smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Cl)c([N+](=O)[O-])cc1C(=O)[O-] ZINC000034520872 178061368 /nfs/dbraw/zinc/06/13/68/178061368.db2.gz KKNSDWSYFJIEKU-UHFFFAOYSA-N -1 0 215.592 2.255 50 5 BEBARM CC(C)(CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000026506957 187254722 /nfs/dbraw/zinc/25/47/22/187254722.db2.gz ITGQCQGQYJVSPE-UHFFFAOYSA-N -1 0 223.228 2.347 50 5 BEBARM Cc1c(Cl)c(C)c([N+](=O)[O-])c([O-])c1C=O ZINC000001509469 355899826 /nfs/dbraw/zinc/89/98/26/355899826.db2.gz QVMMXFNTUWSWHN-UHFFFAOYSA-N -1 0 229.619 2.383 50 5 BEBARM O=C([O-])c1cncc(-c2cccc([N+](=O)[O-])c2)c1 ZINC000035630006 358009092 /nfs/dbraw/zinc/00/90/92/358009092.db2.gz SCCBPJUNKJQITD-UHFFFAOYSA-N -1 0 244.206 2.355 50 5 BEBARM O=C([O-])c1cccc(-c2ccc([N+](=O)[O-])cn2)c1 ZINC000002563829 371585692 /nfs/dbraw/zinc/58/56/92/371585692.db2.gz NLHLQKGYMCYSQS-UHFFFAOYSA-N -1 0 244.206 2.355 50 5 BEBARM O=C([O-])c1cccc2c1cccc2[N+](=O)[O-] ZINC000002575262 371596082 /nfs/dbraw/zinc/59/60/82/371596082.db2.gz XOUKDQBDXPQJJI-UHFFFAOYSA-N -1 0 217.180 2.446 50 5 BEBARM O=C([O-])c1c(Br)cccc1[N+](=O)[O-] ZINC000034080222 182547993 /nfs/dbraw/zinc/54/79/93/182547993.db2.gz KWNBOCMNFKJJCK-UHFFFAOYSA-N -1 0 246.016 2.056 50 5 BEBARM CC(C)c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000097102715 384358714 /nfs/dbraw/zinc/35/87/14/384358714.db2.gz NSIHMQKOBYOBQO-UHFFFAOYSA-N -1 0 249.226 2.474 50 5 BEBARM CC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000000056938 384445609 /nfs/dbraw/zinc/44/56/09/384445609.db2.gz IUNBIQBAYUBIFD-UHFFFAOYSA-N -1 0 215.592 2.156 50 5 BEBARM O=Cc1ccc(-c2ccc([O-])c([N+](=O)[O-])c2)o1 ZINC000032256529 388393516 /nfs/dbraw/zinc/39/35/16/388393516.db2.gz ZDEXCJDRCDYNDC-UHFFFAOYSA-N -1 0 233.179 2.373 50 5 BEBARM CC(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1[O-] ZINC000002573984 166444740 /nfs/dbraw/zinc/44/47/40/166444740.db2.gz UQVHWGGRXQWGGY-UHFFFAOYSA-N -1 0 229.619 2.465 50 5 BEBARM CCC[C@@H](Nc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000004054768 411189239 /nfs/dbraw/zinc/18/92/39/411189239.db2.gz WUQPKOIIDMCMIF-SECBINFHSA-N -1 0 238.243 2.260 50 5 BEBARM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000040452083 170855221 /nfs/dbraw/zinc/85/52/21/170855221.db2.gz GXXVOCAHIFODMZ-VIFPVBQESA-N -1 0 223.228 2.248 50 5 BEBARM CN(C)c1ccc([N+](=O)[O-])c(Cl)c1C(=O)[O-] ZINC000536953494 323961636 /nfs/dbraw/zinc/96/16/36/323961636.db2.gz IHZCEKHQPLVMOO-UHFFFAOYSA-N -1 0 244.634 2.012 50 5 BEBARM Cc1cc([N+](=O)[O-])c(Cl)cc1C(=O)[O-] ZINC000095835599 178270046 /nfs/dbraw/zinc/27/00/46/178270046.db2.gz DBONDNSCEDDWDL-UHFFFAOYSA-N -1 0 215.592 2.255 50 5 BEBARM O=C([O-])c1cc([N+](=O)[O-])c(Cl)s1 ZINC000008698526 344488757 /nfs/dbraw/zinc/48/87/57/344488757.db2.gz FZKDYXWPDMALDM-UHFFFAOYSA-N -1 0 207.594 2.008 50 5 BEBARM O=[N+]([O-])c1ccc2sc(=S)[n-]c2c1 ZINC000000157639 344569180 /nfs/dbraw/zinc/56/91/80/344569180.db2.gz NFZDOFMXGCPMCX-UHFFFAOYSA-N -1 0 212.255 2.493 50 5 BEBARM COc1cc([N+](=O)[O-])cc(Br)c1[O-] ZINC000116172845 370742806 /nfs/dbraw/zinc/74/28/06/370742806.db2.gz ZVPTYZWBPLCFSO-UHFFFAOYSA-N -1 0 248.032 2.072 50 5 BEBARM CCSc1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000003618375 