smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H]1CCCN1c1ccccc1[N+](=O)[O-] ZINC000019271194 344436513 /nfs/dbraw/zinc/43/65/13/344436513.db2.gz MVJZGJIDVGGPCQ-JTQLQIEISA-N -1 0 236.227 1.648 40 5 BDBBRM O=C1CCCc2ccc([N+](=O)[O-])c([O-])c21 ZINC000005813067 350884270 /nfs/dbraw/zinc/88/42/70/350884270.db2.gz AYORUTMZIUZUQO-UHFFFAOYSA-N -1 0 207.185 1.819 40 5 BDBBRM O=C([O-])c1n[nH]c2cccc([N+](=O)[O-])c21 ZINC000014983398 205461147 /nfs/dbraw/zinc/46/11/47/205461147.db2.gz NOGNCWRLCOJHDF-UHFFFAOYSA-N -1 0 207.145 1.169 40 5 BDBBRM O=C([O-])c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC000066346747 182590938 /nfs/dbraw/zinc/59/09/38/182590938.db2.gz RYYYGQBDEGUYLX-UHFFFAOYSA-N -1 0 219.156 1.236 40 5 BDBBRM C[N+](C)(C)[C@H](c1ccccc1)P(=O)([O-])[O-] ZINC000006519637 384156041 /nfs/dbraw/zinc/15/60/41/384156041.db2.gz CSLMBGKJFFHYAQ-JTQLQIEISA-O -1 0 230.224 1.569 40 5 BDBBRM C[C@H](CC(=O)[O-])n1cc([N+](=O)[O-])c(C(F)F)n1 ZINC000408715563 384353007 /nfs/dbraw/zinc/35/30/07/384353007.db2.gz BSLLJRODYODDPW-SCSAIBSYSA-N -1 0 249.173 1.765 40 5 BDBBRM O=C([O-])[C@H]1N=Nc2ccc([N+](=O)[O-])cc21 ZINC000199563819 387699510 /nfs/dbraw/zinc/69/95/10/387699510.db2.gz WRKLKSUNRUCEDU-ZETCQYMHSA-N -1 0 207.145 1.818 40 5 BDBBRM O=[N+]([O-])c1cc(OCC(F)F)ccc1[O-] ZINC000169800305 387869465 /nfs/dbraw/zinc/86/94/65/387869465.db2.gz WVNWATKHYZWJJY-UHFFFAOYSA-N -1 0 219.143 1.944 40 5 BDBBRM COc1c(C(=O)[O-])cc(C)c(C)c1[N+](=O)[O-] ZINC000057340038 388357977 /nfs/dbraw/zinc/35/79/77/388357977.db2.gz OYJXTJPRNXBYFR-UHFFFAOYSA-N -1 0 225.200 1.918 40 5 BDBBRM COc1cc(F)c(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000097447139 174991835 /nfs/dbraw/zinc/99/18/35/174991835.db2.gz NKMOPSLCGIPFFB-UHFFFAOYSA-N -1 0 229.163 1.370 40 5 BDBBRM O=C([O-])C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000071163995 527549428 /nfs/dbraw/zinc/54/94/28/527549428.db2.gz CPSKKQLTUXPNGE-UHFFFAOYSA-N -1 0 234.167 1.343 40 5 BDBBRM Cc1ccc2[n-]cc([N+](=O)[O-])c(=O)c2c1 ZINC000016698020 342914433 /nfs/dbraw/zinc/91/44/33/342914433.db2.gz NCNUUSLPQHSVSO-UHFFFAOYSA-N -1 0 204.185 1.745 40 5 BDBBRM Nc1c(C(=O)[O-])cnn1-c1ccccc1[N+](=O)[O-] ZINC000137316928 259366222 /nfs/dbraw/zinc/36/62/22/259366222.db2.gz DYDVXNJAMMXMDA-UHFFFAOYSA-N -1 0 248.198 1.061 40 5 BDBBRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]Cl ZINC000004712489 343974387 /nfs/dbraw/zinc/97/43/87/343974387.db2.gz PYRPIDACZZLTBU-UHFFFAOYSA-N -1 0 236.636 1.027 40 5 BDBBRM CC(=O)C=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000100084115 187290715 /nfs/dbraw/zinc/29/07/15/187290715.db2.gz LENGHKYAWBMFDH-UHFFFAOYSA-N -1 0 207.185 1.757 40 5 BDBBRM CSc1nc(SC)c([N+](=O)[O-])c(=NN)[n-]1 ZINC000016943377 362958536 /nfs/dbraw/zinc/95/85/36/362958536.db2.gz SHNUMXOGDJPOSE-UHFFFAOYSA-N -1 0 247.305 1.114 40 5 BDBBRM O=c1cc([O-])c2cccc([N+](=O)[O-])c2[nH]1 ZINC000032236758 353611417 /nfs/dbraw/zinc/61/14/17/353611417.db2.gz OQRFLUGAEZVPKH-UHFFFAOYSA-N -1 0 206.157 1.142 40 5 BDBBRM O=C([O-])[C@@H]1CC(c2ccc([N+](=O)[O-])cc2)=NO1 ZINC000020594119 371302369 /nfs/dbraw/zinc/30/23/69/371302369.db2.gz LFUIGRHLASJTDI-VIFPVBQESA-N -1 0 236.183 1.172 40 5 BDBBRM C[C@@H](C(=O)[O-])n1cc([N+](=O)[O-])c(C(F)F)n1 ZINC000408716639 384350951 /nfs/dbraw/zinc/35/09/51/384350951.db2.gz PBAIIDKBNVBPJZ-VKHMYHEASA-N -1 0 235.146 1.375 40 5 BDBBRM Cc1nn(CC(=O)[O-])c(C(F)F)c1[N+](=O)[O-] ZINC000408715690 133447412 /nfs/dbraw/zinc/44/74/12/133447412.db2.gz CMMJJXCKUDPGFD-UHFFFAOYSA-N -1 0 235.146 1.122 40 5 BDBBRM CCO[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000206117518 170504591 /nfs/dbraw/zinc/50/45/91/170504591.db2.gz DJWIRYGIZKEUOG-SNVBAGLBSA-N -1 0 239.227 1.627 40 5 BDBBRM Cc1cc(OCC(=O)[O-])c([N+](=O)[O-])cc1C ZINC000216907958 178210318 /nfs/dbraw/zinc/21/03/18/178210318.db2.gz SWSIMDRWKHVZDR-UHFFFAOYSA-N -1 0 225.200 1.675 40 5 BDBBRM O=C([O-])c1ccc(-n2cc([N+](=O)[O-])cn2)cc1 ZINC000021953499 343822031 /nfs/dbraw/zinc/82/20/31/343822031.db2.gz DMQMABTZEVOVQE-UHFFFAOYSA-N -1 0 233.183 1.479 40 5 BDBBRM Nc1cc([N+](=O)[O-])cc(Br)c1[O-] ZINC000034498271 346298657 /nfs/dbraw/zinc/29/86/57/346298657.db2.gz SLCFPRSRXASEMX-UHFFFAOYSA-N -1 0 233.021 1.645 40 5 BDBBRM CC1C(=O)Nc2cc([N+](=O)[O-])ccc2C1=O ZINC000685937400 538761899 /nfs/dbraw/zinc/76/18/99/538761899.db2.gz TUTUZLDVHRHQMX-UHFFFAOYSA-N -1 0 220.184 1.863 40 5 BDBBRM Cc1c([O-])c2c(cccc2[N+](=O)[O-])[nH]c1=O ZINC000685936889 538758361 /nfs/dbraw/zinc/75/83/61/538758361.db2.gz BMIOVWWPLYQTNU-UHFFFAOYSA-N -1 0 220.184 1.863 40 5 BDBBRM CCc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 ZINC000001719013 357172052 /nfs/dbraw/zinc/17/20/52/357172052.db2.gz CIXQCVNMEAPWFG-UHFFFAOYSA-N -1 0 212.161 1.771 40 5 BDBBRM O=C([O-])c1c([N+](=O)[O-])ncn1Cc1ccccc1 ZINC000016677906 360432169 /nfs/dbraw/zinc/43/21/69/360432169.db2.gz PYRJLVPDLIDBNE-UHFFFAOYSA-N -1 0 247.210 1.538 40 5 BDBBRM Cc1ccc([N+](=O)[O-])c(OCC(=O)[O-])c1 ZINC000002526121 371570809 /nfs/dbraw/zinc/57/08/09/371570809.db2.gz RSGIEBXUDPOQPJ-UHFFFAOYSA-N -1 0 211.173 1.367 40 5 BDBBRM C[C@H](Cn1ncc([N+](=O)[O-])c1C(F)F)C(=O)[O-] ZINC000408716461 384349266 /nfs/dbraw/zinc/34/92/66/384349266.db2.gz NHIBRPRWBLLOGA-SCSAIBSYSA-N -1 0 249.173 1.450 40 5 BDBBRM Cc1c([N+](=O)[O-])c(C(F)F)nn1CCC(=O)[O-] ZINC000408716331 384351241 /nfs/dbraw/zinc/35/12/41/384351241.db2.gz LPWBZHQZAUEULD-UHFFFAOYSA-N -1 0 249.173 1.512 40 5 BDBBRM CC(C)Cn1cc([N+](=O)[O-])c(C(=O)[O-])n1 ZINC000229734832 386459886 /nfs/dbraw/zinc/45/98/86/386459886.db2.gz TWEZDWMPIMRZEM-UHFFFAOYSA-N -1 0 213.193 1.146 40 5 BDBBRM COc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000001723255 174930452 /nfs/dbraw/zinc/93/04/52/174930452.db2.gz FZEVTPCZAKESII-UHFFFAOYSA-N -1 0 231.591 1.955 40 5 BDBBRM COc1ccc([C@H](CC(=O)[O-])C[N+](=O)[O-])cc1 ZINC000057529604 175190561 /nfs/dbraw/zinc/19/05/61/175190561.db2.gz GIGAUSGQPJTXND-SECBINFHSA-N -1 0 239.227 1.530 40 5 BDBBRM C[C@@H](OS(=O)(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000044672353 176003452 /nfs/dbraw/zinc/00/34/52/176003452.db2.gz CZYUMQYCQYJCSF-ZCFIWIBFSA-N -1 0 247.228 1.475 40 5 in-vitro BDBBRM CC(=O)Nc1c([N+](=O)[O-])cc([O-])cc1[N+](=O)[O-] ZINC000005698910 187247832 /nfs/dbraw/zinc/24/78/32/187247832.db2.gz QPZXYNRAZUXIAW-UHFFFAOYSA-N -1 0 241.159 1.167 40 5 BDBBRM O=c1cc(-c2ccc([N+](=O)[O-])cc2)[n-]o1 ZINC000005513465 346244647 /nfs/dbraw/zinc/24/46/47/346244647.db2.gz VSQLGOVKEKRCAP-UHFFFAOYSA-N -1 0 206.157 1.955 40 5 BDBBRM O=c1nc2[nH]c3ccccc3cc-2c(=O)[n-]1 ZINC000005117525 191122460 /nfs/dbraw/zinc/12/24/60/191122460.db2.gz KWHWFTSHDPJOTG-UHFFFAOYSA-N -1 0 213.196 1.177 40 5 in-vitro BDBBRM O=C([O-])c1onc2cc([N+](=O)[O-])ccc21 ZINC000001654216 357065135 /nfs/dbraw/zinc/06/51/35/357065135.db2.gz LIZZRGKWWBTAKX-UHFFFAOYSA-N -1 0 208.129 1.434 40 5 BDBBRM COc1cccc2c(=O)c([N+](=O)[O-])c[n-]c12 ZINC000256051238 370635849 /nfs/dbraw/zinc/63/58/49/370635849.db2.gz IIMPRAVNEYOBHA-UHFFFAOYSA-N -1 0 220.184 1.857 40 5 BDBBRM C[C@@](O)(CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000008579238 372770289 /nfs/dbraw/zinc/77/02/89/372770289.db2.gz KJKUAEMIKPSAOU-SNVBAGLBSA-N -1 0 225.200 1.277 40 5 BDBBRM O=C([O-])c1ccc(OC2CC2)c([N+](=O)[O-])c1 ZINC000095735497 182571342 /nfs/dbraw/zinc/57/13/42/182571342.db2.gz ZPHQCOIYOZSLKA-UHFFFAOYSA-N -1 0 223.184 1.834 40 5 BDBBRM O=[N+]([O-])c1cc(CO)cc(Br)c1[O-] ZINC000008727714 182921826 /nfs/dbraw/zinc/92/18/26/182921826.db2.gz HMNGTUJXCUQSBI-UHFFFAOYSA-N -1 0 248.032 1.555 40 5 BDBBRM O=C([O-])CCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001705730 387472241 /nfs/dbraw/zinc/47/22/41/387472241.db2.gz NVQAKPKZYJWBTP-UHFFFAOYSA-N -1 0 223.184 1.642 40 5 BDBBRM O=C([O-])c1cccc(-n2cnc([N+](=O)[O-])c2)c1 ZINC000196241035 398239105 /nfs/dbraw/zinc/23/91/05/398239105.db2.gz SIZVUMXKIKQBRP-UHFFFAOYSA-N -1 0 233.183 1.479 40 5 BDBBRM Cc1cccc(-n2nc(C(=O)[O-])c([N+](=O)[O-])n2)c1 ZINC000089263336 179001419 /nfs/dbraw/zinc/00/14/19/179001419.db2.gz OTRMNAZCJXBKHN-UHFFFAOYSA-N -1 0 248.198 1.182 40 5 BDBBRM O=Cc1ccc(SCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000004558031 187929165 /nfs/dbraw/zinc/92/91/65/187929165.db2.gz LCYXQRNOZVMFFY-UHFFFAOYSA-N -1 