBDRN O=[N+]([O-])c1cnccc1NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000596474922 348553969 /nfs/dbraw/zinc/55/39/69/348553969.db2.gz TWKLHNBFCVHDEZ-GARJFASQSA-N 0 0 247.298 2.260 20 5 BEBDRN C[C@]12COC[C@@H]1CN(c1ccccc1[N+](=O)[O-])C2 ZINC000596483475 348558149 /nfs/dbraw/zinc/55/81/49/348558149.db2.gz PBNLSEDPAOVRLY-GWCFXTLKSA-N 0 0 248.282 2.068 20 5 BEBDRN C[C@H](O)C1(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000596522666 348564085 /nfs/dbraw/zinc/56/40/85/348564085.db2.gz AFRVKHCHVYSFBG-ZETCQYMHSA-N 0 0 240.234 2.059 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@H]2COC[C@H]2C1 ZINC000596529337 348566459 /nfs/dbraw/zinc/56/64/59/348566459.db2.gz QYTUDWCHIZPUCZ-WDEREUQCSA-N 0 0 248.282 2.068 20 5 BEBDRN Cc1cc(N2CC[C@@H]3C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000596513123 348574639 /nfs/dbraw/zinc/57/46/39/348574639.db2.gz ZLCNZDREBWEBLC-NXEZZACHSA-N 0 0 233.271 2.144 20 5 BEBDRN Cc1ccc(N[C@H]2CO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000401902014 348651147 /nfs/dbraw/zinc/65/11/47/348651147.db2.gz FVASMFUMEGWDTQ-VHSXEESVSA-N 0 0 236.271 2.493 20 5 BEBDRN CC[C@@H](C)N(CC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000597854626 348826529 /nfs/dbraw/zinc/82/65/29/348826529.db2.gz KEJDPKIVRDPEQF-MRVPVSSYSA-N 0 0 240.259 2.448 20 5 BEBDRN CC[C@@H](C)N(CC)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000597855535 348827006 /nfs/dbraw/zinc/82/70/06/348827006.db2.gz JTZAWUKKPOJELG-MRVPVSSYSA-N 0 0 239.275 2.184 20 5 BEBDRN Cc1cncc(NCc2cccc([N+](=O)[O-])c2)n1 ZINC000302214577 179682365 /nfs/dbraw/zinc/68/23/65/179682365.db2.gz ILWIXYIZVMXOSN-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CC[C@H](C)CCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000597976004 348858357 /nfs/dbraw/zinc/85/83/57/348858357.db2.gz QQGMLUGJQMFIBA-QMMMGPOBSA-N 0 0 240.259 2.354 20 5 BEBDRN O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]2C[C@@H]2C1 ZINC000598327937 348931227 /nfs/dbraw/zinc/93/12/27/348931227.db2.gz HHVJOHSPKVFUQB-NXEZZACHSA-N 0 0 246.266 2.077 20 5 BEBDRN C[C@@H]1C[C@H](Nc2c(F)cccc2[N+](=O)[O-])CO1 ZINC000401976912 349003054 /nfs/dbraw/zinc/00/30/54/349003054.db2.gz WBNGFSWWQHHOTQ-SFYZADRCSA-N 0 0 240.234 2.323 20 5 BEBDRN O=C(CCCF)Nc1ccc([N+](=O)[O-])cc1F ZINC000598807734 349046765 /nfs/dbraw/zinc/04/67/65/349046765.db2.gz JLBDILYKBQJYHB-UHFFFAOYSA-N 0 0 244.197 2.422 20 5 BEBDRN O=C(N[C@@]12C[C@@H]1CCC2)c1ccccc1[N+](=O)[O-] ZINC000598855657 349050522 /nfs/dbraw/zinc/05/05/22/349050522.db2.gz LAXAQENDZAUFKE-ZANVPECISA-N 0 0 246.266 2.267 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCC1CC=CC1 ZINC000599125729 349102220 /nfs/dbraw/zinc/10/22/20/349102220.db2.gz AQJHUYHWCAIKTH-UHFFFAOYSA-N 0 0 219.244 2.368 20 5 BEBDRN Cc1cccc(N2CC3(C2)CCCO3)c1[N+](=O)[O-] ZINC000599144856 349104966 /nfs/dbraw/zinc/10/49/66/349104966.db2.gz RHQPCFYCFXEJLB-UHFFFAOYSA-N 0 0 248.282 2.272 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](F)C2)s1 ZINC000308903606 349061118 /nfs/dbraw/zinc/06/11/18/349061118.db2.gz KGYKPTCKWRTKTH-WDSKDSINSA-N 0 0 231.252 2.354 20 5 BEBDRN CO[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000599189568 349114447 /nfs/dbraw/zinc/11/44/47/349114447.db2.gz HNOKCSJIOSRUIX-KYZUINATSA-N 0 0 240.234 2.323 20 5 BEBDRN CO[C@H]1C[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000599197566 349116577 /nfs/dbraw/zinc/11/65/77/349116577.db2.gz LMIXBNZYWVBKCH-AOOOYVTPSA-N 0 0 236.271 2.432 20 5 BEBDRN CO[C@H]1C[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000599206212 349118872 /nfs/dbraw/zinc/11/88/72/349118872.db2.gz OGXBADLVCZELQB-OCAPTIKFSA-N 0 0 242.300 2.493 20 5 BEBDRN CO[C@@H](C)CCNc1sccc1[N+](=O)[O-] ZINC000308956123 349202817 /nfs/dbraw/zinc/20/28/17/349202817.db2.gz QPUDBWAEYIDASV-ZETCQYMHSA-N 0 0 230.289 2.493 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCCn2ccnc2)cc1 ZINC000020298796 349328837 /nfs/dbraw/zinc/32/88/37/349328837.db2.gz BFAHJWIYBOERGS-UHFFFAOYSA-N 0 0 246.270 2.294 20 5 BEBDRN CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H](C)C1 ZINC000601934608 349388187 /nfs/dbraw/zinc/38/81/87/349388187.db2.gz LZMOYICBMBISKP-MRVPVSSYSA-N 0 0 247.254 2.344 20 5 BEBDRN Cc1nc(NC(=O)CC2CCC2)ccc1[N+](=O)[O-] ZINC000133603494 180007802 /nfs/dbraw/zinc/00/78/02/180007802.db2.gz OPLDPDWFOAZSIO-UHFFFAOYSA-N 0 0 249.270 2.427 20 5 BEBDRN Cc1nc(NC(=O)[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000133926823 180010690 /nfs/dbraw/zinc/01/06/90/180010690.db2.gz PLFTWIHHWUVKTB-ZETCQYMHSA-N 0 0 249.270 2.283 20 5 BEBDRN Cc1nc(N[C@@H](C)C(C)C)ncc1[N+](=O)[O-] ZINC000296453135 180022317 /nfs/dbraw/zinc/02/23/17/180022317.db2.gz IVGDKQCNSFYFSX-ZETCQYMHSA-N 0 0 224.264 2.150 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1CN1CCCC1 ZINC000103464806 323250123 /nfs/dbraw/zinc/25/01/23/323250123.db2.gz AJTOTTYOQLNFPG-UHFFFAOYSA-N 0 0 224.235 2.330 20 5 BEBDRN O=[N+]([O-])c1ccc2[nH]c(CN3CCCC3)nc2c1 ZINC000007049089 350216071 /nfs/dbraw/zinc/21/60/71/350216071.db2.gz YAHSSHRDWQEGNE-UHFFFAOYSA-N 0 0 246.270 2.067 20 5 BEBDRN Cc1nn(C)c(N(C)CC(C)(C)C)c1[N+](=O)[O-] ZINC000263772757 180351620 /nfs/dbraw/zinc/35/16/20/180351620.db2.gz KEPPLFWGLFDUCE-UHFFFAOYSA-N 0 0 240.307 2.119 20 5 BEBDRN Cc1nn(C)cc1CNc1ccc([N+](=O)[O-])cc1 ZINC000135654301 180375385 /nfs/dbraw/zinc/37/53/85/180375385.db2.gz IWUQKDSZOSRMQL-UHFFFAOYSA-N 0 0 246.270 2.249 20 5 BEBDRN Cc1nn([C@@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295295370 180391997 /nfs/dbraw/zinc/39/19/97/180391997.db2.gz JQNPNTSUQOMIJD-IONNQARKSA-N 0 0 209.249 2.461 20 5 BEBDRN Cc1nn([C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000294113680 180392552 /nfs/dbraw/zinc/39/25/52/180392552.db2.gz DCIGIKFBDWFZFQ-YFKPBYRVSA-N 0 0 223.154 2.223 20 5 BEBDRN Cc1nn(Cc2ncoc2C2CC2)cc1[N+](=O)[O-] ZINC000354958241 180392708 /nfs/dbraw/zinc/39/27/08/180392708.db2.gz BWTMMQFUXGACPT-UHFFFAOYSA-N 0 0 248.242 2.013 20 5 BEBDRN CC(C)=CC(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000133777121 191106676 /nfs/dbraw/zinc/10/66/76/191106676.db2.gz BDHBMOQWORFOPU-UHFFFAOYSA-N 0 0 235.243 2.203 20 5 BEBDRN Cc1nn(CCOC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000067651146 180388812 /nfs/dbraw/zinc/38/88/12/180388812.db2.gz VUGJCSOJFGWIGN-UHFFFAOYSA-N 0 0 241.291 2.223 20 5 BEBDRN Cc1nn(COC2CCCC2)c(C)c1[N+](=O)[O-] ZINC000288884379 180389607 /nfs/dbraw/zinc/38/96/07/180389607.db2.gz MPYVYIKPQGSKRN-UHFFFAOYSA-N 0 0 239.275 2.325 20 5 BEBDRN Cc1nnc(COc2ccc([N+](=O)[O-])cc2C)o1 ZINC000131457243 180415891 /nfs/dbraw/zinc/41/58/91/180415891.db2.gz SYWJTCOGXGWYLB-UHFFFAOYSA-N 0 0 249.226 2.174 20 5 BEBDRN O=[N+]([O-])c1ncccc1N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000309509051 350685343 /nfs/dbraw/zinc/68/53/43/350685343.db2.gz OLAHHNFEUBUVQH-MBTKJCJQSA-N 0 0 219.244 2.200 20 5 BEBDRN O=[N+]([O-])c1ccnn1Cc1ccc(F)cc1F ZINC000177580183 366009915 /nfs/dbraw/zinc/00/99/15/366009915.db2.gz KDNUUWFRKFMVNH-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN CCOC(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000063056393 350837025 /nfs/dbraw/zinc/83/70/25/350837025.db2.gz JGIVBCPOCNRYMG-UHFFFAOYSA-N 0 0 227.191 2.219 20 5 BEBDRN COC(=O)CSc1ccc([N+](=O)[O-])c(C)c1 ZINC000222333671 350892930 /nfs/dbraw/zinc/89/29/30/350892930.db2.gz SUMPDXSOWWTJAM-UHFFFAOYSA-N 0 0 241.268 2.168 20 5 BEBDRN C[C@H]1CC[C@H](C)N1c1ccc([N+](=O)[O-])nc1 ZINC000343465858 350971520 /nfs/dbraw/zinc/97/15/20/350971520.db2.gz MVEAWOPMTXIRBC-IUCAKERBSA-N 0 0 221.260 2.367 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)CC(C)(C)C ZINC000343811997 350991606 /nfs/dbraw/zinc/99/16/06/350991606.db2.gz JSXSXBIIZHATKB-UHFFFAOYSA-N 0 0 239.275 2.105 20 5 BEBDRN Cc1cnc(N[C@H]2C[C@H]2C(F)F)c([N+](=O)[O-])c1 ZINC000343826301 350998789 /nfs/dbraw/zinc/99/87/89/350998789.db2.gz BUJXYQNKJPGTOA-RQJHMYQMSA-N 0 0 243.213 2.364 20 5 BEBDRN CN(C(=O)CC1(C)CC1)c1ccc([N+](=O)[O-])nc1 ZINC000344221690 351022540 /nfs/dbraw/zinc/02/25/40/351022540.db2.gz ZYSNHKFCIWRPSU-UHFFFAOYSA-N 0 0 249.270 2.143 20 5 BEBDRN CCC[C@H](CC)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000344534654 351158676 /nfs/dbraw/zinc/15/86/76/351158676.db2.gz PEFKHKHNHPAKDW-QMMMGPOBSA-N 0 0 239.275 2.231 20 5 BEBDRN COc1ccc(OC[C@H](C)OC)cc1[N+](=O)[O-] ZINC000190196163 187487323 /nfs/dbraw/zinc/48/73/23/187487323.db2.gz YJHGVOCDAISLKV-QMMMGPOBSA-N 0 0 241.243 2.017 20 5 BEBDRN Cc1ccc(C(=O)NC[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000032381902 352033704 /nfs/dbraw/zinc/03/37/04/352033704.db2.gz RTOMKQRQAYPXLJ-KOLCDFICSA-N 0 0 248.282 2.289 20 5 BEBDRN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000073565461 352495972 /nfs/dbraw/zinc/49/59/72/352495972.db2.gz FEPIXYCGJLSKFQ-RMKNXTFCSA-N 0 0 246.266 2.229 20 5 BEBDRN COC[C@@H](Nc1ccc([N+](=O)[O-])nc1)C(C)C ZINC000086702936 352520591 /nfs/dbraw/zinc/52/05/91/352520591.db2.gz FMIZPCZHGOYYHI-SNVBAGLBSA-N 0 0 239.275 2.073 20 5 BEBDRN Cc1ccnc(CNc2ccccc2[N+](=O)[O-])n1 ZINC001640050503 1172151771 /nfs/dbraw/zinc/15/17/71/1172151771.db2.gz AJDPUFSBYSVEMX-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000307392141 352568973 /nfs/dbraw/zinc/56/89/73/352568973.db2.gz XVEIFSOWBQLXDH-UHFFFAOYSA-N 0 0 235.026 2.001 20 5 BEBDRN CC(C)N(C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172728088 187817240 /nfs/dbraw/zinc/81/72/40/187817240.db2.gz XYBOROQKAQHMMS-UHFFFAOYSA-N 0 0 236.271 2.004 20 5 BEBDRN CC1(C)SC[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000336728511 187820325 /nfs/dbraw/zinc/82/03/25/187820325.db2.gz CNYKYYFPQSPJFL-QMMMGPOBSA-N 0 0 239.300 2.296 20 5 BEBDRN Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000039246629 180827247 /nfs/dbraw/zinc/82/72/47/180827247.db2.gz JAURTXUKZGZKAK-UHFFFAOYSA-N 0 0 211.608 2.135 20 5 BEBDRN Cc1c(C(=O)N[C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000025770847 353138255 /nfs/dbraw/zinc/13/82/55/353138255.db2.gz JNZGJYDMYVOPCC-VIFPVBQESA-N 0 0 248.282 2.432 20 5 BEBDRN CC(C)=CCNc1ccncc1[N+](=O)[O-] ZINC000232644497 353151837 /nfs/dbraw/zinc/15/18/37/353151837.db2.gz VLVTXDQDHJYXIC-UHFFFAOYSA-N 0 0 207.233 2.368 20 5 BEBDRN CC1(C)C[C@H]1Nc1cc(N)ccc1[N+](=O)[O-] ZINC000282319842 188095967 /nfs/dbraw/zinc/09/59/67/188095967.db2.gz ZIBFMCVXAPIMOM-SNVBAGLBSA-N 0 0 221.260 2.387 20 5 BEBDRN CC(C)=CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000191832983 188174034 /nfs/dbraw/zinc/17/40/34/188174034.db2.gz ZJJYXIHECWZGDC-UHFFFAOYSA-N 0 0 234.255 2.291 20 5 BEBDRN CC(C)(CO)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000269604995 188198064 /nfs/dbraw/zinc/19/80/64/188198064.db2.gz BSGIBDQWJAGNIN-UHFFFAOYSA-N 0 0 246.213 2.056 20 5 BEBDRN Cc1cccc(NCC[C@H](C)O)c1[N+](=O)[O-] ZINC000218854868 188179106 /nfs/dbraw/zinc/17/91/06/188179106.db2.gz MOKIGSHAAVGDCG-VIFPVBQESA-N 0 0 224.260 2.086 20 5 BEBDRN Cc1cccc(NC[C@H](C)CCO)c1[N+](=O)[O-] ZINC000218863738 188179469 /nfs/dbraw/zinc/17/94/69/188179469.db2.gz YFPQCKJXQOVKFM-SECBINFHSA-N 0 0 238.287 2.334 20 5 BEBDRN Cc1cnc(S[C@H](C)[C@H](C)O)c([N+](=O)[O-])c1 ZINC000078671118 188494486 /nfs/dbraw/zinc/49/44/86/188494486.db2.gz SWEVBRNDPOCDBL-JGVFFNPUSA-N 0 0 242.300 2.160 20 5 BEBDRN CC1(COc2ccc([N+](=O)[O-])cc2F)COC1 ZINC000345448061 353814175 /nfs/dbraw/zinc/81/41/75/353814175.db2.gz RPZHTKKLZYUSPI-UHFFFAOYSA-N 0 0 241.218 2.149 20 5 BEBDRN Cc1c(OCC2(C)COC2)cccc1[N+](=O)[O-] ZINC000345462776 353863308 /nfs/dbraw/zinc/86/33/08/353863308.db2.gz RROCMRSRJYBBAW-UHFFFAOYSA-N 0 0 237.255 2.319 20 5 BEBDRN CC(C)C[C@@H](O)CNc1sccc1[N+](=O)[O-] ZINC000301979116 188518618 /nfs/dbraw/zinc/51/86/18/188518618.db2.gz FOLGJOMTONEONJ-MRVPVSSYSA-N 0 0 244.316 2.475 20 5 BEBDRN CC(C)C[C@H](C)Cn1nccc1[N+](=O)[O-] ZINC000281099424 188562229 /nfs/dbraw/zinc/56/22/29/188562229.db2.gz YCQXLDSRXPMSHR-VIFPVBQESA-N 0 0 211.265 2.474 20 5 BEBDRN Cc1cc(N2CC(F)(F)C2)c(F)cc1[N+](=O)[O-] ZINC001640546533 1172176991 /nfs/dbraw/zinc/17/69/91/1172176991.db2.gz NDBFNMXKNGGXGF-UHFFFAOYSA-N 0 0 246.188 2.498 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCC1(C(F)F)CC1 ZINC000619499215 358489505 /nfs/dbraw/zinc/48/95/05/358489505.db2.gz PRALGSRRRVEHHF-UHFFFAOYSA-N 0 0 243.213 2.447 20 5 BEBDRN O=[N+]([O-])c1cn(C[C@H]2C[C@H]3C=C[C@@H]2C3)cn1 ZINC000600514129 363447978 /nfs/dbraw/zinc/44/79/78/363447978.db2.gz HEWZMYXOXYTCOT-IVZWLZJFSA-N 0 0 219.244 2.004 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1[C@@H]1CCC(C)(C)C1=O ZINC000412990089 191331303 /nfs/dbraw/zinc/33/13/03/191331303.db2.gz HMHLCKSHIWUSIZ-MRVPVSSYSA-N 0 0 237.259 2.030 20 5 BEBDRN Cc1nn([C@@H](C)C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000413005600 191337524 /nfs/dbraw/zinc/33/75/24/191337524.db2.gz WJLZMYJOFACJLT-QMMMGPOBSA-N 0 0 249.226 2.137 20 5 BEBDRN Cc1nn([C@H](C)C(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000413005596 191338390 /nfs/dbraw/zinc/33/83/90/191338390.db2.gz WJLZMYJOFACJLT-MRVPVSSYSA-N 0 0 249.226 2.137 20 5 BEBDRN CCCCNc1ncc([N+](=O)[O-])cc1F ZINC000413022996 191343346 /nfs/dbraw/zinc/34/33/46/191343346.db2.gz HNFWBMHHYPKHIB-UHFFFAOYSA-N 0 0 213.212 2.341 20 5 BEBDRN O=[N+]([O-])c1ccc2ccnc(N3CCC3)c2c1 ZINC000413041785 191350031 /nfs/dbraw/zinc/35/00/31/191350031.db2.gz LERIKISRUNWTNX-UHFFFAOYSA-N 0 0 229.239 2.353 20 5 BEBDRN C[C@H]1C[C@@H]1CNc1ncc([N+](=O)[O-])cc1F ZINC000413054255 191350954 /nfs/dbraw/zinc/35/09/54/191350954.db2.gz NDUFNZKXMJVSGT-NKWVEPMBSA-N 0 0 225.223 2.197 20 5 BEBDRN COCC[C@@H](C)CNc1ncccc1[N+](=O)[O-] ZINC000413490976 191388923 /nfs/dbraw/zinc/38/89/23/191388923.db2.gz JJEGGFRRAXYEIC-SECBINFHSA-N 0 0 239.275 2.074 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC(CF)C2)c(Cl)c1 ZINC000413511726 191391789 /nfs/dbraw/zinc/39/17/89/191391789.db2.gz WYAUMSHGUAFFJS-UHFFFAOYSA-N 0 0 245.641 2.049 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000413263572 191367057 /nfs/dbraw/zinc/36/70/57/191367057.db2.gz IJMRHDMTBREJEV-DIYOJNKTSA-N 0 0 237.234 2.339 20 5 BEBDRN C[C@@H]1CC[C@H]1Nc1ncc([N+](=O)[O-])cc1F ZINC000413295855 191369565 /nfs/dbraw/zinc/36/95/65/191369565.db2.gz PVTBWLXTDBFDNZ-HZGVNTEJSA-N 0 0 225.223 2.339 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CC[C@@H](F)C2)c(F)c1 ZINC000413299462 191369655 /nfs/dbraw/zinc/36/96/55/191369655.db2.gz LUTPPDANNZOZSX-RQJHMYQMSA-N 0 0 243.213 2.431 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@@H]2CC[C@H](F)C2)c(F)c1 ZINC000413299253 191370472 /nfs/dbraw/zinc/37/04/72/191370472.db2.gz LUTPPDANNZOZSX-NKWVEPMBSA-N 0 0 243.213 2.431 20 5 BEBDRN O=[N+]([O-])c1cnc(NCCCCF)c(F)c1 ZINC000413307784 191370894 /nfs/dbraw/zinc/37/08/94/191370894.db2.gz IKNVAYICAJMDPF-UHFFFAOYSA-N 0 0 231.202 2.291 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(OCC2(C)COC2)c1 ZINC000345485452 355360155 /nfs/dbraw/zinc/36/01/55/355360155.db2.gz QSZBCOADPABPII-UHFFFAOYSA-N 0 0 237.255 2.319 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]1C ZINC000032517095 355527503 /nfs/dbraw/zinc/52/75/03/355527503.db2.gz XFJZROQNCNRVFK-PSASIEDQSA-N 0 0 234.255 2.498 20 5 BEBDRN CC[C@H](COc1ncc(C)cc1[N+](=O)[O-])OC ZINC000416924157 191770575 /nfs/dbraw/zinc/77/05/75/191770575.db2.gz OXONIIWPAWGDGB-SECBINFHSA-N 0 0 240.259 2.102 20 5 BEBDRN CSCCOc1ccc([N+](=O)[O-])cc1 ZINC000033836268 355756929 /nfs/dbraw/zinc/75/69/29/355756929.db2.gz FQJUTKJBMTUSPU-UHFFFAOYSA-N 0 0 213.258 2.337 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1SCCO ZINC000035082333 355795776 /nfs/dbraw/zinc/79/57/76/355795776.db2.gz UAVPLPIDZBCELB-UHFFFAOYSA-N 0 0 233.676 2.333 20 5 BEBDRN Cc1cc(N[C@H](C)C(C)(C)O)ccc1[N+](=O)[O-] ZINC000087818656 355901484 /nfs/dbraw/zinc/90/14/84/355901484.db2.gz VQHMRGGALSDPFY-SECBINFHSA-N 0 0 238.287 2.475 20 5 BEBDRN O=C(NCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000049374791 356419590 /nfs/dbraw/zinc/41/95/90/356419590.db2.gz UXLQZUVKGWCQPC-UHFFFAOYSA-N 0 0 234.255 2.011 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC(C)C)n1 ZINC000088036078 356436090 /nfs/dbraw/zinc/43/60/90/356436090.db2.gz QHIZEKBZKPLYRW-UHFFFAOYSA-N 0 0 209.249 2.366 20 5 BEBDRN CC[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(C)n1 ZINC000450309105 202125861 /nfs/dbraw/zinc/12/58/61/202125861.db2.gz QVAKCEVZYSNJBQ-SECBINFHSA-N 0 0 236.275 2.072 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC23CCC3)cn1 ZINC000450363117 202142187 /nfs/dbraw/zinc/14/21/87/202142187.db2.gz IFOHAZHTDGJNCG-UHFFFAOYSA-N 0 0 219.244 2.123 20 5 BEBDRN C[C@H]1OCC[C@@H]1Sc1ccc([N+](=O)[O-])nc1 ZINC000450402153 202156411 /nfs/dbraw/zinc/15/64/11/202156411.db2.gz IFWRDEBEGCNVPB-APPZFPTMSA-N 0 0 240.284 2.259 20 5 BEBDRN O=[N+]([O-])c1cccc2c1ccnc2N1CCCO1 ZINC000450436421 202167902 /nfs/dbraw/zinc/16/79/02/202167902.db2.gz RBQZWMUUFRYWCV-UHFFFAOYSA-N 0 0 245.238 2.285 20 5 BEBDRN CC/C=C\CNc1ccc([N+](=O)[O-])nc1 ZINC000384874461 356788790 /nfs/dbraw/zinc/78/87/90/356788790.db2.gz GVKAWJIZLAUDHY-ARJAWSKDSA-N 0 0 207.233 