372030981 /nfs/dbraw/zinc/03/09/81/372030981.db2.gz WQYAONRUQVQXHA-UHFFFAOYSA-N -1 0 227.241 2.405 50 5 BEBARM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000034697137 182349791 /nfs/dbraw/zinc/34/97/91/182349791.db2.gz FVDCQXLTAFFROR-UHFFFAOYSA-N -1 0 248.194 2.146 50 5 BEBARM O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1[O-] ZINC000001693302 182924660 /nfs/dbraw/zinc/92/46/60/182924660.db2.gz FFRBMBIXVSCUFS-UHFFFAOYSA-N -1 0 234.167 2.362 50 5 in-vitro BEBARM O=[N+]([O-])c1cc(F)c(Br)cc1[O-] ZINC000148709637 384551252 /nfs/dbraw/zinc/55/12/52/384551252.db2.gz RYSFWISANLBRRZ-UHFFFAOYSA-N -1 0 235.996 2.202 50 5 BEBARM O=C([O-])Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000562679 385509781 /nfs/dbraw/zinc/50/97/81/385509781.db2.gz DUDZAZPWJFTDPV-UHFFFAOYSA-N -1 0 249.144 2.241 50 5 BEBARM O=C([O-])/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032255197 388394169 /nfs/dbraw/zinc/39/41/69/388394169.db2.gz QBDALTIMHOITIU-RQOWECAXSA-N -1 0 227.603 2.346 50 5 BEBARM CC(C)Oc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000005498330 167302416 /nfs/dbraw/zinc/30/24/16/167302416.db2.gz DNHIZLKKGAUBON-UHFFFAOYSA-N -1 0 225.200 2.080 50 5 BEBARM CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000003886821 169804999 /nfs/dbraw/zinc/80/49/99/169804999.db2.gz GFWRJXGWOSGFEZ-UHFFFAOYSA-N -1 0 238.243 2.139 50 5 BEBARM CC[C@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000002036985 171238289 /nfs/dbraw/zinc/23/82/89/171238289.db2.gz XBGNOMBPRQVJSR-VIFPVBQESA-N -1 0 209.201 2.173 50 5 BEBARM CCc1cc(C(C)=O)c([O-])c([N+](=O)[O-])c1 ZINC000002573985 171756199 /nfs/dbraw/zinc/75/61/99/171756199.db2.gz HRSNNEAZJXNKEX-UHFFFAOYSA-N -1 0 209.201 2.065 50 5 BEBARM CSc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000038063445 175579308 /nfs/dbraw/zinc/57/93/08/175579308.db2.gz CYOCVNINXORWNY-UHFFFAOYSA-N -1 0 213.214 2.015 50 5 BEBARM C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000006249499 177022441 /nfs/dbraw/zinc/02/24/41/177022441.db2.gz MGSNRRSHOLDFTO-YFKPBYRVSA-N -1 0 245.618 2.100 50 5 BEBARM Cc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1Cl ZINC000074937728 178269514 /nfs/dbraw/zinc/26/95/14/178269514.db2.gz SSFPPEHPQLGLCK-UHFFFAOYSA-N -1 0 232.579 2.170 50 5 BEBARM O=C([O-])c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000032263989 343231189 /nfs/dbraw/zinc/23/11/89/343231189.db2.gz KNRDPQQUAODUQR-UHFFFAOYSA-N -1 0 239.230 2.380 50 5 BEBARM O=[N+]([O-])c1ccc(-n2cccc2)c(O)c1 ZINC000004615055 343611383 /nfs/dbraw/zinc/61/13/83/343611383.db2.gz DZDJALIVRCUNIY-UHFFFAOYSA-N -1 0 204.185 2.091 50 5 BEBARM O=C([O-])c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000012956759 187932193 /nfs/dbraw/zinc/93/21/93/187932193.db2.gz JIQCKYQIVYCTEZ-UHFFFAOYSA-N -1 0 235.117 2.312 50 5 BEBARM Cc1c(Br)c([O-])ccc1[N+](=O)[O-] ZINC000001507294 355897515 /nfs/dbraw/zinc/89/75/15/355897515.db2.gz HTUNRWSWIRFPQX-UHFFFAOYSA-N -1 0 232.033 2.371 50 5 BEBARM O=[N+]([O-])c1ccc([O-])cc1Br ZINC000035636647 358009362 /nfs/dbraw/zinc/00/93/62/358009362.db2.gz SZYVPWPBRABKAB-UHFFFAOYSA-N -1 0 218.006 2.063 50 5 in-vitro BEBARM O=C([O-])c1ccc2ccccc2c1[N+](=O)[O-] ZINC000032137092 