0 241.224 1.584 40 5 BDBBRM CN(CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000035367376 357195988 /nfs/dbraw/zinc/19/59/88/357195988.db2.gz JRKPUAYEPNTVLU-UHFFFAOYSA-N -1 0 210.189 1.116 40 5 BDBBRM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[O-] ZINC000001737169 357443267 /nfs/dbraw/zinc/44/32/67/357443267.db2.gz LZYDMBZSLOSYOZ-UHFFFAOYSA-N -1 0 237.620 1.495 40 5 BDBBRM O=C([O-])[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000020594121 182507397 /nfs/dbraw/zinc/50/73/97/182507397.db2.gz IROSEBFOFFTHIM-VIFPVBQESA-N -1 0 236.183 1.172 40 5 BDBBRM O=C([O-])[C@H]1CCCN1c1ccc([N+](=O)[O-])cn1 ZINC000020278783 182536081 /nfs/dbraw/zinc/53/60/81/182536081.db2.gz YSNMMGMQIZSTOF-MRVPVSSYSA-N -1 0 237.215 1.043 40 5 BDBBRM CC[C@H](C(=O)[O-])n1ncc([N+](=O)[O-])c1C(F)F ZINC000408716617 384351044 /nfs/dbraw/zinc/35/10/44/384351044.db2.gz OWYOSZRNWMYJEG-SCSAIBSYSA-N -1 0 249.173 1.765 40 5 BDBBRM Cc1c([N+](=O)[O-])c(C(F)F)nn1[C@@H](C)C(=O)[O-] ZINC000408716312 384351678 /nfs/dbraw/zinc/35/16/78/384351678.db2.gz LHMZGKXXLKYCAC-BYPYZUCNSA-N -1 0 249.173 1.683 40 5 BDBBRM COC(=O)c1cc([N+](=O)[O-])c([O-])cc1F ZINC000575713903 384858219 /nfs/dbraw/zinc/85/82/19/384858219.db2.gz KAJMFQJUVOJDSK-UHFFFAOYSA-N -1 0 215.136 1.226 40 5 BDBBRM O=C([O-])c1cc([N+](=O)[O-])n(CC(F)(F)F)n1 ZINC000072209691 385063676 /nfs/dbraw/zinc/06/36/76/385063676.db2.gz FMMIKTKCCZXOCC-UHFFFAOYSA-N -1 0 239.109 1.052 40 5 BDBBRM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)n1 ZINC000095761394 385131702 /nfs/dbraw/zinc/13/17/02/385131702.db2.gz CJCXMRQSELRSIU-UHFFFAOYSA-N -1 0 202.553 1.341 40 5 BDBBRM COc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)[O-] ZINC000057339623 386353401 /nfs/dbraw/zinc/35/34/01/386353401.db2.gz RPWIJMZSSLWVTH-UHFFFAOYSA-N -1 0 225.200 1.918 40 5 BDBBRM O=C([O-])C[C@@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000057517556 388361851 /nfs/dbraw/zinc/36/18/51/388361851.db2.gz CRZUBFCVOITKNW-QMMMGPOBSA-N -1 0 227.191 1.661 40 5 BDBBRM CC1=N/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)O1 ZINC000059484388 168132888 /nfs/dbraw/zinc/13/28/88/168132888.db2.gz FJQBOXOAICAMGL-XBXARRHUSA-N -1 0 248.194 1.617 40 5 BDBBRM Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000044225023 344985966 /nfs/dbraw/zinc/98/59/66/344985966.db2.gz KHXIPGBFCRIAME-UHFFFAOYSA-N -1 0 216.580 1.529 40 5 BDBBRM CO[P@@](=O)([O-])Oc1ccc([N+](=O)[O-])cc1 ZINC000005606907 346278506 /nfs/dbraw/zinc/27/85/06/346278506.db2.gz VFLXIIVUAKWFJE-UHFFFAOYSA-N -1 0 233.116 1.720 40 5 BDBBRM COc1cc(O)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000169800252 187991802 /nfs/dbraw/zinc/99/18/02/187991802.db2.gz SGJMZHXWMUSUBE-UHFFFAOYSA-N -1 0 213.145 1.007 40 5 BDBBRM O=N[N-]c1nc([N+](=O)[O-])nn1-c1ccccc1 ZINC000005738707 182878748 /nfs/dbraw/zinc/87/87/48/182878748.db2.gz FPNLHCZPGUFABL-UHFFFAOYSA-N -1 0 234.175 1.269 40 5 BDBBRM Cc1nn([C@@H](C)C(=O)[O-])c(C(F)F)c1[N+](=O)[O-] ZINC000408717297 384351337 /nfs/dbraw/zinc/35/13/37/384351337.db2.gz YBFILTYPTJKLAD-BYPYZUCNSA-N -1 0 249.173 1.683 40 5 BDBBRM C[C@H](CC(=O)[O-])n1ncc([N+](=O)[O-])c1C(F)F ZINC000408715969 384701260 /nfs/dbraw/zinc/70/12/60/384701260.db2.gz HIHMIQJQKYUXAF-SCSAIBSYSA-N -1 0 249.173 1.765 40 5 BDBBRM CCOc1cc([N+](=O)[O-])cc(C(=O)[O-])c1OC ZINC000225282612 388641860 /nfs/dbraw/zinc/64/18/60/388641860.db2.gz RRNYHVPZSXKMRC-UHFFFAOYSA-N -1 0 241.199 1.700 40 5 BDBBRM O=C([O-])c1c([N+](=O)[O-])cnn1C1CCCC1 ZINC000408716574 133447967 /nfs/dbraw/zinc/44/79/67/133447967.db2.gz OKFGHEXELSTKGJ-UHFFFAOYSA-N -1 0 225.204 1.605 40 5 BDBBRM C[C@H](OS(=O)(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000044672351 177021921 /nfs/dbraw/zinc/02/19/21/177021921.db2.gz CZYUMQYCQYJCSF-LURJTMIESA-N -1 0 247.228 1.475 40 5 in-vitro BDBBRM CC(C)(C)n1cc([N+](=O)[O-])c(C(=O)[O-])n1 ZINC000168005148 534960390 /nfs/dbraw/zinc/96/03/90/534960390.db2.gz MDGDSDZBDHHCRI-UHFFFAOYSA-N -1 0 213.193 1.245 40 5 BDBBRM Cc1cc([N+](=O)[O-])c(C)c(C(=O)[O-])c1O ZINC000057339492 178269951 /nfs/dbraw/zinc/26/99/51/178269951.db2.gz GEAQSVQTBHFWFI-UHFFFAOYSA-N -1 0 211.173 1.615 40 5 BDBBRM Cc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1[O-] ZINC000001719014 178270089 /nfs/dbraw/zinc/27/00/89/178270089.db2.gz RROXWBBJMPCPHD-UHFFFAOYSA-N -1 0 212.161 1.825 40 5 BDBBRM O=[N+]([O-])c1cccc([C@@H]2NNC(=S)S2)c1 ZINC000000114506 187243925 /nfs/dbraw/zinc/24/39/25/187243925.db2.gz GZGSKAPWVBYMNY-SSDOTTSWSA-N -1 0 241.297 1.719 40 5 BDBBRM CC[C@@H](C(=O)[O-])N(C)c1cccc([N+](=O)[O-])c1 ZINC000044619279 343510145 /nfs/dbraw/zinc/51/01/45/343510145.db2.gz DTIUYPCASPZCFR-JTQLQIEISA-N -1 0 238.243 1.894 40 5 BDBBRM Cc1nc(Cl)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000198446705 344938174 /nfs/dbraw/zinc/93/81/74/344938174.db2.gz YSESRTCKYVZXDX-UHFFFAOYSA-N -1 0 216.580 1.650 40 5 BDBBRM CCc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001705966 357165410 /nfs/dbraw/zinc/16/54/10/357165410.db2.gz LAQLVAJTFUCYLF-UHFFFAOYSA-N -1 0 212.161 1.771 40 5 BDBBRM O=C([O-])c1cc([N+](=O)[O-])c(Cl)cc1O ZINC000045957396 359747104 /nfs/dbraw/zinc/74/71/04/359747104.db2.gz KGJTZPXSUKKAQJ-UHFFFAOYSA-N -1 0 217.564 1.652 40 5 BDBBRM Nc1cc([N+](=O)[O-])c(F)cc1C(=O)[O-] ZINC000039084857 372861951 /nfs/dbraw/zinc/86/19/51/372861951.db2.gz WVJVJQGXIAONSG-UHFFFAOYSA-N -1 0 200.125 1.014 40 5 BDBBRM O=C([O-])c1cccc(-n2cc([N+](=O)[O-])cn2)c1 ZINC000021953497 182575534 /nfs/dbraw/zinc/57/55/34/182575534.db2.gz OSXUQMULUQYNRL-UHFFFAOYSA-N -1 0 233.183 1.479 40 5 BDBBRM O=C([O-])c1c[nH]nc1Cc1ccc([N+](=O)[O-])cc1 ZINC000071980911 182587998 /nfs/dbraw/zinc/58/79/98/182587998.db2.gz MWYZQWKDPDTTIV-UHFFFAOYSA-N -1 0 247.210 1.607 40 5 BDBBRM CCN(CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000038017293 361811989 /nfs/dbraw/zinc/81/19/89/361811989.db2.gz DESUXXRJIJHRKL-UHFFFAOYSA-N -1 0 224.216 1.506 40 5 BDBBRM O=[N+]([O-])c1cc(C2N=NC(=S)N2)ccc1[O-] ZINC000006471197 187248999 /nfs/dbraw/zinc/24/89/99/187248999.db2.gz LMAMJUUHEQCDSQ-UHFFFAOYSA-N -1 0 238.228 1.374 40 5 BDBBRM CC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-] ZINC000001677685 363322642 /nfs/dbraw/zinc/32/26/42/363322642.db2.gz FWLJWRLEBQQLSX-UHFFFAOYSA-N -1 0 209.157 1.496 40 5 BDBBRM O=C([O-])c1cn(Cc2ccccc2)nc1[N+](=O)[O-] ZINC000205931282 368359883 /nfs/dbraw/zinc/35/98/83/368359883.db2.gz WBGCEXALINTAKU-UHFFFAOYSA-N -1 0 247.210 1.538 40 5 BDBBRM O=C([O-])c1cc([N+](=O)[O-])cc2cccnc21 ZINC000005162168 182558839 /nfs/dbraw/zinc/55/88/39/182558839.db2.gz FWUCNXBOHHWZQZ-UHFFFAOYSA-N -1 0 218.168 1.841 40 5 BDBBRM CC[C@@H](C(=O)[O-])n1ncc([N+](=O)[O-])c1C(F)F ZINC000408716616 384350966 /nfs/dbraw/zinc/35/09/66/384350966.db2.gz OWYOSZRNWMYJEG-BYPYZUCNSA-N -1 0 249.173 1.765 40 5 BDBBRM C[C@H](C(=O)[O-])n1ncc([N+](=O)[O-])c1C(F)F ZINC000408716969 384351424 /nfs/dbraw/zinc/35/14/24/384351424.db2.gz UCUJNVATESPLIG-GSVOUGTGSA-N -1 0 235.146 1.375 40 5 BDBBRM O=c1nc(NC2CCCC2)c([N+](=O)[O-])c[n-]1 ZINC000072220780 385098121 /nfs/dbraw/zinc/09/81/21/385098121.db2.gz ZMPRSRSDQQBRBN-UHFFFAOYSA-N -1 0 224.220 1.033 40 5 BDBBRM O=C([O-])CC(=O)c1ccccc1[N+](=O)[O-] ZINC000016449190 387488984 /nfs/dbraw/zinc/48/89/84/387488984.db2.gz PJDGOXXKHPBMQA-UHFFFAOYSA-N -1 0 209.157 1.252 40 5 BDBBRM COc1c(C)c(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000057339796 388357806 /nfs/dbraw/zinc/35/78/06/388357806.db2.gz BUDOINGQQPMYBZ-UHFFFAOYSA-N -1 0 225.200 1.918 40 5 BDBBRM Cn1[n-]c(C(F)(F)F)c([N+](=O)[O-])c1=O ZINC000079836682 388615636 /nfs/dbraw/zinc/61/56/36/388615636.db2.gz ZOVAULMFDQCPGE-UHFFFAOYSA-N -1 0 211.099 1.053 40 5 BDBBRM C[C@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000001680141 177029180 /nfs/dbraw/zinc/02/91/80/177029180.db2.gz BPDRKPHFYJXKTB-YFKPBYRVSA-N -1 0 228.229 1.555 40 5 BDBBRM O=C([O-])Cc1ccc([N+](=O)[O-])c2ncccc12 ZINC000072206548 259315220 /nfs/dbraw/zinc/31/52/20/259315220.db2.gz ANIWPTDBICTPKG-UHFFFAOYSA-N -1 0 232.195 1.770 40 5 BDBBRM O=[N+]([O-])c1ccc(Cc2n[n-]c(=S)o2)cc1 ZINC000004993932 346256708 /nfs/dbraw/zinc/25/67/08/346256708.db2.gz NCMYOQVGOXMJCS-UHFFFAOYSA-N -1 0 237.240 1.857 40 5 BDBBRM Cc1ccccc1-n1nc(C(=O)[O-])c([N+](=O)[O-])n1 ZINC000089263330 