2.368 20 5 BEBDRN CC[C@H](CCO)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000088725276 356794990 /nfs/dbraw/zinc/79/49/90/356794990.db2.gz YKQGQDSVRSALFK-SNVBAGLBSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC2(CO)CC2)c1 ZINC000088726753 356795406 /nfs/dbraw/zinc/79/54/06/356795406.db2.gz HUECWMKWNLSNRL-UHFFFAOYSA-N 0 0 236.271 2.088 20 5 BEBDRN Cc1nc(N[C@H]2CC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450473494 202178451 /nfs/dbraw/zinc/17/84/51/202178451.db2.gz ZTZFNACTGAEJEW-APPZFPTMSA-N 0 0 236.275 2.294 20 5 BEBDRN O=[N+]([O-])c1ccc(SC[C@@H]2CCCO2)cn1 ZINC000450481938 202180348 /nfs/dbraw/zinc/18/03/48/202180348.db2.gz BQRUYBXEJQGWTE-QMMMGPOBSA-N 0 0 240.284 2.261 20 5 BEBDRN CC[C@H](Nc1ccc([N+](=O)[O-])nc1)C(F)F ZINC000450570340 202198889 /nfs/dbraw/zinc/19/88/89/202198889.db2.gz WZSRPFXIVBFMKC-ZETCQYMHSA-N 0 0 231.202 2.445 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC(CF)CF ZINC000450587882 202205689 /nfs/dbraw/zinc/20/56/89/202205689.db2.gz JHIZAWWAUZBVJL-UHFFFAOYSA-N 0 0 216.187 2.314 20 5 BEBDRN COc1cc(N2CC[C@H](F)C2)ccc1[N+](=O)[O-] ZINC000450604141 202208701 /nfs/dbraw/zinc/20/87/01/202208701.db2.gz JLPZQRVWOAVAKJ-QMMMGPOBSA-N 0 0 240.234 2.152 20 5 BEBDRN COc1c(C(=O)OC(C)C)cccc1[N+](=O)[O-] ZINC000137574172 357053667 /nfs/dbraw/zinc/05/36/67/357053667.db2.gz BREUBRSRWISXRU-UHFFFAOYSA-N 0 0 239.227 2.169 20 5 BEBDRN C[C@@H]1CC(C)(C)CN1c1ncc([N+](=O)[O-])cn1 ZINC000583071512 357472953 /nfs/dbraw/zinc/47/29/53/357472953.db2.gz ZLLWGEASOGECBW-MRVPVSSYSA-N 0 0 236.275 2.010 20 5 BEBDRN C[C@H](CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000035606943 358002853 /nfs/dbraw/zinc/00/28/53/358002853.db2.gz GPSQMLDBNVTQPE-ZCFIWIBFSA-N 0 0 230.651 2.041 20 5 BEBDRN CC[C@H](C)[C@H](C)n1nc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001641159734 1172230759 /nfs/dbraw/zinc/23/07/59/1172230759.db2.gz FAHUHGAVUYOAQZ-BQBZGAKWSA-N 0 0 242.235 2.307 20 5 BEBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)[C@@H](C)[C@H]1C ZINC000584519879 358030109 /nfs/dbraw/zinc/03/01/09/358030109.db2.gz LIEBPVUPWHGHDK-UTLUCORTSA-N 0 0 235.287 2.471 20 5 BEBDRN O=[N+]([O-])c1ccc(OCC[C@H]2CCOC2)cc1 ZINC000450622023 202213911 /nfs/dbraw/zinc/21/39/11/202213911.db2.gz NAVNWTZCOAGEOU-SNVBAGLBSA-N 0 0 237.255 2.400 20 5 BEBDRN Cc1cc(N2CC[C@H]2C2CC2)ncc1[N+](=O)[O-] ZINC000450648028 202225594 /nfs/dbraw/zinc/22/55/94/202225594.db2.gz VNGGDNJHWLJWHY-JTQLQIEISA-N 0 0 233.271 2.287 20 5 BEBDRN CC/C=C/CNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000450698048 202237591 /nfs/dbraw/zinc/23/75/91/202237591.db2.gz VQSFLEHVZQYFGB-ONEGZZNKSA-N 0 0 249.270 2.072 20 5 BEBDRN O=[N+]([O-])c1ccnn1CCc1ccccc1 ZINC000172918892 134270572 /nfs/dbraw/zinc/27/05/72/134270572.db2.gz JVXIXUYITXFODM-UHFFFAOYSA-N 0 0 217.228 2.034 20 5 BEBDRN C[C@H](NCc1ccccc1[N+](=O)[O-])c1cn[nH]c1 ZINC000231043669 358542796 /nfs/dbraw/zinc/54/27/96/358542796.db2.gz SQYXKABVFNKTTQ-VIFPVBQESA-N 0 0 246.270 2.169 20 5 BEBDRN CC1(C)OCC[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000296422499 358959380 /nfs/dbraw/zinc/95/93/80/358959380.db2.gz XPZNCGKSIBZNAI-LURJTMIESA-N 0 0 243.288 2.031 20 5 BEBDRN Cc1nn(CC[C@H](C)O)c2ccc([N+](=O)[O-])cc12 ZINC000450889249 202296716 /nfs/dbraw/zinc/29/67/16/202296716.db2.gz QHOLCZFVCXHYST-QMMMGPOBSA-N 0 0 249.270 2.024 20 5 BEBDRN CCc1nc(COc2ccccc2[N+](=O)[O-])no1 ZINC000064652403 360542440 /nfs/dbraw/zinc/54/24/40/360542440.db2.gz LEHWWHIALFVTMR-UHFFFAOYSA-N 0 0 249.226 2.119 20 5 BEBDRN CCCN(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000063602374 360785720 /nfs/dbraw/zinc/78/57/20/360785720.db2.gz OTWYABAKNVGCPO-CMDGGOBGSA-N 0 0 248.282 2.476 20 5 BEBDRN CO[C@H](COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000424086240 200856903 /nfs/dbraw/zinc/85/69/03/200856903.db2.gz QFLVLOGCVNEGQS-GFCCVEGCSA-N 0 0 237.255 2.399 20 5 BEBDRN C[C@@H]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cn2)C1 ZINC000428661668 201032837 /nfs/dbraw/zinc/03/28/37/201032837.db2.gz UWYZFKCWZIRDNL-RKDXNWHRSA-N 0 0 236.275 2.010 20 5 BEBDRN O=C(Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1 ZINC000428788880 201041182 /nfs/dbraw/zinc/04/11/82/201041182.db2.gz SRNSLAOQJXPCHZ-UHFFFAOYSA-N 0 0 246.222 2.369 20 5 BEBDRN Cc1cc(Nc2c[nH]cn2)ccc1[N+](=O)[O-] ZINC000579311104 366756964 /nfs/dbraw/zinc/75/69/64/366756964.db2.gz CGXDBKZKEDFQKF-UHFFFAOYSA-N 0 0 218.216 2.370 20 5 BEBDRN Cc1ccc(NCc2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000037059864 361614110 /nfs/dbraw/zinc/61/41/10/361614110.db2.gz ZCDJKGSHHJGSQC-UHFFFAOYSA-N 0 0 232.243 2.238 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1NCc1cc[nH]n1 ZINC000037061852 361622657 /nfs/dbraw/zinc/62/26/57/361622657.db2.gz QIRUPYKDDXBURB-UHFFFAOYSA-N 0 0 232.243 2.238 20 5 BEBDRN O=[N+]([O-])c1cn(Cc2ccncc2)nc1C1CC1 ZINC000436208850 201313604 /nfs/dbraw/zinc/31/36/04/201313604.db2.gz JGDWJULOVKQQHD-UHFFFAOYSA-N 0 0 244.254 2.112 20 5 BEBDRN CC(C)(CO)CNc1c(F)cccc1[N+](=O)[O-] ZINC000161280720 363887570 /nfs/dbraw/zinc/88/75/70/363887570.db2.gz WVRJQUIQYGUTRP-UHFFFAOYSA-N 0 0 242.250 2.164 20 5 BEBDRN Cc1nn(Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000181821212 366850108 /nfs/dbraw/zinc/85/01/08/366850108.db2.gz ODMFEMDFRHNNKJ-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN Cc1cc(F)ccc1Cn1nccc1[N+](=O)[O-] ZINC000181996599 366858752 /nfs/dbraw/zinc/85/87/52/366858752.db2.gz HGSBCQCMUFYVSN-UHFFFAOYSA-N 0 0 235.218 2.287 20 5 BEBDRN Cc1ccnc(S[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000573631018 364880156 /nfs/dbraw/zinc/88/01/56/364880156.db2.gz MEBDGGGVQHNLCC-QMMMGPOBSA-N 0 0 240.284 2.179 20 5 BEBDRN Cc1ccnc(S[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000573631017 364880649 /nfs/dbraw/zinc/88/06/49/364880649.db2.gz MEBDGGGVQHNLCC-MRVPVSSYSA-N 0 0 240.284 2.179 20 5 BEBDRN CC(C)C(C)(C)Nc1ncc([N+](=O)[O-])cn1 ZINC000574092942 364986303 /nfs/dbraw/zinc/98/63/03/364986303.db2.gz UBEQYRMTUKXFJO-UHFFFAOYSA-N 0 0 224.264 2.231 20 5 BEBDRN Cc1c(NCCC2(O)CC2)cccc1[N+](=O)[O-] ZINC000442857389 192996609 /nfs/dbraw/zinc/99/66/09/192996609.db2.gz NGFRJSYLNVGWKR-UHFFFAOYSA-N 0 0 236.271 2.230 20 5 BEBDRN Cc1ccc(OCCC2(O)CC2)c([N+](=O)[O-])c1 ZINC000442907220 193004291 /nfs/dbraw/zinc/00/42/91/193004291.db2.gz YUHPPVHMNUFXCV-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCCC1(O)CC1 ZINC000442904698 193004587 /nfs/dbraw/zinc/00/45/87/193004587.db2.gz BKLRZGPJDXXNRK-UHFFFAOYSA-N 0 0 237.255 2.197 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(N2CCCCO2)n1 ZINC000443518837 193023573 /nfs/dbraw/zinc/02/35/73/193023573.db2.gz UJAINUOODVFBPM-UHFFFAOYSA-N 0 0 237.259 2.138 20 5 BEBDRN O=[N+]([O-])c1cn(Cc2c(F)cccc2F)cn1 ZINC000182685947 366931819 /nfs/dbraw/zinc/93/18/19/366931819.db2.gz ZTNHGTQKEISFOT-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(Nc2c[nH]cn2)c1 ZINC000580807284 367171183 /nfs/dbraw/zinc/17/11/83/367171183.db2.gz PEQCVPQDFZMMLP-UHFFFAOYSA-N 0 0 218.216 2.370 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2ncccc2F)cn1 ZINC000580749439 367154456 /nfs/dbraw/zinc/15/44/56/367154456.db2.gz PVPCSUBVDZNFBM-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1C2CCC1CC2 ZINC000581084139 367260752 /nfs/dbraw/zinc/26/07/52/367260752.db2.gz CIFHEEADSPAQEE-UHFFFAOYSA-N 0 0 248.282 2.427 20 5 BEBDRN CCO[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000581230094 367300628 /nfs/dbraw/zinc/30/06/28/367300628.db2.gz MDRQUMDRNLNZER-JQWIXIFHSA-N 0 0 236.271 2.493 20 5 BEBDRN CC[C@H](F)CSCCn1cc([N+](=O)[O-])cn1 ZINC000442535706 201572206 /nfs/dbraw/zinc/57/22/06/201572206.db2.gz BJCPHJLBFPHMJI-QMMMGPOBSA-N 0 0 247.295 2.273 20 5 BEBDRN CC[C@H](Nc1ccc([N+](=O)[O-])nc1)c1ncc[nH]1 ZINC000139778796 368154662 /nfs/dbraw/zinc/15/46/62/368154662.db2.gz HCJSAABCWBWMOX-VIFPVBQESA-N 0 0 247.258 2.276 20 5 BEBDRN CCC[C@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000041986419 368297161 /nfs/dbraw/zinc/29/71/61/368297161.db2.gz QHIKOVZIMDFDHI-QMMMGPOBSA-N 0 0 240.259 2.448 20 5 BEBDRN COCCCSc1ccc([N+](=O)[O-])cn1 ZINC000159753435 201688667 /nfs/dbraw/zinc/68/86/67/201688667.db2.gz BFGZVVYNIJUSPU-UHFFFAOYSA-N 0 0 228.273 2.118 20 5 BEBDRN CC[C@@H](C)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000057073917 368481790 /nfs/dbraw/zinc/48/17/90/368481790.db2.gz YEWIODLEVCOWRW-HTQZYQBOSA-N 0 0 239.275 2.087 20 5 BEBDRN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC1 ZINC000060632889 368548972 /nfs/dbraw/zinc/54/89/72/368548972.db2.gz CWIXJOWVGMNPII-UHFFFAOYSA-N 0 0 240.646 2.094 20 5 BEBDRN CC(C)[C@@H]1C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000458118500 203134913 /nfs/dbraw/zinc/13/49/13/203134913.db2.gz BYAIYOUUEUQVBN-NWDGAFQWSA-N 0 0 248.282 2.369 20 5 BEBDRN CC(C)[C@@H]1C[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000458122173 203137537 /nfs/dbraw/zinc/13/75/37/203137537.db2.gz GXACUSXAATZWAU-NWDGAFQWSA-N 0 0 248.282 2.369 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CCSCC(C)C ZINC000091583102 369452094 /nfs/dbraw/zinc/45/20/94/369452094.db2.gz GKAJRALXIYTAOK-UHFFFAOYSA-N 0 0 243.332 2.489 20 5 BEBDRN Cc1cc(COc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000204067897 369508996 /nfs/dbraw/zinc/50/89/96/369508996.db2.gz UTJXRZOEMWSXSS-UHFFFAOYSA-N 0 0 247.254 2.216 20 5 BEBDRN C[C@H]1SCC[C@H]1Nc1cccnc1[N+](=O)[O-] ZINC000309531959 370223870 /nfs/dbraw/zinc/22/38/70/370223870.db2.gz AALVYMNKPDICCB-HTQZYQBOSA-N 0 0 239.300 2.296 20 5 BEBDRN C/C=C\C[C@@H](CO)Nc1ccc([N+](=O)[O-])s1 ZINC000309975009 370283670 /nfs/dbraw/zinc/28/36/70/370283670.db2.gz SBEQAASCLNDDFW-KZUAUGPASA-N 0 0 242.300 2.395 20 5 BEBDRN Cc1noc(-c2ccc([N+](=O)[O-])s2)n1 ZINC000349768931 370430329 /nfs/dbraw/zinc/43/03/29/370430329.db2.gz CAIRXHVOSDNVOC-UHFFFAOYSA-N 0 0 211.202 2.015 20 5 BEBDRN C[C@@H]1C[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000078148810 370544796 /nfs/dbraw/zinc/54/47/96/370544796.db2.gz XZUHYYZRUVGCBR-PSASIEDQSA-N 0 0 246.266 2.140 20 5 BEBDRN CC1(C)CN(c2ccc([N+](=O)[O-])s2)CCO1 ZINC000066410766 370577756 /nfs/dbraw/zinc/57/77/56/370577756.db2.gz KUQVMOWVZNIVCL-UHFFFAOYSA-N 0 0 242.300 2.272 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@H]2C(F)(F)F)nc1 ZINC000619698241 370583805 /nfs/dbraw/zinc/58/38/05/370583805.db2.gz RQTHFPOUAYRJAE-RNFRBKRXSA-N 0 0 247.176 2.353 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC=CC1 ZINC000154488612 371124519 /nfs/dbraw/zinc/12/45/19/371124519.db2.gz BLYNURLXWOWPJX-UHFFFAOYSA-N 0 0 246.266 2.352 20 5 BEBDRN Cc1ncc([N+](=O)[O-])n1CC(=O)CCC(C)C ZINC000155536509 371259191 /nfs/dbraw/zinc/25/91/91/371259191.db2.gz VIVCRKZSCKHEBO-UHFFFAOYSA-N 0 0 239.275 2.105 20 5 BEBDRN CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000020448765 371283534 /nfs/dbraw/zinc/28/35/34/371283534.db2.gz JBEMHSFKNFZNQH-ZETCQYMHSA-N 0 0 226.232 2.106 20 5 BEBDRN Nc1ccc(CNc2ccc([N+](=O)[O-])cc2)cn1 ZINC000302657357 181707024 /nfs/dbraw/zinc/70/70/24/181707024.db2.gz AKMNROJGOBVPRF-UHFFFAOYSA-N 0 0 244.254 2.184 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CCC(O)CC2)cc1 ZINC000022148016 371520764 /nfs/dbraw/zinc/52/07/64/371520764.db2.gz NHEUKEMSVNDSIK-UHFFFAOYSA-N 0 0 236.271 2.310 20 5 BEBDRN CC(C)(F)c1nc(-c2ccc([N+](=O)[O-])o2)no1 ZINC000351146044 371610327 /nfs/dbraw/zinc/61/03/27/371610327.db2.gz LJXOSTPSNNFGEH-UHFFFAOYSA-N 0 0 241.178 2.442 20 5 BEBDRN CC1(c2nc(-c3ccc([N+](=O)[O-])o3)no2)CC1 ZINC000351151883 371611785 /nfs/dbraw/zinc/61/17/85/371611785.db2.gz VZIPUIJLFFJTDQ-UHFFFAOYSA-N 0 0 235.199 2.289 20 5 BEBDRN O=C(c1cccc([N+](=O)[O-])c1)N(C1CC1)C1CC1 ZINC000600367264 371666046 /nfs/dbraw/zinc/66/60/46/371666046.db2.gz YGVAXQZFMGEVKC-UHFFFAOYSA-N 0 0 246.266 2.362 20 5 BEBDRN C/C=C/CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000600495073 371675245 /nfs/dbraw/zinc/67/52/45/371675245.db2.gz ULPAREFBIBYYTC-ONEGZZNKSA-N 0 0 234.255 2.209 20 5 BEBDRN C/C=C\CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000600492281 371675326 /nfs/dbraw/zinc/67/53/26/371675326.db2.gz QHKZKYKRWQNWJF-XOULXFPDSA-N 0 0 248.282 2.391 20 5 BEBDRN C/C=C\CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000600490955 371675569 /nfs/dbraw/zinc/67/55/69/371675569.db2.gz JFNIPBZMNNTOGC-ARJAWSKDSA-N 0 0 234.255 2.209 20 5 BEBDRN C[C@H]1C[C@@H]1Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000600527371 371681085 /nfs/dbraw/zinc/68/10/85/371681085.db2.gz OIYUWTGCJIRWAO-JGVFFNPUSA-N 0 0 248.238 2.159 20 5 BEBDRN C/C=C\C[C@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000351546407 371643467 /nfs/dbraw/zinc/64/34/67/371643467.db2.gz UWFNNYILFXKYRN-MXQLGCADSA-N 0 0 236.271 2.334 20 5 BEBDRN C[C@H]1OCC[C@H]1COc1ccccc1[N+](=O)[O-] ZINC000601068901 371724719 /nfs/dbraw/zinc/72/47/19/371724719.db2.gz GXXPGNMLAXTMOP-ZJUUUORDSA-N 0 0 237.255 2.399 20 5 BEBDRN O=[N+]([O-])c1ccc2nccc(NCC3CC3)c2c1 ZINC000601101417 371727812 /nfs/dbraw/zinc/72/78/12/371727812.db2.gz MZLQUSNAIMPPQW-UHFFFAOYSA-N 0 0 243.266 2.387 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CC[C@H]2C(F)(F)F)cn1 ZINC000601187958 371735605 /nfs/dbraw/zinc/73/56/05/371735605.db2.gz AEPAOGOKWQBUSI-ZETCQYMHSA-N 0 0 247.176 2.131 20 5 BEBDRN Cc1cc(NCC(C)(C)F)ncc1[N+](=O)[O-] ZINC000601206264 371736851 /nfs/dbraw/zinc/73/68/51/371736851.db2.gz TZZYWVCGEMFNHJ-UHFFFAOYSA-N 0 0 227.239 2.458 20 5 BEBDRN CCc1nn(C)c(NCC(C)(C)F)c1[N+](=O)[O-] ZINC000601206100 371736906 /nfs/dbraw/zinc/73/69/06/371736906.db2.gz OIEWSWBHKBVXND-UHFFFAOYSA-N 0 0 244.270 2.051 20 5 BEBDRN Cc1nn(CSC(C)C)cc1[N+](=O)[O-] ZINC000600543337 371683179 /nfs/dbraw/zinc/68/31/79/371683179.db2.gz IFUVHTMKNGTKPQ-UHFFFAOYSA-N 0 0 215.278 2.199 20 5 BEBDRN C[C@@H]1C[C@@H]1Cn1cc([N+](=O)[O-])c(C2CC2)n1 ZINC000600536667 371683450 /nfs/dbraw/zinc/68/34/50/371683450.db2.gz UYFHULDRTXBQIA-VXNVDRBHSA-N 0 0 221.260 2.325 20 5 BEBDRN CC1(F)CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000601246634 371741107 /nfs/dbraw/zinc/74/11/07/371741107.db2.gz PQVSATXBUBDDCU-UHFFFAOYSA-N 0 0 245.279 2.380 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NCCC(C)(C)C ZINC000029623886 371792488 /nfs/dbraw/zinc/79/24/88/371792488.db2.gz HECUDTJYRZRNGD-UHFFFAOYSA-N 0 0 226.280 2.176 20 5 BEBDRN Cc1c([N+](=O)[O-])cccc1N1N=CC[C@@H](C)C1=O ZINC000601937167 371777840 /nfs/dbraw/zinc/77/78/40/371777840.db2.gz CELODSZKAUGEFM-MRVPVSSYSA-N 0 0 247.254 2.262 20 5 BEBDRN CCC(F)(F)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000603331237 371886526 /nfs/dbraw/zinc/88/65/26/371886526.db2.gz DNZRBRBAITXBJO-UHFFFAOYSA-N 0 0 219.191 2.145 20 5 BEBDRN Cc1c(CC(=O)N2CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000603265526 371877977 /nfs/dbraw/zinc/87/79/77/371877977.db2.gz HGWRDERFFVVNJU-SECBINFHSA-N 0 0 248.282 2.067 20 5 BEBDRN CC(C)CSCc1cn(C)nc1[N+](=O)[O-] ZINC000603299808 371880126 /nfs/dbraw/zinc/88/01/26/371880126.db2.gz MHNRQOHKDZPTOP-UHFFFAOYSA-N 0 0 229.305 2.218 20 5 BEBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000603937190 371942899 /nfs/dbraw/zinc/94/28/99/371942899.db2.gz NVEJNDVPHNHBGK-OCAPTIKFSA-N 0 0 242.300 2.270 20 5 BEBDRN Cc1nnc(CNc2ccc([N+](=O)[O-])c(C)c2)o1 ZINC000603932689 371943833 /nfs/dbraw/zinc/94/38/33/371943833.db2.gz ROBYJIWQRKWKHP-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1nn(C)c(NC[C@H](C)C2CC2)c1[N+](=O)[O-] ZINC000132809568 371926637 /nfs/dbraw/zinc/92/66/37/371926637.db2.gz KRPULAFCYCGXDQ-ZETCQYMHSA-N 0 0 238.291 2.095 20 5 BEBDRN Cc1cc(C(=O)N2CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000604452220 371979910 /nfs/dbraw/zinc/97/99/10/371979910.db2.gz OXOXSGVGHVMTHI-SECBINFHSA-N 0 0 234.255 2.138 20 5 BEBDRN Cc1cc(C(=O)Nc2cnoc2)ccc1[N+](=O)[O-] ZINC000604542168 371986334 /nfs/dbraw/zinc/98/63/34/371986334.db2.gz BTKGXYUJWXAFTJ-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN O=C(CC1CC1)Oc1cccc([N+](=O)[O-])c1 ZINC000298371447 181893606 /nfs/dbraw/zinc/89/36/06/181893606.db2.gz VIIKHXKABRYOKC-UHFFFAOYSA-N 0 0 221.212 2.300 20 5 BEBDRN CC[C@@H]1CCCCN1c1c([N+](=O)[O-])ncn1C ZINC000008308451 372558363 /nfs/dbraw/zinc/55/83/63/372558363.db2.gz GSLACZWVMNIXHY-SECBINFHSA-N 0 0 238.291 2.097 20 5 BEBDRN CN(Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000171618051 372710800 /nfs/dbraw/zinc/71/08/00/372710800.db2.gz BROLTXOEARVWME-UHFFFAOYSA-N 0 0 224.235 2.328 20 5 BEBDRN CC1(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000038841358 372787978 /nfs/dbraw/zinc/78/79/78/372787978.db2.gz SBTZUCSCPRZSHV-UHFFFAOYSA-N 0 0 220.228 2.333 20 5 BEBDRN O=[N+]([O-])c1ccccc1OC[C@H]1CCCO1 ZINC000038917821 372812834 /nfs/dbraw/zinc/81/28/34/372812834.db2.gz ZKQZHEDQQZXXNR-SECBINFHSA-N 0 0 223.228 2.153 20 5 BEBDRN O=C(COc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000278193383 182001509 /nfs/dbraw/zinc/00/15/09/182001509.db2.gz DUHSSYHSIYLZSA-UHFFFAOYSA-N 0 0 235.239 2.343 20 5 BEBDRN O=C(CSc1ncccc1[N+](=O)[O-])C1CC1 ZINC000109198162 182010226 /nfs/dbraw/zinc/01/02/26/182010226.db2.gz FGWVXSWUKQJOAF-UHFFFAOYSA-N 0 0 238.268 2.061 20 5 BEBDRN CC(C)(C)CNc1ccc([N+](=O)[O-])cn1 ZINC000040494022 373329509 /nfs/dbraw/zinc/32/95/09/373329509.db2.gz FGDKKJSOAALDRY-UHFFFAOYSA-N 0 0 209.249 2.448 20 5 BEBDRN COCCn1ccc2c1cccc2[N+](=O)[O-] ZINC000174159456 205554917 /nfs/dbraw/zinc/55/49/17/205554917.db2.gz UCDJVQOUJZBCKG-UHFFFAOYSA-N 0 0 220.228 2.196 20 5 BEBDRN O=C(NCC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000026140693 182144974 /nfs/dbraw/zinc/14/49/74/182144974.db2.gz UCVCFFYPLCECOG-UHFFFAOYSA-N 0 0 234.255 2.125 20 5 BEBDRN O=C(NCCCCF)c1ccc([N+](=O)[O-])s1 ZINC000360531100 182164221 /nfs/dbraw/zinc/16/42/21/182164221.db2.gz SSJGHRLXEAHMAQ-UHFFFAOYSA-N 0 0 246.263 2.136 20 5 BEBDRN CC[C@H](O)COc1ccc(C)cc1[N+](=O)[O-] ZINC000041045815 374098064 /nfs/dbraw/zinc/09/80/64/374098064.db2.gz RSYKLTIRQKWZHW-VIFPVBQESA-N 0 0 225.244 2.053 20 5 BEBDRN CC[C@@H](O)COc1ccc(C)cc1[N+](=O)[O-] ZINC000041045816 374098662 /nfs/dbraw/zinc/09/86/62/374098662.db2.gz RSYKLTIRQKWZHW-SECBINFHSA-N 0 0 225.244 2.053 20 5 BEBDRN CS[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000042847798 374293060 /nfs/dbraw/zinc/29/30/60/374293060.db2.gz BYMZZNRKTPJKNI-ZETCQYMHSA-N 0 0 240.284 2.285 20 5 BEBDRN O=C(N[C@@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000172497657 182291078 /nfs/dbraw/zinc/29/10/78/182291078.db2.gz AKMBPLFLVZVYNA-LLVKDONJSA-N 0 0 246.266 2.433 20 5 BEBDRN O=C(N[C@@H]1CC=CCC1)c1ccccc1[N+](=O)[O-] ZINC000172495568 182291662 /nfs/dbraw/zinc/29/16/62/182291662.db2.gz FMLZZXOJJIZBOD-SNVBAGLBSA-N 0 0 246.266 2.433 20 5 BEBDRN O=C(N[C@H]1CC=CCC1)c1cccc([N+](=O)[O-])c1 ZINC000172497654 182326969 /nfs/dbraw/zinc/32/69/69/182326969.db2.gz AKMBPLFLVZVYNA-NSHDSACASA-N 0 0 246.266 2.433 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(F)F ZINC000297758581 182362660 /nfs/dbraw/zinc/36/26/60/182362660.db2.gz ITQRNCNVLNQJOB-MRVPVSSYSA-N 0 0 242.181 2.189 20 5 BEBDRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(F)c[nH]1 ZINC000335926839 182371726 /nfs/dbraw/zinc/37/17/26/182371726.db2.gz FGMSFTTZCPNYRD-UHFFFAOYSA-N 0 0 249.201 2.314 20 5 BEBDRN O=[N+]([O-])c1cnn(Cc2ccccc2CF)c1 ZINC001643633444 1172482202 /nfs/dbraw/zinc/48/22/02/1172482202.db2.gz NECHXUIFIOVHDG-UHFFFAOYSA-N 0 0 235.218 2.309 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H](CO)C2CC2)cc1 ZINC000357784066 182936445 /nfs/dbraw/zinc/93/64/45/182936445.db2.gz PTYZGGUKEYUWJP-JTQLQIEISA-N 0 0 236.271 2.025 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1NC1(CO)CCC1 ZINC000133024591 182922890 /nfs/dbraw/zinc/92/28/90/182922890.db2.gz XUXNERGARLFYPK-UHFFFAOYSA-N 0 0 240.234 2.061 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(NC2CC2)c(F)c1 ZINC000227887298 182923400 /nfs/dbraw/zinc/92/34/00/182923400.db2.gz OXBBMRWCJMDPFN-UHFFFAOYSA-N 0 0 214.171 2.447 20 5 BEBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CCC1 ZINC000276718886 182925658 /nfs/dbraw/zinc/92/56/58/182925658.db2.gz ZFDWPZURHSEZAA-UHFFFAOYSA-N 0 0 229.239 2.353 20 5 BEBDRN O=[N+]([O-])c1cc2ccccc2nc1N1CC(F)C1 ZINC000352362810 182926570 /nfs/dbraw/zinc/92/65/70/182926570.db2.gz YFOOKUSRTYYCBS-UHFFFAOYSA-N 0 0 247.229 2.301 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCCO2)c(Cl)c1 ZINC000273359133 182933842 /nfs/dbraw/zinc/93/38/42/182933842.db2.gz DDTGRXWEQQARRH-UHFFFAOYSA-N 0 0 228.635 2.390 20 5 BEBDRN O=[N+]([O-])c1ccccc1CCNc1cnccn1 ZINC000301468029 182949340 /nfs/dbraw/zinc/94/93/40/182949340.db2.gz RDEAASIOZMMZAI-UHFFFAOYSA-N 0 0 244.254 2.039 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC1CCC(O)CC1 ZINC000019989965 182951139 /nfs/dbraw/zinc/95/11/39/182951139.db2.gz GQGDKTBKAXHVCD-UHFFFAOYSA-N 0 0 236.271 2.310 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000309497760 182953957 /nfs/dbraw/zinc/95/39/57/182953957.db2.gz KRSUMGIEKIHOJU-MBTKJCJQSA-N 0 0 219.244 2.200 20 5 BEBDRN O=[N+]([O-])c1ccc(Nc2cn[nH]c2)c(F)c1 ZINC000301108905 182938049 /nfs/dbraw/zinc/93/80/49/182938049.db2.gz XIOHUOCJDDHZAQ-UHFFFAOYSA-N 0 0 222.179 2.201 20 5 BEBDRN O=[N+]([O-])c1ccc(OCCCF)cc1F ZINC000088027779 182938936 /nfs/dbraw/zinc/93/89/36/182938936.db2.gz CERULEVPJBQHTN-UHFFFAOYSA-N 0 0 217.171 2.472 20 5 BEBDRN O=[N+]([O-])c1cnn(CCCc2ccsc2)c1 ZINC000360947031 182960222 /nfs/dbraw/zinc/96/02/22/182960222.db2.gz RBZOBHJGXMBRQS-UHFFFAOYSA-N 0 0 237.284 2.486 20 5 BEBDRN O=[N+]([O-])c1cnc(NCC2=CCCCC2)nc1 ZINC000294984057 182957843 /nfs/dbraw/zinc/95/78/43/182957843.db2.gz PUTHCBLDEMYCAG-UHFFFAOYSA-N 0 0 234.259 2.297 20 5 BEBDRN O=[N+]([O-])c1cnc(N[C@H]2CCC[C@H]2F)s1 ZINC000338838911 182958763 /nfs/dbraw/zinc/95/87/63/182958763.db2.gz AXSRRIZAVQQGJU-RITPCOANSA-N 0 0 231.252 2.354 20 5 BEBDRN CCCN(C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194499817 169059261 /nfs/dbraw/zinc/05/92/61/169059261.db2.gz IKHYPHQZSSGEPS-UHFFFAOYSA-N 0 0 236.271 2.385 20 5 BEBDRN CCCN(CC)C(=O)c1ccccc1[N+](=O)[O-] ZINC000298424957 169119331 /nfs/dbraw/zinc/11/93/31/169119331.db2.gz HEQQJFYIBRIOEU-UHFFFAOYSA-N 0 0 236.271 2.467 20 5 BEBDRN CCC[C@@H](C)N(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000340821678 169364218 /nfs/dbraw/zinc/36/42/18/169364218.db2.gz POQALLJSHCFGMT-MRVPVSSYSA-N 0 0 239.275 2.184 20 5 BEBDRN CCC[C@H](CNc1ccc([N+](=O)[O-])cn1)OC ZINC000293618040 169499634 /nfs/dbraw/zinc/49/96/34/169499634.db2.gz IDKHDGWDBYYDCO-SNVBAGLBSA-N 0 0 239.275 2.217 20 5 BEBDRN CCC[C@H]1C[C@@H]1Nc1ncc([N+](=O)[O-])c(C)n1 ZINC000297278716 169534798 /nfs/dbraw/zinc/53/47/98/169534798.db2.gz XGZKCJYOENLLGD-IUCAKERBSA-N 0 0 236.275 2.294 20 5 BEBDRN C[C@@H](CCO)CNc1c(F)cccc1[N+](=O)[O-] ZINC000288214003 383827136 /nfs/dbraw/zinc/82/71/36/383827136.db2.gz DHHIYIHAJAOMIS-QMMMGPOBSA-N 0 0 242.250 2.164 20 5 BEBDRN CC(C)=CCn1c(C)ccc([N+](=O)[O-])c1=O ZINC000288581623 383913461 /nfs/dbraw/zinc/91/34/61/383913461.db2.gz LARLKZWTZHWCOX-UHFFFAOYSA-N 0 0 222.244 2.031 20 5 BEBDRN CC[C@H](CCO)Nc1cccc(F)c1[N+](=O)[O-] ZINC000134964952 383894776 /nfs/dbraw/zinc/89/47/76/383894776.db2.gz UCQCQNPCXXHZRQ-MRVPVSSYSA-N 0 0 242.250 2.307 20 5 BEBDRN Cc1nnc([C@@H](C)Nc2ccccc2[N+](=O)[O-])[nH]1 ZINC000286617302 383900367 /nfs/dbraw/zinc/90/03/67/383900367.db2.gz UJUWZIDNMFHRPE-SSDOTTSWSA-N 0 0 247.258 2.194 20 5 BEBDRN O=[N+]([O-])c1cccnc1SCC(F)F ZINC000112770895 383950135 /nfs/dbraw/zinc/95/01/35/383950135.db2.gz MJARRLLSPNBIAX-UHFFFAOYSA-N 0 0 220.200 2.347 20 5 BEBDRN COC(C)(C)CNc1nc(C)ccc1[N+](=O)[O-] ZINC000127802363 383958789 /nfs/dbraw/zinc/95/87/89/383958789.db2.gz DHWZRCUDDNLHFG-UHFFFAOYSA-N 0 0 239.275 2.135 20 5 BEBDRN O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC12CC2 ZINC000335055258 384015184 /nfs/dbraw/zinc/01/51/84/384015184.db2.gz GMUKXJDJOUATAG-JTQLQIEISA-N 0 0 247.254 2.269 20 5 BEBDRN CCC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1F ZINC000158620196 384053954 /nfs/dbraw/zinc/05/39/54/384053954.db2.gz VWXOAROGIGEMIS-SECBINFHSA-N 0 0 242.250 2.307 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1CCC[C@H]1C1CC1 ZINC000361815829 384073600 /nfs/dbraw/zinc/07/36/00/384073600.db2.gz TYYCIRBOGVVWAT-JTQLQIEISA-N 0 0 233.271 2.369 20 5 BEBDRN O=[N+]([O-])c1cnccc1SC[C@@H]1CCCO1 ZINC000339994757 384073789 /nfs/dbraw/zinc/07/37/89/384073789.db2.gz LHUWNIMQAZJOQH-QMMMGPOBSA-N 0 0 240.284 2.261 20 5 BEBDRN O=[N+]([O-])c1cccnc1N1C[C@H]2CCC[C@@H]2C1 ZINC000268261303 384149917 /nfs/dbraw/zinc/14/99/17/384149917.db2.gz RKPBMYLHWHQJKT-NXEZZACHSA-N 0 0 233.271 2.226 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]2C)c1 ZINC000336231845 384170986 /nfs/dbraw/zinc/17/09/86/384170986.db2.gz BSAZBLCCCPPGGF-MWLCHTKSSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1ccc(OCCC[C@H](C)O)cc1[N+](=O)[O-] ZINC000310501243 384181556 /nfs/dbraw/zinc/18/15/56/384181556.db2.gz JIVBBGQSMHQLGM-JTQLQIEISA-N 0 0 239.271 2.443 20 5 BEBDRN COC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000135230042 384187887 /nfs/dbraw/zinc/18/78/87/384187887.db2.gz JECRSVXYYHYCGM-UHFFFAOYSA-N 0 0 238.287 2.109 20 5 BEBDRN CCO[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC000579191602 384196496 /nfs/dbraw/zinc/19/64/96/384196496.db2.gz BRUFMWNIYNNEIZ-GHMZBOCLSA-N 0 0 240.234 2.323 20 5 BEBDRN COC[C@H](C)Oc1cc([N+](=O)[O-])ccc1OC ZINC000177669082 384199884 /nfs/dbraw/zinc/19/98/84/384199884.db2.gz MPPPEUUTSHZPHK-QMMMGPOBSA-N 0 0 241.243 2.017 20 5 BEBDRN CC(C)C[C@@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000042288101 384212225 /nfs/dbraw/zinc/21/22/25/384212225.db2.gz RBNKGUQRVGHWCE-JTQLQIEISA-N 0 0 238.287 2.414 20 5 BEBDRN CCN(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000490574850 384222994 /nfs/dbraw/zinc/22/29/94/384222994.db2.gz GDUJACPKPDJKBD-FPLPWBNLSA-N 0 0 234.255 2.086 20 5 BEBDRN CC(C)C(=O)Oc1cc(F)cc([N+](=O)[O-])c1 ZINC000132401691 384229041 /nfs/dbraw/zinc/22/90/41/384229041.db2.gz UPLZLHXIUASSND-UHFFFAOYSA-N 0 0 227.191 2.295 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(NC2CC2)n1 ZINC000336744712 384262302 /nfs/dbraw/zinc/26/23/02/384262302.db2.gz ZVUCWKJVPRKNQN-UHFFFAOYSA-N 0 0 207.233 2.181 20 5 BEBDRN CO[C@@H](C)CN(C)c1c(F)cccc1[N+](=O)[O-] ZINC000286300403 384265116 /nfs/dbraw/zinc/26/51/16/384265116.db2.gz HHKFFKMJCYVRAX-QMMMGPOBSA-N 0 0 242.250 2.205 20 5 BEBDRN CS[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000159242036 384315001 /nfs/dbraw/zinc/31/50/01/384315001.db2.gz RIHYLXLLZJIZTJ-QMMMGPOBSA-N 0 0 241.316 2.462 20 5 BEBDRN Nc1c([N+](=O)[O-])cnn1CCCc1ccccc1 ZINC000061624438 384338316 /nfs/dbraw/zinc/33/83/16/384338316.db2.gz HUHVANBGDSHXPK-UHFFFAOYSA-N 0 0 246.270 2.006 20 5 BEBDRN CC(C)=CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000359076531 384373449 /nfs/dbraw/zinc/37/34/49/384373449.db2.gz BSLDSVUBLBOMBK-UHFFFAOYSA-N 0 0 237.259 2.009 20 5 BEBDRN CC[C@@H](O)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000229993976 384346082 /nfs/dbraw/zinc/34/60/82/384346082.db2.gz AYUKTXREUNAXBN-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN CCC[C@@H](O)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000134547673 384349352 /nfs/dbraw/zinc/34/93/52/384349352.db2.gz ZKWJHPUNVKPQBM-LLVKDONJSA-N 0 0 238.287 2.476 20 5 BEBDRN Cc1cc(C(=O)N[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000015133211 384422656 /nfs/dbraw/zinc/42/26/56/384422656.db2.gz RKVMVXMQNRGEEY-VIFPVBQESA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(Nc2cn[nH]c2)n1 ZINC000359084979 384376111 /nfs/dbraw/zinc/37/61/11/384376111.db2.gz SFVBGJHANGRMFF-UHFFFAOYSA-N 0 0 233.231 2.073 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCC23CCC3)nc1 ZINC000359771506 384429422 /nfs/dbraw/zinc/42/94/22/384429422.db2.gz XOXLYUPTNMTMTF-UHFFFAOYSA-N 0 0 219.244 2.123 20 5 BEBDRN Nc1c(F)c(NCCCCF)ccc1[N+](=O)[O-] ZINC000359965925 384475212 /nfs/dbraw/zinc/47/52/12/384475212.db2.gz HLTYBUUROAKOSC-UHFFFAOYSA-N 0 0 245.229 2.478 20 5 BEBDRN O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCOC1 ZINC000070966112 384484130 /nfs/dbraw/zinc/48/41/30/384484130.db2.gz IZCLXQGTEGLWAT-QMMMGPOBSA-N 0 0 242.662 2.449 20 5 BEBDRN O=[N+]([O-])c1ccc(CNc2ccon2)cc1 ZINC000083349611 384499369 /nfs/dbraw/zinc/49/93/69/384499369.db2.gz SZELBRMSUXOWFV-UHFFFAOYSA-N 0 0 219.200 2.195 20 5 BEBDRN CCCC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000060848042 384521643 /nfs/dbraw/zinc/52/16/43/384521643.db2.gz MSNHWRGSKBHPAU-UHFFFAOYSA-N 0 0 222.244 2.358 20 5 BEBDRN Cc1ccn(CCCCCF)c(=O)c1[N+](=O)[O-] ZINC000340696634 384541907 /nfs/dbraw/zinc/54/19/07/384541907.db2.gz VDWSCLIYABPZIR-UHFFFAOYSA-N 0 0 242.250 2.205 20 5 BEBDRN CC[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1 ZINC000082687872 384545354 /nfs/dbraw/zinc/54/53/54/384545354.db2.gz VDRHXADKRSLXDU-NSHDSACASA-N 0 0 224.260 2.168 20 5 BEBDRN O=[N+]([O-])c1cc2c(ncnc2NC2CC2)s1 ZINC000287097557 384551035 /nfs/dbraw/zinc/55/10/35/384551035.db2.gz VCGGLIFAHIORQC-UHFFFAOYSA-N 0 0 236.256 2.174 20 5 BEBDRN CCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000248007687 384572602 /nfs/dbraw/zinc/57/26/02/384572602.db2.gz OWHDHLDGGQYBJY-UHFFFAOYSA-N 0 0 242.662 2.340 20 5 BEBDRN O=[N+]([O-])c1cccnc1SCc1ncccn1 ZINC000187908375 384598183 /nfs/dbraw/zinc/59/81/83/384598183.db2.gz KXCQZXCWHWQOQV-UHFFFAOYSA-N 0 0 248.267 2.072 20 5 BEBDRN O=[N+]([O-])c1ccc(Cn2ccnc2)c(Cl)c1 ZINC000104291805 384668092 /nfs/dbraw/zinc/66/80/92/384668092.db2.gz BBKQRTBYEIDUFY-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000033286929 384668473 /nfs/dbraw/zinc/66/84/73/384668473.db2.gz DXRDBEPLCGUYCF-YVMONPNESA-N 0 0 246.266 2.230 20 5 BEBDRN CC[C@H](CO)Nc1c(C)cccc1[N+](=O)[O-] ZINC000123385415 384644938 /nfs/dbraw/zinc/64/49/38/384644938.db2.gz VTDASERNQYDDBW-SECBINFHSA-N 0 0 224.260 2.086 20 5 BEBDRN CCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000100862714 384657090 /nfs/dbraw/zinc/65/70/90/384657090.db2.gz WEGPFWIABHFPOM-UHFFFAOYSA-N 0 0 247.254 2.488 20 5 BEBDRN Cc1ccncc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000104451269 384688993 /nfs/dbraw/zinc/68/89/93/384688993.db2.gz NWAYFNQYYCKXHN-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN Cc1ccc(OCc2ncccn2)cc1[N+](=O)[O-] ZINC000188130877 384817128 /nfs/dbraw/zinc/81/71/28/384817128.db2.gz RCWGEGAXFUKFFO-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(S[C@H](C)[C@H](C)O)n1 ZINC000178242699 384818200 /nfs/dbraw/zinc/81/82/00/384818200.db2.gz BXLINAKVHOIIFX-JGVFFNPUSA-N 0 0 242.300 2.160 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1OCc1ncccn1 ZINC000188186998 384830140 /nfs/dbraw/zinc/83/01/40/384830140.db2.gz GPFPSYSMTUSXMU-UHFFFAOYSA-N 0 0 249.201 2.103 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@H]1C[C@H]1C1CC1 ZINC000309519181 384851230 /nfs/dbraw/zinc/85/12/30/384851230.db2.gz STXOECNRHMSFHA-DTWKUNHWSA-N 0 0 219.244 2.200 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCC2CC(O)C2)cc1 ZINC000432858710 384897681 /nfs/dbraw/zinc/89/76/81/384897681.db2.gz KSDBGYUIHYUNDQ-UHFFFAOYSA-N 0 0 236.271 2.168 20 5 BEBDRN Cc1cc(C)cc(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000071978655 384908070 /nfs/dbraw/zinc/90/80/70/384908070.db2.gz NGEGILOFRUBOEF-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CC[C@H]1C[C@@H]1Nc1c([N+](=O)[O-])nc(C)n1CC ZINC000310079880 384913599 /nfs/dbraw/zinc/91/35/99/384913599.db2.gz CIDJEJAISHIHTE-IUCAKERBSA-N 0 0 238.291 2.330 20 5 BEBDRN O=[N+]([O-])c1cc(F)cc(OCCCF)c1 ZINC000135352302 384934192 /nfs/dbraw/zinc/93/41/92/384934192.db2.gz JIUMJIMLXDDTIO-UHFFFAOYSA-N 0 0 217.171 2.472 20 5 BEBDRN O=[N+]([O-])c1ccsc1NC[C@@H]1CCC[C@H]1O ZINC000301928069 384944948 /nfs/dbraw/zinc/94/49/48/384944948.db2.gz INQNQRVXFNVLAF-IONNQARKSA-N 0 0 242.300 2.229 20 5 BEBDRN CO[C@@H](C)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000227540524 384969555 /nfs/dbraw/zinc/96/95/55/384969555.db2.gz NVCINACMABXWAV-LURJTMIESA-N 0 0 245.666 2.090 20 5 BEBDRN O=[N+]([O-])c1ccc(NC2CCSCC2)nc1 ZINC000136351037 385029379 /nfs/dbraw/zinc/02/93/79/385029379.db2.gz NQBZVCFESRHJMD-UHFFFAOYSA-N 0 0 239.300 2.297 20 5 BEBDRN O=[N+]([O-])c1ccc(CCSCCCO)cc1 ZINC000085163920 385034545 /nfs/dbraw/zinc/03/45/45/385034545.db2.gz PHBMORLQKJMGDY-UHFFFAOYSA-N 0 0 241.312 2.253 20 5 BEBDRN Cc1cnc(SC[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000085426940 385176423 /nfs/dbraw/zinc/17/64/23/385176423.db2.gz VUTMPKKMIXPGGY-QMMMGPOBSA-N 0 0 242.300 2.019 20 5 BEBDRN Cc1cnc(NC2CCC2)c([N+](=O)[O-])c1 ZINC000085426884 385177379 /nfs/dbraw/zinc/17/73/79/385177379.db2.gz RJWDCUQJORFVQK-UHFFFAOYSA-N 0 0 207.233 2.263 20 5 BEBDRN CC[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000152814739 385217043 /nfs/dbraw/zinc/21/70/43/385217043.db2.gz FGOQKLFFTOMSIK-VIFPVBQESA-N 0 0 221.260 2.226 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1NCCCCCO ZINC000287662219 385217334 /nfs/dbraw/zinc/21/73/34/385217334.db2.gz IOPSTNCTZXCGJO-UHFFFAOYSA-N 0 0 242.250 2.308 20 5 BEBDRN CO[C@H](C)CCNc1ccc(N)cc1[N+](=O)[O-] ZINC000287936706 385249885 /nfs/dbraw/zinc/24/98/85/385249885.db2.gz PSILYFITXLZMGC-MRVPVSSYSA-N 0 0 239.275 2.014 20 5 BEBDRN C[C@@H](Cn1cnc([N+](=O)[O-])n1)C1CCCCC1 ZINC000338546191 385255742 /nfs/dbraw/zinc/25/57/42/385255742.db2.gz KRQXKBMNBYFOBX-VIFPVBQESA-N 0 0 238.291 2.403 20 5 BEBDRN CCCCN(C)c1c([N+](=O)[O-])nc(C)n1CC ZINC000288041973 385260193 /nfs/dbraw/zinc/26/01/93/385260193.db2.gz DOLYUKQEAAMKOV-UHFFFAOYSA-N 0 0 240.307 2.356 20 5 BEBDRN C[C@H](F)CCNc1ncccc1[N+](=O)[O-] ZINC000338751624 385274695 /nfs/dbraw/zinc/27/46/95/385274695.db2.gz OKNFDVOYPVNXSM-ZETCQYMHSA-N 0 0 213.212 2.150 20 5 BEBDRN C[C@@H](F)CCNc1ccc([N+](=O)[O-])nc1 ZINC000338756061 385278959 /nfs/dbraw/zinc/27/89/59/385278959.db2.gz PUDXWDVMLSESOH-SSDOTTSWSA-N 0 0 213.212 2.150 20 5 BEBDRN CC[C@@H](CNc1nc(C)ccc1[N+](=O)[O-])OC ZINC000290687211 385521738 /nfs/dbraw/zinc/52/17/38/385521738.db2.gz MADNTUGTGHOMDY-VIFPVBQESA-N 0 0 239.275 2.135 20 5 BEBDRN CCOCCOc1ccc(C)c([N+](=O)[O-])c1 