372149731 /nfs/dbraw/zinc/14/97/31/372149731.db2.gz RMWJWWYYJRAOMD-UHFFFAOYSA-N -1 0 217.180 2.446 50 5 BEBARM O=C([O-])c1cc([N+](=O)[O-])cc2ccccc21 ZINC000000345519 182558299 /nfs/dbraw/zinc/55/82/99/182558299.db2.gz JTNZIGOFCKHWDV-UHFFFAOYSA-N -1 0 217.180 2.446 50 5 BEBARM COC(=O)c1cc2ccccc2c([N+](=O)[O-])c1[O-] ZINC000000314253 384042224 /nfs/dbraw/zinc/04/22/24/384042224.db2.gz SMEAMGOZNIOEDU-UHFFFAOYSA-N -1 0 247.206 2.240 50 5 BEBARM O=C([O-])c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000072338575 384207874 /nfs/dbraw/zinc/20/78/74/384207874.db2.gz POSKCQXWHNDYKW-UHFFFAOYSA-N -1 0 235.117 2.312 50 5 BEBARM O=C([O-])C1(c2cccc([N+](=O)[O-])c2)CCC1 ZINC000059673279 384321790 /nfs/dbraw/zinc/32/17/90/384321790.db2.gz QBUXPHKPYHXRST-UHFFFAOYSA-N -1 0 221.212 2.101 50 5 BEBARM CC(C)[C@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000000467517 384700616 /nfs/dbraw/zinc/70/06/16/384700616.db2.gz VTVBRUYVJLLQEG-JTQLQIEISA-N -1 0 223.228 2.419 50 5 BEBARM C[C@@H](C(=O)[O-])n1ccc2cc([N+](=O)[O-])ccc21 ZINC000089643316 388357553 /nfs/dbraw/zinc/35/75/53/388357553.db2.gz XVVQKMBQYXEICD-ZETCQYMHSA-N -1 0 234.211 2.195 50 5 BEBARM O=[N+]([O-])c1ccc2c([O-])cc([N+](=O)[O-])cc2c1 ZINC000068675213 388714957 /nfs/dbraw/zinc/71/49/57/388714957.db2.gz OQPOALPVLHLVLH-UHFFFAOYSA-N -1 0 234.167 2.362 50 5 BEBARM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000003327263 176009841 /nfs/dbraw/zinc/00/98/41/176009841.db2.gz ACSMBGHECSLDPA-ZCFIWIBFSA-N -1 0 227.241 2.160 50 5 BEBARM O=C([O-])c1cc([N+](=O)[O-])ccc1Br ZINC000000056845 344097590 /nfs/dbraw/zinc/09/75/90/344097590.db2.gz UVFWYVCDRKRAJH-UHFFFAOYSA-N -1 0 246.016 2.056 50 5 BEBARM COc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1O ZINC000002519264 346509552 /nfs/dbraw/zinc/50/95/52/346509552.db2.gz WIUFCJKKYQZFGF-NSCUHMNNSA-N -1 0 229.619 2.302 50 5 BEBARM Cn1c(C(=O)[O-])ccc1-c1cccc([N+](=O)[O-])c1 ZINC000049531946 180614980 /nfs/dbraw/zinc/61/49/80/180614980.db2.gz JQTORBBORAMEQO-UHFFFAOYSA-N -1 0 246.222 2.299 50 5 BEBARM O=[N+]([O-])c1ccc([O-])cc1/C=C\c1ccncn1 ZINC000346924422 357172038 /nfs/dbraw/zinc/17/20/38/357172038.db2.gz OFAOXPBXCRWOPV-UPHRSURJSA-N -1 0 243.222 2.261 50 5 BEBARM O=C([O-])c1cccc2nc3ccccc3nc21 ZINC000004090655 358228276 /nfs/dbraw/zinc/22/82/76/358228276.db2.gz JGCSKOVQDXEQHI-UHFFFAOYSA-N -1 0 224.219 2.481 50 5 in-vitro BEBARM CCCC(=O)Nc1ccc([N+](=O)[O-])cc1[O-] ZINC000009190507 370417702 /nfs/dbraw/zinc/41/77/02/370417702.db2.gz YPKOXFIOZTVYDT-UHFFFAOYSA-N -1 0 224.216 2.039 50 5 BEBARM Nc1cc([N+](=O)[O-])c([O-])c2ccccc12 ZINC000019801365 371191064 /nfs/dbraw/zinc/19/10/64/371191064.db2.gz ANBUBGFZWBEEMR-UHFFFAOYSA-N -1 0 204.185 2.036 50 5 BEBARM CC(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000038418146 372582617 /nfs/dbraw/zinc/58/26/17/372582617.db2.gz RAYDAZNGWRHBJP-UHFFFAOYSA-N -1 0 239.227 2.256 50 5 BEBARM O=[N+]([O-])c1cccc(-c2ccc(=S)[nH]n2)c1 ZINC000041631077 374168322 /nfs/dbraw/zinc/16/83/22/374168322.db2.gz ORIBLMLTYCKGLC-UHFFFAOYSA-N -1 0 233.252 2.341 50 5 BEBARM O=C([O-])/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000056679 182411611 /nfs/dbraw/zinc/41/16/11/182411611.db2.gz QBDALTIMHOITIU-DUXPYHPUSA-N -1 0 227.603 