179242004 /nfs/dbraw/zinc/24/20/04/179242004.db2.gz RZQONWILDZVCLA-UHFFFAOYSA-N -1 0 248.198 1.182 40 5 BDBBRM Cc1[n-]c(C)c([N+](=O)[O-])c(=O)c1[N+](=O)[O-] ZINC000035569858 358001148 /nfs/dbraw/zinc/00/11/48/358001148.db2.gz GSCRIRIDISHTJY-UHFFFAOYSA-N -1 0 213.149 1.220 40 5 BDBBRM O=C([O-])c1ccc([N+](=O)[O-])c2ncccc12 ZINC000062702347 259521785 /nfs/dbraw/zinc/52/17/85/259521785.db2.gz UUEGQMBBRCJYBI-UHFFFAOYSA-N -1 0 218.168 1.841 40 5 BDBBRM O=C([O-])[C@H]1COc2ccc([N+](=O)[O-])cc2C1 ZINC000040162405 373111834 /nfs/dbraw/zinc/11/18/34/373111834.db2.gz NZZVJUVOFZCXIW-SSDOTTSWSA-N -1 0 223.184 1.231 40 5 BDBBRM O=c1nc2oc3ccc(Cl)cc3cc-2c(=O)[n-]1 ZINC000016431168 183012238 /nfs/dbraw/zinc/01/22/38/183012238.db2.gz FJNNJBSVJLXTPR-UHFFFAOYSA-N -1 0 248.625 1.635 40 5 BDBBRM CO[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000220887154 383897891 /nfs/dbraw/zinc/89/78/91/383897891.db2.gz ZMUKUSPOMPSHQQ-VIFPVBQESA-N -1 0 225.200 1.237 40 5 BDBBRM O=C([O-])[C@@]12C[C@H]3C[C@@H](C1)C[C@]([N+](=O)[O-])(C3)C2 ZINC000100262118 384296208 /nfs/dbraw/zinc/29/62/08/384296208.db2.gz VSRRAGQUKPLYMV-YDRMRZIKSA-N -1 0 225.244 1.687 40 5 BDBBRM C[C@@H](Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)[O-] ZINC000001559043 387115580 /nfs/dbraw/zinc/11/55/80/387115580.db2.gz BMFORKAFSIKZRL-LURJTMIESA-N -1 0 246.244 1.241 40 5 BDBBRM COC(=O)c1cc(Cl)c([N+](=O)[O-])[n-]1 ZINC000217653340 388378421 /nfs/dbraw/zinc/37/84/21/388378421.db2.gz OUHBTZGZPWAUIZ-UHFFFAOYSA-N -1 0 204.569 1.363 40 5 BDBBRM CN(CCCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000035367388 172689267 /nfs/dbraw/zinc/68/92/67/172689267.db2.gz SCTZSTKUXNQCML-UHFFFAOYSA-N -1 0 238.243 1.896 40 5 BDBBRM COc1cccc([C@@H](CC(=O)[O-])C[N+](=O)[O-])c1 ZINC000057529597 175287475 /nfs/dbraw/zinc/28/74/75/175287475.db2.gz SUIRTDYSHLDGEC-VIFPVBQESA-N -1 0 239.227 1.530 40 5 BDBBRM C[C@@H](Nc1ccc([N+](=O)[O-])cc1)S(=O)(=O)[O-] ZINC000004774486 175931199 /nfs/dbraw/zinc/93/11/99/175931199.db2.gz MTVSAEYQYDFDBZ-LURJTMIESA-N -1 0 246.244 1.241 40 5 BDBBRM O=C([O-])Cc1c(F)ccc([N+](=O)[O-])c1F ZINC000036420915 487759195 /nfs/dbraw/zinc/75/91/95/487759195.db2.gz GHFAYUZPPYDFBK-UHFFFAOYSA-N -1 0 217.127 1.500 40 5 BDBBRM CCN(c1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)[O-] ZINC000260680969 323108974 /nfs/dbraw/zinc/10/89/74/323108974.db2.gz ZUGWXGATSINGMB-MRVPVSSYSA-N -1 0 238.243 1.894 40 5 BDBBRM O=C([O-])[C@@H]1COc2ccc([N+](=O)[O-])cc2C1 ZINC000040162404 343397302 /nfs/dbraw/zinc/39/73/02/343397302.db2.gz NZZVJUVOFZCXIW-ZETCQYMHSA-N -1 0 223.184 1.231 40 5 BDBBRM Cc1cccc([N+](=O)[O-])c1OCC(=O)[O-] ZINC000008732292 179205888 /nfs/dbraw/zinc/20/58/88/179205888.db2.gz BBYQHUJAVVDIRB-UHFFFAOYSA-N -1 0 211.173 1.367 40 5 BDBBRM Cc1cc(C(=O)[O-])nn1-c1ccc([N+](=O)[O-])cc1 ZINC000008700447 188104123 /nfs/dbraw/zinc/10/41/23/188104123.db2.gz UBFZTQOOPPTHPI-UHFFFAOYSA-N -1 0 247.210 1.787 40 5 BDBBRM O=C([O-])/C=C/c1ccc(F)c([N+](=O)[O-])c1 ZINC000002386142 182411734 /nfs/dbraw/zinc/41/17/34/182411734.db2.gz CQDUDTCHWSHVKT-DUXPYHPUSA-N -1 0 211.148 1.832 40 5 BDBBRM C[C@@H](C(=O)[O-])n1ncc([N+](=O)[O-])c1C(F)F ZINC000408716970 384349320 /nfs/dbraw/zinc/34/93/20/384349320.db2.gz UCUJNVATESPLIG-VKHMYHEASA-N -1 0 235.146 1.375 40 5 BDBBRM O=C([O-])CCCn1cc([N+](=O)[O-])c(C(F)F)n1 ZINC000408716800 384351930 /nfs/dbraw/zinc/35/19/30/384351930.db2.gz QZORROCHFMORCA-UHFFFAOYSA-N -1 0 249.173 1.594 40 5 BDBBRM O=[N+]([O-])c1cnc(Br)cc1[O-] ZINC000079006639 384476398 /nfs/dbraw/zinc/47/63/98/384476398.db2.gz IRLKJRHKZOTPFC-UHFFFAOYSA-N -1 0 218.994 1.458 40 5 BDBBRM O=C([O-])c1ccc2ccc(F)c([N+](=O)[O-])c2n1 ZINC000085399882 385168260 /nfs/dbraw/zinc/16/82/60/385168260.db2.gz OBFCXQYGCOVAFU-UHFFFAOYSA-N -1 0 236.158 1.980 40 5 BDBBRM O=C([O-])c1cc2n[nH]cc2cc1[N+](=O)[O-] ZINC000089197154 387260524 /nfs/dbraw/zinc/26/05/24/387260524.db2.gz VHRWGASEOBURCL-UHFFFAOYSA-N -1 0 207.145 1.169 40 5 BDBBRM CCOc1cc(C(=O)[O-])c(O)c([N+](=O)[O-])c1 ZINC000226233345 387387026 /nfs/dbraw/zinc/38/70/26/387387026.db2.gz DOQKDMFYKYVNHM-UHFFFAOYSA-N -1 0 227.172 1.397 40 5 BDBBRM O=C([O-])Cc1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000001719410 387508509 /nfs/dbraw/zinc/50/85/09/387508509.db2.gz AIPWBPGFHUFDMH-UHFFFAOYSA-N -1 0 220.184 1.703 40 5 BDBBRM O=C([O-])c1cn(CC(F)(F)F)nc1[N+](=O)[O-] ZINC000095836856 388786745 /nfs/dbraw/zinc/78/67/45/388786745.db2.gz ZJGVOBIYGFGFNQ-UHFFFAOYSA-N -1 0 239.109 1.052 40 5 BDBBRM C[C@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000039209472 176725219 /nfs/dbraw/zinc/72/52/19/176725219.db2.gz OYVPRJZBBVQUQJ-SSDOTTSWSA-N -1 0 209.201 1.858 40 5 BDBBRM Nc1nc2c(cc([N+](=O)[O-])cc2[O-])s1 ZINC000000355937 344718385 /nfs/dbraw/zinc/71/83/85/344718385.db2.gz UBWOTKJTWBBNMA-UHFFFAOYSA-N -1 0 211.202 1.492 40 5 BDBBRM CC(C)C[C@H]([N+](C)(C)C)P(=O)([O-])[O-] ZINC000005962841 188103376 /nfs/dbraw/zinc/10/33/76/188103376.db2.gz MHFOVXZPIMLKPI-MRVPVSSYSA-O -1 0 210.234 1.243 40 5 BDBBRM O=C([O-])C(=O)c1c[nH]c2c1cccc2[N+](=O)[O-] ZINC000199555040 182421399 /nfs/dbraw/zinc/42/13/99/182421399.db2.gz VVLPFSSIECALGF-UHFFFAOYSA-N -1 0 234.167 1.343 40 5 BDBBRM O=C([O-])c1conc1-c1ccc([N+](=O)[O-])cc1 ZINC000167942070 182594288 /nfs/dbraw/zinc/59/42/88/182594288.db2.gz LEGJOBYBYBCNHH-UHFFFAOYSA-N -1 0 234.167 1.948 40 5 BDBBRM O=C([O-])COc1ccc([N+](=O)[O-])cc1F ZINC000001732239 387036522 /nfs/dbraw/zinc/03/65/22/387036522.db2.gz GTFPUPQBBURCHR-UHFFFAOYSA-N -1 0 215.136 1.197 40 5 BDBBRM CC1(C)c2cc([O-])c([N+](=O)[O-])cc2NC1=O ZINC000059196206 388392373 /nfs/dbraw/zinc/39/23/73/388392373.db2.gz GLGSULOUMYONRR-UHFFFAOYSA-N -1 0 222.200 1.530 40 5 BDBBRM Cc1ccc(S(=O)(=O)[O-])c([N+](=O)[O-])c1 ZINC000002529765 388841188 /nfs/dbraw/zinc/84/11/88/388841188.db2.gz MXGITBULPTZNHM-UHFFFAOYSA-N -1 0 217.202 1.150 40 5 BDBBRM COC(=O)c1c(F)ccc([N+](=O)[O-])c1[O-] ZINC000169800326 173844197 /nfs/dbraw/zinc/84/41/97/173844197.db2.gz PPXWZUZQIGTKAF-UHFFFAOYSA-N -1 0 215.136 1.226 40 5 BDBBRM COc1cc([N+](=O)[O-])c(CC(=O)[O-])cc1F ZINC000169800310 175018230 /nfs/dbraw/zinc/01/82/30/175018230.db2.gz WWCTZJLHZWRRQT-UHFFFAOYSA-N -1 0 229.163 1.370 40 5 BDBBRM C[C@H]1Cc2cc([N+](=O)[O-])cc(C(=O)[O-])c2O1 ZINC000218820275 177388686 /nfs/dbraw/zinc/38/86/86/177388686.db2.gz ZHXWYZYHSLZQAC-YFKPBYRVSA-N -1 0 223.184 1.616 40 5 BDBBRM O=c1oc2ccc(F)cc2c([O-])c1[N+](=O)[O-] ZINC000002243262 398269818 /nfs/dbraw/zinc/26/98/18/398269818.db2.gz BUONLUAASFEPJF-UHFFFAOYSA-N -1 0 225.131 1.546 40 5 BDBBRM O=c1c([N+](=O)[O-])c([O-])ccn1[C@H]1CCCCO1 ZINC000256053999 398270360 /nfs/dbraw/zinc/27/03/60/398270360.db2.gz UNPABVNIUTZJIT-MRVPVSSYSA-N -1 0 240.215 1.161 40 5 BDBBRM C[C@H](Nc1ccc([N+](=O)[O-])cc1)S(=O)(=O)[O-] ZINC000005929896 351317857 /nfs/dbraw/zinc/31/78/57/351317857.db2.gz MTVSAEYQYDFDBZ-ZCFIWIBFSA-N -1 0 246.244 1.241 40 5 BDBBRM O=C([O-])c1c2ccccc2nc2nc(=O)[nH]cc21 ZINC000096877434 188147502 /nfs/dbraw/zinc/14/75/02/188147502.db2.gz RWTCQSRWLXLAQF-UHFFFAOYSA-N -1 0 241.206 1.170 40 5 BDBBRM O=C([O-])C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000001696721 387418169 /nfs/dbraw/zinc/41/81/69/387418169.db2.gz VIQQDHUBXJPCEJ-UHFFFAOYSA-N -1 0 234.167 1.343 40 5 BDBBRM CCOc1cc([N+](=O)[O-])cc(C(=O)[O-])c1O ZINC000225282565 388641213 /nfs/dbraw/zinc/64/12/13/388641213.db2.gz CGDMCPWZVPKEMV-UHFFFAOYSA-N -1 0 227.172 1.397 40 5 BDBBRM O=C([O-])c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1Cl ZINC000113916980 322914571 /nfs/dbraw/zinc/91/45/71/322914571.db2.gz YNOPZLWHBMWCPX-UHFFFAOYSA-N -1 0 246.562 1.855 40 5 BDBBRM COc1cc([N+](=O)[O-])ccc1/C=C\C(=O)[O-] ZINC000016955085 175017670 /nfs/dbraw/zinc/01/76/70/175017670.db2.gz KAXCXSIBSOTTRN-HYXAFXHYSA-N -1 0 223.184 1.701 40 5 BDBBRM COc1ccc(NCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000005159484 175151043 /nfs/dbraw/zinc/15/10/43/175151043.db2.gz NHOXKJDHAFQDMF-UHFFFAOYSA-N -1 0 226.188 1.100 40 5 BDBBRM Cc1ccc2c(c1)[n-]cc([N+](=O)[O-])c2=O ZINC000147745827 488055563 /nfs/dbraw/zinc/05/55/63/488055563.db2.gz UHNGNAKCLOWVMQ-UHFFFAOYSA-N -1 0 204.185 1.745 40 5 BDBBRM COc1cc2c(c([N+](=O)[O-])c1[O-])CCC2=O ZINC000034727715 342730134 /nfs/dbraw/zinc/73/01/34/342730134.db2.gz