ZINC000181728906 385563847 /nfs/dbraw/zinc/56/38/47/385563847.db2.gz BNJCBNQCBYERBT-UHFFFAOYSA-N 0 0 225.244 2.319 20 5 BEBDRN Cc1nn([C@H]2C[C@@H](C)CCC2=O)cc1[N+](=O)[O-] ZINC000450960005 385600673 /nfs/dbraw/zinc/60/06/73/385600673.db2.gz OAXLALJWCJCMIZ-CBAPKCEASA-N 0 0 237.259 2.030 20 5 BEBDRN CC(C)C[C@@H](C)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000280970319 385623490 /nfs/dbraw/zinc/62/34/90/385623490.db2.gz KVHWXGXMKVGSKG-SNVBAGLBSA-N 0 0 238.287 2.439 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072673043 385628071 /nfs/dbraw/zinc/62/80/71/385628071.db2.gz PIULLECMZDLMDE-KWQFWETISA-N 0 0 234.255 2.214 20 5 BEBDRN CCCC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000063447027 385633456 /nfs/dbraw/zinc/63/34/56/385633456.db2.gz MJOUPPZFJPVETQ-UHFFFAOYSA-N 0 0 226.207 2.473 20 5 BEBDRN CC[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000131660409 385635123 /nfs/dbraw/zinc/63/51/23/385635123.db2.gz AMAKVCFJFZXOSI-JTQLQIEISA-N 0 0 248.282 2.467 20 5 BEBDRN CO[C@@H](CNc1ccccc1[N+](=O)[O-])C1CC1 ZINC000292664795 385709935 /nfs/dbraw/zinc/70/99/35/385709935.db2.gz CSVQYCKNWGLYBH-LBPRGKRZSA-N 0 0 236.271 2.432 20 5 BEBDRN C[C@@H]1CCC[C@H](Cn2cnc([N+](=O)[O-])n2)C1 ZINC000185524003 385730866 /nfs/dbraw/zinc/73/08/66/385730866.db2.gz HMDBODMAIQIIBW-BDAKNGLRSA-N 0 0 224.264 2.013 20 5 BEBDRN Cc1nnc([C@@H](C)Nc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000343948531 385736425 /nfs/dbraw/zinc/73/64/25/385736425.db2.gz HKAXOIICYKMTMF-SSDOTTSWSA-N 0 0 247.258 2.194 20 5 BEBDRN O=[N+]([O-])c1cccc2c1CCN2Cc1ccon1 ZINC000183619849 385779151 /nfs/dbraw/zinc/77/91/51/385779151.db2.gz GTCZBKTUTVSFME-UHFFFAOYSA-N 0 0 245.238 2.146 20 5 BEBDRN CCC1(C)CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000292751970 385721835 /nfs/dbraw/zinc/72/18/35/385721835.db2.gz HQJGEFLYVDEMJG-UHFFFAOYSA-N 0 0 238.243 2.060 20 5 BEBDRN Cc1ncc(CNc2nccc(C)c2[N+](=O)[O-])o1 ZINC000397891481 385726774 /nfs/dbraw/zinc/72/67/74/385726774.db2.gz MPRPINZFVAAAKV-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CC[C@@](C)(CNc1ncccc1[N+](=O)[O-])OC ZINC000322515263 385814600 /nfs/dbraw/zinc/81/46/00/385814600.db2.gz BIFPKIAXCSGUHF-NSHDSACASA-N 0 0 239.275 2.217 20 5 BEBDRN Cc1cnc([C@@H](C)n2cc([N+](=O)[O-])c(C)n2)o1 ZINC000332694941 385902316 /nfs/dbraw/zinc/90/23/16/385902316.db2.gz VVZSFHXGSWNROX-MRVPVSSYSA-N 0 0 236.231 2.005 20 5 BEBDRN CC[C@@H](C)Cn1cc([N+](=O)[O-])c(C)cc1=O ZINC000128659590 385867319 /nfs/dbraw/zinc/86/73/19/385867319.db2.gz JVMZVHYPOVHFGR-MRVPVSSYSA-N 0 0 224.260 2.111 20 5 BEBDRN C[C@]1(Nc2ccc([N+](=O)[O-])cc2F)CCOC1 ZINC000159997175 385867532 /nfs/dbraw/zinc/86/75/32/385867532.db2.gz NZJUWYAFCMLHPR-NSHDSACASA-N 0 0 240.234 2.325 20 5 BEBDRN O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000086962760 385972933 /nfs/dbraw/zinc/97/29/33/385972933.db2.gz GZQFNLBNZLIXIE-UHFFFAOYSA-N 0 0 248.282 2.150 20 5 BEBDRN Cc1cn(CC2CC(F)(F)C2)nc1[N+](=O)[O-] ZINC000334949185 386021878 /nfs/dbraw/zinc/02/18/78/386021878.db2.gz DTBWEDUFZPOPIE-UHFFFAOYSA-N 0 0 231.202 2.145 20 5 BEBDRN O=C(Oc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(F)F ZINC000294299723 386078518 /nfs/dbraw/zinc/07/85/18/386078518.db2.gz GJLBJMJAHGCODR-QMMMGPOBSA-N 0 0 243.165 2.155 20 5 BEBDRN O=[N+]([O-])c1cnc(N2CC[C@@H](CC3CC3)C2)nc1 ZINC000338813648 386151903 /nfs/dbraw/zinc/15/19/03/386151903.db2.gz VZIGFGCXKCLUCB-JTQLQIEISA-N 0 0 248.286 2.011 20 5 BEBDRN COC(=O)[C@H](C)Sc1ccccc1[N+](=O)[O-] ZINC000052928171 386364792 /nfs/dbraw/zinc/36/47/92/386364792.db2.gz GKXFBDSLSNGKEV-ZETCQYMHSA-N 0 0 241.268 2.248 20 5 BEBDRN CC(F)(F)CCNc1ncccc1[N+](=O)[O-] ZINC000294098988 386365111 /nfs/dbraw/zinc/36/51/11/386365111.db2.gz BSGWRVMNIHAPKQ-UHFFFAOYSA-N 0 0 231.202 2.447 20 5 BEBDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCC1CC1 ZINC000087049648 386426917 /nfs/dbraw/zinc/42/69/17/386426917.db2.gz QNNYHRMWPADOIE-UHFFFAOYSA-N 0 0 248.282 2.054 20 5 BEBDRN C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000294148982 386433276 /nfs/dbraw/zinc/43/32/76/386433276.db2.gz OPNTTYDPGJIWIX-ZJUUUORDSA-N 0 0 248.282 2.004 20 5 BEBDRN O=[N+]([O-])c1ccccc1Nc1c[nH]cn1 ZINC000572704310 386434011 /nfs/dbraw/zinc/43/40/11/386434011.db2.gz LKTPONLJOZCYOJ-UHFFFAOYSA-N 0 0 204.189 2.062 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC(C)C2)c1 ZINC000267722068 386511110 /nfs/dbraw/zinc/51/11/10/386511110.db2.gz FGDVJNGBNCAALE-UHFFFAOYSA-N 0 0 248.282 2.432 20 5 BEBDRN CCN(c1cc(C)ccc1[N+](=O)[O-])C1COC1 ZINC000450645353 386586844 /nfs/dbraw/zinc/58/68/44/386586844.db2.gz CLAZMFSXLUAJPD-UHFFFAOYSA-N 0 0 236.271 2.128 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NCC1=CCCCC1 ZINC000294924222 386677924 /nfs/dbraw/zinc/67/79/24/386677924.db2.gz KCKZRLJQZMHQCJ-UHFFFAOYSA-N 0 0 236.275 2.241 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC1(CF)CCC1 ZINC000519829399 386682039 /nfs/dbraw/zinc/68/20/39/386682039.db2.gz ZQLQNAYPZBBATO-UHFFFAOYSA-N 0 0 225.223 2.294 20 5 BEBDRN Cc1cc(C(=O)NCC2(C)CC2)ccc1[N+](=O)[O-] ZINC000357212592 386739677 /nfs/dbraw/zinc/73/96/77/386739677.db2.gz XTTKZXFVIXLORH-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN C[C@@H]1CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000356748036 386742615 /nfs/dbraw/zinc/74/26/15/386742615.db2.gz NHKBBWIBWDAMAU-KOLCDFICSA-N 0 0 248.282 2.052 20 5 BEBDRN C[C@@H]1CC[C@H](C)N1c1ncc([N+](=O)[O-])s1 ZINC000192486801 386774002 /nfs/dbraw/zinc/77/40/02/386774002.db2.gz WIJWMTPHVGGBJB-KNVOCYPGSA-N 0 0 227.289 2.429 20 5 BEBDRN Cc1ccc(NCCCCO)c([N+](=O)[O-])c1 ZINC000168656534 386812722 /nfs/dbraw/zinc/81/27/22/386812722.db2.gz GPJRBQMKYCUTLL-UHFFFAOYSA-N 0 0 224.260 2.088 20 5 BEBDRN CCCCN(c1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000268587135 387057849 /nfs/dbraw/zinc/05/78/49/387057849.db2.gz LYKAXOILQSCYGL-UHFFFAOYSA-N 0 0 238.291 2.097 20 5 BEBDRN O=[N+]([O-])c1cn(Cc2ccccn2)nc1C1CC1 ZINC000185166958 387010167 /nfs/dbraw/zinc/01/01/67/387010167.db2.gz VSTUVQQXJXYIDD-UHFFFAOYSA-N 0 0 244.254 2.112 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1NCCCC(C)(F)F ZINC000294992187 387015203 /nfs/dbraw/zinc/01/52/03/387015203.db2.gz QTQOJOACTIEFNX-UHFFFAOYSA-N 0 0 248.233 2.176 20 5 BEBDRN C[C@@H](CO)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000088389680 387022867 /nfs/dbraw/zinc/02/28/67/387022867.db2.gz NSBILYCDCNFVNN-SSDOTTSWSA-N 0 0 244.678 2.289 20 5 BEBDRN O=[N+]([O-])c1ccccc1NC[C@@H]1CCC[C@H]1O ZINC000089166889 387181245 /nfs/dbraw/zinc/18/12/45/387181245.db2.gz XPJJQRVCBDLFQS-JOYOIKCWSA-N 0 0 236.271 2.168 20 5 BEBDRN C[C@H](CO)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000228417559 387209422 /nfs/dbraw/zinc/20/94/22/387209422.db2.gz SZWYLDQQOAFDSH-ZETCQYMHSA-N 0 0 244.678 2.289 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1-c1nc(N(C)C)no1 ZINC000269303455 387269149 /nfs/dbraw/zinc/26/91/49/387269149.db2.gz SNZQUXPXSGBVJG-UHFFFAOYSA-N 0 0 248.242 2.019 20 5 BEBDRN C[C@@H](CCCO)Nc1cccc(F)c1[N+](=O)[O-] ZINC000088503724 387293075 /nfs/dbraw/zinc/29/30/75/387293075.db2.gz WYDKDIRUFNVQMB-QMMMGPOBSA-N 0 0 242.250 2.307 20 5 BEBDRN Cc1ccc(N[C@@H]2C=C[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000269960069 387295641 /nfs/dbraw/zinc/29/56/41/387295641.db2.gz UXTZWZUAWJELQA-WDEREUQCSA-N 0 0 248.282 2.252 20 5 BEBDRN Cc1c(CNC(=O)CC2CC2)cccc1[N+](=O)[O-] ZINC000360531501 387305168 /nfs/dbraw/zinc/30/51/68/387305168.db2.gz XSPXOJLVUMJJAB-UHFFFAOYSA-N 0 0 248.282 2.320 20 5 BEBDRN CCN(CC1CC1)c1ncc([N+](=O)[O-])s1 ZINC000192453795 387369186 /nfs/dbraw/zinc/36/91/86/387369186.db2.gz GZPGVTCGZRKFSF-UHFFFAOYSA-N 0 0 227.289 2.288 20 5 BEBDRN CC[C@@H](F)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000440599930 387372413 /nfs/dbraw/zinc/37/24/13/387372413.db2.gz QQYFNCLROQXYAH-ZCFIWIBFSA-N 0 0 248.641 2.158 20 5 BEBDRN CC[C@@H](F)COc1ncc(C)cc1[N+](=O)[O-] ZINC000440594431 387372531 /nfs/dbraw/zinc/37/25/31/387372531.db2.gz CCPMRJJPKXKQAV-MRVPVSSYSA-N 0 0 228.223 2.425 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]2C)n1 ZINC000088036158 387525963 /nfs/dbraw/zinc/52/59/63/387525963.db2.gz YXRDQDWQYNYFNO-HTRCEHHLSA-N 0 0 207.233 2.119 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2C(F)F)nc1 ZINC000348217183 387529152 /nfs/dbraw/zinc/52/91/52/387529152.db2.gz JDWQOGWINTZMHF-BQBZGAKWSA-N 0 0 229.186 2.055 20 5 BEBDRN CCC1(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295899375 387482569 /nfs/dbraw/zinc/48/25/69/387482569.db2.gz NGCLOXYPPUBACW-UHFFFAOYSA-N 0 0 234.255 2.267 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N(C)CC[C@@H](C)O)c1 ZINC000088725935 387654234 /nfs/dbraw/zinc/65/42/34/387654234.db2.gz LQIZWSDKWGEYPK-SNVBAGLBSA-N 0 0 238.287 2.110 20 5 BEBDRN Cc1cc(C)c([N+](=O)[O-])c(OCCCF)n1 ZINC000354541585 177877029 /nfs/dbraw/zinc/87/70/29/177877029.db2.gz JOLWVXCIOFQMPU-UHFFFAOYSA-N 0 0 228.223 2.345 20 5 BEBDRN O=[N+]([O-])c1ccc(NC[C@@H]2CC[C@@H](O)C2)cc1 ZINC000236536829 387894751 /nfs/dbraw/zinc/89/47/51/387894751.db2.gz UCAPOHMTTOTNEV-BXKDBHETSA-N 0 0 236.271 2.168 20 5 BEBDRN CCCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000026938643 387910371 /nfs/dbraw/zinc/91/03/71/387910371.db2.gz MERLYYAWQAODHU-UHFFFAOYSA-N 0 0 228.273 2.186 20 5 BEBDRN CC(C)CNc1ncc([N+](=O)[O-])cc1F ZINC000591136797 388132519 /nfs/dbraw/zinc/13/25/19/388132519.db2.gz KFIYOPOKSOSBSO-UHFFFAOYSA-N 0 0 213.212 2.197 20 5 BEBDRN C[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000139015407 388259563 /nfs/dbraw/zinc/25/95/63/388259563.db2.gz IKNLEZHHCFCPPQ-SECBINFHSA-N 0 0 246.270 2.169 20 5 BEBDRN CN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000491320559 388349668 /nfs/dbraw/zinc/34/96/68/388349668.db2.gz NHGVVTBYTKHJEN-YVMONPNESA-N 0 0 246.266 2.229 20 5 BEBDRN C[C@@H]1C[C@H]1CC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000352472348 388360461 /nfs/dbraw/zinc/36/04/61/388360461.db2.gz CBMRLKXYZJAYGB-KOLCDFICSA-N 0 0 248.282 2.257 20 5 BEBDRN COc1nn(C)cc1Nc1ccc([N+](=O)[O-])cc1 ZINC000352583519 388361660 /nfs/dbraw/zinc/36/16/60/388361660.db2.gz LDNAFBUFSSZYAL-UHFFFAOYSA-N 0 0 248.242 2.081 20 5 BEBDRN CO[C@H](C)CNc1ncc([N+](=O)[O-])cc1Cl ZINC000227540529 388366253 /nfs/dbraw/zinc/36/62/53/388366253.db2.gz NVCINACMABXWAV-ZCFIWIBFSA-N 0 0 245.666 2.090 20 5 BEBDRN Cc1ccc(NC(=O)N[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000076032859 388370144 /nfs/dbraw/zinc/37/01/44/388370144.db2.gz XLBLUWRQGNXJDU-PSASIEDQSA-N 0 0 249.270 2.433 20 5 BEBDRN CN(CC(F)F)c1ccccc1[N+](=O)[O-] ZINC000354094901 388377206 /nfs/dbraw/zinc/37/72/06/388377206.db2.gz XGGHBAHJGVEDDS-UHFFFAOYSA-N 0 0 216.187 2.296 20 5 BEBDRN O=[N+]([O-])c1cccnc1NC[C@H]1CCSC1 ZINC000228583328 388385362 /nfs/dbraw/zinc/38/53/62/388385362.db2.gz HTRGVYNJPXUVHX-MRVPVSSYSA-N 0 0 239.300 2.155 20 5 BEBDRN Cc1c(C(=O)NCC2(C)CC2)cccc1[N+](=O)[O-] ZINC000357253194 388391861 /nfs/dbraw/zinc/39/18/61/388391861.db2.gz TUPKWNXYAQWZBU-UHFFFAOYSA-N 0 0 248.282 2.433 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2ccc(F)cn2)cn1 ZINC000357167675 388392198 /nfs/dbraw/zinc/39/21/98/388392198.db2.gz JKEQQKYVBVIUEE-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN Cc1ccc(OCc2ccon2)c([N+](=O)[O-])c1 ZINC000357640051 388394439 /nfs/dbraw/zinc/39/44/39/388394439.db2.gz NDFOCROTXNEFJB-UHFFFAOYSA-N 0 0 234.211 2.470 20 5 BEBDRN C[C@@H](NC(=O)NC1CC1)c1ccccc1[N+](=O)[O-] ZINC000271619529 388395465 /nfs/dbraw/zinc/39/54/65/388395465.db2.gz MKXYVXPFQVNPIY-MRVPVSSYSA-N 0 0 249.270 2.117 20 5 BEBDRN CO[C@@H]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)C1 ZINC000193850844 388467331 /nfs/dbraw/zinc/46/73/31/388467331.db2.gz AQBGPGLBCJQGPZ-NKWVEPMBSA-N 0 0 243.288 2.031 20 5 BEBDRN O=[N+]([O-])c1ccc(NCc2ccco2)cn1 ZINC000054613556 388427971 /nfs/dbraw/zinc/42/79/71/388427971.db2.gz DMFWNBSZNFOQNG-UHFFFAOYSA-N 0 0 219.200 2.195 20 5 BEBDRN CSCCN(C)c1ccccc1[N+](=O)[O-] ZINC000301559251 388595931 /nfs/dbraw/zinc/59/59/31/388595931.db2.gz JSNBSFNLQDGNOL-UHFFFAOYSA-N 0 0 226.301 2.394 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@]2(CCOC2)C1 ZINC000301609297 388598690 /nfs/dbraw/zinc/59/86/90/388598690.db2.gz PMTWQDSCUHWTBO-ZDUSSCGKSA-N 0 0 248.282 2.212 20 5 BEBDRN Cc1nnc(CNc2cc([N+](=O)[O-])ccc2C)o1 ZINC000297476186 388617723 /nfs/dbraw/zinc/61/77/23/388617723.db2.gz OGCAHDWFVGJUBZ-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN CON(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000298204820 388577197 /nfs/dbraw/zinc/57/71/97/388577197.db2.gz NTWRJXXSIDYMOU-UHFFFAOYSA-N 0 0 216.624 2.246 20 5 BEBDRN C[C@H](NCc1c[nH]cn1)c1cccc([N+](=O)[O-])c1 ZINC000054765050 388584647 /nfs/dbraw/zinc/58/46/47/388584647.db2.gz NMWFLACWFOKWGT-VIFPVBQESA-N 0 0 246.270 2.169 20 5 BEBDRN CN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000298846224 388671327 /nfs/dbraw/zinc/67/13/27/388671327.db2.gz GOXUPOVEDTVNEP-UHFFFAOYSA-N 0 0 240.284 2.138 20 5 BEBDRN CO[C@H](CC(C)C)Cn1c(C)ncc1[N+](=O)[O-] ZINC000416917771 388672121 /nfs/dbraw/zinc/67/21/21/388672121.db2.gz RGOZYZODAJASDJ-SNVBAGLBSA-N 0 0 241.291 2.161 20 5 BEBDRN CC[C@H](COc1ccc([N+](=O)[O-])cc1)OC ZINC000416890510 388672161 /nfs/dbraw/zinc/67/21/61/388672161.db2.gz STLQUDZJHBLPSP-SNVBAGLBSA-N 0 0 225.244 2.399 20 5 BEBDRN CC(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000113419004 388674943 /nfs/dbraw/zinc/67/49/43/388674943.db2.gz LHLLTFZQPAFXJC-UHFFFAOYSA-N 0 0 241.218 2.338 20 5 BEBDRN O=[N+]([O-])c1cnccc1NCc1cscn1 ZINC000066811380 388686470 /nfs/dbraw/zinc/68/64/70/388686470.db2.gz GFXGBBXVLKVRIT-UHFFFAOYSA-N 0 0 236.256 2.058 20 5 BEBDRN Cc1ccc(C(=O)N[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000299072814 388686539 /nfs/dbraw/zinc/68/65/39/388686539.db2.gz QQQUUZRLPGFLBY-LLVKDONJSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1ccnc(S[C@@H](C)[C@@H](C)O)c1[N+](=O)[O-] ZINC000078582412 388683024 /nfs/dbraw/zinc/68/30/24/388683024.db2.gz XPOHNMSBDBUOBI-SFYZADRCSA-N 0 0 242.300 2.160 20 5 BEBDRN C[C@@H](C1CC1)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000554162124 388620795 /nfs/dbraw/zinc/62/07/95/388620795.db2.gz DRXRYUOJVFQZNA-QMMMGPOBSA-N 0 0 221.260 2.225 20 5 BEBDRN CC(C)N(C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000078728816 388684498 /nfs/dbraw/zinc/68/44/98/388684498.db2.gz UBOJNMNLEIYKEY-UHFFFAOYSA-N 0 0 236.271 2.004 20 5 BEBDRN CC(C)[C@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000091484270 388631095 /nfs/dbraw/zinc/63/10/95/388631095.db2.gz CVSZAILTDGJOEN-LLVKDONJSA-N 0 0 224.260 2.024 20 5 BEBDRN Cc1nc(Cc2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000274057505 388641329 /nfs/dbraw/zinc/64/13/29/388641329.db2.gz VRLFNSQKRSAVAH-UHFFFAOYSA-N 0 0 233.227 2.185 20 5 BEBDRN Cc1ccnc(CNc2ccncc2[N+](=O)[O-])c1 ZINC000327957635 388734088 /nfs/dbraw/zinc/73/40/88/388734088.db2.gz BSTRIFVTYADAIV-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN CCN(CC(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000092970581 388738114 /nfs/dbraw/zinc/73/81/14/388738114.db2.gz YPXJHMKLTJTFSP-UHFFFAOYSA-N 0 0 238.287 2.192 20 5 BEBDRN Cc1ccc(N(C)CC(C)(C)O)c([N+](=O)[O-])c1 ZINC000092970068 388738422 /nfs/dbraw/zinc/73/84/22/388738422.db2.gz JVTZJCSWVUEQNJ-UHFFFAOYSA-N 0 0 238.287 2.110 20 5 BEBDRN CC(=O)[C@H](C)CSc1ccc([N+](=O)[O-])cn1 ZINC000448109215 388739575 /nfs/dbraw/zinc/73/95/75/388739575.db2.gz UEJGHJRCPSNUHR-SSDOTTSWSA-N 0 0 240.284 2.307 20 5 BEBDRN CSC[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000124738660 388755431 /nfs/dbraw/zinc/75/54/31/388755431.db2.gz YDBFLYFTHPYJCQ-ZETCQYMHSA-N 0 0 227.289 2.153 20 5 BEBDRN CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000299091241 388692220 /nfs/dbraw/zinc/69/22/20/388692220.db2.gz IEOKBWNDGCFWKZ-UHFFFAOYSA-N 0 0 242.300 2.432 20 5 BEBDRN O=[N+]([O-])c1cnn(Cc2cccc(F)c2F)c1 ZINC000067799822 388701305 /nfs/dbraw/zinc/70/13/05/388701305.db2.gz QZVZHKMNUCBFQQ-UHFFFAOYSA-N 0 0 239.181 2.118 20 5 BEBDRN CC(C)[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000080789726 388713632 /nfs/dbraw/zinc/71/36/32/388713632.db2.gz HAVJCEZZYNYDDZ-LLVKDONJSA-N 0 0 242.250 2.163 20 5 BEBDRN CCOCCOc1cc([N+](=O)[O-])ccc1OC ZINC000069450181 388722599 /nfs/dbraw/zinc/72/25/99/388722599.db2.gz UPLDEAJQTRTJRM-UHFFFAOYSA-N 0 0 241.243 2.019 20 5 BEBDRN CC(C)(O)COc1cc([N+](=O)[O-])ccc1Cl ZINC000069635304 388724065 /nfs/dbraw/zinc/72/40/65/388724065.db2.gz UELKGTUVKFCWGI-UHFFFAOYSA-N 0 0 245.662 2.398 20 5 BEBDRN CN(C[C@@H]1CCCO1)c1sccc1[N+](=O)[O-] ZINC000301986127 388725454 /nfs/dbraw/zinc/72/54/54/388725454.db2.gz KBIKJMAJHRCDQO-QMMMGPOBSA-N 0 0 242.300 2.272 20 5 BEBDRN CCCCC(=O)N(C)c1ccc([N+](=O)[O-])nc1 ZINC000281250990 388795760 /nfs/dbraw/zinc/79/57/60/388795760.db2.gz UOFYUHXXRLRRKC-UHFFFAOYSA-N 0 0 237.259 2.143 20 5 BEBDRN Cc1nc(C)n(Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000125623811 388797902 /nfs/dbraw/zinc/79/79/02/388797902.db2.gz