2.346 50 5 BEBARM O=[N+]([O-])c1ccc(F)c(Br)c1[O-] ZINC000034139505 182932560 /nfs/dbraw/zinc/93/25/60/182932560.db2.gz AVUSAMCYDUMVNY-UHFFFAOYSA-N -1 0 235.996 2.202 50 5 BEBARM O=[N+]([O-])c1cccc(C(F)(F)F)c1[O-] ZINC000004419758 182943661 /nfs/dbraw/zinc/94/36/61/182943661.db2.gz FMPKXGYPBUWNNG-UHFFFAOYSA-N -1 0 207.107 2.319 50 5 BEBARM O=[N+]([O-])c1ccc(C(F)(F)F)c([O-])c1 ZINC000091366454 384123930 /nfs/dbraw/zinc/12/39/30/384123930.db2.gz MAYPOULSOMISHH-UHFFFAOYSA-N -1 0 207.107 2.319 50 5 BEBARM O=C([O-])C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000001512238 386704751 /nfs/dbraw/zinc/70/47/51/386704751.db2.gz QDCPXRWNBXWBPZ-UHFFFAOYSA-N -1 0 235.239 2.491 50 5 BEBARM O=[N+]([O-])c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000003832614 388387865 /nfs/dbraw/zinc/38/78/65/388387865.db2.gz FEJRBJIEEALTTL-UHFFFAOYSA-N -1 0 231.133 2.490 50 5 BEBARM O=[N+]([O-])c1cc(Br)c(F)cc1[O-] ZINC000042784482 388445486 /nfs/dbraw/zinc/44/54/86/388445486.db2.gz ZMSFGDZCAYKXOE-UHFFFAOYSA-N -1 0 235.996 2.202 50 5 BEBARM O=[N+]([O-])c1cc([O-])c(F)cc1Br ZINC000077028225 388672806 /nfs/dbraw/zinc/67/28/06/388672806.db2.gz FCGBLTVXZYYMCD-UHFFFAOYSA-N -1 0 235.996 2.202 50 5 BEBARM Cc1ccc([N+](=O)[O-])c2[nH]c(C(=O)[O-])cc21 ZINC000069476316 388722918 /nfs/dbraw/zinc/72/29/18/388722918.db2.gz JSUMKFMYTCTHTB-UHFFFAOYSA-N -1 0 220.184 2.083 50 5 BEBARM O=[N+]([O-])c1cc(Br)c([O-])cc1F ZINC000082237864 388724411 /nfs/dbraw/zinc/72/44/11/388724411.db2.gz SLYLDENEWMZMFV-UHFFFAOYSA-N -1 0 235.996 2.202 50 5 BEBARM O=[N+]([O-])c1ccc(N2CCCCC2)cc1[O-] ZINC000019851475 132327787 /nfs/dbraw/zinc/32/77/87/132327787.db2.gz DDKAQSBPHIORAR-UHFFFAOYSA-N -1 0 222.244 2.291 50 5 BEBARM CC(C)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000019400583 167303043 /nfs/dbraw/zinc/30/30/43/167303043.db2.gz MHNZLVZHPKIHLO-UHFFFAOYSA-N -1 0 225.200 2.080 50 5 BEBARM COc1cc(C)c(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000005724768 174953114 /nfs/dbraw/zinc/95/31/14/174953114.db2.gz RXFVKUIWJIYOHR-ONEGZZNKSA-N -1 0 237.211 2.010 50 5 BEBARM Cc1cc(CCCC(=O)[O-])c([N+](=O)[O-])cc1F ZINC000022007039 343870204 /nfs/dbraw/zinc/87/02/04/343870204.db2.gz FLDSODKYHOICTB-UHFFFAOYSA-N -1 0 241.218 2.450 50 5 BEBARM O=C([O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC000001676676 357105830 /nfs/dbraw/zinc/10/58/30/357105830.db2.gz AXRKIZCFYZBBPX-UHFFFAOYSA-N -1 0 246.016 2.056 50 5 BEBARM CC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000001687159 357132821 /nfs/dbraw/zinc/13/28/21/357132821.db2.gz HBYHYLBZPLCIEE-UHFFFAOYSA-N -1 0 226.188 2.332 50 5 BEBARM COC(OC)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000036046231 360545637 /nfs/dbraw/zinc/54/56/37/360545637.db2.gz RMPLEQAYPAOGBG-UHFFFAOYSA-N -1 0 247.634 2.245 50 5 BEBARM CCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000036342664 360943364 /nfs/dbraw/zinc/94/33/64/360943364.db2.gz ZENYDWLVVQXHOW-UHFFFAOYSA-N -1 0 224.216 2.039 50 5 BEBARM CCCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000095494784 169293427 /nfs/dbraw/zinc/29/34/27/169293427.db2.gz CBDBJRSTTWCHGK-UHFFFAOYSA-N -1 0 224.216 2.115 50 5 BEBARM Cc1ccc(O[C@@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000000085112 