GHOFNBJXNOVZBP-UHFFFAOYSA-N -1 0 223.184 1.438 40 5 BDBBRM O=[N+]([O-])c1cc(F)c([O-])c([N+](=O)[O-])c1 ZINC000034261082 346240167 /nfs/dbraw/zinc/24/01/67/346240167.db2.gz GCFZQMCJLYJALN-UHFFFAOYSA-N -1 0 202.097 1.348 40 5 BDBBRM C[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000039209471 349284426 /nfs/dbraw/zinc/28/44/26/349284426.db2.gz OYVPRJZBBVQUQJ-ZETCQYMHSA-N -1 0 209.201 1.858 40 5 BDBBRM COc1ccc([C@@H](CC(=O)[O-])C[N+](=O)[O-])cc1 ZINC000057529601 187438163 /nfs/dbraw/zinc/43/81/63/187438163.db2.gz GIGAUSGQPJTXND-VIFPVBQESA-N -1 0 239.227 1.530 40 5 BDBBRM C/C(=C\c1cccc([N+](=O)[O-])c1[O-])CO ZINC000040544704 188083202 /nfs/dbraw/zinc/08/32/02/188083202.db2.gz POEIYPJMBUSKMW-FNORWQNLSA-N -1 0 209.201 1.696 40 5 BDBBRM CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000012359484 188105396 /nfs/dbraw/zinc/10/53/96/188105396.db2.gz LCFXHMRHNQRNMD-UHFFFAOYSA-N -1 0 225.156 1.218 40 5 BDBBRM CC(=O)C(=C(C)[O-])C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104374993 188151458 /nfs/dbraw/zinc/15/14/58/188151458.db2.gz XRDMMHZEWKHLHJ-UHFFFAOYSA-N -1 0 249.222 1.572 40 5 BDBBRM O=[N+]([O-])c1c([O-])ccnc1Br ZINC000035569859 358001344 /nfs/dbraw/zinc/00/13/44/358001344.db2.gz PFVGRSGRDMHUOP-UHFFFAOYSA-N -1 0 218.994 1.458 40 5 BDBBRM O=C([O-])/C=C/c1cc([N+](=O)[O-])ccc1F ZINC000002504913 182412207 /nfs/dbraw/zinc/41/22/07/182412207.db2.gz CQHVBNQUAFPJOW-DAFODLJHSA-N -1 0 211.148 1.832 40 5 BDBBRM Cc1nn([C@@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000408717019 384351042 /nfs/dbraw/zinc/35/10/42/384351042.db2.gz UWGGOYWJJHIHAI-YFKPBYRVSA-N -1 0 213.193 1.135 40 5 BDBBRM O=C([O-])[C@@H]1CC(=O)c2cc([N+](=O)[O-])ccc21 ZINC000095094166 384930618 /nfs/dbraw/zinc/93/06/18/384930618.db2.gz DSONKBUOHDTUQU-MRVPVSSYSA-N -1 0 221.168 1.349 40 5 BDBBRM O=C([O-])c1ccc2c([N+](=O)[O-])ccc(F)c2n1 ZINC000085399887 385167450 /nfs/dbraw/zinc/16/74/50/385167450.db2.gz HEPLMLHBKSVMCS-UHFFFAOYSA-N -1 0 236.158 1.980 40 5 BDBBRM O=C([O-])c1ccc2c(ccc(F)c2[N+](=O)[O-])n1 ZINC000085399873 385168074 /nfs/dbraw/zinc/16/80/74/385168074.db2.gz CHBYCIFJTOEBIJ-UHFFFAOYSA-N -1 0 236.158 1.980 40 5 BDBBRM COC(=O)c1ccc(C)c([O-])c1[N+](=O)[O-] ZINC000001757535 387515971 /nfs/dbraw/zinc/51/59/71/387515971.db2.gz LTGNNMNPRYIBRG-UHFFFAOYSA-N -1 0 211.173 1.395 40 5 BDBBRM COc1cccc([C@H](CC(=O)[O-])C[N+](=O)[O-])c1 ZINC000057529599 175293987 /nfs/dbraw/zinc/29/39/87/175293987.db2.gz SUIRTDYSHLDGEC-SECBINFHSA-N -1 0 239.227 1.530 40 5 BDBBRM Cc1[nH]c(-c2ccccc2[N+](=O)[O-])nc1C(=O)[O-] ZINC000039320323 177502377 /nfs/dbraw/zinc/50/23/77/177502377.db2.gz FCJYVDXPECBLHZ-UHFFFAOYSA-N -1 0 247.210 1.992 40 5 BDBBRM COc1cc(C(=O)[O-])c([N+](=O)[O-])cc1O ZINC000013335552 362133104 /nfs/dbraw/zinc/13/31/04/362133104.db2.gz RAPBNVDGGBJECM-UHFFFAOYSA-N -1 0 213.145 1.007 40 5 BDBBRM Nc1ccc(CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000003845786 346582234 /nfs/dbraw/zinc/58/22/34/346582234.db2.gz RSRNSLSJZOFVNV-UHFFFAOYSA-N -1 0 210.189 1.194 40 5 BDBBRM O=C1[N-]C(=O)C(=Cc2ccc([N+](=O)[O-])o2)N1 ZINC000033631330 350456905 /nfs/dbraw/zinc/45/69/05/350456905.db2.gz QFWCTABYNWDQLY-HWKANZROSA-N -1 0 223.144 1.208 40 5 BDBBRM CC(=O)Nc1ccc(C=O)c([O-])c1[N+](=O)[O-] ZINC000096007014 188148001 /nfs/dbraw/zinc/14/80/01/188148001.db2.gz RQZWUKQLFGUVON-UHFFFAOYSA-N -1 0 224.172 1.071 40 5 BDBBRM Nc1c(C(=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC000004748127 181666389 /nfs/dbraw/zinc/66/63/89/181666389.db2.gz BKTMGBPFFCRHST-UHFFFAOYSA-N -1 0 216.580 1.529 40 5 BDBBRM Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)[O-] ZINC000071250943 181691122 /nfs/dbraw/zinc/69/11/22/181691122.db2.gz ORWYNMNDNSUAGR-UHFFFAOYSA-N -1 0 216.580 1.529 40 5 BDBBRM O=C([O-])C1(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000085392794 182424088 /nfs/dbraw/zinc/42/40/88/182424088.db2.gz OVVJGVKZIPUYLJ-UHFFFAOYSA-N -1 0 223.184 1.591 40 5 BDBBRM O=[N+]([O-])c1ccc(-n2nn[n-]c2=S)cc1 ZINC000001734463 182926943 /nfs/dbraw/zinc/92/69/43/182926943.db2.gz HULJXMCAQUUEKF-UHFFFAOYSA-N -1 0 223.217 1.233 40 5 BDBBRM O=C([O-])[C@H]1N=Nc2c1cccc2[N+](=O)[O-] ZINC000199806941 383888933 /nfs/dbraw/zinc/88/89/33/383888933.db2.gz UIWJMHVXWMOUKA-ZETCQYMHSA-N -1 0 207.145 1.818 40 5 BDBBRM CC(C)Cn1ncc([N+](=O)[O-])c1C(=O)[O-] ZINC000408716076 384356581 /nfs/dbraw/zinc/35/65/81/384356581.db2.gz IONMOLOVKSSEKK-UHFFFAOYSA-N -1 0 213.193 1.146 40 5 BDBBRM COc1ccc(/C=C/C(=O)[O-])c([N+](=O)[O-])c1 ZINC000083311987 384483859 /nfs/dbraw/zinc/48/38/59/384483859.db2.gz KTRSXFHYDOWXPT-HWKANZROSA-N -1 0 223.184 1.701 40 5 BDBBRM NNc1cc(Cl)c([N+](=O)[O-])cc1O ZINC000199561982 384524826 /nfs/dbraw/zinc/52/48/26/384524826.db2.gz UUKGNQQQSBQWNF-UHFFFAOYSA-N -1 0 203.585 1.239 40 5 BDBBRM C[C@H](C(=O)[O-])n1cc([N+](=O)[O-])c(C(F)F)n1 ZINC000408716638 384703763 /nfs/dbraw/zinc/70/37/63/384703763.db2.gz PBAIIDKBNVBPJZ-GSVOUGTGSA-N -1 0 235.146 1.375 40 5 BDBBRM O=C([O-])c1ccc2c(F)ccc([N+](=O)[O-])c2n1 ZINC000085399897 385167127 /nfs/dbraw/zinc/16/71/27/385167127.db2.gz KIRRMCHJHRBWOL-UHFFFAOYSA-N -1 0 236.158 1.980 40 5 BDBBRM O=c1ccc([N+](=O)[O-])c(Br)[n-]1 ZINC000067175946 388693636 /nfs/dbraw/zinc/69/36/36/388693636.db2.gz RCFCOAZLLFZYKI-UHFFFAOYSA-N -1 0 218.994 1.458 40 5 BDBBRM C[C@@H](C(=O)[O-])N(C)c1cccc([N+](=O)[O-])c1 ZINC000054054765 175624531 /nfs/dbraw/zinc/62/45/31/175624531.db2.gz QBQBHXALYMHMHL-ZETCQYMHSA-N -1 0 224.216 1.504 40 5 BDBBRM Nc1c([N+](=O)[O-])ccc(F)c1C(=O)[O-] ZINC000059080693 398328276 /nfs/dbraw/zinc/32/82/76/398328276.db2.gz YXZBECCLWLWBKE-UHFFFAOYSA-N -1 0 200.125 1.014 40 5 BDBBRM O=[N+]([O-])c1ccnc(Br)c1[O-] ZINC000167182690 136368359 /nfs/dbraw/zinc/36/83/59/136368359.db2.gz GFZHPRIYEQZWSF-UHFFFAOYSA-N -1 0 218.994 1.458 40 5 BDBBRM O=C([O-])c1cc2cc([N+](=O)[O-])cc(F)c2[nH]1 ZINC000044185302 344716466 /nfs/dbraw/zinc/71/64/66/344716466.db2.gz DAEPDAFWYPLRHC-UHFFFAOYSA-N -1 0 224.147 1.913 40 5 BDBBRM Cc1cccc2c(=O)c([N+](=O)[O-])c[n-]c12 ZINC000016698022 179208474 /nfs/dbraw/zinc/20/84/74/179208474.db2.gz QXRFLACAYRMCOS-UHFFFAOYSA-N -1 0 204.185 1.745 40 5 BDBBRM O=C([O-])[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 ZINC000020594122 371302009 /nfs/dbraw/zinc/30/20/09/371302009.db2.gz IROSEBFOFFTHIM-SECBINFHSA-N -1 0 236.183 1.172 40 5 BDBBRM CO[C@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000220887211 383897694 /nfs/dbraw/zinc/89/76/94/383897694.db2.gz ZMUKUSPOMPSHQQ-SECBINFHSA-N -1 0 225.200 1.237 40 5 BDBBRM C[C@@H](CC(=O)[O-])n1ncc([N+](=O)[O-])c1C(F)F ZINC000408715968 384351999 /nfs/dbraw/zinc/35/19/99/384351999.db2.gz HIHMIQJQKYUXAF-BYPYZUCNSA-N -1 0 249.173 1.765 40 5 BDBBRM CC(C)Oc1nn([C@@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000408715727 384352483 /nfs/dbraw/zinc/35/24/83/384352483.db2.gz CYBSLYBHOSMZIJ-LURJTMIESA-N -1 0 243.219 1.224 40 5 BDBBRM O=C([O-])C1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1 ZINC000100121736 384619891 /nfs/dbraw/zinc/61/98/91/384619891.db2.gz OEWIZLSTYUXYCD-UHFFFAOYSA-N -1 0 249.182 1.184 40 5 BDBBRM Cn1nccc1-c1cc([N+](=O)[O-])ccc1[O-] ZINC000034264745 385131859 /nfs/dbraw/zinc/13/18/59/385131859.db2.gz PMBCBBGCIBJPHV-UHFFFAOYSA-N -1 0 219.200 1.701 40 5 BDBBRM CC(C)(CNc1ccc(C(=O)[O-])cc1)[N+](=O)[O-] ZINC000001727651 387540257 /nfs/dbraw/zinc/54/02/57/387540257.db2.gz WWYIFMPGELNHKZ-UHFFFAOYSA-N -1 0 238.243 1.852 40 5 BDBBRM O=C([O-])C[C@@H](C[N+](=O)[O-])c1ccccc1F ZINC000057517552 388361926 /nfs/dbraw/zinc/36/19/26/388361926.db2.gz ZKNZMZFLJCJEOS-ZETCQYMHSA-N -1 0 227.191 1.661 40 5 BDBBRM O=C([O-])C[C@H](C[N+](=O)[O-])c1ccccc1F ZINC000057517554 388361973 /nfs/dbraw/zinc/36/19/73/388361973.db2.gz ZKNZMZFLJCJEOS-SSDOTTSWSA-N -1 0 227.191 1.661 40 5 BDBBRM COc1c2cc([N+](=O)[O-])cn2ccc1C(=O)[O-] ZINC000217656920 174919145 /nfs/dbraw/zinc/91/91/45/174919145.db2.gz VQUSFPSZKGVFLR-UHFFFAOYSA-N -1 0 236.183 1.554 40 5 BDBBRM Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)[O-] ZINC000117912861 178269974 /nfs/dbraw/zinc/26/99/74/178269974.db2.gz YGILCZOAWKGSJD-UHFFFAOYSA-N -1 0 225.200 1.675 40 5 BDBBRM COCc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000072209183 259315879 /nfs/dbraw/zinc/31/58/79/259315879.db2.gz QUGVTACBEAKQJA-UHFFFAOYSA-N -1 0 211.173 1.439 40 5 BDBBRM CCOc1c(C(=O)[O-])cc(F)cc1[N+](=O)[O-] ZINC000225278328 398296704 /nfs/dbraw/zinc/29/67/04/398296704.db2.gz OAKLQODOAOSXQW-UHFFFAOYSA-N -1 0 229.163 1.831 40 5 BDBBRM O=c1c2cc(O)ccc2[n-]cc1[N+](=O)[O-] ZINC000016697781 362907815 /nfs/dbraw/zinc/90/78/15/362907815.db2.gz SHRVVCZZXGXDSY-UHFFFAOYSA-N -1 0 206.157 1.142 40 5 BDBBRM COc1ccc([N+](=O)[O-])c([O-])c1[N+](=O)[O-] ZINC000003200304 188101310 /nfs/dbraw/zinc/10/13/10/188101310.db2.gz VMRPNNBWVIQIMT-UHFFFAOYSA-N -1 0 214.133 1.217 40 5 BDBBRM O=[N+]([O-])c1cc(F)c2cccnc2c1[O-] ZINC000001598066 356985006 /nfs/dbraw/zinc/98/50/06/356985006.db2.gz WJOHCSADJQUMCX-UHFFFAOYSA-N -1 0 208.148 1.988 40 5 BDBBRM O=C([O-])c1ccc2cccnc2c1[N+](=O)[O-] ZINC000026443323 357121713 /nfs/dbraw/zinc/12/17/13/357121713.db2.gz RHPFBOHVBUBKMS-UHFFFAOYSA-N -1 0 218.168 1.841 40 5 BDBBRM O=C([O-])[C@@H]1N=Nc2c1cccc2[N+](=O)[O-] ZINC000199806963 182522902 /nfs/dbraw/zinc/52/29/02/182522902.db2.gz UIWJMHVXWMOUKA-SSDOTTSWSA-N -1 0 207.145 1.818 40 5 BDBBRM O=C([O-])c1n[nH]c(-c2ccccc2[N+](=O)[O-])n1 ZINC000095532214 385029821 /nfs/dbraw/zinc/02/98/21/385029821.db2.gz XJJRSGDMQAJOMK-UHFFFAOYSA-N -1 0 234.171 1.078 40 5 BDBBRM O=C([O-])c1sc([N+](=O)[O-])cc1OC(F)F ZINC000096511078 385248672 /nfs/dbraw/zinc/24/86/72/385248672.db2.gz QFMMSPNVTQHPFS-UHFFFAOYSA-N -1 0 239.155 1.956 40 5 BDBBRM CC[C@@H](C)n1ncc([N+](=O)[O-])c1C(=O)[O-] ZINC000408715805 133447631 /nfs/dbraw/zinc/44/76/31/133447631.db2.gz DZDOAFBGXPZICW-RXMQYKEDSA-N -1 0 213.193 1.461 40 5 BDBBRM C[C@@H](Sc1ccc([N+](=O)[O-])cn1)C(=O)[O-] ZINC000017417633 176009562 /nfs/dbraw/zinc/00/95/62/176009562.db2.gz BPDRKPHFYJXKTB-RXMQYKEDSA-N -1 0 228.229 1.555 40 5 BDBBRM O=C([O-])c1ncc(Cl)cc1[N+](=O)[O-] ZINC000045028240 187606847 /nfs/dbraw/zinc/60/68/47/187606847.db2.gz HKPFKOHEDBKQGE-UHFFFAOYSA-N -1 0 202.553 1.341 40 5 BDBBRM CC[C@@H](C)n1cc([N+](=O)[O-])c(C(=O)[O-])n1 ZINC000229733277 355256464 /nfs/dbraw/zinc/25/64/64/355256464.db2.gz YXQXOXTWDFRIFM-RXMQYKEDSA-N -1 0 213.193 1.461 40 5 BDBBRM O=C([O-])c1nccc2c1cccc2[N+](=O)[O-] ZINC000001727030 357180664 /nfs/dbraw/zinc/18/06/64/357180664.db2.gz GKSMRXCKXZEYGU-UHFFFAOYSA-N -1 0 218.168 1.841 40 5 BDBBRM O=c1ncc([N+](=O)[O-])c(C=Cc2ccco2)[n-]1 ZINC000005531045 183011737 /nfs/dbraw/zinc/01/17/37/183011737.db2.gz DWDALZDCUANPJZ-ONEGZZNKSA-N -1 0 233.183 1.442 40 5 BDBBRM O=C([O-])CCn1cc([N+](=O)[O-])c(C(F)F)n1 ZINC000408715797 384351549 /nfs/dbraw/zinc/35/15/49/384351549.db2.gz DUZFQOGMJMZEML-UHFFFAOYSA-N -1 0 235.146 1.204 40 5 BDBBRM C[C@H](C(=O)[O-])N(C)c1cccc([N+](=O)[O-])c1 ZINC000054054766 388010522 /nfs/dbraw/zinc/01/05/22/388010522.db2.gz QBQBHXALYMHMHL-SSDOTTSWSA-N -1 0 224.216 1.504 40 5 BDBBRM Nc1c(C(=O)[O-])cnn1-c1cccc([N+](=O)[O-])c1 ZINC000075440114 388683203 /nfs/dbraw/zinc/68/32/03/388683203.db2.gz MNVLIFWKCSLHBX-UHFFFAOYSA-N -1 0 248.198 1.061 40 5 BDBBRM O=C(/C=C/c1ccccc1[N+](=O)[O-])n1[n-][nH]1 ZINC000003845788 411185245 /nfs/dbraw/zinc/18/52/45/411185245.db2.gz SZXYMSOCLINXMI-AATRIKPKSA-N -1 0 220.188 1.406 40 5 BDBBRM CCc1nn(CC)c(C(=O)[O-])c1[N+](=O)[O-] ZINC000014985152 172045246 /nfs/dbraw/zinc/04/52/46/172045246.db2.gz CYRXJCKKLRXCIT-UHFFFAOYSA-N -1 0 213.193 1.072 40 5 BDBBRM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cl)cc1 ZINC000076495038 491125391 /nfs/dbraw/zinc/12/53/91/491125391.db2.gz PRZLIPRJFMQMEZ-UHFFFAOYSA-N -1 0 236.636 1.027 40 5 BDBBRM Cc1cc([N+](=O)[O-])ccc1OCC(=O)[O-] ZINC000079421488 178272642 /nfs/dbraw/zinc/27/26/42/178272642.db2.gz JWHCUUPSEKCMMP-UHFFFAOYSA-N -1 0 211.173 1.367 40 5 BDBBRM O=C([O-])C12C[C@H]3CC(C[C@H](C3)C1)[C@@H]2[N+](=O)[O-] ZINC000108424418 188325271 /nfs/dbraw/zinc/32/52/71/188325271.db2.gz XDXSQNDERUKYLD-FNPGPVBOSA-N -1 0 225.244 1.543 40 5 BDBBRM CN(CC(=O)[O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000010012478 370579037 /nfs/dbraw/zinc/57/90/37/370579037.db2.gz WCIBJZVOKHVXFZ-UHFFFAOYSA-N -1 0 244.634 1.769 40 5 BDBBRM Cc1nn(CCC(=O)[O-])c(C(F)F)c1[N+](=O)[O-] ZINC000408715687 384350993 /nfs/dbraw/zinc/35/09/93/384350993.db2.gz CLIPQGZPRABRMP-UHFFFAOYSA-N -1 0 249.173 1.512 40 5 BDBBRM CC[C@H](C(=O)[O-])n1cc([N+](=O)[O-])c(C(F)F)n1 ZINC000408716539 384351294 /nfs/dbraw/zinc/35/12/94/384351294.db2.gz NYUQVECXZUXLOM-SCSAIBSYSA-N -1 0 249.173 1.765 40 5 BDBBRM Cc1nn([C@H](C)CC(=O)[O-])cc1[N+](=O)[O-] ZINC000408717018 384356575 /nfs/dbraw/zinc/35/65/75/384356575.db2.gz UWGGOYWJJHIHAI-RXMQYKEDSA-N -1 0 213.193 1.135 40 5 BDBBRM O=c1oc2cc([N+](=O)[O-])c([O-])cc2s1 ZINC000036024563 387593591 /nfs/dbraw/zinc/59/35/91/387593591.db2.gz ACTSWVCSDJJKMK-UHFFFAOYSA-N -1 0 213.170 1.468 40 5 BDBBRM Cc1cc(C(=O)[O-])c(O)c([N+](=O)[O-])c1C ZINC000057339861 388357574 /nfs/dbraw/zinc/35/75/74/388357574.db2.gz NKYDZCJWAMXPMU-UHFFFAOYSA-N -1 0 211.173 1.615 40 5 BDBBRM COC(=O)c1oc2ccc([N+](=O)[O-])cc2c1[O-] ZINC000110288947 388642194 /nfs/dbraw/zinc/64/21/94/388642194.db2.gz ZSUYIBILLCWBMG-UHFFFAOYSA-N -1 0 237.167 1.833 40 5 BDBBRM COc1cccc([N+](=O)[O-])c1CC(=O)[O-] ZINC000014982955 175297309 /nfs/dbraw/zinc/29/73/09/175297309.db2.gz WWZXCZMODVFKSK-UHFFFAOYSA-N -1 0 211.173 1.231 40 5 BDBBRM O=C([O-])c1c(F)cc(F)cc1[N+](=O)[O-] ZINC000169800330 188338358 /nfs/dbraw/zinc/33/83/58/188338358.db2.gz LOPIOMPOBZEOFJ-UHFFFAOYSA-N -1 0 203.100 1.571 40 5 BDBBRM O=C([O-])c1c2ccccc2ncc1[N+](=O)[O-] ZINC000001628227 357024145 /nfs/dbraw/zinc/02/41/45/357024145.db2.gz MCPRYTVBUDRKJB-UHFFFAOYSA-N -1 0 218.168 1.841 40 5 BDBBRM C/C(=C\c1cc([N+](=O)[O-])ccc1[O-])CO ZINC000040545419 359353405 /nfs/dbraw/zinc/35/34/05/359353405.db2.gz AOFZYHJHUFXHJE-QPJJXVBHSA-N -1 0 209.201 1.696 40 5 BDBBRM O=C(c1n[nH]cc1[N+](=O)[O-])c1ccccc1[O-] ZINC000006659035 360545619 /nfs/dbraw/zinc/54/56/19/360545619.db2.gz ANYLZABLWSVIKE-UHFFFAOYSA-N -1 0 233.183 1.255 40 5 BDBBRM O=[N+]([O-])c1ccc([O-])c(C2OCCCO2)c1 ZINC000090713948 384071894 /nfs/dbraw/zinc/07/18/94/384071894.db2.gz DRGPRKWHEOQFQQ-UHFFFAOYSA-N -1 0 225.200 1.736 40 5 BDBBRM Cc1cn([C@@H](C)CC(=O)[O-])nc1[N+](=O)[O-] ZINC000069760169 384172051 /nfs/dbraw/zinc/17/20/51/384172051.db2.gz MRNATYICNGDOQT-LURJTMIESA-N -1 0 213.193 1.135 40 5 BDBBRM O=C([O-])CCn1ncc([N+](=O)[O-])c1C(F)F ZINC000408717241 384352125 /nfs/dbraw/zinc/35/21/25/384352125.db2.gz XHJXLCORHRHZMY-UHFFFAOYSA-N -1 0 235.146 1.204 40 5 BDBBRM C[C@@H](CC(=O)[O-])n1nc([N+](=O)[O-])cc1C1CC1 ZINC000408715746 384353421 /nfs/dbraw/zinc/35/34/21/384353421.db2.gz DCRDHQOMLWRLRS-LURJTMIESA-N -1 0 239.231 1.704 40 5 BDBBRM Cc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1[N+](=O)[O-] ZINC000409059660 385465211 /nfs/dbraw/zinc/46/52/11/385465211.db2.gz WIUIJPVJJRAPSS-XBXARRHUSA-N -1 0 247.210 1.084 40 5 BDBBRM O=C([O-])c1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC000014982377 386034728 /nfs/dbraw/zinc/03/47/28/386034728.db2.gz GQWMLRJMEVDSOK-UHFFFAOYSA-N -1 0 246.562 1.855 40 5 BDBBRM CCOC(=O)/C=C/c1cccc([N+](=O)[O-])c1[O-] ZINC000034606753 170183212 /nfs/dbraw/zinc/18/32/12/170183212.db2.gz ZFODYTUMAHNITH-VOTSOKGWSA-N -1 0 237.211 1.877 40 5 BDBBRM CC[C@H](C(=O)[O-])N(C)c1cccc([N+](=O)[O-])c1 ZINC000044619282 171236168 /nfs/dbraw/zinc/23/61/68/171236168.db2.gz DTIUYPCASPZCFR-SNVBAGLBSA-N -1 0 238.243 1.894 40 5 BDBBRM CN(C)C(=O)Oc1cc([O-])cc([N+](=O)[O-])c1 ZINC000001751543 172382588 /nfs/dbraw/zinc/38/25/88/172382588.db2.gz BILOSMALXANGCQ-UHFFFAOYSA-N -1 0 226.188 1.361 40 5 BDBBRM Cc1ccc(-n2nc(C(=O)[O-])c([N+](=O)[O-])n2)cc1 ZINC000089263360 178346914 /nfs/dbraw/zinc/34/69/14/178346914.db2.gz RYGLHYIMLDWKRK-UHFFFAOYSA-N -1 0 248.198 1.182 40 5 BDBBRM COc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000039278298 259406836 /nfs/dbraw/zinc/40/68/36/259406836.db2.gz WDHCRWZNSBIWKL-UHFFFAOYSA-N -1 0 231.591 1.955 40 5 BDBBRM Cc1[nH]c(-c2cccc([N+](=O)[O-])c2)nc1C(=O)[O-] ZINC000039320354 188255980 /nfs/dbraw/zinc/25/59/80/188255980.db2.gz YCKWXEJMMDPAFK-UHFFFAOYSA-N -1 0 247.210 1.992 40 5 BDBBRM CC(=O)Nc1snc(C)c1[N+](=O)[O-] ZINC000005758266 188277733 /nfs/dbraw/zinc/27/77/33/188277733.db2.gz OGWKKBVTBYBCOW-UHFFFAOYSA-N -1 0 201.207 1.318 40 5 BDBBRM COc1ccc2c(c1)[n-]cc([N+](=O)[O-])c2=O ZINC000039350716 359872549 /nfs/dbraw/zinc/87/25/49/359872549.db2.gz