DUXGEHHEUUPVRI-UHFFFAOYSA-N 0 0 246.270 2.160 20 5 BEBDRN CCOCCNc1cccc(F)c1[N+](=O)[O-] ZINC000037420977 388800574 /nfs/dbraw/zinc/80/05/74/388800574.db2.gz YQYLFUNTUUBOJC-UHFFFAOYSA-N 0 0 228.223 2.182 20 5 BEBDRN C[C@H]1C[C@@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000193225194 388812625 /nfs/dbraw/zinc/81/26/25/388812625.db2.gz KEECRHNMKONHSD-ONGXEEELSA-N 0 0 248.282 2.209 20 5 BEBDRN CC1(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000279824174 388775093 /nfs/dbraw/zinc/77/50/93/388775093.db2.gz BUWKRRUWFIZEQX-UHFFFAOYSA-N 0 0 235.239 2.343 20 5 BEBDRN CCOCCOc1ccc([N+](=O)[O-])c(OC)c1 ZINC000279860394 388778064 /nfs/dbraw/zinc/77/80/64/388778064.db2.gz FRJAHSFIDUYBTJ-UHFFFAOYSA-N 0 0 241.243 2.019 20 5 BEBDRN C[C@H]1C[C@H]1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000193225220 388812890 /nfs/dbraw/zinc/81/28/90/388812890.db2.gz KEECRHNMKONHSD-GXSJLCMTSA-N 0 0 248.282 2.209 20 5 BEBDRN CCOc1cccc(NCCF)c1[N+](=O)[O-] ZINC000280730876 388785595 /nfs/dbraw/zinc/78/55/95/388785595.db2.gz JZBTYAVWYJFVDR-UHFFFAOYSA-N 0 0 228.223 2.375 20 5 BEBDRN O=[N+]([O-])c1ccc(NCCF)c(F)c1 ZINC000280798952 388787473 /nfs/dbraw/zinc/78/74/73/388787473.db2.gz RSQBKWQXQBFINH-UHFFFAOYSA-N 0 0 202.160 2.115 20 5 BEBDRN CO[C@H](Cn1nccc1[N+](=O)[O-])c1ccccc1 ZINC000282576416 388817319 /nfs/dbraw/zinc/81/73/19/388817319.db2.gz CFHFBMGAYCBEJH-LLVKDONJSA-N 0 0 247.254 2.179 20 5 BEBDRN CO[C@@H](Cn1nccc1[N+](=O)[O-])c1ccccc1 ZINC000282576418 388817570 /nfs/dbraw/zinc/81/75/70/388817570.db2.gz CFHFBMGAYCBEJH-NSHDSACASA-N 0 0 247.254 2.179 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCc1cc[nH]n1 ZINC000096482885 388819878 /nfs/dbraw/zinc/81/98/78/388819878.db2.gz QYQIWZPOGDYJAW-UHFFFAOYSA-N 0 0 232.243 2.238 20 5 BEBDRN Nc1ccc(N2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000283726208 388824527 /nfs/dbraw/zinc/82/45/27/388824527.db2.gz GZZYSJILYOQIGK-AOOOYVTPSA-N 0 0 247.298 2.413 20 5 BEBDRN Cc1cc(NC(=O)N2CC(C)C2)ccc1[N+](=O)[O-] ZINC000334908577 388825542 /nfs/dbraw/zinc/82/55/42/388825542.db2.gz IDQQALAJZLZFFG-UHFFFAOYSA-N 0 0 249.270 2.387 20 5 BEBDRN CS[C@@H](C)CNc1ccc([N+](=O)[O-])nc1 ZINC000122668702 388859259 /nfs/dbraw/zinc/85/92/59/388859259.db2.gz WEGBGFHBENJGHV-ZETCQYMHSA-N 0 0 227.289 2.153 20 5 BEBDRN CCN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000298303950 169690773 /nfs/dbraw/zinc/69/07/73/169690773.db2.gz JUFSZWNQZGSORP-UHFFFAOYSA-N 0 0 228.273 2.057 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1N1CCO[C@@H](C)C1 ZINC000263698771 132177687 /nfs/dbraw/zinc/17/76/87/132177687.db2.gz FKJUTJIJZGWOAV-JTQLQIEISA-N 0 0 236.271 2.128 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CCO[C@H]2CCC[C@@H]21 ZINC000267326235 132189501 /nfs/dbraw/zinc/18/95/01/132189501.db2.gz ZVQKFGTZPUEVNY-STQMWFEESA-N 0 0 248.282 2.353 20 5 BEBDRN C[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C[C@H]1C ZINC000270884232 132198228 /nfs/dbraw/zinc/19/82/28/132198228.db2.gz FGNFPLRLIMUYIF-VHSXEESVSA-N 0 0 235.287 2.472 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000271678399 132199793 /nfs/dbraw/zinc/19/97/93/132199793.db2.gz YLVIRVBMXRRTSW-CHWSQXEVSA-N 0 0 248.282 2.353 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CCC=C(F)C2)n1 ZINC000274295321 132202927 /nfs/dbraw/zinc/20/29/27/132202927.db2.gz MALBFIPUVATWLK-UHFFFAOYSA-N 0 0 237.234 2.362 20 5 BEBDRN Cc1ccnc(N2CCC=C(C)C2)c1[N+](=O)[O-] ZINC000280811413 132210931 /nfs/dbraw/zinc/21/09/31/132210931.db2.gz TYLLEJNENBPYPM-UHFFFAOYSA-N 0 0 233.271 2.455 20 5 BEBDRN C[C@@]1(F)CCCN(c2ncccc2[N+](=O)[O-])C1 ZINC000294961231 132219934 /nfs/dbraw/zinc/21/99/34/132219934.db2.gz NLBKSTXQYDZYOG-LLVKDONJSA-N 0 0 239.250 2.318 20 5 BEBDRN CC1=C[C@H](C)CN(c2ncccc2[N+](=O)[O-])C1 ZINC000362373182 132280930 /nfs/dbraw/zinc/28/09/30/132280930.db2.gz HOQVRABMMRGHDJ-VIFPVBQESA-N 0 0 233.271 2.392 20 5 BEBDRN O=[N+]([O-])c1ccc(N2CCCCN2)c(Cl)c1 ZINC000289213474 132307362 /nfs/dbraw/zinc/30/73/62/132307362.db2.gz WEFDEQRIQLXWEM-UHFFFAOYSA-N 0 0 241.678 2.353 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC12CC2 ZINC000335509668 133870831 /nfs/dbraw/zinc/87/08/31/133870831.db2.gz GEUSYXOOEDGQFL-JTQLQIEISA-N 0 0 246.266 2.186 20 5 BEBDRN C[C@H](F)CCn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000349834493 133917972 /nfs/dbraw/zinc/91/79/72/133917972.db2.gz YFHWQEZNQBPMNF-LURJTMIESA-N 0 0 248.641 2.158 20 5 BEBDRN Cn1cnc([N+](=O)[O-])c1CSCCCCF ZINC000350721828 133958044 /nfs/dbraw/zinc/95/80/44/133958044.db2.gz XPUIWHNKXKZVFR-UHFFFAOYSA-N 0 0 247.295 2.311 20 5 BEBDRN Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000335935303 134012065 /nfs/dbraw/zinc/01/20/65/134012065.db2.gz MOGFBKAAQSHCON-UHFFFAOYSA-N 0 0 245.238 2.484 20 5 BEBDRN C[C@@H]1CC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000335947347 134020477 /nfs/dbraw/zinc/02/04/77/134020477.db2.gz XGKOPNXNFVQLCA-HTRCEHHLSA-N 0 0 240.284 2.185 20 5 BEBDRN Cc1cccc(C(=O)N[C@H]2CC[C@@H]2C)c1[N+](=O)[O-] ZINC000335948818 134021035 /nfs/dbraw/zinc/02/10/35/134021035.db2.gz HONHOBXYSYTFOR-KWQFWETISA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1n[nH]cc1Nc1nc(C)ccc1[N+](=O)[O-] ZINC000178198875 134304683 /nfs/dbraw/zinc/30/46/83/134304683.db2.gz OTZICVZVMLQYID-UHFFFAOYSA-N 0 0 233.231 2.073 20 5 BEBDRN CC1(C)C[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000226389078 134365125 /nfs/dbraw/zinc/36/51/25/134365125.db2.gz LJIGKVRVARRKTA-MRVPVSSYSA-N 0 0 221.260 2.448 20 5 BEBDRN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000184794996 134370153 /nfs/dbraw/zinc/37/01/53/134370153.db2.gz QSQYNUVWOPFGAU-SNVBAGLBSA-N 0 0 237.255 2.337 20 5 BEBDRN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000184794979 134370415 /nfs/dbraw/zinc/37/04/15/134370415.db2.gz QSQYNUVWOPFGAU-JTQLQIEISA-N 0 0 237.255 2.337 20 5 BEBDRN Cc1ccnc(N2CCC[C@@H](F)C2)c1[N+](=O)[O-] ZINC000408104960 134393045 /nfs/dbraw/zinc/39/30/45/134393045.db2.gz GPMYKJUOPYSHRF-SECBINFHSA-N 0 0 239.250 2.237 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NCC1(C)CC1 ZINC000234207359 134575537 /nfs/dbraw/zinc/57/55/37/134575537.db2.gz FQYJOIYKQRBXAC-UHFFFAOYSA-N 0 0 238.291 2.332 20 5 BEBDRN Cc1cccc([N+](=O)[O-])c1NCc1cccnn1 ZINC000235779483 134811316 /nfs/dbraw/zinc/81/13/16/134811316.db2.gz MASZWLSHBFZITE-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1ccc(NCc2cccnn2)c([N+](=O)[O-])c1 ZINC000235887586 134815329 /nfs/dbraw/zinc/81/53/29/134815329.db2.gz JVLMLQRNOUVGOS-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(=O)n1Cc1ccccc1 ZINC000071526629 134932854 /nfs/dbraw/zinc/93/28/54/134932854.db2.gz PDYFBGNKBWEEDD-UHFFFAOYSA-N 0 0 244.250 2.113 20 5 BEBDRN Cc1cc(OC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000073190767 134939458 /nfs/dbraw/zinc/93/94/58/134939458.db2.gz QPFWXOLWIRGCJA-LLVKDONJSA-N 0 0 237.255 2.461 20 5 BEBDRN Cc1nn(C)cc1Nc1ccccc1[N+](=O)[O-] ZINC000164049860 135212054 /nfs/dbraw/zinc/21/20/54/135212054.db2.gz NTVJOCSECHTNTJ-UHFFFAOYSA-N 0 0 232.243 2.380 20 5 BEBDRN C[C@@H]1CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000334381276 135379379 /nfs/dbraw/zinc/37/93/79/135379379.db2.gz JHTSJMJVZXNQNC-RNFRBKRXSA-N 0 0 240.284 2.185 20 5 BEBDRN CC(C)=CCNc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000343229655 135456789 /nfs/dbraw/zinc/45/67/89/135456789.db2.gz SADCGHALWCHAKF-UHFFFAOYSA-N 0 0 249.270 2.072 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(=O)n1Cc1ccccc1 ZINC000096553057 135627270 /nfs/dbraw/zinc/62/72/70/135627270.db2.gz PULBUCFPKBFIHB-UHFFFAOYSA-N 0 0 244.250 2.113 20 5 BEBDRN CCN(CC1CC1)c1ccc([N+](=O)[O-])nc1 ZINC000344426262 135769176 /nfs/dbraw/zinc/76/91/76/135769176.db2.gz XAOMFICQBUSIEE-UHFFFAOYSA-N 0 0 221.260 2.226 20 5 BEBDRN O=C(Nc1ccsc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000334983552 135857500 /nfs/dbraw/zinc/85/75/00/135857500.db2.gz FYMKIEVDSVFZKI-UHFFFAOYSA-N 0 0 237.240 2.237 20 5 BEBDRN O=[N+]([O-])c1cccnc1N[C@@H]1C[C@H]1C(F)F ZINC000348229346 136060274 /nfs/dbraw/zinc/06/02/74/136060274.db2.gz XJZOADJKNHVCHO-PHDIDXHHSA-N 0 0 229.186 2.055 20 5 BEBDRN O=c1c([N+](=O)[O-])cc2c(n1CC1CC1)CCCC2 ZINC000335344382 136065553 /nfs/dbraw/zinc/06/55/53/136065553.db2.gz DJZPQALRQJARJM-UHFFFAOYSA-N 0 0 248.282 2.045 20 5 BEBDRN C[C@@H]1CC[C@H](n2cc([N+](=O)[O-])cc(F)c2=O)C1 ZINC000335357970 136074856 /nfs/dbraw/zinc/07/48/56/136074856.db2.gz GVKCIPORTYMWIP-SFYZADRCSA-N 0 0 240.234 2.257 20 5 BEBDRN Cc1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000348473973 136079795 /nfs/dbraw/zinc/07/97/95/136079795.db2.gz LGIBPOBEUCFXIU-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN Cc1cnc(NC(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000348472144 136079870 /nfs/dbraw/zinc/07/98/70/136079870.db2.gz DUUHTZYAEQSUQA-UHFFFAOYSA-N 0 0 247.210 2.144 20 5 BEBDRN Cc1c(C(=O)N[C@@H]2CC23CC3)cccc1[N+](=O)[O-] ZINC000335559530 136100399 /nfs/dbraw/zinc/10/03/99/136100399.db2.gz CPARDNCWPBVKSF-LLVKDONJSA-N 0 0 246.266 2.186 20 5 BEBDRN CC[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1F ZINC000060374234 398075663 /nfs/dbraw/zinc/07/56/63/398075663.db2.gz JUBUVGPKJVINPD-NSHDSACASA-N 0 0 242.250 2.307 20 5 BEBDRN O=[N+]([O-])c1cccc(Cl)c1N[C@H]1C[C@H](O)C1 ZINC000596555827 398084039 /nfs/dbraw/zinc/08/40/39/398084039.db2.gz HTKFXJJXVMLCAW-LJGSYFOKSA-N 0 0 242.662 2.183 20 5 BEBDRN CC[C@@H](C)CNc1c([N+](=O)[O-])c(C)nn1C ZINC000054474311 398109804 /nfs/dbraw/zinc/10/98/04/398109804.db2.gz CITQOUIWYDGYPE-SSDOTTSWSA-N 0 0 226.280 2.095 20 5 BEBDRN Cc1ccc(CCCn2cnc([N+](=O)[O-])n2)cc1 ZINC000181998048 398113179 /nfs/dbraw/zinc/11/31/79/398113179.db2.gz PPLNVHWGJUMDRJ-UHFFFAOYSA-N 0 0 246.270 2.128 20 5 BEBDRN CC(C)OCCNc1cc(N)ccc1[N+](=O)[O-] ZINC000193498812 167247087 /nfs/dbraw/zinc/24/70/87/167247087.db2.gz PXZWURCYBOVNLV-UHFFFAOYSA-N 0 0 239.275 2.014 20 5 BEBDRN CC(C)Oc1cc2n[nH]cc2cc1[N+](=O)[O-] ZINC000077045797 167289251 /nfs/dbraw/zinc/28/92/51/167289251.db2.gz MDLTVYZCSSUQJR-UHFFFAOYSA-N 0 0 221.216 2.258 20 5 BEBDRN CCN(CC)c1cc(C)c([N+](=O)[O-])cn1 ZINC000238262215 169802904 /nfs/dbraw/zinc/80/29/04/169802904.db2.gz VRFHCRFHFYTROI-UHFFFAOYSA-N 0 0 209.249 2.144 20 5 BEBDRN O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCCCC1 ZINC000092106824 411181817 /nfs/dbraw/zinc/18/18/17/411181817.db2.gz NGOPTECSNKZITN-UHFFFAOYSA-N 0 0 236.271 2.286 20 5 BEBDRN CC/C=C\CCn1cc([N+](=O)[O-])cc(C)c1=O ZINC000341618896 167861117 /nfs/dbraw/zinc/86/11/17/167861117.db2.gz RMXNYMIMIPPJEF-PLNGDYQASA-N 0 0 236.271 2.421 20 5 BEBDRN CC1(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000279983913 167863862 /nfs/dbraw/zinc/86/38/62/167863862.db2.gz PWUSPVCBJMIOKM-UHFFFAOYSA-N 0 0 235.239 2.343 20 5 BEBDRN CC1(CNc2ccccc2[N+](=O)[O-])COC1 ZINC000112695943 168047989 /nfs/dbraw/zinc/04/79/89/168047989.db2.gz LJEHFQWEVHVKFB-UHFFFAOYSA-N 0 0 222.244 2.043 20 5 BEBDRN CC1(C)[C@@H]2CN(c3ncc([N+](=O)[O-])s3)C[C@@H]21 ZINC000192466323 168013479 /nfs/dbraw/zinc/01/34/79/168013479.db2.gz XGCYUHHAQXJLBT-KNVOCYPGSA-N 0 0 239.300 2.144 20 5 BEBDRN CC1(CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000336778354 168018005 /nfs/dbraw/zinc/01/80/05/168018005.db2.gz LDZDHLVSYWNGQG-UHFFFAOYSA-N 0 0 221.260 2.014 20 5 BEBDRN CC1(CNc2ncc([N+](=O)[O-])cn2)CCCC1 ZINC000108941412 168049709 /nfs/dbraw/zinc/04/97/09/168049709.db2.gz GZSLZGWLYCKIDA-UHFFFAOYSA-N 0 0 236.275 2.377 20 5 BEBDRN CC1(NC(=O)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000125537483 168057033 /nfs/dbraw/zinc/05/70/33/168057033.db2.gz YJAQUYJDCJPIGA-UHFFFAOYSA-N 0 0 248.282 2.196 20 5 BEBDRN CC1CC(NC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000267710498 168145893 /nfs/dbraw/zinc/14/58/93/168145893.db2.gz CRIZHAWFDWLAKP-UHFFFAOYSA-N 0 0 234.255 2.123 20 5 BEBDRN CC1CC(Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000123631573 168148658 /nfs/dbraw/zinc/14/86/58/168148658.db2.gz NYSWLRFSLWLIJI-UHFFFAOYSA-N 0 0 207.233 2.200 20 5 BEBDRN CCC(=O)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000269365067 168210077 /nfs/dbraw/zinc/21/00/77/168210077.db2.gz NSWRWBFZTIFXHA-UHFFFAOYSA-N 0 0 247.254 2.232 20 5 BEBDRN CCC(=O)c1ccc(N2CCC2)c([N+](=O)[O-])c1 ZINC000280011144 168255619 /nfs/dbraw/zinc/25/56/19/168255619.db2.gz ISRRDSOSQFZXRA-UHFFFAOYSA-N 0 0 234.255 2.398 20 5 BEBDRN CCC(C)(C)CCn1cnc([N+](=O)[O-])n1 ZINC000361448356 168277372 /nfs/dbraw/zinc/27/73/72/168277372.db2.gz ZMAQPPBLXPPXHZ-UHFFFAOYSA-N 0 0 212.253 2.013 20 5 BEBDRN C[C@@H](Nc1ncc([N+](=O)[O-])s1)C(F)F ZINC000306782190 411459442 /nfs/dbraw/zinc/45/94/42/411459442.db2.gz CCLRBDHNYVPSQB-GSVOUGTGSA-N 0 0 223.204 2.117 20 5 BEBDRN Cc1c([N+](=O)[O-])ccc(=O)n1[C@H]1C=CCCC1 ZINC000298259558 411437805 /nfs/dbraw/zinc/43/78/05/411437805.db2.gz ODRZXVLELXMTGC-JTQLQIEISA-N 0 0 234.255 2.346 20 5 BEBDRN CCN(c1ncc([N+](=O)[O-])s1)C(C)C ZINC000195510223 169944506 /nfs/dbraw/zinc/94/45/06/169944506.db2.gz JRCGZYNVYMSAJU-UHFFFAOYSA-N 0 0 215.278 2.286 20 5 BEBDRN CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000048430774 170100908 /nfs/dbraw/zinc/10/09/08/170100908.db2.gz SIQDMIWSZRZHIS-UHFFFAOYSA-N 0 0 240.284 2.066 20 5 BEBDRN CCOC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000035188419 170287521 /nfs/dbraw/zinc/28/75/21/170287521.db2.gz FAVBQGLYUBFXQG-UHFFFAOYSA-N 0 0 209.201 2.080 20 5 BEBDRN CCOC(C)(C)CNc1ncc([N+](=O)[O-])s1 ZINC000189691012 170315410 /nfs/dbraw/zinc/31/54/10/170315410.db2.gz MAKKCJIOWZBCJX-UHFFFAOYSA-N 0 0 245.304 2.278 20 5 BEBDRN CCOCCN(C)Cc1ccccc1[N+](=O)[O-] ZINC000046054042 170390296 /nfs/dbraw/zinc/39/02/96/170390296.db2.gz ALPFOIWQRUWLID-UHFFFAOYSA-N 0 0 238.287 2.063 20 5 BEBDRN CC[C@@H](CCO)Nc1cccc(F)c1[N+](=O)[O-] ZINC000134964929 170821319 /nfs/dbraw/zinc/82/13/19/170821319.db2.gz UCQCQNPCXXHZRQ-QMMMGPOBSA-N 0 0 242.250 2.307 20 5 BEBDRN CC[C@@H](O)CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000310562723 170936177 /nfs/dbraw/zinc/93/61/77/170936177.db2.gz WIGLBVMNYFJRKE-MRVPVSSYSA-N 0 0 242.250 2.225 20 5 BEBDRN CC[C@@H]1CCN1c1ncc([N+](=O)[O-])s1 ZINC000292455024 171027583 /nfs/dbraw/zinc/02/75/83/171027583.db2.gz ZKHVFIVFPPUTTF-ZCFIWIBFSA-N 0 0 213.262 2.040 20 5 BEBDRN CC[C@@H]1C[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000281883248 171134176 /nfs/dbraw/zinc/13/41/76/171134176.db2.gz VRRYEUUWQXGFPO-ZYHUDNBSSA-N 0 0 248.282 2.052 20 5 BEBDRN CC[C@@](C)(CO)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000135832272 171171622 /nfs/dbraw/zinc/17/16/22/171171622.db2.gz RWWYKPXKIUUDNV-NSHDSACASA-N 0 0 242.250 2.307 20 5 BEBDRN CC[C@@](C)(O)CNc1c(C)cccc1[N+](=O)[O-] ZINC000096482996 171186209 /nfs/dbraw/zinc/18/62/09/171186209.db2.gz WXFNCFQKWMZKDS-GFCCVEGCSA-N 0 0 238.287 2.476 20 5 BEBDRN CC[C@H](C)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000268573766 171301366 /nfs/dbraw/zinc/30/13/66/171301366.db2.gz BEBBVCVOWRVTTD-ZETCQYMHSA-N 0 0 244.678 2.456 20 5 BEBDRN CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054056140 171337413 /nfs/dbraw/zinc/33/74/13/171337413.db2.gz CCWIMSOCZXWDSL-ZETCQYMHSA-N 0 0 240.234 2.262 20 5 BEBDRN CC[C@H](C)OC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000048265636 171351424 /nfs/dbraw/zinc/35/14/24/171351424.db2.gz QVVLSSNYCPTFIB-ZETCQYMHSA-N 0 0 238.243 2.132 20 5 BEBDRN CC[C@H]1C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000227013467 171680353 /nfs/dbraw/zinc/68/03/53/171680353.db2.gz IXUKMZQNRWYSCF-JGVFFNPUSA-N 0 0 207.233 2.200 20 5 BEBDRN CCc1nn(C)c(N[C@H]2CC2(C)C)c1[N+](=O)[O-] ZINC000091560862 172039207 /nfs/dbraw/zinc/03/92/07/172039207.db2.gz PATUCWMFCXHSRR-QMMMGPOBSA-N 0 0 238.291 2.101 20 5 BEBDRN CCc1nn(C)cc1Nc1ccc([N+](=O)[O-])cn1 ZINC000091026427 172043908 /nfs/dbraw/zinc/04/39/08/172043908.db2.gz RHNZWILQBVACRQ-UHFFFAOYSA-N 0 0 247.258 2.029 20 5 BEBDRN CCc1nnc(NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000295996657 172060583 /nfs/dbraw/zinc/06/05/83/172060583.db2.gz OBFXDPXGZGGTAK-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CCc1noc(NCc2cccc([N+](=O)[O-])c2)n1 ZINC000292629491 172089050 /nfs/dbraw/zinc/08/90/50/172089050.db2.gz FAXJENQZLJUKDD-UHFFFAOYSA-N 0 0 248.242 2.152 20 5 BEBDRN CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[C@@H]1C ZINC000336730955 172137526 /nfs/dbraw/zinc/13/75/26/172137526.db2.gz YLMYNHOAILPYGK-IONNQARKSA-N 0 0 238.291 2.330 20 5 BEBDRN CCn1nc(C)c([N+](=O)[O-])c1NCC[C@H](C)F ZINC000338748031 172248627 /nfs/dbraw/zinc/24/86/27/172248627.db2.gz AJEASSVAWRPCTQ-ZETCQYMHSA-N 0 0 244.270 2.280 20 5 BEBDRN CN(CC1CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056332401 172648942 /nfs/dbraw/zinc/64/89/42/172648942.db2.gz LNFHSFVORRESGX-UHFFFAOYSA-N 0 0 249.270 2.469 20 5 BEBDRN CN(CCC1CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000269527431 172681641 /nfs/dbraw/zinc/68/16/41/172681641.db2.gz PBYGTWBGFRAGBH-UHFFFAOYSA-N 0 0 238.243 2.060 20 5 BEBDRN COCC(C)(C)CNc1ncccc1[N+](=O)[O-] ZINC000291679593 