383940777 /nfs/dbraw/zinc/94/07/77/383940777.db2.gz DVKQGMJDHNBJLA-QMMMGPOBSA-N -1 0 239.227 2.145 50 5 BEBARM O=C([O-])CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004582624 384450029 /nfs/dbraw/zinc/45/00/29/384450029.db2.gz CUJKGDAPMSUCRL-UHFFFAOYSA-N -1 0 244.634 2.135 50 5 BEBARM O=[N+]([O-])c1cccc([O-])c1C(F)(F)F ZINC000097212627 384502447 /nfs/dbraw/zinc/50/24/47/384502447.db2.gz LAMAMUQIIAELJR-UHFFFAOYSA-N -1 0 207.107 2.319 50 5 BEBARM O=C([O-])c1ccc(Br)cc1[N+](=O)[O-] ZINC000002571659 387796944 /nfs/dbraw/zinc/79/69/44/387796944.db2.gz ZIRHHEZLJGORGU-UHFFFAOYSA-N -1 0 246.016 2.056 50 5 in-vitro BEBARM O=[N+]([O-])c1cc(OC(F)(F)F)ccc1[O-] ZINC000036533630 487762351 /nfs/dbraw/zinc/76/23/51/487762351.db2.gz FNQAEUBXLFDRKW-UHFFFAOYSA-N -1 0 223.106 2.199 50 5 BEBARM O=C([O-])CC(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000958528682 644808239 /nfs/dbraw/zinc/80/82/39/644808239.db2.gz YZSHMHVQFGQCRP-UHFFFAOYSA-N -1 0 231.154 2.161 50 5 BEBARM Cc1cc([O-])c(Br)cc1[N+](=O)[O-] ZINC000081947204 178194217 /nfs/dbraw/zinc/19/42/17/178194217.db2.gz BCDDQHXDORNHMC-UHFFFAOYSA-N -1 0 232.033 2.371 50 5 BEBARM Cc1cc(OC(C)(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC000001459502 178207172 /nfs/dbraw/zinc/20/71/72/178207172.db2.gz DFBNIRPZFNMCGB-UHFFFAOYSA-N -1 0 239.227 2.145 50 5 BEBARM CCc1c2cc([N+](=O)[O-])ccc2[nH]c1C(=O)[O-] ZINC000000551742 347000162 /nfs/dbraw/zinc/00/01/62/347000162.db2.gz OEEFADFZZDUNDL-UHFFFAOYSA-N -1 0 234.211 2.337 50 5 BEBARM Cc1cc(Br)c([O-])cc1[N+](=O)[O-] ZINC000034175002 346215639 /nfs/dbraw/zinc/21/56/39/346215639.db2.gz UNDCYNWWVCTFES-UHFFFAOYSA-N -1 0 232.033 2.371 50 5 BEBARM CSc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC000034202985 346224295 /nfs/dbraw/zinc/22/42/95/346224295.db2.gz VDIKJTUGYIOQTP-UHFFFAOYSA-N -1 0 213.214 2.015 50 5 BEBARM O=C([O-])c1ccc(Br)c([N+](=O)[O-])c1 ZINC000002563646 188274917 /nfs/dbraw/zinc/27/49/17/188274917.db2.gz RVCTZJVBWNFYRU-UHFFFAOYSA-N -1 0 246.016 2.056 50 5 BEBARM O=C([O-])c1cc(F)c(F)c([N+](=O)[O-])c1Cl ZINC000035333648 357186284 /nfs/dbraw/zinc/18/62/84/357186284.db2.gz VCDHXXPXZNMKSL-UHFFFAOYSA-N -1 0 237.545 2.225 50 5 BEBARM CCN(CC)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000003878597 372083647 /nfs/dbraw/zinc/08/36/47/372083647.db2.gz VOFUNOGTXBURFB-UHFFFAOYSA-N -1 0 238.243 2.139 50 5 BEBARM COc1cc(Br)c([O-])c([N+](=O)[O-])c1 ZINC000008729788 372862115 /nfs/dbraw/zinc/86/21/15/372862115.db2.gz GAVVLRJHVWIDPK-UHFFFAOYSA-N -1 0 248.032 2.072 50 5 BEBARM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccoc1 ZINC000089531478 182349552 /nfs/dbraw/zinc/34/95/52/182349552.db2.gz GQFTWIOIDCRDAX-UHFFFAOYSA-N -1 0 248.194 2.146 50 5 BEBARM O=C([O-])c1c(F)ccc([N+](=O)[O-])c1Cl ZINC000044225378 182548729 /nfs/dbraw/zinc/54/87/29/182548729.db2.gz KLIABKNSCATNJU-UHFFFAOYSA-N -1 0 219.555 2.086 50 5 BEBARM O=C([O-])c1cccc(Br)c1[N+](=O)[O-] ZINC000001700833 182576383 /nfs/dbraw/zinc/57/63/83/182576383.db2.gz JAURIZJCCFDGDI-UHFFFAOYSA-N -1 0 246.016 2.056 50 5 BEBARM O=[N+]([O-])c1ccc([O-])c(C(F)(F)F)c1 ZINC000032914724 182937845 /nfs/dbraw/zinc/93/78/45/182937845.db2.gz GWGZFNRFNIXCGH-UHFFFAOYSA-N -1 0 