KUNGFMDUBZIWCE-UHFFFAOYSA-N -1 0 220.184 1.445 40 5 BDBBRM COc1c(C)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC000040545599 373460440 /nfs/dbraw/zinc/46/04/40/373460440.db2.gz HRXQWRURYAHEEI-UHFFFAOYSA-N -1 0 211.173 1.610 40 5 BDBBRM O=C([O-])c1ccnc2c1ccc(F)c2[N+](=O)[O-] ZINC000085399980 182586201 /nfs/dbraw/zinc/58/62/01/182586201.db2.gz HCBZSZPHSCBRFM-UHFFFAOYSA-N -1 0 236.158 1.980 40 5 BDBBRM O=C([O-])c1cc([N+](=O)[O-])nn1CC(F)(F)F ZINC000072209682 385063793 /nfs/dbraw/zinc/06/37/93/385063793.db2.gz VADIWCDNOBUMPN-UHFFFAOYSA-N -1 0 239.109 1.052 40 5 BDBBRM CC(=O)Oc1c(C(=O)[O-])cc(C)cc1[N+](=O)[O-] ZINC000057339585 386349558 /nfs/dbraw/zinc/34/95/58/386349558.db2.gz UOSTYUREBUJKLZ-UHFFFAOYSA-N -1 0 239.183 1.527 40 5 BDBBRM CC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000022113184 388825454 /nfs/dbraw/zinc/82/54/54/388825454.db2.gz HJPFKIQNBJVASL-UHFFFAOYSA-N -1 0 209.157 1.496 40 5 BDBBRM Cc1c([N+](=O)[O-])c(C(F)F)nn1[C@H](C)C(=O)[O-] ZINC000408716313 133447470 /nfs/dbraw/zinc/44/74/70/133447470.db2.gz LHMZGKXXLKYCAC-SCSAIBSYSA-N -1 0 249.173 1.683 40 5 BDBBRM O=C([O-])C[C@H](C[N+](=O)[O-])c1cccc(F)c1 ZINC000217536336 411181739 /nfs/dbraw/zinc/18/17/39/411181739.db2.gz VSLBQYPDDBWCSS-MRVPVSSYSA-N -1 0 227.191 1.661 40 5 BDBBRM CCOc1nn([C@@H](CC)C(=O)[O-])cc1[N+](=O)[O-] ZINC000253400422 170606697 /nfs/dbraw/zinc/60/66/97/170606697.db2.gz LFTDSSZROBCEDQ-LURJTMIESA-N -1 0 243.219 1.226 40 5 BDBBRM COc1cc([N+](=O)[O-])sc1C(=O)[O-] ZINC000096511077 175019090 /nfs/dbraw/zinc/01/90/90/175019090.db2.gz KSQRMNUWPWMSFH-UHFFFAOYSA-N -1 0 203.175 1.363 40 5 BDBBRM COc1cccc(/C=C/C(=O)[O-])c1[N+](=O)[O-] ZINC000002504994 175240703 /nfs/dbraw/zinc/24/07/03/175240703.db2.gz MSMFTNWJLRPBHC-AATRIKPKSA-N -1 0 223.184 1.701 40 5 BDBBRM Cc1cc([O-])c([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000001600825 178197443 /nfs/dbraw/zinc/19/74/43/178197443.db2.gz ROJUNUZENWQTJE-UHFFFAOYSA-N -1 0 212.161 1.825 40 5 BDBBRM Cc1[n-]c2ccc(F)cc2c(=O)c1[N+](=O)[O-] ZINC000044628773 343510753 /nfs/dbraw/zinc/51/07/53/343510753.db2.gz SYCGSPQBESHXBL-UHFFFAOYSA-N -1 0 222.175 1.884 40 5 BDBBRM Cc1[n-]c(=O)nc(Br)c1[N+](=O)[O-] ZINC000008642284 180026623 /nfs/dbraw/zinc/02/66/23/180026623.db2.gz HEXLTBBEJZQXDS-UHFFFAOYSA-N -1 0 234.009 1.161 40 5 BDBBRM CCc1ccc2[n-]cc([N+](=O)[O-])c(=O)c2c1 ZINC000039102049 188291044 /nfs/dbraw/zinc/29/10/44/188291044.db2.gz VPENCSHERWBWGY-UHFFFAOYSA-N -1 0 218.212 1.999 40 5 BDBBRM O=C([O-])c1cc(Br)c([N+](=O)[O-])o1 ZINC000085395543 182552534 /nfs/dbraw/zinc/55/25/34/182552534.db2.gz RQWSGKBGYFGZFN-UHFFFAOYSA-N -1 0 235.977 1.649 40 5 BDBBRM C[C@@H](Cn1ncc([N+](=O)[O-])c1C(F)F)C(=O)[O-] ZINC000408716460 384348154 /nfs/dbraw/zinc/34/81/54/384348154.db2.gz NHIBRPRWBLLOGA-BYPYZUCNSA-N -1 0 249.173 1.450 40 5 BDBBRM Cc1nn([C@H](C)C(=O)[O-])c(C(F)F)c1[N+](=O)[O-] ZINC000408717298 384351972 /nfs/dbraw/zinc/35/19/72/384351972.db2.gz YBFILTYPTJKLAD-SCSAIBSYSA-N -1 0 249.173 1.683 40 5 BDBBRM O=C([O-])c1c([N+](=O)[O-])cnn1CC(F)(F)F ZINC000408715112 384354898 /nfs/dbraw/zinc/35/48/98/384354898.db2.gz KBSZAFZYYMZGPV-UHFFFAOYSA-N -1 0 239.109 1.052 40 5 BDBBRM O=C([O-])[C@H]1CC(=O)c2cc([N+](=O)[O-])ccc21 ZINC000095094165 384928994 /nfs/dbraw/zinc/92/89/94/384928994.db2.gz DSONKBUOHDTUQU-QMMMGPOBSA-N -1 0 221.168 1.349 40 5 BDBBRM O=C([O-])c1conc1-c1ccccc1[N+](=O)[O-] ZINC000226099765 387060230 /nfs/dbraw/zinc/06/02/30/387060230.db2.gz SAUDXMZZPPKBIP-UHFFFAOYSA-N -1 0 234.167 1.948 40 5 BDBBRM C[C@](O)(CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000001555239 387114987 /nfs/dbraw/zinc/11/49/87/387114987.db2.gz KJKUAEMIKPSAOU-JTQLQIEISA-N -1 0 225.200 1.277 40 5 BDBBRM COC(=O)c1cc(F)cc([N+](=O)[O-])c1[O-] ZINC000079006813 388688708 /nfs/dbraw/zinc/68/87/08/388688708.db2.gz PZACJKRMTSMEEM-UHFFFAOYSA-N -1 0 215.136 1.226 40 5 BDBBRM CN(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000095080197 172391682 /nfs/dbraw/zinc/39/16/82/172391682.db2.gz RVYOMZYDBIGQJO-UHFFFAOYSA-N -1 0 210.189 1.002 40 5 BDBBRM COc1ccc2[n-]cc([N+](=O)[O-])c(=O)c2c1 ZINC000016698150 175202852 /nfs/dbraw/zinc/20/28/52/175202852.db2.gz WWYMTCLDNGUQFF-UHFFFAOYSA-N -1 0 220.184 1.445 40 5 BDBBRM Cc1c(=O)[nH][n-]c1-c1ccc([N+](=O)[O-])cc1 ZINC000100493941 177060599 /nfs/dbraw/zinc/06/05/99/177060599.db2.gz SDGQWCKSYIINAU-ZCFIWIBFSA-N -1 0 219.200 1.065 40 5 BDBBRM Cc1nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2[nH]1 ZINC000005479011 180069060 /nfs/dbraw/zinc/06/90/60/180069060.db2.gz UVPBCQHSNIWHFU-UHFFFAOYSA-N -1 0 221.172 1.478 40 5 BDBBRM C[C@H](Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)[O-] ZINC000005929900 351317748 /nfs/dbraw/zinc/31/77/48/351317748.db2.gz BMFORKAFSIKZRL-ZCFIWIBFSA-N -1 0 246.244 1.241 40 5 BDBBRM O=C([O-])c1cnc2[nH]ccc([N+](=O)[O-])c1-2 ZINC000016678081 360431867 /nfs/dbraw/zinc/43/18/67/360431867.db2.gz GLWOBXJVRRKBED-UHFFFAOYSA-N -1 0 207.145 1.169 40 5 BDBBRM CCO[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000206117495 384409723 /nfs/dbraw/zinc/40/97/23/384409723.db2.gz DJWIRYGIZKEUOG-JTQLQIEISA-N -1 0 239.227 1.627 40 5 BDBBRM CCc1cc(C(=O)[O-])c(O)c([N+](=O)[O-])c1 ZINC000057339060 388357335 /nfs/dbraw/zinc/35/73/35/388357335.db2.gz XAHWEVSBOJWUDG-UHFFFAOYSA-N -1 0 211.173 1.561 40 5 BDBBRM CCCCn1cc([N+](=O)[O-])c(C(=O)[O-])n1 ZINC000229734931 388396989 /nfs/dbraw/zinc/39/69/89/388396989.db2.gz HAXSIADDULFJRT-UHFFFAOYSA-N -1 0 213.193 1.290 40 5 BDBBRM COC(=O)c1ccc([S-])c([N+](=O)[O-])c1 ZINC000142793029 388430073 /nfs/dbraw/zinc/43/00/73/388430073.db2.gz JPDSHWJXMMBSTD-UHFFFAOYSA-N -1 0 213.214 1.670 40 5 BDBBRM Cn1cc(C(=O)[O-])c2cc([N+](=O)[O-])cnc21 ZINC000095937235 388791083 /nfs/dbraw/zinc/79/10/83/388791083.db2.gz LLYKTDYLLWENFQ-UHFFFAOYSA-N -1 0 221.172 1.180 40 5 BDBBRM Cc1cc(=O)n(C(=O)c2ccccc2[N+](=O)[O-])[n-]1 ZINC000005416436 322815092 /nfs/dbraw/zinc/81/50/92/322815092.db2.gz YCBVATCSJXAGBN-UHFFFAOYSA-N -1 0 247.210 1.343 40 5 BDBBRM COc1cc([N+](=O)[O-])cc(C(=O)[O-])c1O ZINC000044199020 175017665 /nfs/dbraw/zinc/01/76/65/175017665.db2.gz CXVCEBNPFLHILW-UHFFFAOYSA-N -1 0 213.145 1.007 40 5 BDBBRM COc1cc2ccc(C(=O)[O-])nc2c([N+](=O)[O-])c1 ZINC000001680093 175018016 /nfs/dbraw/zinc/01/80/16/175018016.db2.gz XBUHDHCGJAIOCG-UHFFFAOYSA-N -1 0 248.194 1.850 40 5 BDBBRM O=C([O-])Cc1ccc2cccnc2c1[N+](=O)[O-] ZINC000072206550 259315215 /nfs/dbraw/zinc/31/52/15/259315215.db2.gz ABQIKMXFPHTUGU-UHFFFAOYSA-N -1 0 232.195 1.770 40 5 BDBBRM CCOCc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000072209184 259316169 /nfs/dbraw/zinc/31/61/69/259316169.db2.gz PSOUKYVTTORLKZ-UHFFFAOYSA-N -1 0 225.200 1.830 40 5 BDBBRM Cc1c([O-])c([N+](=O)[O-])cc2c1OCOC2 ZINC000001583286 356978570 /nfs/dbraw/zinc/97/85/70/356978570.db2.gz HXGXZWRCVNJTAM-UHFFFAOYSA-N -1 0 211.173 1.475 40 5 BDBBRM O=C([O-])[C@@H]1N=Nc2cccc([N+](=O)[O-])c21 ZINC000089195825 387259642 /nfs/dbraw/zinc/25/96/42/387259642.db2.gz LLOPTUDQPHNEQR-SSDOTTSWSA-N -1 0 207.145 1.818 40 5 BDBBRM O=C([O-])C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000037222482 388238217 /nfs/dbraw/zinc/23/82/17/388238217.db2.gz QYOFKUAUGXLRSW-UHFFFAOYSA-N -1 0 234.167 1.343 40 5 BDBBRM C[C@@H]1Cc2cc([N+](=O)[O-])cc(C(=O)[O-])c2O1 ZINC000218820203 388392343 /nfs/dbraw/zinc/39/23/43/388392343.db2.gz ZHXWYZYHSLZQAC-RXMQYKEDSA-N -1 0 223.184 1.616 40 5 BDBBRM CCOc1nn(CCCC(=O)[O-])cc1[N+](=O)[O-] ZINC000253406835 388590246 /nfs/dbraw/zinc/59/02/46/388590246.db2.gz VAYJJGBSDSHTOU-UHFFFAOYSA-N -1 0 243.219 1.055 40 5 BDBBRM Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000117653495 388723600 /nfs/dbraw/zinc/72/36/00/388723600.db2.gz OBYHEFCXYWMPKR-UHFFFAOYSA-N -1 0 216.580 1.529 40 5 BDBBRM CC[C@H](C)n1ncc([N+](=O)[O-])c1C(=O)[O-] ZINC000408715806 133447480 /nfs/dbraw/zinc/44/74/80/133447480.db2.gz DZDOAFBGXPZICW-YFKPBYRVSA-N -1 0 213.193 1.461 40 5 BDBBRM CCOc1nn([C@H](CC)C(=O)[O-])cc1[N+](=O)[O-] ZINC000253400424 411490040 /nfs/dbraw/zinc/49/00/40/411490040.db2.gz LFTDSSZROBCEDQ-ZCFIWIBFSA-N -1 0 243.219 1.226 40 5 BDBBRM COc1cc([N+](=O)[O-])cc(C(C)=O)c1[O-] ZINC000001678781 175017684 /nfs/dbraw/zinc/01/76/84/175017684.db2.gz YXAQTQBNKODJMX-UHFFFAOYSA-N -1 0 211.173 1.512 40 5 BDBBRM