174077284 /nfs/dbraw/zinc/07/72/84/174077284.db2.gz FCSNEWLULMUANO-UHFFFAOYSA-N 0 0 239.275 2.074 20 5 BEBDRN COCCCCCNc1ncccc1[N+](=O)[O-] ZINC000058554236 174185612 /nfs/dbraw/zinc/18/56/12/174185612.db2.gz YKLAZYLRTDTADD-UHFFFAOYSA-N 0 0 239.275 2.218 20 5 BEBDRN COCCCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000162614744 174204596 /nfs/dbraw/zinc/20/45/96/174204596.db2.gz KWMVYHJRNDRUHG-UHFFFAOYSA-N 0 0 239.275 2.137 20 5 BEBDRN COCCCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359079879 174251755 /nfs/dbraw/zinc/25/17/55/174251755.db2.gz CJCXPZJFFCVXCM-UHFFFAOYSA-N 0 0 239.275 2.055 20 5 BEBDRN COCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000037401113 174252123 /nfs/dbraw/zinc/25/21/23/174252123.db2.gz CPGUDKLVORZOHK-UHFFFAOYSA-N 0 0 224.260 2.352 20 5 BEBDRN COCCCOc1ccc([N+](=O)[O-])cc1OC ZINC000183251219 174256695 /nfs/dbraw/zinc/25/66/95/174256695.db2.gz WBRBOOZBIMKWSA-UHFFFAOYSA-N 0 0 241.243 2.019 20 5 BEBDRN COCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000020009691 174341054 /nfs/dbraw/zinc/34/10/54/174341054.db2.gz CEYWNCDTBXPQKH-UHFFFAOYSA-N 0 0 230.651 2.307 20 5 BEBDRN COCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000161543441 174386752 /nfs/dbraw/zinc/38/67/52/174386752.db2.gz CPFPEYKKNVWHQP-MRVPVSSYSA-N 0 0 239.275 2.135 20 5 BEBDRN COC[C@@H](C)CNc1c(F)cccc1[N+](=O)[O-] ZINC000131908765 174444472 /nfs/dbraw/zinc/44/44/72/174444472.db2.gz ZVDLYIHWKBTDKJ-QMMMGPOBSA-N 0 0 242.250 2.428 20 5 BEBDRN CO[C@@H](C)CCNc1ccccc1[N+](=O)[O-] ZINC000263922672 174691119 /nfs/dbraw/zinc/69/11/19/174691119.db2.gz UXGAEXHKGJCLDM-VIFPVBQESA-N 0 0 224.260 2.432 20 5 BEBDRN CO[C@H](C)CCNc1cc(N)ccc1[N+](=O)[O-] ZINC000282232495 174818907 /nfs/dbraw/zinc/81/89/07/174818907.db2.gz PHGVDLCZXSQVCW-MRVPVSSYSA-N 0 0 239.275 2.014 20 5 BEBDRN CO[C@H](C)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000224325530 174836662 /nfs/dbraw/zinc/83/66/62/174836662.db2.gz CHIPLCXKHDSBSR-SECBINFHSA-N 0 0 224.260 2.350 20 5 BEBDRN COc1ccc(OCC2CC2)cc1[N+](=O)[O-] ZINC000190181045 175171641 /nfs/dbraw/zinc/17/16/41/175171641.db2.gz UVXCCUKSILQYFA-UHFFFAOYSA-N 0 0 223.228 2.392 20 5 BEBDRN CSCCCNc1nccc(C)c1[N+](=O)[O-] ZINC000070062836 175488268 /nfs/dbraw/zinc/48/82/68/175488268.db2.gz ZKDPATRHMRIJDS-UHFFFAOYSA-N 0 0 241.316 2.463 20 5 BEBDRN CSCCCNc1ncc([N+](=O)[O-])cc1C ZINC000069012796 175488826 /nfs/dbraw/zinc/48/88/26/175488826.db2.gz RRWRUXBEILBBME-UHFFFAOYSA-N 0 0 241.316 2.463 20 5 BEBDRN C[C@@H](CO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000196202959 175759056 /nfs/dbraw/zinc/75/90/56/175759056.db2.gz MTFGKURJGLTWMC-LURJTMIESA-N 0 0 230.651 2.041 20 5 BEBDRN C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302077716 176104443 /nfs/dbraw/zinc/10/44/43/176104443.db2.gz AOSKYHRDDOOVBI-SECBINFHSA-N 0 0 236.275 2.011 20 5 BEBDRN C[C@@H]1CCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000330446617 176109026 /nfs/dbraw/zinc/10/90/26/176109026.db2.gz DYNJMESOIBECMN-SECBINFHSA-N 0 0 236.271 2.285 20 5 BEBDRN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1C ZINC000178165295 176163501 /nfs/dbraw/zinc/16/35/01/176163501.db2.gz IJFCRNMXETZHTN-HTQZYQBOSA-N 0 0 238.243 2.058 20 5 BEBDRN C[C@@H]1CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000356725245 176236434 /nfs/dbraw/zinc/23/64/34/176236434.db2.gz KTJSABOCHGRAHH-BXKDBHETSA-N 0 0 248.282 2.052 20 5 BEBDRN C[C@@H]1CN(c2sccc2[N+](=O)[O-])CCC1=O ZINC000302907256 176321740 /nfs/dbraw/zinc/32/17/40/176321740.db2.gz XPPFZIWGKZQCMZ-SSDOTTSWSA-N 0 0 240.284 2.072 20 5 BEBDRN C[C@@H]1C[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000336462080 176363681 /nfs/dbraw/zinc/36/36/81/176363681.db2.gz ANMNUDCAUGIXNJ-NXEZZACHSA-N 0 0 248.282 2.147 20 5 BEBDRN C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])s2)CCO1 ZINC000235366982 176380028 /nfs/dbraw/zinc/38/00/28/176380028.db2.gz PWLDGVFSCGVCPJ-RQJHMYQMSA-N 0 0 243.288 2.031 20 5 BEBDRN C[C@@H]1C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000298428300 176396149 /nfs/dbraw/zinc/39/61/49/176396149.db2.gz UPUHRWCRLWUALL-RNFRBKRXSA-N 0 0 240.284 2.042 20 5 BEBDRN C[C@@H]1C[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000136088001 176398567 /nfs/dbraw/zinc/39/85/67/176398567.db2.gz FNJIPIQYMWJCPA-HTQZYQBOSA-N 0 0 207.233 2.058 20 5 BEBDRN C[C@H](CO)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000088389679 176694784 /nfs/dbraw/zinc/69/47/84/176694784.db2.gz NSBILYCDCNFVNN-ZETCQYMHSA-N 0 0 244.678 2.289 20 5 BEBDRN C[C@H](CO)N(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000158983973 176700147 /nfs/dbraw/zinc/70/01/47/176700147.db2.gz INYUFVPVKICMDW-SSDOTTSWSA-N 0 0 244.678 2.065 20 5 BEBDRN C[C@H](C[C@H](C)O)Nc1ccccc1[N+](=O)[O-] ZINC000125517519 176996501 /nfs/dbraw/zinc/99/65/01/176996501.db2.gz SQHKKXBLIJKCSW-BDAKNGLRSA-N 0 0 224.260 2.166 20 5 BEBDRN C[C@H]1CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000060249437 177109070 /nfs/dbraw/zinc/10/90/70/177109070.db2.gz UZVSVOANDRIGIK-ZETCQYMHSA-N 0 0 240.284 2.281 20 5 BEBDRN C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000294065380 177228287 /nfs/dbraw/zinc/22/82/87/177228287.db2.gz LEYINSOIYUKUER-IUCAKERBSA-N 0 0 234.255 2.075 20 5 BEBDRN C[C@@H]1[C@@H](C)CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000294426458 177231800 /nfs/dbraw/zinc/23/18/00/177231800.db2.gz ZOPMALHRQVRURH-NKWVEPMBSA-N 0 0 240.284 2.137 20 5 BEBDRN C[C@H]1C[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000043146129 177379958 /nfs/dbraw/zinc/37/99/58/177379958.db2.gz CLUZGQLRJCMQQR-IUCAKERBSA-N 0 0 249.270 2.372 20 5 BEBDRN C[C@H]1OCC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000147561328 177403436 /nfs/dbraw/zinc/40/34/36/177403436.db2.gz KAUGOULATWXRKI-BDAKNGLRSA-N 0 0 222.244 2.184 20 5 BEBDRN C[C@]1(Nc2ccc(F)cc2[N+](=O)[O-])CCOC1 ZINC000160000885 177470360 /nfs/dbraw/zinc/47/03/60/177470360.db2.gz HKZHJDLOGZLSOF-NSHDSACASA-N 0 0 240.234 2.325 20 5 BEBDRN O=[N+]([O-])c1ccc(OCc2nncs2)cc1 ZINC001652438869 1173078922 /nfs/dbraw/zinc/07/89/22/1173078922.db2.gz PMLFGLHREACCSH-UHFFFAOYSA-N 0 0 237.240 2.025 20 5 BEBDRN Cc1c(NC(=O)[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000068968247 177617662 /nfs/dbraw/zinc/61/76/62/177617662.db2.gz QTKUFAQEGIAFBK-IONNQARKSA-N 0 0 234.255 2.498 20 5 BEBDRN C[C@H](F)CCn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000505569904 226357018 /nfs/dbraw/zinc/35/70/18/226357018.db2.gz CIVQQQHPWLBOBE-LURJTMIESA-N 0 0 248.641 2.158 20 5 BEBDRN Cc1ccc(Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 ZINC000174098372 229376472 /nfs/dbraw/zinc/37/64/72/229376472.db2.gz SKVQRMGTTFYPDO-UHFFFAOYSA-N 0 0 244.250 2.113 20 5 BEBDRN CCOCOc1c(Cl)cncc1[N+](=O)[O-] ZINC000804917506 585161152 /nfs/dbraw/zinc/16/11/52/585161152.db2.gz PWHJLRWROBADRC-UHFFFAOYSA-N 0 0 232.623 2.016 20 5 BEBDRN CN(C(=O)C1(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158590602 323073372 /nfs/dbraw/zinc/07/33/72/323073372.db2.gz SCHHDXZYZRYESK-UHFFFAOYSA-N 0 0 234.255 2.358 20 5 BEBDRN CC1(C)CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000570895902 323073647 /nfs/dbraw/zinc/07/36/47/323073647.db2.gz TVXJMGDKNPZXIL-UHFFFAOYSA-N 0 0 221.260 2.369 20 5 BEBDRN CN(c1ncc([N+](=O)[O-])cc1F)[C@@H]1CC1(C)C ZINC000570932063 323074643 /nfs/dbraw/zinc/07/46/43/323074643.db2.gz LCVNQLNNGQTLGP-SECBINFHSA-N 0 0 239.250 2.364 20 5 BEBDRN CC(F)(F)CCCNc1ccncc1[N+](=O)[O-] ZINC000390071080 323083341 /nfs/dbraw/zinc/08/33/41/323083341.db2.gz KZRYUYNFGJGMPA-UHFFFAOYSA-N 0 0 245.229 2.259 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(NCC2=CCOCC2)n1 ZINC000397748017 323091658 /nfs/dbraw/zinc/09/16/58/323091658.db2.gz OELZMPHCKWPKFT-UHFFFAOYSA-N 0 0 249.270 2.057 20 5 BEBDRN CC[C@@H]1C[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000571628362 323149937 /nfs/dbraw/zinc/14/99/37/323149937.db2.gz LJTMFPFORJYQPQ-ZYHUDNBSSA-N 0 0 248.282 2.257 20 5 BEBDRN Cc1nnc([C@@H](C)Nc2ccccc2[N+](=O)[O-])o1 ZINC000532349054 323255452 /nfs/dbraw/zinc/25/54/52/323255452.db2.gz JNCWYOVGTRDEIC-SSDOTTSWSA-N 0 0 248.242 2.459 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1[C@H](C)C[C@@H]1C ZINC000530431641 324595817 /nfs/dbraw/zinc/59/58/17/324595817.db2.gz OQTZJEIVMANDAT-DTORHVGOSA-N 0 0 221.260 2.285 20 5 BEBDRN CC(C)OC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000131272900 325133540 /nfs/dbraw/zinc/13/35/40/325133540.db2.gz RZMAFKXYCDLKAI-UHFFFAOYSA-N 0 0 227.191 2.299 20 5 BEBDRN C[C@@H]1C[C@H]1c1noc(-c2ccc([N+](=O)[O-])[nH]2)n1 ZINC000545058264 325174141 /nfs/dbraw/zinc/17/41/41/325174141.db2.gz VWCOVFKNMVRGQP-PHDIDXHHSA-N 0 0 234.215 2.096 20 5 BEBDRN O=[N+]([O-])c1cccc(F)c1OCc1ccno1 ZINC000545914751 325246693 /nfs/dbraw/zinc/24/66/93/325246693.db2.gz CMESVVPASOEGPE-UHFFFAOYSA-N 0 0 238.174 2.301 20 5 BEBDRN CCCN(C(=O)c1ccc([N+](=O)[O-])o1)C(C)C ZINC000566421677 326043840 /nfs/dbraw/zinc/04/38/40/326043840.db2.gz VAWCFBNYEJYRLW-UHFFFAOYSA-N 0 0 240.259 2.448 20 5 BEBDRN CCO[C@@H]1C[C@H]1Nc1ccc(C)cc1[N+](=O)[O-] ZINC000566600081 326066205 /nfs/dbraw/zinc/06/62/05/326066205.db2.gz HGXQWKWDDXEMFA-ZYHUDNBSSA-N 0 0 236.271 2.493 20 5 BEBDRN O=C(N[C@H]1C=CCCC1)c1ccccc1[N+](=O)[O-] ZINC000157737067 326293653 /nfs/dbraw/zinc/29/36/53/326293653.db2.gz LBRQCOKCFBNPLI-JTQLQIEISA-N 0 0 246.266 2.433 20 5 BEBDRN Cc1cnc(OCc2cccnc2)c([N+](=O)[O-])c1 ZINC000157906289 326299815 /nfs/dbraw/zinc/29/98/15/326299815.db2.gz PGEQUWCDNNQFQE-UHFFFAOYSA-N 0 0 245.238 2.272 20 5 BEBDRN CN(C(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000158392288 326318396 /nfs/dbraw/zinc/31/83/96/326318396.db2.gz CLEIZPNAFSNJAK-UHFFFAOYSA-N 0 0 246.222 2.464 20 5 BEBDRN Cc1ccnc(CNc2ncccc2[N+](=O)[O-])c1 ZINC000328280280 488150099 /nfs/dbraw/zinc/15/00/99/488150099.db2.gz PLNZDFFZTHJSQP-UHFFFAOYSA-N 0 0 244.254 2.305 20 5 BEBDRN Cc1cnc(OCC[C@H](C)F)c([N+](=O)[O-])c1 ZINC000505576665 534598457 /nfs/dbraw/zinc/59/84/57/534598457.db2.gz KOCQFCFQTRKGST-QMMMGPOBSA-N 0 0 228.223 2.425 20 5 BEBDRN CC(C)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000335960830 534991743 /nfs/dbraw/zinc/99/17/43/534991743.db2.gz CMJFZYIZAWBNTE-UHFFFAOYSA-N 0 0 240.234 2.214 20 5 BEBDRN CCC(C)(C)CNc1c([N+](=O)[O-])cnn1C ZINC000893483001 583152306 /nfs/dbraw/zinc/15/23/06/583152306.db2.gz CYYBSJAVAMBZSX-UHFFFAOYSA-N 0 0 226.280 2.176 20 5 BEBDRN C[C@@H](COC(=O)c1ccsc1Cl)[N+](=O)[O-] ZINC000853127880 588721894 /nfs/dbraw/zinc/72/18/94/588721894.db2.gz WAYFDOBGRQPQIH-YFKPBYRVSA-N 0 0 249.675 2.224 20 5 BEBDRN CO[C@@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000853406026 588741332 /nfs/dbraw/zinc/74/13/32/588741332.db2.gz MDWXDOMVGNGJGI-MRVPVSSYSA-N 0 0 242.300 2.190 20 5 BEBDRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1=O ZINC000853819860 588764904 /nfs/dbraw/zinc/76/49/04/588764904.db2.gz CWCYGZIIMALZHW-NXEZZACHSA-N 0 0 248.282 2.256 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3C[C@@H]3C2)n1 ZINC000853902031 588767973 /nfs/dbraw/zinc/76/79/73/588767973.db2.gz NIHHQTCHJNFYHS-NXEZZACHSA-N 0 0 233.271 2.144 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(N2CC3CC2(C)C3)n1 ZINC000853996918 588770850 /nfs/dbraw/zinc/77/08/50/588770850.db2.gz GIOYWMHIVNYHHL-UHFFFAOYSA-N 0 0 233.271 2.287 20 5 BEBDRN O=[N+]([O-])c1ccccc1N1CC[C@H]2C[C@H]21 ZINC000804687530 582525753 /nfs/dbraw/zinc/52/57/53/582525753.db2.gz BKBPJCJCMXNVAW-GZMMTYOYSA-N 0 0 204.229 2.193 20 5 BEBDRN C/C(=C\C(C)(C)C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813104616 582580888 /nfs/dbraw/zinc/58/08/88/582580888.db2.gz FKPYAWCOOQZOSF-BNICOGTQSA-N 0 0 229.276 2.187 20 5 BEBDRN C[C@@H](COC(=O)C[C@H]1CC[C@@H](C)C1)[N+](=O)[O-] ZINC000813106245 582581565 /nfs/dbraw/zinc/58/15/65/582581565.db2.gz BFJDZXRXUGUSMG-UTLUCORTSA-N 0 0 229.276 2.021 20 5 BEBDRN CCCCS[C@@H](C)C(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813106236 582581718 /nfs/dbraw/zinc/58/17/18/582581718.db2.gz BEYPOTIPZOGRID-BDAKNGLRSA-N 0 0 249.332 2.117 20 5 BEBDRN CC[C@@H](CC(=O)OC[C@H](C)[N+](=O)[O-])C(C)C ZINC000813108269 582586515 /nfs/dbraw/zinc/58/65/15/582586515.db2.gz XBWWUVJWXWEGPW-UWVGGRQHSA-N 0 0 231.292 2.267 20 5 BEBDRN CC[C@@H]1CCCC[C@H]1C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813110733 582588509 /nfs/dbraw/zinc/58/85/09/582588509.db2.gz IHKVBMLUOWTVCJ-HBNTYKKESA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](COC(=O)[C@@H]1CCCC(C)(C)C1)[N+](=O)[O-] ZINC000813115374 582592131 /nfs/dbraw/zinc/59/21/31/582592131.db2.gz QIABZMZBALVLNZ-NXEZZACHSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)(F)CCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000855747521 588847000 /nfs/dbraw/zinc/84/70/00/588847000.db2.gz NAMZUOKUOOYMSC-UHFFFAOYSA-N 0 0 248.298 2.076 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1NC[C@H]1C[C@@H]1C ZINC000891822711 582726968 /nfs/dbraw/zinc/72/69/68/582726968.db2.gz DJRKCNNVXYOVFO-JGVFFNPUSA-N 0 0 237.259 2.066 20 5 BEBDRN CC(C)C[C@@H]1C[C@H]1C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128800 582947313 /nfs/dbraw/zinc/94/73/13/582947313.db2.gz FNQNCHDIROATAB-NXEZZACHSA-N 0 0 243.303 2.267 20 5 BEBDRN CC(C)CCSc1c([N+](=O)[O-])cnn1C ZINC000892723444 582969444 /nfs/dbraw/zinc/96/94/44/582969444.db2.gz MUQAPZVRBQHJHP-UHFFFAOYSA-N 0 0 229.305 2.467 20 5 BEBDRN C[C@@H]1CCCN1c1ccc2nonc2c1[N+](=O)[O-] ZINC000892737316 582972370 /nfs/dbraw/zinc/97/23/70/582972370.db2.gz AYRYNAAJEBHXND-SSDOTTSWSA-N 0 0 248.242 2.120 20 5 BEBDRN Nc1ccc(N2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000853902019 583070437 /nfs/dbraw/zinc/07/04/37/583070437.db2.gz NCZUPYARGBWIBA-IUCAKERBSA-N 0 0 233.271 2.023 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1N[C@@H]1CC12CCCC2 ZINC000893486877 583152583 /nfs/dbraw/zinc/15/25/83/583152583.db2.gz DQQNKONXUVNSGG-SECBINFHSA-N 0 0 236.275 2.073 20 5 BEBDRN CC(C)=CCSc1c([N+](=O)[O-])cnn1C ZINC000893544576 583160365 /nfs/dbraw/zinc/16/03/65/583160365.db2.gz FQMFMKPFQGKVDW-UHFFFAOYSA-N 0 0 227.289 2.387 20 5 BEBDRN CC(C)[C@@H]1C[C@H]1CNc1c([N+](=O)[O-])cnn1C ZINC000894081957 583294590 /nfs/dbraw/zinc/29/45/90/583294590.db2.gz LCVXWHMBGCGBHF-IUCAKERBSA-N 0 0 238.291 2.032 20 5 BEBDRN O=[N+]([O-])c1cccc(CN2CC[C@@H]2C(F)F)c1 ZINC000895436661 583674565 /nfs/dbraw/zinc/67/45/65/583674565.db2.gz NWUCDDSLLAPHAM-SNVBAGLBSA-N 0 0 242.225 2.434 20 5 BEBDRN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000895537036 583687391 /nfs/dbraw/zinc/68/73/91/583687391.db2.gz LCAKAXZECDXXGR-CZULRBLNSA-N 0 0 233.271 2.446 20 5 BEBDRN Cn1ncc([N+](=O)[O-])c1NCCC1CC=CC1 ZINC000896093418 583770957 /nfs/dbraw/zinc/77/09/57/583770957.db2.gz AMMCWZDPNARJPZ-UHFFFAOYSA-N 0 0 236.275 2.097 20 5 BEBDRN C[C@H]1C(=O)CCCN1c1ccccc1[N+](=O)[O-] ZINC000896337554 583792663 /nfs/dbraw/zinc/79/26/63/583792663.db2.gz SVYGZDZCQYLVFD-VIFPVBQESA-N 0 0 234.255 2.153 20 5 BEBDRN Cc1cc(N2CC(=O)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000896338642 583793124 /nfs/dbraw/zinc/79/31/24/583793124.db2.gz GQLJLWVVEDAWPT-JTQLQIEISA-N 0 0 248.282 2.461 20 5 BEBDRN C[C@@H]1CCC(=O)CN1c1ccc([N+](=O)[O-])cc1 ZINC000896344756 583795168 /nfs/dbraw/zinc/79/51/68/583795168.db2.gz ODEZBWQJJQTQOO-SECBINFHSA-N 0 0 234.255 2.153 20 5 BEBDRN O=[N+]([O-])c1ccc(SC2COC2)cc1 ZINC000896959374 583863704 /nfs/dbraw/zinc/86/37/04/583863704.db2.gz WJSFCEIURZYGMP-UHFFFAOYSA-N 0 0 211.242 2.086 20 5 BEBDRN O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC000897077832 583878665 /nfs/dbraw/zinc/87/86/65/583878665.db2.gz JXGLQSAGKRHSPX-FHUSYTEZSA-N 0 0 246.266 2.183 20 5 BEBDRN O=[N+]([O-])c1ccsc1NC1CC(CCO)C1 ZINC000897235159 583899684 /nfs/dbraw/zinc/89/96/84/583899684.db2.gz WUSZYTUTNDCSLS-UHFFFAOYSA-N 0 0 242.300 2.229 20 5 BEBDRN C/C=C/COC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000729075498 583951474 /nfs/dbraw/zinc/95/14/74/583951474.db2.gz HIHHZLWOYZHMLL-NSCUHMNNSA-N 0 0 235.239 2.257 20 5 BEBDRN O=[N+]([O-])c1ccccc1N[C@H]1COC[C@H]1C1CC1 ZINC000897442037 583984995 /nfs/dbraw/zinc/98/49/95/583984995.db2.gz OXEVUEDVBSWDNE-JQWIXIFHSA-N 0 0 248.282 2.432 20 5 BEBDRN Cc1ocnc1CNc1cc(N)ccc1[N+](=O)[O-] ZINC000800861641 583999306 /nfs/dbraw/zinc/99/93/06/583999306.db2.gz XYLIGOCHFSGXAS-UHFFFAOYSA-N 0 0 248.242 2.086 20 5 BEBDRN CC[C@H](C)OC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000729893201 584028455 /nfs/dbraw/zinc/02/84/55/584028455.db2.gz CBTSVALZAQLGCX-ZETCQYMHSA-N 0 0 238.243 2.254 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]2C)c1C ZINC000899200263 584180574 /nfs/dbraw/zinc/18/05/74/584180574.db2.gz MRHJFJNGBWHHKI-VIFPVBQESA-N 0 0 248.282 2.446 20 5 BEBDRN CCSc1ccccc1OCC[N+](=O)[O-] ZINC000899231539 584182859 /nfs/dbraw/zinc/18/28/59/584182859.db2.gz RARLEWVNSKKACD-UHFFFAOYSA-N 0 0 227.285 2.454 20 5 BEBDRN Cc1ccc(C)c(OCC[N+](=O)[O-])c1C ZINC000899230001 584183159 /nfs/dbraw/zinc/18/31/59/584183159.db2.gz AXNRBXBYCLLWCI-UHFFFAOYSA-N 0 0 209.245 2.267 20 5 BEBDRN O=[N+]([O-])CCOc1ccc(Cl)c(F)c1 