207.107 2.319 50 5 BEBARM CCOc1ccc([N+](=O)[O-])c(Cl)c1C(=O)[O-] ZINC000536953444 384804569 /nfs/dbraw/zinc/80/45/69/384804569.db2.gz IAHPEXCHDZQGGG-UHFFFAOYSA-N -1 0 245.618 2.345 50 5 BEBARM O=C([O-])Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000085471904 385197286 /nfs/dbraw/zinc/19/72/86/385197286.db2.gz JBBKHDVSQPUPHD-UHFFFAOYSA-N -1 0 249.144 2.241 50 5 BEBARM CSc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC000095883741 388788807 /nfs/dbraw/zinc/78/88/07/388788807.db2.gz QCGRWQKRLQGPSA-UHFFFAOYSA-N -1 0 213.214 2.015 50 5 BEBARM C/C(=C/C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000001749265 166232043 /nfs/dbraw/zinc/23/20/43/166232043.db2.gz APEDXSVBRQSCED-SREVYHEPSA-N -1 0 207.185 2.083 50 5 BEBARM COc1ccc(Br)c([O-])c1[N+](=O)[O-] ZINC000242688203 175051039 /nfs/dbraw/zinc/05/10/39/175051039.db2.gz VKMUUEFMOLCQPZ-UHFFFAOYSA-N -1 0 248.032 2.072 50 5 BEBARM C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000006249497 177023153 /nfs/dbraw/zinc/02/31/53/177023153.db2.gz FPVGJIAXEJMVRU-YFKPBYRVSA-N -1 0 245.618 2.100 50 5 BEBARM O=C([O-])c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000035242336 642387216 /nfs/dbraw/zinc/38/72/16/642387216.db2.gz BRLFBOIOJXWHEC-UHFFFAOYSA-N -1 0 244.206 2.355 50 5 BEBARM Cc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000117114442 178061190 /nfs/dbraw/zinc/06/11/90/178061190.db2.gz QVOBSRFDFRRCNC-UHFFFAOYSA-N -1 0 215.592 2.255 50 5 BEBARM O=[N+]([O-])c1cc(F)cc(Br)c1[O-] ZINC000002243119 398269924 /nfs/dbraw/zinc/26/99/24/398269924.db2.gz DFHGOCSWFGXYSQ-UHFFFAOYSA-N -1 0 235.996 2.202 50 5 BEBARM O=[N+]([O-])c1cc(Br)cc(F)c1[O-] ZINC000000056699 187244565 /nfs/dbraw/zinc/24/45/65/187244565.db2.gz ACQVEWFMUBXEMR-UHFFFAOYSA-N -1 0 235.996 2.202 50 5 BEBARM Cc1ccc([N+](=O)[O-])c(O[C@H](C)CC(=O)[O-])c1 ZINC000000085120 178930001 /nfs/dbraw/zinc/93/00/01/178930001.db2.gz PFIPNWXTGYADAY-MRVPVSSYSA-N -1 0 239.227 2.145 50 5 BEBARM O=c1c2cc(F)c(F)cc2[n-]cc1[N+](=O)[O-] ZINC000001430505 353753590 /nfs/dbraw/zinc/75/35/90/353753590.db2.gz OJAPWWXRKLAQCT-UHFFFAOYSA-N -1 0 226.138 2.127 50 5 BEBARM C[C@H](CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000002164835 363494592 /nfs/dbraw/zinc/49/45/92/363494592.db2.gz SXMKYMZERNKBMA-SSDOTTSWSA-N -1 0 209.201 2.173 50 5 BEBARM O=[N+]([O-])c1cc([O-])cc(Br)c1 ZINC000019801529 371190242 /nfs/dbraw/zinc/19/02/42/371190242.db2.gz VJQGLUHOAIZTNK-UHFFFAOYSA-N -1 0 218.006 2.063 50 5 BEBARM O=C([O-])c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000002525761 371568760 /nfs/dbraw/zinc/56/87/60/371568760.db2.gz BPCKZQCTLCTDST-UHFFFAOYSA-N -1 0 235.117 2.312 50 5 BEBARM O=C([O-])CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000011113827 182448542 /nfs/dbraw/zinc/44/85/42/182448542.db2.gz OCDDWDJKVJWSBP-UHFFFAOYSA-N -1 0 244.634 2.135 50 5 BEBARM O=C([O-])CCCc1ccccc1[N+](=O)[O-] ZINC000001724285 182441703 /nfs/dbraw/zinc/44/17/03/182441703.db2.gz BMGIMCRPRTWLTE-UHFFFAOYSA-N -1 0 209.201 2.002 50 5 BEBARM O=C([O-])Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000095495544 182490946 /nfs/dbraw/zinc/49/09/46/182490946.db2.gz WWYLSNCPPXAEER-UHFFFAOYSA-N -1 0 249.144 2.241 50 5 BEBARM O=[N+]([O-])c1ccc2[n-]c(=S)sc2c1 