C[C@H](C(=O)[O-])c1ccc(N)c([N+](=O)[O-])c1 ZINC000072207312 176586130 /nfs/dbraw/zinc/58/61/30/176586130.db2.gz BKSYOYRLJJVUAN-YFKPBYRVSA-N -1 0 210.189 1.365 40 5 BDBBRM O=c1cc([O-])c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000199774506 398206893 /nfs/dbraw/zinc/20/68/93/398206893.db2.gz QLPHVDAVIDAZOG-UHFFFAOYSA-N -1 0 206.157 1.142 40 5 BDBBRM C[C@@H](CC(=O)[O-])n1cc([N+](=O)[O-])c(C(F)F)n1 ZINC000408715562 133447650 /nfs/dbraw/zinc/44/76/50/133447650.db2.gz BSLLJRODYODDPW-BYPYZUCNSA-N -1 0 249.173 1.765 40 5 BDBBRM O=C([O-])Cn1ccc2cccc([N+](=O)[O-])c21 ZINC000157884893 344079009 /nfs/dbraw/zinc/07/90/09/344079009.db2.gz HBJYWPWXFBHZAF-UHFFFAOYSA-N -1 0 220.184 1.634 40 5 BDBBRM CC(=O)Nc1cc([O-])c(C=O)cc1[N+](=O)[O-] ZINC000096007016 191055495 /nfs/dbraw/zinc/05/54/95/191055495.db2.gz PZMPRWUOROEVMR-UHFFFAOYSA-N -1 0 224.172 1.071 40 5 BDBBRM CC(=O)Oc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000098213369 187629572 /nfs/dbraw/zinc/62/95/72/187629572.db2.gz CXXFEUYSCNJQFE-UHFFFAOYSA-N -1 0 225.156 1.218 40 5 BDBBRM O=C([O-])[C@H]1N=Nc2cccc([N+](=O)[O-])c21 ZINC000089195826 188303419 /nfs/dbraw/zinc/30/34/19/188303419.db2.gz LLOPTUDQPHNEQR-ZETCQYMHSA-N -1 0 207.145 1.818 40 5 BDBBRM CCN(c1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)[O-] ZINC000225003132 368063008 /nfs/dbraw/zinc/06/30/08/368063008.db2.gz ZUGWXGATSINGMB-QMMMGPOBSA-N -1 0 238.243 1.894 40 5 BDBBRM CC(=O)c1c[n-]c2ccc([N+](=O)[O-])cc2c1=O ZINC000225815874 371580463 /nfs/dbraw/zinc/58/04/63/371580463.db2.gz IFNLHTTUMDKTQZ-UHFFFAOYSA-N -1 0 232.195 1.639 40 5 BDBBRM O=[N+]([O-])c1cc(Br)cc(CO)c1[O-] ZINC000040546050 373460417 /nfs/dbraw/zinc/46/04/17/373460417.db2.gz LGDBUNPNDYVIDA-UHFFFAOYSA-N -1 0 248.032 1.555 40 5 BDBBRM O=C([O-])C1(c2ccccc2[N+](=O)[O-])CC1 ZINC000044689820 182425932 /nfs/dbraw/zinc/42/59/32/182425932.db2.gz KJBSVTAYVZKMDM-UHFFFAOYSA-N -1 0 207.185 1.711 40 5 BDBBRM O=C([O-])c1cc2nccnc2c([N+](=O)[O-])c1 ZINC000217718289 182559349 /nfs/dbraw/zinc/55/93/49/182559349.db2.gz MQZRJGRLRQLUFD-UHFFFAOYSA-N -1 0 219.156 1.236 40 5 BDBBRM O=C([O-])c1c[nH]c2c(cccc2[N+](=O)[O-])c1=O ZINC000005545970 182590927 /nfs/dbraw/zinc/59/09/27/182590927.db2.gz BMIZBCVEHSUUNO-UHFFFAOYSA-N -1 0 234.167 1.547 40 5 BDBBRM O=c1c2cc([N+](=O)[O-])ccc2[n-]cc1[N+](=O)[O-] ZINC000016697833 182942907 /nfs/dbraw/zinc/94/29/07/182942907.db2.gz YOFJDNXGWZPDCB-UHFFFAOYSA-N -1 0 235.155 1.757 40 5 BDBBRM O=C([O-])c1c[nH]nc1Cc1ccccc1[N+](=O)[O-] ZINC000071980909 384911692 /nfs/dbraw/zinc/91/16/92/384911692.db2.gz CUYQFLACUPKEBE-UHFFFAOYSA-N -1 0 247.210 1.607 40 5 BDBBRM CCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000005956205 351337586 /nfs/dbraw/zinc/33/75/86/351337586.db2.gz SYWMIOFIFBKHTK-UHFFFAOYSA-N -1 0 212.161 1.771 40 5 BDBBRM CNc1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000059489761 191134922 /nfs/dbraw/zinc/13/49/22/191134922.db2.gz GDZGAEKKPASYGT-UHFFFAOYSA-N -1 0 241.159 1.243 40 5 BDBBRM CC[C@@H](C(=O)[O-])n1cc([N+](=O)[O-])c(C(F)F)n1 ZINC000408716538 384352634 /nfs/dbraw/zinc/35/26/34/384352634.db2.gz NYUQVECXZUXLOM-BYPYZUCNSA-N -1 0 249.173 1.765 40 5 BDBBRM O=C([O-])C=CNc1cccc([N+](=O)[O-])c1 ZINC000100937250 384659762 /nfs/dbraw/zinc/65/97/62/384659762.db2.gz ZBERMOYIQPRSNM-SNAWJCMRSA-N -1 0 208.173 1.605 40 5 BDBBRM O=C([O-])C1(Oc2cccc([N+](=O)[O-])c2)CC1 ZINC000085392792 385159155 /nfs/dbraw/zinc/15/91/55/385159155.db2.gz OOZUDDOBIQNYHX-UHFFFAOYSA-N -1 0 223.184 1.591 40 5 BDBBRM O=C([O-])CCCn1ncc([N+](=O)[O-])c1C(F)F ZINC000408716089 133447407 /nfs/dbraw/zinc/44/74/07/133447407.db2.gz ITGCVNAVNINHKF-UHFFFAOYSA-N -1 0 249.173 1.594 40 5 BDBBRM O=C([O-])C[C@@H](C[N+](=O)[O-])c1cccc(F)c1 ZINC000217536245 411182035 /nfs/dbraw/zinc/18/20/35/411182035.db2.gz VSLBQYPDDBWCSS-QMMMGPOBSA-N -1 0 227.191 1.661 40 5 BDBBRM CCOc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC000003750874 170541797 /nfs/dbraw/zinc/54/17/97/170541797.db2.gz VAJLZGXUIFUUHK-UHFFFAOYSA-N -1 0 225.200 1.621 40 5 BDBBRM COc1ccc([N+](=O)[O-])c2ccc(C(=O)[O-])nc12 ZINC000001607923 175200654 /nfs/dbraw/zinc/20/06/54/175200654.db2.gz NEIJJUTWFPUIIZ-UHFFFAOYSA-N -1 0 248.194 1.850 40 5 BDBBRM O=C([O-])c1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002690352 359736245 /nfs/dbraw/zinc/73/62/45/359736245.db2.gz QBIQLTOUDBEJCV-UHFFFAOYSA-N -1 0 246.562 1.855 40 5 BDBBRM Cc1cc(-c2n[nH]cc2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000071980929 384907183 /nfs/dbraw/zinc/90/71/83/384907183.db2.gz LVPULKIBQNEDNS-UHFFFAOYSA-N -1 0 247.210 1.992 40 5 BDBBRM O=C([O-])c1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000051075267 322850978 /nfs/dbraw/zinc/85/09/78/322850978.db2.gz CISQMDBMEDATAY-UHFFFAOYSA-N -1 0 234.167 1.948 40 5 BDBBRM COCCOc1cc([N+](=O)[O-])sc1C(=O)[O-] ZINC000096511080 174367679 /nfs/dbraw/zinc/36/76/79/174367679.db2.gz XOPJDRMQOCSHHP-UHFFFAOYSA-N -1 0 247.228 1.380 40 5 BDBBRM O=c1c([N+](=O)[O-])c([O-])ccn1[C@@H]1CCCCO1 ZINC000256054000 398270589 /nfs/dbraw/zinc/27/05/89/398270589.db2.gz UNPABVNIUTZJIT-QMMMGPOBSA-N -1 0 240.215 1.161 40 5 BDBBRM CCOc1cc([O-])c(C(C)=O)cc1[N+](=O)[O-] ZINC000096291503 398317057 /nfs/dbraw/zinc/31/70/57/398317057.db2.gz COOZMYFLPFYSDY-UHFFFAOYSA-N -1 0 225.200 1.902 40 5 BDBBRM Cc1cccc2c([O-])c([N+](=O)[O-])c(=O)[nH]c12 ZINC000006161027 179211850 /nfs/dbraw/zinc/21/18/50/179211850.db2.gz QKVRYPMJNCQYGL-UHFFFAOYSA-N -1 0 220.184 1.450 40 5 BDBBRM CC[C@H](C)n1cc([N+](=O)[O-])c(C(=O)[O-])n1 ZINC000229733283 355262408 /nfs/dbraw/zinc/26/24/08/355262408.db2.gz YXQXOXTWDFRIFM-YFKPBYRVSA-N -1 0 213.193 1.461 40 5 BDBBRM COC(=O)c1cc(Br)c([N+](=O)[O-])[n-]1 ZINC000098091131 384039604 /nfs/dbraw/zinc/03/96/04/384039604.db2.gz CVNIZVUFUCODCK-UHFFFAOYSA-N -1 0 249.020 1.472 40 5 BDBBRM CC(C)Oc1nn([C@H](C)C(=O)[O-])cc1[N+](=O)[O-] ZINC000408715728 384351085 /nfs/dbraw/zinc/35/10/85/384351085.db2.gz CYBSLYBHOSMZIJ-ZCFIWIBFSA-N -1 0 243.219 1.224 40 5 BDBBRM Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c([O-])c1[N+](=O)[O-] ZINC000100940540 384658983 /nfs/dbraw/zinc/65/89/83/384658983.db2.gz YYGJRRYSYLLCQH-UHFFFAOYSA-N -1 0 243.131 1.425 40 5 BDBBRM COc1c([O-])ccc(C(C)=O)c1[N+](=O)[O-] ZINC000075629423 387303637 /nfs/dbraw/zinc/30/36/37/387303637.db2.gz ZOMXLWJRXFETOW-UHFFFAOYSA-N -1 0 211.173 1.512 40 5 BDBBRM Nc1cc(F)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000091252322 388607359 /nfs/dbraw/zinc/60/73/59/388607359.db2.gz LUOJJGUZYDDOBW-UHFFFAOYSA-N -1 0 200.125 1.014 40 5 BDBBRM CCOC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-] ZINC000037594100 170287375 /nfs/dbraw/zinc/28/73/75/170287375.db2.gz ANIGGJRHTJBCOD-UHFFFAOYSA-N -1 0 239.183 1.470 40 5 BDBBRM COc1cc(F)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000097447136 384215477 /nfs/dbraw/zinc/21/54/77/384215477.db2.gz OPMBKWCOJOGSDQ-UHFFFAOYSA-N -1 0 215.136 1.441 40 5 BDBBRM COC(=O)Cc1ccc([N+](=O)[O-])c([O-])c1 ZINC000118894030 384367174 /nfs/dbraw/zinc/36/71/74/384367174.db2.gz GKMFAKNUHMDTJS-UHFFFAOYSA-N -1 0 211.173 1.016 40 5 BDBBRM O=[N+]([O-])c1cc(Cl)c([O-])c(-n2cnnc2)c1 ZINC000216752242 384453566 /nfs/dbraw/zinc/45/35/66/384453566.db2.gz ABQYZNFDDAADBP-UHFFFAOYSA-N -1 0 240.606 1.535 40 5 BDBBRM Nc1cc(C(=O)[O-])c(F)cc1[N+](=O)[O-] ZINC000128276080 384703009 /nfs/dbraw/zinc/70/30/09/384703009.db2.gz HRPXUDHQMQEJFH-UHFFFAOYSA-N -1 0 200.125 1.014 40 5 BDBBRM CC(=O)c1cc([N+](=O)[O-])ccc1OCC(=O)[O-] ZINC000001617933 387110062 /nfs/dbraw/zinc/11/00/62/387110062.db2.gz PSUXXDHFQIYRSL-UHFFFAOYSA-N -1 0 239.183 1.261 40 5 BDBBRM O=Cc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 ZINC000002566092 388344711 /nfs/dbraw/zinc/34/47/11/388344711.db2.gz DFAVWLKOYKKDFX-UHFFFAOYSA-N -1 0 212.117 1.021 40 5 BDBBRM COc1cc([N+](=O)[O-])cc(C(=O)[O-])c1OC ZINC000057339921 175017686 /nfs/dbraw/zinc/01/76/86/175017686.db2.gz ZQAXATYFPVCKFM-UHFFFAOYSA-N -1 0 227.172 1.310 40 5 BDBBRM COc1cc([N+](=O)[O-])ccc1/C=C/C(=O)[O-] ZINC000005053126 175017826 /nfs/dbraw/zinc/01/78/26/175017826.db2.gz KAXCXSIBSOTTRN-HWKANZROSA-N -1 0 223.184 1.701 40 5 BDBBRM Cc1cc(O)c(C(=O)[O-])c(C)c1[N+](=O)[O-] ZINC000057339620 178194656 /nfs/dbraw/zinc/19/46/56/178194656.db2.gz RWISKRNUEGRICU-UHFFFAOYSA-N -1 0 