ZINC000899230903 584183248 /nfs/dbraw/zinc/18/32/48/584183248.db2.gz NFDJLHNBANYJPC-UHFFFAOYSA-N 0 0 219.599 2.135 20 5 BEBDRN O=[N+]([O-])c1ccc(-n2cc(C3CCC3)nn2)cc1 ZINC000899683858 584224194 /nfs/dbraw/zinc/22/41/94/584224194.db2.gz YMRRMMFKOFEMFZ-UHFFFAOYSA-N 0 0 244.254 2.443 20 5 BEBDRN O=[N+]([O-])CC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000899873569 584245086 /nfs/dbraw/zinc/24/50/86/584245086.db2.gz RTIXTXVDZODRAZ-NSHDSACASA-N 0 0 240.690 2.194 20 5 BEBDRN CC(C)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000899874065 584245337 /nfs/dbraw/zinc/24/53/37/584245337.db2.gz YLZDJXIZOIINMW-UHFFFAOYSA-N 0 0 222.288 2.176 20 5 BEBDRN CC(C)(CC[NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000899873597 584245526 /nfs/dbraw/zinc/24/55/26/584245526.db2.gz SURHUMBHDSHSJZ-UHFFFAOYSA-N 0 0 236.315 2.221 20 5 BEBDRN C/C=C\CSCc1cn(C)nc1[N+](=O)[O-] ZINC000902323380 584559924 /nfs/dbraw/zinc/55/99/24/584559924.db2.gz TWLNGXIBDAUMKP-ARJAWSKDSA-N 0 0 227.289 2.138 20 5 BEBDRN O=[N+]([O-])c1cnn(C2CC3(CCC3)C2)c1 ZINC000902326900 584561192 /nfs/dbraw/zinc/56/11/92/584561192.db2.gz ZOXAZGBYUWFYTD-UHFFFAOYSA-N 0 0 207.233 2.297 20 5 BEBDRN CCC(=O)OCc1ccc([N+](=O)[O-])cc1F ZINC000746908005 584888306 /nfs/dbraw/zinc/88/83/06/584888306.db2.gz XITMLNLCBKNVLB-UHFFFAOYSA-N 0 0 227.191 2.187 20 5 BEBDRN C[C@H]1C[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H](C)C1 ZINC000842311587 584891971 /nfs/dbraw/zinc/89/19/71/584891971.db2.gz AFRQYOFFFNTQOW-ZKKRXERASA-N 0 0 241.287 2.020 20 5 BEBDRN C[C@@H]1CC[C@H](OC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C[C@@H]1C ZINC000842337797 584892406 /nfs/dbraw/zinc/89/24/06/584892406.db2.gz ISOBCISOWJXDSV-ZKKRXERASA-N 0 0 241.287 2.020 20 5 BEBDRN CC(C)N(C)c1nc2ccccn2c1[N+](=O)[O-] ZINC000733184165 584945007 /nfs/dbraw/zinc/94/50/07/584945007.db2.gz ARRVBZJGXWTULI-UHFFFAOYSA-N 0 0 234.259 2.087 20 5 BEBDRN CC(C)(F)C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000768643095 584951704 /nfs/dbraw/zinc/95/17/04/584951704.db2.gz VALQFVZELAEXFR-UHFFFAOYSA-N 0 0 247.247 2.448 20 5 BEBDRN COC1CN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000733895515 584954604 /nfs/dbraw/zinc/95/46/04/584954604.db2.gz GWOJMEYBFGIAKM-UHFFFAOYSA-N 0 0 242.662 2.083 20 5 BEBDRN C/C=C\C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000737583671 585036688 /nfs/dbraw/zinc/03/66/88/585036688.db2.gz IZVWALCHPBFZMX-RQOWECAXSA-N 0 0 232.239 2.060 20 5 BEBDRN CSCCCOC(=O)c1ccc([N+](=O)[O-])o1 ZINC000744474887 585150826 /nfs/dbraw/zinc/15/08/26/585150826.db2.gz ZKDVUBGFXXLNIY-UHFFFAOYSA-N 0 0 245.256 2.098 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCc1cccc(F)n1 ZINC000747846761 585184941 /nfs/dbraw/zinc/18/49/41/585184941.db2.gz LBEOFYQETHNYGY-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN COC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000752745239 585249583 /nfs/dbraw/zinc/24/95/83/585249583.db2.gz MEMPLWOQUKIVDE-QMMMGPOBSA-N 0 0 238.243 2.320 20 5 BEBDRN CC[C@H](C)COC(=O)c1cc([N+](=O)[O-])cn1C ZINC000756360258 585318160 /nfs/dbraw/zinc/31/81/60/585318160.db2.gz MDVZTOCWBVWOHX-QMMMGPOBSA-N 0 0 240.259 2.136 20 5 BEBDRN COC1(C)CN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000758012996 585348199 /nfs/dbraw/zinc/34/81/99/585348199.db2.gz BXQVQLPSRNNGJI-UHFFFAOYSA-N 0 0 236.271 2.128 20 5 BEBDRN CCOCOc1cc(C)ccc1[N+](=O)[O-] ZINC000758364361 585354776 /nfs/dbraw/zinc/35/47/76/585354776.db2.gz XIZATRTTYMTECC-UHFFFAOYSA-N 0 0 211.217 2.276 20 5 BEBDRN O=[N+]([O-])c1ccc(F)cc1CN1CC[C@H]2C[C@H]21 ZINC000761094208 585408626 /nfs/dbraw/zinc/40/86/26/585408626.db2.gz NHWPAUWEMZSHTF-QPUJVOFHSA-N 0 0 236.246 2.328 20 5 BEBDRN O=C(Oc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000761842001 585419866 /nfs/dbraw/zinc/41/98/66/585419866.db2.gz NYHUVQLVRPGCMF-UHFFFAOYSA-N 0 0 244.206 2.209 20 5 BEBDRN CC(=O)c1c([N+](=O)[O-])cccc1N1CCCC1 ZINC000763205627 585444529 /nfs/dbraw/zinc/44/45/29/585444529.db2.gz BMSVQRJEHCVUJD-UHFFFAOYSA-N 0 0 234.255 2.398 20 5 BEBDRN C[C@H](C(=O)OC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000764073697 585459366 /nfs/dbraw/zinc/45/93/66/585459366.db2.gz AROBESOVYHYDRH-QMMMGPOBSA-N 0 0 235.239 2.404 20 5 BEBDRN C[C@H]1COCCN(c2sccc2[N+](=O)[O-])C1 ZINC000775680412 585683171 /nfs/dbraw/zinc/68/31/71/585683171.db2.gz CBZWDOYXGZOFMQ-MRVPVSSYSA-N 0 0 242.300 2.129 20 5 BEBDRN O=[N+]([O-])c1cnn(Cc2ccc(CF)cc2)c1 ZINC000777535025 585714264 /nfs/dbraw/zinc/71/42/64/585714264.db2.gz JNGOIERXMCHFSF-UHFFFAOYSA-N 0 0 235.218 2.309 20 5 BEBDRN CCON(C)c1cc(C)ccc1[N+](=O)[O-] ZINC000780662594 585782749 /nfs/dbraw/zinc/78/27/49/585782749.db2.gz QRXZMHWWSSLMRD-UHFFFAOYSA-N 0 0 210.233 2.291 20 5 BEBDRN O=C(OCc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000782022643 585806761 /nfs/dbraw/zinc/80/67/61/585806761.db2.gz BDENJJKLCWKJKY-UHFFFAOYSA-N 0 0 239.202 2.187 20 5 BEBDRN O=[N+]([O-])c1cc2ccccc2nc1-n1ccnc1 ZINC000788834712 585931231 /nfs/dbraw/zinc/93/12/31/585931231.db2.gz XRDZKNLFGNYFCL-UHFFFAOYSA-N 0 0 240.222 2.329 20 5 BEBDRN O=[N+]([O-])c1cc(F)ccc1OCc1ncccn1 ZINC000790262599 585961973 /nfs/dbraw/zinc/96/19/73/585961973.db2.gz VLMSFFYXGHIUND-UHFFFAOYSA-N 0 0 249.201 2.103 20 5 BEBDRN CC1(COC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000790810918 585969332 /nfs/dbraw/zinc/96/93/32/585969332.db2.gz XIFGDKKAUMGHQJ-UHFFFAOYSA-N 0 0 249.266 2.481 20 5 BEBDRN O=[N+]([O-])c1ncccc1NCc1cccnc1F ZINC000795228256 586072639 /nfs/dbraw/zinc/07/26/39/586072639.db2.gz BPVVFXNTYBDTEI-UHFFFAOYSA-N 0 0 248.217 2.136 20 5 BEBDRN CC[C@@H]1C[C@H]1Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000797842414 586132907 /nfs/dbraw/zinc/13/29/07/586132907.db2.gz LLPVDJQLGJJKLT-RKDXNWHRSA-N 0 0 246.270 2.453 20 5 BEBDRN Cc1c(CC(=O)OC2CC2)cccc1[N+](=O)[O-] ZINC000802794180 586314917 /nfs/dbraw/zinc/31/49/17/586314917.db2.gz XWOOBIFKTNVJMG-UHFFFAOYSA-N 0 0 235.239 2.151 20 5 BEBDRN Nc1ccc(N2CCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000811842451 586567491 /nfs/dbraw/zinc/56/74/91/586567491.db2.gz CFWNMUPCOAGTSU-UHFFFAOYSA-N 0 0 233.271 2.167 20 5 BEBDRN CCON(C)c1cc(C)c([N+](=O)[O-])cc1F ZINC000812473052 586577888 /nfs/dbraw/zinc/57/78/88/586577888.db2.gz XFTVRUPJYJIXEY-UHFFFAOYSA-N 0 0 228.223 2.430 20 5 BEBDRN CCCc1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812813032 586587233 /nfs/dbraw/zinc/58/72/33/586587233.db2.gz CNLNNFMDOQGJRV-UHFFFAOYSA-N 0 0 227.264 2.010 20 5 BEBDRN CC(C)C[C@H](C)CC(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813102146 586591904 /nfs/dbraw/zinc/59/19/04/586591904.db2.gz OGMCVVKGZVBXSC-UWVGGRQHSA-N 0 0 231.292 2.267 20 5 BEBDRN CCC(CC)(CC)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000813101791 586592106 /nfs/dbraw/zinc/59/21/06/586592106.db2.gz ITVNSMVRQYGJCJ-VIFPVBQESA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@@H](COC(=O)CC1(C)CCCC1)[N+](=O)[O-] ZINC000813104884 586592527 /nfs/dbraw/zinc/59/25/27/586592527.db2.gz SOPBUDQNQKMMDP-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN CCC[C@@H](C)CC(=O)OC[C@@H](C)[N+](=O)[O-] ZINC000813112343 586593719 /nfs/dbraw/zinc/59/37/19/586593719.db2.gz FRYDRWRVLQOSAW-RKDXNWHRSA-N 0 0 217.265 2.021 20 5 BEBDRN CON(C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000813585420 586603900 /nfs/dbraw/zinc/60/39/00/586603900.db2.gz HKLNHSOYGDNROM-UHFFFAOYSA-N 0 0 233.227 2.141 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000814039964 586611725 /nfs/dbraw/zinc/61/17/25/586611725.db2.gz ZJAVSNGPABQTKQ-OPRDCNLKSA-N 0 0 229.276 2.021 20 5 BEBDRN CCc1ccc(C(=O)O[C@@H](C)C[N+](=O)[O-])cc1 ZINC000814038298 586611842 /nfs/dbraw/zinc/61/18/42/586611842.db2.gz BCDIHBDTZDQBFW-VIFPVBQESA-N 0 0 237.255 2.071 20 5 BEBDRN CC[C@@H]1CCCC[C@H]1C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814037017 586611850 /nfs/dbraw/zinc/61/18/50/586611850.db2.gz PGQFQXBTPHLMDW-HBNTYKKESA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](CC(C)(C)C)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814036801 586611943 /nfs/dbraw/zinc/61/19/43/586611943.db2.gz LENKEDRDVUZOLB-BDAKNGLRSA-N 0 0 231.292 2.267 20 5 BEBDRN Cc1cc(C(=O)O[C@@H](C)C[N+](=O)[O-])sc1C ZINC000814044421 586611969 /nfs/dbraw/zinc/61/19/69/586611969.db2.gz PUOWOIZGVWVDBP-ZETCQYMHSA-N 0 0 243.284 2.187 20 5 BEBDRN CC(C)CC(C)(C)C(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814039754 586612352 /nfs/dbraw/zinc/61/23/52/586612352.db2.gz XASFQCMLRXLZRQ-SECBINFHSA-N 0 0 231.292 2.267 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000814039961 586612433 /nfs/dbraw/zinc/61/24/33/586612433.db2.gz ZJAVSNGPABQTKQ-BBBLOLIVSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC(C)(C)C1 ZINC000814039429 586612447 /nfs/dbraw/zinc/61/24/47/586612447.db2.gz PHKFBJMPEXLEFE-ZJUUUORDSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C[C@@H]1CCC[C@@H]1C ZINC000814044383 586612699 /nfs/dbraw/zinc/61/26/99/586612699.db2.gz PHJWGKRQEATFQZ-AEJSXWLSSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CCC1CCCC1 ZINC000814043605 586612822 /nfs/dbraw/zinc/61/28/22/586612822.db2.gz YPIICJKZLJUHJV-VIFPVBQESA-N 0 0 229.276 2.165 20 5 BEBDRN CCC[C@@](C)(CC)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000814045935 586613028 /nfs/dbraw/zinc/61/30/28/586613028.db2.gz CYLCIDLGOQXMAE-GXSJLCMTSA-N 0 0 231.292 2.411 20 5 BEBDRN C[C@@H](C[N+](=O)[O-])OC(=O)CC1CC(C)(C)C1 ZINC000814046648 586613039 /nfs/dbraw/zinc/61/30/39/586613039.db2.gz MTFAXMDKYQZSEE-QMMMGPOBSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCCC1(C)C ZINC000814050415 586613203 /nfs/dbraw/zinc/61/32/03/586613203.db2.gz XBEZKXBZSICHGA-ZJUUUORDSA-N 0 0 243.303 2.411 20 5 BEBDRN CCC1CN(c2ccc([N+](=O)[O-])cc2)C1 ZINC000840320101 586622006 /nfs/dbraw/zinc/62/20/06/586622006.db2.gz JKOXBSSQFBBVDN-UHFFFAOYSA-N 0 0 206.245 2.441 20 5 BEBDRN C=C=CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000820586893 587056920 /nfs/dbraw/zinc/05/69/20/587056920.db2.gz WBFITWCBSZYSDE-UHFFFAOYSA-N 0 0 248.238 2.134 20 5 BEBDRN C=C=CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000820586863 587056985 /nfs/dbraw/zinc/05/69/85/587056985.db2.gz UTBQVVAOWKHPMV-UHFFFAOYSA-N 0 0 235.199 2.256 20 5 BEBDRN Cc1ccc(N2Cc3c[nH]nc3C2)c([N+](=O)[O-])c1 ZINC000820592028 587057143 /nfs/dbraw/zinc/05/71/43/587057143.db2.gz UJAHDZCANHBGFR-UHFFFAOYSA-N 0 0 244.254 2.147 20 5 BEBDRN Cc1ncoc1CNc1ncc([N+](=O)[O-])cc1C ZINC000820591548 587057124 /nfs/dbraw/zinc/05/71/24/587057124.db2.gz LDDJFZYJQLIYKC-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Cc1ncoc1CNc1nccc(C)c1[N+](=O)[O-] ZINC000820591245 587057320 /nfs/dbraw/zinc/05/73/20/587057320.db2.gz FUZVTKVEQLZADJ-UHFFFAOYSA-N 0 0 248.242 2.207 20 5 BEBDRN Nc1ccc(/C=C\c2ccc([N+](=O)[O-])cn2)cn1 ZINC000821037978 587089832 /nfs/dbraw/zinc/08/98/32/587089832.db2.gz FTCSGDSSQVXQIA-IWQZZHSRSA-N 0 0 242.238 2.137 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1CCCC[C@@H]1C ZINC000821201290 587101077 /nfs/dbraw/zinc/10/10/77/587101077.db2.gz BSUBIUVDODDALC-IVZWLZJFSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@H]1CCCC[C@H]1C ZINC000821201289 587101210 /nfs/dbraw/zinc/10/12/10/587101210.db2.gz BSUBIUVDODDALC-BBBLOLIVSA-N 0 0 229.276 2.021 20 5 BEBDRN CCC(CC)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822175719 587157649 /nfs/dbraw/zinc/15/76/49/587157649.db2.gz IFEDPHGMRCLTRT-UHFFFAOYSA-N 0 0 230.308 2.127 20 5 BEBDRN CC[C@@H](C)[C@@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822752567 587184004 /nfs/dbraw/zinc/18/40/04/587184004.db2.gz LXNZJZNNGSRSLL-NXEZZACHSA-N 0 0 244.335 2.373 20 5 BEBDRN C[C@@H]1C[C@H](C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000826016391 587348377 /nfs/dbraw/zinc/34/83/77/587348377.db2.gz JCYLVGFZVUXIJK-VHSXEESVSA-N 0 0 242.319 2.079 20 5 BEBDRN CN(CCC1CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827159644 587371682 /nfs/dbraw/zinc/37/16/82/587371682.db2.gz HNWDJBUTLHVXSC-UHFFFAOYSA-N 0 0 242.319 2.080 20 5 BEBDRN CC(C)C[C@H](C)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000827229824 587373317 /nfs/dbraw/zinc/37/33/17/587373317.db2.gz AGLCTWAVGSALSS-JTQLQIEISA-N 0 0 244.335 2.373 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1CC2(CC2)C1 ZINC000828365399 587438638 /nfs/dbraw/zinc/43/86/38/587438638.db2.gz UVIWOTCOEYJZJO-UHFFFAOYSA-N 0 0 210.258 2.257 20 5 BEBDRN O=[N+]([O-])c1cc(F)c(N2CC[C@H](F)C2)c(F)c1 ZINC000828448941 587443169 /nfs/dbraw/zinc/44/31/69/587443169.db2.gz NKIIDRPBBOTQBJ-LURJTMIESA-N 0 0 246.188 2.421 20 5 BEBDRN C[C@H](O)CCOc1ccc([N+](=O)[O-])c(F)c1F ZINC000829884432 587527331 /nfs/dbraw/zinc/52/73/31/587527331.db2.gz WAIRUJJXUPAKNN-LURJTMIESA-N 0 0 247.197 2.023 20 5 BEBDRN CC(C)(F)COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835334906 587796951 /nfs/dbraw/zinc/79/69/51/587796951.db2.gz JBUOHVIUMMYWIS-UHFFFAOYSA-N 0 0 235.255 2.113 20 5 BEBDRN C[C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C(F)F ZINC000835337165 587797228 /nfs/dbraw/zinc/79/72/28/587797228.db2.gz OXTXDYZPTOSJIN-ZCFIWIBFSA-N 0 0 239.218 2.019 20 5 BEBDRN C[C@H](COC(=O)[C@@]1(C)CCC[C@H]1C)[N+](=O)[O-] ZINC000835455082 587802964 /nfs/dbraw/zinc/80/29/64/587802964.db2.gz MJSFZRBULZKESO-KKZNHRDASA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H](COC(=O)C1=CCC(C)(C)CC1)[N+](=O)[O-] ZINC000835456166 587803253 /nfs/dbraw/zinc/80/32/53/587803253.db2.gz SCCWGZDDYLXLDF-SECBINFHSA-N 0 0 241.287 2.331 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@]1(C)CCC[C@H]1C ZINC000835466879 587803662 /nfs/dbraw/zinc/80/36/62/587803662.db2.gz LUGBOWXKJDUKEF-FXPVBKGRSA-N 0 0 229.276 2.021 20 5 BEBDRN CS[C@@H](C)COC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000835692296 587813343 /nfs/dbraw/zinc/81/33/43/587813343.db2.gz RLFNQDJKPWBOAV-QMMMGPOBSA-N 0 0 249.332 2.117 20 5 BEBDRN Cc1cc([N+](=O)[O-])c(C(=O)N(C)C)cc1Cl ZINC000836298354 587830127 /nfs/dbraw/zinc/83/01/27/587830127.db2.gz NVYGDMBHQUUQPC-UHFFFAOYSA-N 0 0 242.662 2.258 20 5 BEBDRN CCC[C@H](C)[C@@H](C)OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842341115 588019215 /nfs/dbraw/zinc/01/92/15/588019215.db2.gz WVNPCZKLUPDCFP-SGIHWFKDSA-N 0 0 229.276 2.020 20 5 BEBDRN Cc1cc(-c2noc([C@@H]3CC3[N+](=O)[O-])n2)c(C)o1 ZINC000842498562 588031254 /nfs/dbraw/zinc/03/12/54/588031254.db2.gz DPAXVAFBNQRTAM-RKDXNWHRSA-N 0 0 249.226 2.079 20 5 BEBDRN C[S@](=O)CCSc1cccc([N+](=O)[O-])c1 ZINC000842571728 588043290 /nfs/dbraw/zinc/04/32/90/588043290.db2.gz OYMPLVLFUTZNJN-HNNXBMFYSA-N 0 0 245.325 2.065 20 5 BEBDRN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC(C)C ZINC000843749289 588137419 /nfs/dbraw/zinc/13/74/19/588137419.db2.gz HQDCMPATHLRTCR-UHFFFAOYSA-N 0 0 240.234 2.181 20 5 BEBDRN CCN(C)C(=O)c1c(C)c(F)ccc1[N+](=O)[O-] ZINC000843763269 588138246 /nfs/dbraw/zinc/13/82/46/588138246.db2.gz KHKOWBOARJXVRV-UHFFFAOYSA-N 0 0 240.234 2.134 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(F)F ZINC000844314385 588183517 /nfs/dbraw/zinc/18/35/17/588183517.db2.gz PHLNRXDQPNHZEI-UHFFFAOYSA-N 0 0 244.197 2.415 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC000845578142 588233894 /nfs/dbraw/zinc/23/38/94/588233894.db2.gz WDDXRYHCUHIQDB-DVVUODLYSA-N 0 0 241.287 2.021 20 5 BEBDRN CCCC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000005819625 588280574 /nfs/dbraw/zinc/28/05/74/588280574.db2.gz BHLGNSYVXYRYCK-UHFFFAOYSA-N 0 0 223.228 2.438 20 5 BEBDRN CCCNc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000849160354 588458024 /nfs/dbraw/zinc/45/80/24/588458024.db2.gz VWEAVONUFBVSQB-UHFFFAOYSA-N 0 0 248.242 2.467 20 5 BEBDRN CC(C)=CCCn1cc([N+](=O)[O-])cc(F)c1=O ZINC000849926023 588509728 /nfs/dbraw/zinc/50/97/28/588509728.db2.gz YUDVMVLCMZOZMN-UHFFFAOYSA-N 0 0 240.234 2.252 20 5 BEBDRN C[C@@H](COC(=O)[C@H]1CCCC2(CC2)C1)[N+](=O)[O-] ZINC000851036546 588585714 /nfs/dbraw/zinc/58/57/14/588585714.db2.gz KGFGTRFKAWODLD-UWVGGRQHSA-N 0 0 241.287 2.165 20 5 BEBDRN C[C@H](C[N+](=O)[O-])OC(=O)C1CCC2(CC2)CC1 ZINC000851044989 588586692 /nfs/dbraw/zinc/58/66/92/588586692.db2.gz IMXTZBAOXQWSOH-SECBINFHSA-N 0 0 241.287 2.165 20 5 BEBDRN C[C@H](CC(=O)OCC(C)(C)[N+](=O)[O-])C1CC1 ZINC000851125185 588592197 /nfs/dbraw/zinc/59/21/97/588592197.db2.gz AFVBTLXGFBXTRO-MRVPVSSYSA-N 0 0 229.276 2.021 20 5 BEBDRN CCC(C)(C)C(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851127010 588592618 /nfs/dbraw/zinc/59/26/18/588592618.db2.gz WBUNSPQKWWQMKU-UHFFFAOYSA-N 0 0 217.265 2.021 20 5 BEBDRN C[C@@H]1CC[C@H](CC(=O)OCC(C)(C)[N+](=O)[O-])C1 ZINC000851125591 588592811 /nfs/dbraw/zinc/59/28/11/588592811.db2.gz FGHJSAGNMUXVPU-ZJUUUORDSA-N 0 0 243.303 2.411 20 5 BEBDRN CC(C)(COC(=O)C1CC(C)(C)C1)[N+](=O)[O-] ZINC000851128708 588592975 /nfs/dbraw/zinc/59/29/75/588592975.db2.gz CHULLZWTRATNCH-UHFFFAOYSA-N 0 0 229.276 2.021 20 5 BEBDRN C[C@H]1CCC[C@H]1CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128331 588593153 /nfs/dbraw/zinc/59/31/53/588593153.db2.gz RHLPDEGXVKYLHL-UWVGGRQHSA-N 