ZINC000012375137 182942402 /nfs/dbraw/zinc/94/24/02/182942402.db2.gz QPOZGXKWWKLJDK-UHFFFAOYSA-N -1 0 212.255 2.493 50 5 BEBARM O=C([O-])/C=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000000056677 384446515 /nfs/dbraw/zinc/44/65/15/384446515.db2.gz IHTLKLSRRSWIGD-DAFODLJHSA-N -1 0 227.603 2.346 50 5 biogenic,in-vitro BEBARM C[C@@H](C(=O)[O-])c1c(F)cc([N+](=O)[O-])cc1F ZINC000050888594 384521136 /nfs/dbraw/zinc/52/11/36/384521136.db2.gz BLZPGURBRHOGGM-SCSAIBSYSA-N -1 0 231.154 2.061 50 5 BEBARM O=C([O-])c1cccc2cccc([N+](=O)[O-])c21 ZINC000001600280 387069758 /nfs/dbraw/zinc/06/97/58/387069758.db2.gz USMKVLABRYGBJX-UHFFFAOYSA-N -1 0 217.180 2.446 50 5 BEBARM O=c1c2cc(Cl)ccc2[n-]cc1[N+](=O)[O-] ZINC000016697617 342914253 /nfs/dbraw/zinc/91/42/53/342914253.db2.gz OBLXWQXWGDQTSW-UHFFFAOYSA-N -1 0 224.603 2.090 50 5 BEBARM O=C([O-])c1cc([N+](=O)[O-])c(Cl)cc1F ZINC000002527710 371568542 /nfs/dbraw/zinc/56/85/42/371568542.db2.gz KAONECPATVTFST-UHFFFAOYSA-N -1 0 219.555 2.086 50 5 BEBARM CC[C@@H](Oc1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000002526141 371568749 /nfs/dbraw/zinc/56/87/49/371568749.db2.gz MWKMORRXGBNTIF-SECBINFHSA-N -1 0 239.227 2.145 50 5 BEBARM O=C([O-])CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000019422897 182449630 /nfs/dbraw/zinc/44/96/30/182449630.db2.gz JEGFZQMHMZIUJD-UHFFFAOYSA-N -1 0 245.618 2.102 50 5 BEBARM O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2[O-])o1 ZINC000098063952 182865046 /nfs/dbraw/zinc/86/50/46/182865046.db2.gz CNPJMCSIMPSNCV-UHFFFAOYSA-N -1 0 233.179 2.373 50 5 BEBARM O=[N+]([O-])c1cc(F)c([O-])c(Br)c1 ZINC000015444616 182923567 /nfs/dbraw/zinc/92/35/67/182923567.db2.gz YJBBEHQOMCJIGN-UHFFFAOYSA-N -1 0 235.996 2.202 50 5 BEBARM O=C([O-])CCCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000173366 383861554 /nfs/dbraw/zinc/86/15/54/383861554.db2.gz DZGXYWGULNCBPR-UHFFFAOYSA-N -1 0 237.211 2.032 50 5 BEBARM O=C([O-])c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000085224880 385059331 /nfs/dbraw/zinc/05/93/31/385059331.db2.gz XBARJDIECXHLTI-UHFFFAOYSA-N -1 0 235.117 2.312 50 5 BEBARM O=[N+]([O-])c1cc([O-])c(Br)c(F)c1 ZINC000075629632 387302975 /nfs/dbraw/zinc/30/29/75/387302975.db2.gz FMNRJMOKCKSPRL-UHFFFAOYSA-N -1 0 235.996 2.202 50 5 BEBARM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000040452084 388416529 /nfs/dbraw/zinc/41/65/29/388416529.db2.gz GXXVOCAHIFODMZ-SECBINFHSA-N -1 0 223.228 2.248 50 5 BEBARM O=C([O-])C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000067801565 388701228 /nfs/dbraw/zinc/70/12/28/388701228.db2.gz LCFMHXAUNXCFAH-UHFFFAOYSA-N -1 0 221.212 2.101 50 5 BEBARM CC(C)c1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000039087142 167591171 /nfs/dbraw/zinc/59/11/71/167591171.db2.gz MHMBAGATQNUECC-UHFFFAOYSA-N -1 0 209.201 2.416 50 5 BEBARM C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000002526130 176004866 /nfs/dbraw/zinc/00/48/66/176004866.db2.gz FPVGJIAXEJMVRU-RXMQYKEDSA-N -1 0 245.618 2.100 50 5 BEBARM Cc1cc([N+](=O)[O-])c(CC(=O)[O-])cc1Cl ZINC000095495545 178269643 /nfs/dbraw/zinc/26/96/43/178269643.db2.gz YNSRHOWGWYFOQN-UHFFFAOYSA-N -1 0 229.619 2.184 50 5 BEBARM CCOc1ccc([N+](=O)[O-])cc1/C=C/C(=O)[O-] ZINC000005953706 