211.173 1.615 40 5 BDBBRM O=C([O-])c1nn(C2CCCC2)cc1[N+](=O)[O-] ZINC000229733291 398284673 /nfs/dbraw/zinc/28/46/73/398284673.db2.gz KUHNUPOJWDAXFQ-UHFFFAOYSA-N -1 0 225.204 1.605 40 5 BDBBRM O=C([O-])c1cc2n[nH]cc2c([N+](=O)[O-])c1 ZINC000014983688 350225902 /nfs/dbraw/zinc/22/59/02/350225902.db2.gz HIXTUKCZSXGARG-UHFFFAOYSA-N -1 0 207.145 1.169 40 5 BDBBRM CCOc1cc(N)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000026894014 359529697 /nfs/dbraw/zinc/52/96/97/359529697.db2.gz VWEUQGXBVCSDPM-UHFFFAOYSA-N -1 0 226.188 1.274 40 5 BDBBRM CCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000070063305 384222662 /nfs/dbraw/zinc/22/26/62/384222662.db2.gz ROMSVCMZBKSXEH-UHFFFAOYSA-N -1 0 225.200 1.621 40 5 BDBBRM C[C@@H](Cn1cc([N+](=O)[O-])c(C(F)F)n1)C(=O)[O-] ZINC000408717426 384348986 /nfs/dbraw/zinc/34/89/86/384348986.db2.gz ZUQAIFKLCUDCJH-BYPYZUCNSA-N -1 0 249.173 1.450 40 5 BDBBRM CC(C)Oc1nn(CCC(=O)[O-])cc1[N+](=O)[O-] ZINC000408715753 384351092 /nfs/dbraw/zinc/35/10/92/384351092.db2.gz DEVAKNOHNBOMII-UHFFFAOYSA-N -1 0 243.219 1.053 40 5 BDBBRM COC(=O)C=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000001609577 387070243 /nfs/dbraw/zinc/07/02/43/387070243.db2.gz DEDHBEWHJGEANM-UHFFFAOYSA-N -1 0 223.184 1.341 40 5 BDBBRM O=C([O-])C1=NN(c2cccc([N+](=O)[O-])c2)C(=O)C1 ZINC000077425695 388675534 /nfs/dbraw/zinc/67/55/34/388675534.db2.gz RQAWRXMLZIWQRI-UHFFFAOYSA-N -1 0 249.182 1.184 40 5 BDBBRM COc1cc([N+](=O)[O-])c(OC)cc1C(=O)[O-] ZINC000098090995 175017633 /nfs/dbraw/zinc/01/76/33/175017633.db2.gz PJXARYLSADDODM-UHFFFAOYSA-N -1 0 227.172 1.310 40 5 BDBBRM Cc1[n-]c2ccc([N+](=O)[O-])cc2c(=O)c1[N+](=O)[O-] ZINC000017043964 177512498 /nfs/dbraw/zinc/51/24/98/177512498.db2.gz CNAPXVBHVOZFDE-UHFFFAOYSA-N -1 0 249.182 1.653 40 5 BDBBRM O=[N+]([O-])c1nc(Oc2ccccc2)n[n-]1 ZINC000095116196 644742338 /nfs/dbraw/zinc/74/23/38/644742338.db2.gz DCTAOVYVHVJQKX-UHFFFAOYSA-N -1 0 206.161 1.505 40 5 BDBBRM O=[N+]([O-])c1cc(-c2cc[nH]n2)ccc1[O-] ZINC000085393663 191008521 /nfs/dbraw/zinc/00/85/21/191008521.db2.gz BNIUGUKUTMFAEO-UHFFFAOYSA-N -1 0 205.173 1.691 40 5 BDBBRM COc1cc(C(=O)[O-])c(O)c([N+](=O)[O-])c1 ZINC000032233422 353610524 /nfs/dbraw/zinc/61/05/24/353610524.db2.gz DRYWDVOZWVCJEY-UHFFFAOYSA-N -1 0 213.145 1.007 40 5 BDBBRM O=C([O-])C[C@H](C[N+](=O)[O-])c1ccc(F)cc1 ZINC000057517557 182482237 /nfs/dbraw/zinc/48/22/37/182482237.db2.gz CRZUBFCVOITKNW-MRVPVSSYSA-N -1 0 227.191 1.661 40 5 BDBBRM CCCN(CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000038021182 169099309 /nfs/dbraw/zinc/09/93/09/169099309.db2.gz GYJIFIAJWXYBJO-UHFFFAOYSA-N -1 0 238.243 1.896 40 5 BDBBRM CC(C)(C(=O)[O-])n1cc([N+](=O)[O-])c(C(F)F)n1 ZINC000408716415 384352227 /nfs/dbraw/zinc/35/22/27/384352227.db2.gz MSPNOUBRDFCKQF-UHFFFAOYSA-N -1 0 249.173 1.549 40 5 BDBBRM C[C@H](Cn1cc([N+](=O)[O-])c(C(F)F)n1)C(=O)[O-] ZINC000408717427 384352951 /nfs/dbraw/zinc/35/29/51/384352951.db2.gz ZUQAIFKLCUDCJH-SCSAIBSYSA-N -1 0 249.173 1.450 40 5 BDBBRM O=c1cc(-c2cccc([N+](=O)[O-])c2)[n-]o1 ZINC000071976603 384887059 /nfs/dbraw/zinc/88/70/59/384887059.db2.gz MRVWBJWETPFOMW-UHFFFAOYSA-N -1 0 206.157 1.955 40 5 BDBBRM C[C@@H](C(=O)[O-])c1ccc(N)c([N+](=O)[O-])c1 ZINC000072207313 385064154 /nfs/dbraw/zinc/06/41/54/385064154.db2.gz BKSYOYRLJJVUAN-RXMQYKEDSA-N -1 0 210.189 1.365 40 5 BDBBRM Cc1cc(=O)oc2c(F)c([O-])c([N+](=O)[O-])cc12 ZINC000098211627 385215789 /nfs/dbraw/zinc/21/57/89/385215789.db2.gz OMZXTLOUTPXCCO-UHFFFAOYSA-N -1 0 239.158 1.854 40 5 BDBBRM O=C([O-])/C=C/c1cc(F)ccc1[N+](=O)[O-] ZINC000002504914 386116258 /nfs/dbraw/zinc/11/62/58/386116258.db2.gz IPLPFRYUGPCKGG-DAFODLJHSA-N -1 0 211.148 1.832 40 5 BDBBRM COc1cc([O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001686607 387368846 /nfs/dbraw/zinc/36/88/46/387368846.db2.gz IASWEPJOUWXONE-UHFFFAOYSA-N -1 0 214.133 1.217 40 5 BDBBRM O=C([O-])C(=O)Cc1cccc(Cl)c1[N+](=O)[O-] ZINC000001724813 387544929 /nfs/dbraw/zinc/54/49/29/387544929.db2.gz GOCKZCAEISJBQE-UHFFFAOYSA-N -1 0 243.602 1.444 40 5 BDBBRM Cc1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc1C(=O)[O-] ZINC000039320351 387573107 /nfs/dbraw/zinc/57/31/07/387573107.db2.gz WAQHWYDNCUPACU-UHFFFAOYSA-N -1 0 247.210 1.992 40 5 BDBBRM COc1c(C)cc([N+](=O)[O-])c(C)c1C(=O)[O-] ZINC000057339736 388357353 /nfs/dbraw/zinc/35/73/53/388357353.db2.gz KBBAZUXTQPQKNC-UHFFFAOYSA-N -1 0 225.200 1.918 40 5 BDBBRM Cc1c(=O)[nH][n-]c1-c1ccc([N+](=O)[O-])cc1 ZINC000100493942 176047648 /nfs/dbraw/zinc/04/76/48/176047648.db2.gz SDGQWCKSYIINAU-LURJTMIESA-N -1 0 219.200 1.065 40 5 BDBBRM CC[N@H+](CC(=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000038017892 343316655 /nfs/dbraw/zinc/31/66/55/343316655.db2.gz QYCJCMSQOGIMAY-UHFFFAOYSA-N -1 0 238.243 1.501 40 5 BDBBRM O=C([O-])[C@H]1CC(c2ccc([N+](=O)[O-])cc2)=NO1 ZINC000020594120 371301690 /nfs/dbraw/zinc/30/16/90/371301690.db2.gz LFUIGRHLASJTDI-SECBINFHSA-N -1 0 236.183 1.172 40 5 BDBBRM O=C([O-])[C@@H]1N=Nc2ccc([N+](=O)[O-])cc21 ZINC000199563805 182522843 /nfs/dbraw/zinc/52/28/43/182522843.db2.gz WRKLKSUNRUCEDU-SSDOTTSWSA-N -1 0 207.145 1.818 40 5 BDBBRM O=C([O-])c1conc1-c1cccc([N+](=O)[O-])c1 ZINC000226099776 182594043 /nfs/dbraw/zinc/59/40/43/182594043.db2.gz QAJDZHJXIFMGBM-UHFFFAOYSA-N -1 0 234.167 1.948 40 5 BDBBRM Cc1cn([C@H](C)CC(=O)[O-])nc1[N+](=O)[O-] ZINC000069760170 384171944 /nfs/dbraw/zinc/17/19/44/384171944.db2.gz MRNATYICNGDOQT-ZCFIWIBFSA-N -1 0 213.193 1.135 40 5 BDBBRM CCCCn1ncc([N+](=O)[O-])c1C(=O)[O-] ZINC000408716662 384351564 /nfs/dbraw/zinc/35/15/64/384351564.db2.gz PIOMFRJFNCJWPX-UHFFFAOYSA-N -1 0 213.193 1.290 40 5 BDBBRM CC(=O)Oc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1 ZINC000001693300 387418863 /nfs/dbraw/zinc/41/88/63/387418863.db2.gz UVGXMMKJDGQAEB-UHFFFAOYSA-N -1 0 242.143 1.134 40 5 BDBBRM COc1ccc([N+](=O)[O-])c(OCC(=O)[O-])c1 ZINC000163020888 388368557 /nfs/dbraw/zinc/36/85/57/388368557.db2.gz QQBCMIBYDFMFQA-UHFFFAOYSA-N -1 0 227.172 1.067 40 5 BDBBRM CCOc1c(C(=O)[O-])cc(OC)cc1[N+](=O)[O-] ZINC000225280857 388641188 /nfs/dbraw/zinc/64/11/88/388641188.db2.gz FXCQGUHUOCNUPN-UHFFFAOYSA-N -1 0 241.199 1.700 40 5 BDBBRM CCOc1cc(C(C)=O)c([O-])c([N+](=O)[O-])c1 ZINC000096295562 398317104 /nfs/dbraw/zinc/31/71/04/398317104.db2.gz OCPBIZXHHIZJOE-UHFFFAOYSA-N -1 0 225.200 1.902 40 5 BDBBRM O=C([O-])c1ccn2c(c1)nc1ccccc1c2=O ZINC000027859086 343537127 /nfs/dbraw/zinc/53/71/27/343537127.db2.gz VYVYBMNHIVRPGG-UHFFFAOYSA-N -1 0 240.218 1.546 40 5 BDBBRM Nc1c([N+](=O)[O-])ccc(Cl)c1C(=O)[O-] ZINC000020475947 344076467 /nfs/dbraw/zinc/07/64/67/344076467.db2.gz BJXKFUSWZOZDEH-UHFFFAOYSA-N -1 0 216.580 1.529 40 5 BDBBRM O=C([O-])Cc1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000072220756 344514175 /nfs/dbraw/zinc/51/41/75/344514175.db2.gz RPAWAJODKWLKEK-UHFFFAOYSA-N -1 0 247.210 1.612 40 5 BDBBRM O=C([O-])c1cc([N+](=O)[O-])ccc1NC1CC1 ZINC000019844607 354754275 /nfs/dbraw/zinc/75/42/75/354754275.db2.gz JGGKQGRYONQCMX-UHFFFAOYSA-N -1 0 222.200 1.867 40 5 BDBBRM O=C([O-])c1cnc2cccc([N+](=O)[O-])c2c1 ZINC000001722734 357180535 /nfs/dbraw/zinc/18/05/35/357180535.db2.gz NRLLDCUNEXQZDW-UHFFFAOYSA-N -1 0 218.168 1.841 40 5 BDBBRM O=C([O-])c1cc([N+](=O)[O-])n(C2CCCC2)n1 ZINC000020313952 357339425 /nfs/dbraw/zinc/33/94/25/357339425.db2.gz RRMKSQKIZORBQZ-UHFFFAOYSA-N -1 0 225.204 1.605 40 5 BDBBRM O=C([O-])c1cc([N+](=O)[O-])ccc1NCCCO ZINC000048013136 182558771 /nfs/dbraw/zinc/55/87/71/182558771.db2.gz CDYOXWKUDGTJFZ-UHFFFAOYSA-N -1 0 240.215 1.087 40 5 BDBBRM C[C@H](CC(=O)[O-])n1nc([N+](=O)[O-])cc1C1CC1 ZINC000408715747 384350434 /nfs/dbraw/zinc/35/04/34/384350434.db2.gz DCRDHQOMLWRLRS-ZCFIWIBFSA-N -1 0 239.231 1.704 40 5 BDBBRM O=C([O-])CCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000005483251 385202212 /nfs/dbraw/zinc/20/22/12/385202212.db2.gz IEODTOLGLBSUCD-UHFFFAOYSA-N -1 0 249.226 1.878 40 5 BDBBRM O=C([O-])c1cnc(Br)cc1[N+](=O)[O-] ZINC000225823677 388847627 /nfs/dbraw/zinc/84/76/27/388847627.db2.gz DXCCKVXDMGBPDN-UHFFFAOYSA-N -1 0 247.004 1.451 40 5 BDBBRM CCOC(=O)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000082046653 170295140 /nfs/dbraw/zinc/29/51/40/170295140.db2.gz VOFZDDBVIFBHIJ-UHFFFAOYSA-N -1 0 239.183 1.470 40 5 BDBBRM