0 0 243.303 2.411 20 5 BEBDRN C[C@H]1CCC[C@@H]1CC(=O)OCC(C)(C)[N+](=O)[O-] ZINC000851128332 588593165 /nfs/dbraw/zinc/59/31/65/588593165.db2.gz RHLPDEGXVKYLHL-VHSXEESVSA-N 0 0 243.303 2.411 20 5 BEBDRN O=[N+]([O-])c1ccc(OC[C@H]2CCCO2)cc1F ZINC000110049219 588609842 /nfs/dbraw/zinc/60/98/42/588609842.db2.gz UNLDEZFOHVDWQJ-SECBINFHSA-N 0 0 241.218 2.292 20 5 BEBDRN Cc1cc(C(=O)OCCC[N+](=O)[O-])c(C)s1 ZINC000860912464 589131316 /nfs/dbraw/zinc/13/13/16/589131316.db2.gz PGZWLYFTNAMEOZ-UHFFFAOYSA-N 0 0 243.284 2.189 20 5 BEBDRN CC(C)C[C@@H](C)CC(=O)OCCC[N+](=O)[O-] ZINC000860915124 589131531 /nfs/dbraw/zinc/13/15/31/589131531.db2.gz BPLHSHOUSWEAQE-SNVBAGLBSA-N 0 0 231.292 2.269 20 5 BEBDRN C[C@@H]1CCC[C@@H](C(=O)OCCC[N+](=O)[O-])C1 ZINC000860915305 589131546 /nfs/dbraw/zinc/13/15/46/589131546.db2.gz QSUQEYSLQWVGRP-NXEZZACHSA-N 0 0 229.276 2.023 20 5 BEBDRN CCC[C@@H](C)CC(=O)OCCC[N+](=O)[O-] ZINC000860915492 589131717 /nfs/dbraw/zinc/13/17/17/589131717.db2.gz GKQHEEXCSNLNJK-SECBINFHSA-N 0 0 217.265 2.023 20 5 BEBDRN C[C@H]1CCC[C@@]1(C)C(=O)OCCC[N+](=O)[O-] ZINC000860918615 589131770 /nfs/dbraw/zinc/13/17/70/589131770.db2.gz AXTNWYFBIRUFPF-GXSJLCMTSA-N 0 0 229.276 2.023 20 5 BEBDRN C[C@@H]1CC[C@H](C(=O)OCCC[N+](=O)[O-])C[C@H]1C ZINC000860918259 589131955 /nfs/dbraw/zinc/13/19/55/589131955.db2.gz DNZLIWBLFPHYGL-MXWKQRLJSA-N 0 0 243.303 2.269 20 5 BEBDRN CC[C@@H]1CCC[C@@H]1C(=O)OCCC[N+](=O)[O-] ZINC000860918599 589132332 /nfs/dbraw/zinc/13/23/32/589132332.db2.gz MWKYHNCWMRQXNM-ZJUUUORDSA-N 0 0 229.276 2.023 20 5 BEBDRN C[C@H](C(=O)OCCC[N+](=O)[O-])c1ccccc1 ZINC000860921765 589132485 /nfs/dbraw/zinc/13/24/85/589132485.db2.gz WPHDTCMMWPPYOY-JTQLQIEISA-N 0 0 237.255 2.000 20 5 BEBDRN CC1=CC[C@@](C)(C(=O)OCCC[N+](=O)[O-])CC1 ZINC000860922088 589132944 /nfs/dbraw/zinc/13/29/44/589132944.db2.gz HBWMGMNLZQXCAA-GFCCVEGCSA-N 0 0 241.287 2.333 20 5 BEBDRN O=C(O[C@@H]1CCC=CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000861228622 589153544 /nfs/dbraw/zinc/15/35/44/589153544.db2.gz LRFNJDVJKPNDBL-GMTAPVOTSA-N 0 0 239.271 2.084 20 5 BEBDRN C[C@@H]1CCCC[C@@H]1Cn1ncc([N+](=O)[O-])n1 ZINC000863371225 589284317 /nfs/dbraw/zinc/28/43/17/589284317.db2.gz KSQSKJLLKFUZPL-RKDXNWHRSA-N 0 0 224.264 2.013 20 5 BEBDRN Nc1ccc(NC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000863972392 589330639 /nfs/dbraw/zinc/33/06/39/589330639.db2.gz RWFIJDZTFNAEBV-UHFFFAOYSA-N 0 0 247.210 2.022 20 5 BEBDRN Cc1ccc(CNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000864492800 589374410 /nfs/dbraw/zinc/37/44/10/589374410.db2.gz RVUHWCMCVUCPHG-UHFFFAOYSA-N 0 0 236.271 2.175 20 5 BEBDRN CC(C)/C=C\c1cn(CC(C)(C)[N+](=O)[O-])nn1 ZINC000864642251 589386970 /nfs/dbraw/zinc/38/69/70/589386970.db2.gz LEFANOGLJVJKQH-WAYWQWQTSA-N 0 0 238.291 2.003 20 5 BEBDRN O=[N+]([O-])c1cn(CC2CC3(CCC3)C2)cn1 ZINC000865350652 589423474 /nfs/dbraw/zinc/42/34/74/589423474.db2.gz OYWLQYYSWYRENU-UHFFFAOYSA-N 0 0 221.260 2.372 20 5 BEBDRN C[C@H](Cn1cnc([N+](=O)[O-])n1)CC(C)(C)C ZINC000865354842 589424541 /nfs/dbraw/zinc/42/45/41/589424541.db2.gz XMJJJDGZZNLNIZ-QMMMGPOBSA-N 0 0 226.280 2.259 20 5 BEBDRN C[C@@H](Cn1cccc([N+](=O)[O-])c1=O)C(C)(C)C ZINC000865354543 589424585 /nfs/dbraw/zinc/42/45/85/589424585.db2.gz VERPJXDIRSNXHJ-VIFPVBQESA-N 0 0 238.287 2.439 20 5 BEBDRN O=c1c(F)cc([N+](=O)[O-])cn1CCCC1CC1 ZINC000865370047 589427480 /nfs/dbraw/zinc/42/74/80/589427480.db2.gz MGTGRHWXLWSQHJ-UHFFFAOYSA-N 0 0 240.234 2.086 20 5 BEBDRN CCCCNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865398990 589432364 /nfs/dbraw/zinc/43/23/64/589432364.db2.gz FYKVANLZFFLGQH-UHFFFAOYSA-N 0 0 242.250 2.438 20 5 BEBDRN C[C@@H]1C[C@H]1Nc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865504384 589441543 /nfs/dbraw/zinc/44/15/43/589441543.db2.gz MLSADFBRYQALGL-HZGVNTEJSA-N 0 0 240.234 2.047 20 5 BEBDRN O=[N+]([O-])c1sccc1N1CC[C@H]2C[C@H]21 ZINC000865756430 589461271 /nfs/dbraw/zinc/46/12/71/589461271.db2.gz NQQZRCYBQNKKBJ-POYBYMJQSA-N 0 0 210.258 2.255 20 5 BEBDRN CS[C@H]1C[C@H](Nc2ncccc2[N+](=O)[O-])C1 ZINC000866101975 589476117 /nfs/dbraw/zinc/47/61/17/589476117.db2.gz YBMQCFBCVUMDMO-ZKCHVHJHSA-N 0 0 239.300 2.296 20 5 BEBDRN C[C@H](NCCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872070443 589864240 /nfs/dbraw/zinc/86/42/40/589864240.db2.gz ZVTPVAFFLPCQGW-ZETCQYMHSA-N 0 0 230.214 2.354 20 5 BEBDRN CCC[C@@H](CC)C(=O)O[C@@H](C)C[N+](=O)[O-] ZINC000873533505 590053518 /nfs/dbraw/zinc/05/35/18/590053518.db2.gz AYNIQYYKCUOYSL-DTWKUNHWSA-N 0 0 217.265 2.021 20 5 BEBDRN CCC[C@@H](CC)C(=O)OC[C@H](C)[N+](=O)[O-] ZINC000873532868 590054751 /nfs/dbraw/zinc/05/47/51/590054751.db2.gz ORMZFLNLPQXFAC-DTWKUNHWSA-N 0 0 217.265 2.021 20 5 BEBDRN Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCCC1 ZINC000873724164 590068594 /nfs/dbraw/zinc/06/85/94/590068594.db2.gz VYEHRZCNTDRKQN-UHFFFAOYSA-N 0 0 248.282 2.448 20 5 BEBDRN O=C(N[C@H]1CC12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000874792407 590137138 /nfs/dbraw/zinc/13/71/38/590137138.db2.gz VUORMBMCHIVLOM-NSHDSACASA-N 0 0 246.266 2.267 20 5 BEBDRN Cc1ccc(C(=O)OCCF)cc1[N+](=O)[O-] ZINC000125587413 590171697 /nfs/dbraw/zinc/17/16/97/590171697.db2.gz YQAZPDRKKWSLCI-UHFFFAOYSA-N 0 0 227.191 2.030 20 5 BEBDRN Cc1ccc([N+](=O)[O-])cc1OCCOC1CC1 ZINC000877887400 590439587 /nfs/dbraw/zinc/43/95/87/590439587.db2.gz KVAFVOQLFAWRMT-UHFFFAOYSA-N 0 0 237.255 2.461 20 5 BEBDRN C[C@@H]1CCCN(c2ccnc(F)c2[N+](=O)[O-])C1 ZINC000881734748 591268221 /nfs/dbraw/zinc/26/82/21/591268221.db2.gz QNQUCWSZRUTQNL-MRVPVSSYSA-N 0 0 239.250 2.365 20 5 BEBDRN C[C@@H]1CCCN1c1ccnc(F)c1[N+](=O)[O-] ZINC000882036602 591290303 /nfs/dbraw/zinc/29/03/03/591290303.db2.gz HQNQVIBNBAYDRM-SSDOTTSWSA-N 0 0 225.223 2.118 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1N1CCC[C@@H](F)C1 ZINC000882311358 591327880 /nfs/dbraw/zinc/32/78/80/591327880.db2.gz LNJJNYZTXTYYAA-SSDOTTSWSA-N 0 0 243.213 2.067 20 5 BEBDRN O=[N+]([O-])c1c(F)nccc1N1CCC2(CC2)C1 ZINC000882312153 591328742 /nfs/dbraw/zinc/32/87/42/591328742.db2.gz ZIQVYIXYOPZIEF-UHFFFAOYSA-N 0 0 237.234 2.119 20 5 BEBDRN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](CF)C1 ZINC000882842080 591451858 /nfs/dbraw/zinc/45/18/58/591451858.db2.gz MIDMKMKWCIEDMT-SECBINFHSA-N 0 0 239.250 2.094 20 5 BEBDRN C=C/C=C\CCOC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000884535133 591970422 /nfs/dbraw/zinc/97/04/22/591970422.db2.gz WVLRCNCDBBDRMV-WAYWQWQTSA-N 0 0 241.287 2.497 20 5 BEBDRN O=[N+]([O-])c1cncc(Cl)c1N1C[C@@H]2C[C@@H]2C1 ZINC000884589668 591989173 /nfs/dbraw/zinc/98/91/73/591989173.db2.gz GRCNTMRNTMRLKF-KNVOCYPGSA-N 0 0 239.662 2.099 20 5 BEBDRN O=[N+]([O-])c1ccsc1N1C[C@@H]2C[C@@H]2C1 ZINC000884590338 591989482 /nfs/dbraw/zinc/98/94/82/591989482.db2.gz UELJNMFLITYIGB-KNVOCYPGSA-N 0 0 210.258 2.112 20 5 BEBDRN O=C(N[C@@H]1C=CCC1)c1ccccc1[N+](=O)[O-] ZINC000001579783 592084018 /nfs/dbraw/zinc/08/40/18/592084018.db2.gz OQAOHLRCFCKZKF-SECBINFHSA-N 0 0 232.239 2.043 20 5 BEBDRN O=[N+]([O-])c1ncccc1CN1CCCC2(CC2)C1 ZINC000886140255 592161818 /nfs/dbraw/zinc/16/18/18/592161818.db2.gz CVSOJDVLIBQCIK-UHFFFAOYSA-N 0 0 247.298 2.366 20 5 BEBDRN O=[N+]([O-])c1ncccc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000886272630 592192818 /nfs/dbraw/zinc/19/28/18/592192818.db2.gz WOXIZBGKJMWSHJ-JQWIXIFHSA-N 0 0 247.298 2.364 20 5 BEBDRN CCCOC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000137573971 592202537 /nfs/dbraw/zinc/20/25/37/592202537.db2.gz LLVCZXKKXCZPBQ-UHFFFAOYSA-N 0 0 239.227 2.170 20 5 BEBDRN COC(=O)/C=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000138105700 592234071 /nfs/dbraw/zinc/23/40/71/592234071.db2.gz XEBKNSFJJKGSSC-BQYQJAHWSA-N 0 0 221.212 2.171 20 5 BEBDRN CC1(C)C[C@H]1Nc1ccncc1[N+](=O)[O-] ZINC000045135720 634484057 /nfs/dbraw/zinc/48/40/57/634484057.db2.gz DXYXCSFQRRACRO-SECBINFHSA-N 0 0 207.233 2.200 20 5 BEBDRN C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000111290074 634529087 /nfs/dbraw/zinc/52/90/87/634529087.db2.gz SFYDKODDSZAGQZ-ZCFIWIBFSA-N 0 0 246.213 2.325 20 5 BEBDRN O=[N+]([O-])c1ccc(CNCCF)cc1Cl ZINC000308926224 631745925 /nfs/dbraw/zinc/74/59/25/631745925.db2.gz KSDCRLSYZZGXEF-UHFFFAOYSA-N 0 0 232.642 2.307 20 5 BEBDRN C[C@H]1C[C@@H]1CNc1ccc(N)cc1[N+](=O)[O-] ZINC000309241578 631983010 /nfs/dbraw/zinc/98/30/10/631983010.db2.gz AWFJCGOIVXBEOK-JGVFFNPUSA-N 0 0 221.260 2.245 20 5 BEBDRN O=[N+]([O-])c1ccc(CSC2COC2)c(F)c1 ZINC000309314992 631991384 /nfs/dbraw/zinc/99/13/84/631991384.db2.gz NKOHUVWJCHCTBS-UHFFFAOYSA-N 0 0 243.259 2.366 20 5 BEBDRN COC[C@H](C)CNc1cccc(F)c1[N+](=O)[O-] ZINC000044477136 632109472 /nfs/dbraw/zinc/10/94/72/632109472.db2.gz UKUNBZPXPKYICG-MRVPVSSYSA-N 0 0 242.250 2.428 20 5 BEBDRN Cc1cc(F)cc(C(=O)NC(C)C)c1[N+](=O)[O-] ZINC000176678162 632116241 /nfs/dbraw/zinc/11/62/41/632116241.db2.gz XVKKLBKQEOTELN-UHFFFAOYSA-N 0 0 240.234 2.181 20 5 BEBDRN Nc1ccc([N+](=O)[O-])c(NCCCCF)c1 ZINC000309642206 632610683 /nfs/dbraw/zinc/61/06/83/632610683.db2.gz UVIRYEWAMKBAPB-UHFFFAOYSA-N 0 0 227.239 2.339 20 5 BEBDRN C[C@H]1CC[C@H](Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC000892420178 632664735 /nfs/dbraw/zinc/66/47/35/632664735.db2.gz MZPUZFKXOUZYQR-KYZUINATSA-N 0 0 238.291 2.319 20 5 BEBDRN Cc1ccc(OC[C@H](O)C(C)C)c([N+](=O)[O-])c1 ZINC000310070359 632697167 /nfs/dbraw/zinc/69/71/67/632697167.db2.gz LOZULWUIMNTVFM-NSHDSACASA-N 0 0 239.271 2.299 20 5 BEBDRN Cc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C(C)C ZINC000310059232 632697895 /nfs/dbraw/zinc/69/78/95/632697895.db2.gz HVTDQULFVAXUSL-LLVKDONJSA-N 0 0 239.271 2.299 20 5 BEBDRN COc1cc([N+](=O)[O-])cnc1N[C@H]1C=CCC1 ZINC000894522558 635906645 /nfs/dbraw/zinc/90/66/45/635906645.db2.gz KPLKVWPQMAGALO-QMMMGPOBSA-N 0 0 235.243 2.129 20 5 BEBDRN CCC[C@H](C)CC(=O)O[C@H](C)C[N+](=O)[O-] ZINC000814043943 635748820 /nfs/dbraw/zinc/74/88/20/635748820.db2.gz LZJOAUGPBFIOPM-DTWKUNHWSA-N 0 0 217.265 2.021 20 5 BEBDRN CN(CC(F)F)c1ccc([N+](=O)[O-])cc1F ZINC000728911110 636409140 /nfs/dbraw/zinc/40/91/40/636409140.db2.gz QWWJTXNALVQBDM-UHFFFAOYSA-N 0 0 234.177 2.435 20 5 BEBDRN CCCOC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000035101683 636740325 /nfs/dbraw/zinc/74/03/25/636740325.db2.gz DHDAXJJMFJAUKB-UHFFFAOYSA-N 0 0 223.228 2.470 20 5 BEBDRN O=[N+]([O-])CCN1CCC[C@H]1c1ccc(F)cc1 ZINC000929160262 636861672 /nfs/dbraw/zinc/86/16/72/636861672.db2.gz DPZQIOZIZZDHOJ-LBPRGKRZSA-N 0 0 238.262 2.239 20 5 BEBDRN C[C@H](c1ccc(F)c(F)c1)N(C)CC[N+](=O)[O-] ZINC000929161463 636865320 /nfs/dbraw/zinc/86/53/20/636865320.db2.gz ZVDVHZOEBQWCCS-MRVPVSSYSA-N 0 0 244.241 2.234 20 5 BEBDRN Cc1c2ccccc2oc1CNCC[N+](=O)[O-] ZINC000905121512 637627243 /nfs/dbraw/zinc/62/72/43/637627243.db2.gz MWIWTKPQNFNTDF-UHFFFAOYSA-N 0 0 234.255 2.108 20 5 BEBDRN CC(C)OCc1ccc(NCC[N+](=O)[O-])cc1 ZINC000905316433 637742811 /nfs/dbraw/zinc/74/28/11/637742811.db2.gz WKBUNBYIOVNXPP-UHFFFAOYSA-N 0 0 238.287 2.300 20 5 BEBDRN O=[N+]([O-])CCNc1ccc(CC(F)(F)F)cc1 ZINC000905324423 637750771 /nfs/dbraw/zinc/75/07/71/637750771.db2.gz LAPLHRYOLBVBLU-UHFFFAOYSA-N 0 0 248.204 2.480 20 5 BEBDRN O=[N+]([O-])CCNc1cccc2c1CCCC2 ZINC000905301679 637761884 /nfs/dbraw/zinc/76/18/84/637761884.db2.gz RKPPXSLORUNNTG-UHFFFAOYSA-N 0 0 220.272 2.254 20 5 BEBDRN COc1cc(SC)ccc1NCC[N+](=O)[O-] ZINC000905335135 637780729 /nfs/dbraw/zinc/78/07/29/637780729.db2.gz IHPMSCGEZWHDAI-UHFFFAOYSA-N 0 0 242.300 2.106 20 5 BEBDRN C[C@@H](C(=O)N1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000910015494 639332517 /nfs/dbraw/zinc/33/25/17/639332517.db2.gz KLXGAMXJYCYFPO-SNVBAGLBSA-N 0 0 246.266 2.097 20 5 BEBDRN O=[N+]([O-])CCN1CCc2sc(Cl)cc2C1 ZINC000930811490 639913968 /nfs/dbraw/zinc/91/39/68/639913968.db2.gz WRFBKEKPNCZKBA-UHFFFAOYSA-N 0 0 246.719 2.036 20 5 BEBDRN CCC[C@@H]1CCCN1c1c([N+](=O)[O-])ncn1C ZINC000912463751 640070325 /nfs/dbraw/zinc/07/03/25/640070325.db2.gz NVKUJUPDQYICET-SECBINFHSA-N 0 0 238.291 2.097 20 5 BEBDRN CC[C@H](C)Nc1nc2ccccn2c1[N+](=O)[O-] ZINC000029161376 640182406 /nfs/dbraw/zinc/18/24/06/640182406.db2.gz WDFROKUPGOHBAL-QMMMGPOBSA-N 0 0 234.259 2.453 20 5 BEBDRN O=C(OCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151196112 640330204 /nfs/dbraw/zinc/33/02/04/640330204.db2.gz CHJIXDCECLYVLY-UHFFFAOYSA-N 0 0 235.239 2.091 20 5 BEBDRN C[C@H](CO)COc1cc([N+](=O)[O-])ccc1Cl ZINC000155242821 641561257 /nfs/dbraw/zinc/56/12/57/641561257.db2.gz RDAWTSDZVDMIHM-SSDOTTSWSA-N 0 0 245.662 2.255 20 5 BEBDRN O=[N+]([O-])c1cn(CCOC2CCCCC2)cn1 ZINC000916559112 641947864 /nfs/dbraw/zinc/94/78/64/641947864.db2.gz ZFRIRZIZINIZMY-UHFFFAOYSA-N 0 0 239.275 2.141 20 5 BEBDRN O=[N+]([O-])c1ccnn1C1CC2(CCC2)C1 ZINC000916723402 641970674 /nfs/dbraw/zinc/97/06/74/641970674.db2.gz RTBCEAFMBRHHLY-UHFFFAOYSA-N 0 0 207.233 2.297 20 5 BEBDRN O=c1c([N+](=O)[O-])cccn1CC[C@@H]1C[C@H]1C1CC1 ZINC000916831942 641978484 /nfs/dbraw/zinc/97/84/84/641978484.db2.gz GWOQQRBTEOPTFN-MNOVXSKESA-N 0 0 248.282 2.193 20 5 BEBDRN O=c1c([N+](=O)[O-])cccn1C1CC2(CCC2)C1 ZINC000916832375 641979737 /nfs/dbraw/zinc/97/97/37/641979737.db2.gz PEUJLIBKJYZDLW-UHFFFAOYSA-N 0 0 234.255 2.262 20 5 BEBDRN CC1(C)CCC[C@H](n2ccnc2[N+](=O)[O-])C1=O ZINC000918385376 642193513 /nfs/dbraw/zinc/19/35/13/642193513.db2.gz AZFCAPCWDRJTTC-QMMMGPOBSA-N 0 0 237.259 2.112 20 5 BEBDRN O=[N+]([O-])c1nccn1CC1CC2(CCC2)C1 ZINC000918396646 642193804 /nfs/dbraw/zinc/19/38/04/642193804.db2.gz LZUIEYXTZDESQA-UHFFFAOYSA-N 0 0 221.260 2.372 20 5 BEBDRN Cc1ccc(Cn2ccnc2[N+](=O)[O-])c(C)c1 ZINC000918385370 642194228 /nfs/dbraw/zinc/19/42/28/642194228.db2.gz AUCBBSMDILIXQU-UHFFFAOYSA-N 0 0 231.255 2.456 20 5 BEBDRN CC(C)C(=O)OCc1cc(F)ccc1[N+](=O)[O-] ZINC000918851720 642277045 /nfs/dbraw/zinc/27/70/45/642277045.db2.gz JVCWKQBPAZWYEE-UHFFFAOYSA-N 0 0 241.218 2.433 20 5 BEBDRN C[C@@H]1C[C@@H]1C(=O)OCc1csc([N+](=O)[O-])c1 ZINC000918866983 642277899 /nfs/dbraw/zinc/27/78/99/642277899.db2.gz ZJMUGPJNPXYDBL-SVRRBLITSA-N 0 0 241.268 2.356 20 5 BEBDRN O=[N+]([O-])c1ccc(/C=C\Sc2nc[nH]n2)o1 ZINC000920390358 642493533 /nfs/dbraw/zinc/49/35/33/642493533.db2.gz IGRGXVDCAYRTGJ-ARJAWSKDSA-N 0 0 238.228 2.069 20 5 BEBDRN C[C@@H]1C[C@@H]1COC(=O)c1ccccc1[N+](=O)[O-] ZINC000067902267 642718072 /nfs/dbraw/zinc/71/80/72/642718072.db2.gz SHGRKALCECIQTG-RKDXNWHRSA-N 0 0 235.239 2.408 20 5 BEBDRN CN(c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000804779744 643361371 /nfs/dbraw/zinc/36/13/71/643361371.db2.gz JEOSFRJVPZVBNX-LBPRGKRZSA-N 0 0 236.271 2.210 20 5 BEBDRN COC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000079062113 644148854 /nfs/dbraw/zinc/14/88/54/644148854.db2.gz WYNAFSNSDZPJDF-UHFFFAOYSA-N 0 0 247.609 2.103 20 5 BEBDRN O=C(OC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000079169501 644157273 /nfs/dbraw/zinc/15/72/73/644157273.db2.gz ODIZMRJXTUBZOR-UHFFFAOYSA-N 0 0 221.212 2.304 20 5 BEBDRN CCCCN(C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000074172507 644290879 /nfs/dbraw/zinc/29/08/79/644290879.db2.gz JHROEUAQYFECNM-UHFFFAOYSA-N 0 0 240.307 2.098 20 5 BEBDRN CSCCOc1cc(C=O)ccc1[N+](=O)[O-] ZINC000090999820 644609865 /nfs/dbraw/zinc/60/98/65/644609865.db2.gz DAUUFSRQRZGHKB-UHFFFAOYSA-N 0 0 241.268 2.149 20 5 BEBDRN CC(C)[C@H]1CCN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000828555654 645105751 /nfs/dbraw/zinc/10/57/51/645105751.db2.gz PEKSVBDYDMCVPG-SNVBAGLBSA-N 0 0 242.319 2.079 20 5 BEBDRN CCCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000929221934 646019405 /nfs/dbraw/zinc/01/94/05/646019405.db2.gz PPIRKDFHBFJFOC-RYUDHWBXSA-N 0 0 248.282 2.225 20 5 BEBDRN O=[N+]([O-])CC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000929588760 646187671 /nfs/dbraw/zinc/18/76/71/646187671.db2.gz YORZKJRIIDBBFW-AWEZNQCLSA-N 0 0 248.326 2.218 20 5 BEBDRN CC1(C)CN(CC[N+](=O)[O-])Cc2ccccc21 ZINC000930104781 646436944 /nfs/dbraw/zinc/43/69/44/646436944.db2.gz VHEHYERUXPNWRD-UHFFFAOYSA-N 0 0 234.299 2.057 20 5 BEBDRN C[C@@H](O)C[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000228134060 711833685 /nfs/dbraw/zinc/83/36/85/711833685.db2.gz HEAXFHKKWWGFNK-JGVFFNPUSA-N 0 0 242.250 2.305 20 5 BEBDRN C[C@@H]1COC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000710837746 712258005 /nfs/dbraw/zinc/25/80/05/712258005.db2.gz PWZVCGSLVQZAFY-LDYMZIIASA-N 0 0 222.244 2.042 20 5 BEBDRN O=[N+]([O-])c1ccc(Cl)c(Cn2ccnc2)c1 ZINC000037403841 712603690 /nfs/dbraw/zinc/60/36/90/712603690.db2.gz BOJRFMLDDOSXDT-UHFFFAOYSA-N 0 0 237.646 2.493 20 5 BEBDRN C[C@@H](O)CSc1ccccc1[N+](=O)[O-] ZINC000037696984 712742260 /nfs/dbraw/zinc/74/22/60/712742260.db2.gz KUILVOLQMPKCDD-SSDOTTSWSA-N 0 0 213.258 2.068 20 5 BEBDRN C[C@@H](O)CSc1ccc([N+](=O)[O-])cc1 ZINC000037697003 712742318 /nfs/dbraw/zinc/74/23/18/712742318.db2.gz LFPMKDLSMWKTTD-SSDOTTSWSA-N 0 0 213.258 2.068 20 5 BEBDRN COC(C)(C)[C@H](C)Nc1ccc([N+](=O)[O-])cn1 ZINC000720287248 712830477 /nfs/dbraw/zinc/83/04/77/712830477.db2.gz KCIONYPTWMJILM-QMMMGPOBSA-N 0 0 239.275 2.215 20 5 BEBDRN