351337335 /nfs/dbraw/zinc/33/73/35/351337335.db2.gz UMXNLKBDMNEXIT-ZZXKWVIFSA-N -1 0 237.211 2.091 50 5 BEBARM CC(C)(CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000096316054 188500553 /nfs/dbraw/zinc/50/05/53/188500553.db2.gz QSRSGQNNRKJNJQ-UHFFFAOYSA-N -1 0 223.228 2.347 50 5 BEBARM O=[N+]([O-])c1ccc([O-])c(Br)c1 ZINC000001750322 358428772 /nfs/dbraw/zinc/42/87/72/358428772.db2.gz DCIPFSYBGTWYCR-UHFFFAOYSA-N -1 0 218.006 2.063 50 5 BEBARM COC(=O)c1cc([N+](=O)[O-])c2ccccc2c1[O-] ZINC000005042014 384407114 /nfs/dbraw/zinc/40/71/14/384407114.db2.gz BKJGTMMYYDMXBB-UHFFFAOYSA-N -1 0 247.206 2.240 50 5 BEBARM O=C([O-])/C=C/c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000032911318 384447754 /nfs/dbraw/zinc/44/77/54/384447754.db2.gz JMNMWGHQIABWLM-DUXPYHPUSA-N -1 0 233.179 2.439 50 5 BEBARM O=C([O-])CCSCc1ccc([N+](=O)[O-])cc1 ZINC000001687695 384438308 /nfs/dbraw/zinc/43/83/08/384438308.db2.gz TVPMRBXCJXXUNL-UHFFFAOYSA-N -1 0 241.268 2.303 50 5 BEBARM O=C([O-])c1ccc([N+](=O)[O-])cc1Br ZINC000001757911 322810696 /nfs/dbraw/zinc/81/06/96/322810696.db2.gz CEXGTXNIIFSPSF-UHFFFAOYSA-N -1 0 246.016 2.056 50 5 BEBARM Cc1cc(CCC(=O)[O-])cc(C)c1[N+](=O)[O-] ZINC000068675221 388715262 /nfs/dbraw/zinc/71/52/62/388715262.db2.gz PLTXHVQRCIWIBG-UHFFFAOYSA-N -1 0 223.228 2.229 50 5 BEBARM O=C([O-])c1ccc([N+](=O)[O-])c(Br)c1 ZINC000002529198 388718748 /nfs/dbraw/zinc/71/87/48/388718748.db2.gz KKPPNEJUUOQRLE-UHFFFAOYSA-N -1 0 246.016 2.056 50 5 BEBARM CC(C)Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000013276572 167145839 /nfs/dbraw/zinc/14/58/39/167145839.db2.gz NUPCSJZDHMGMBF-UHFFFAOYSA-N -1 0 224.216 2.113 50 5 BEBARM C[C@H](C(=O)[O-])c1c(F)cc([N+](=O)[O-])cc1F ZINC000050888593 176586275 /nfs/dbraw/zinc/58/62/75/176586275.db2.gz BLZPGURBRHOGGM-BYPYZUCNSA-N -1 0 231.154 2.061 50 5 BEBARM Cc1c(C(=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC000095845580 177571536 /nfs/dbraw/zinc/57/15/36/177571536.db2.gz KSLZRIXXMKXDEO-UHFFFAOYSA-N -1 0 215.592 2.255 50 5 BEBARM O=C([O-])c1cc2cc([N+](=O)[O-])ccc2cc1O ZINC000000208845 631877879 /nfs/dbraw/zinc/87/78/79/631877879.db2.gz SQLINTILAKQRPD-UHFFFAOYSA-N -1 0 233.179 2.152 50 5 BEBARM O=C([O-])c1cc([N+](=O)[O-])c(F)cc1Cl ZINC000004362878 342857422 /nfs/dbraw/zinc/85/74/22/342857422.db2.gz SYZKAFCPWNFONG-UHFFFAOYSA-N -1 0 219.555 2.086 50 5 BEBARM Cc1c(Br)ccc([O-])c1[N+](=O)[O-] ZINC000039392141 398329567 /nfs/dbraw/zinc/32/95/67/398329567.db2.gz HXNNJFUSAYWUFT-UHFFFAOYSA-N -1 0 232.033 2.371 50 5 BEBARM O=C([O-])c1cccc(-c2ccc([N+](=O)[O-])nc2)c1 ZINC000725271025 538102917 /nfs/dbraw/zinc/10/29/17/538102917.db2.gz YKAOJAMFLAKCFX-UHFFFAOYSA-N -1 0 244.206 2.355 50 5 BEBARM C[C@@H](CC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000002164833 363494432 /nfs/dbraw/zinc/49/44/32/363494432.db2.gz SXMKYMZERNKBMA-ZETCQYMHSA-N -1 0 209.201 2.173 50 5 BEBARM Cc1c(Cl)cc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000026508312 357158207 /nfs/dbraw/zinc/15/82/07/357158207.db2.gz STKVPMWGJYNHPT-UHFFFAOYSA-N -1 0 215.592 2.255 50 5 BEBARM CCCCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000001707944 357165768 /nfs/dbraw/zinc/16/57/68/357165768.db2.gz RITZSLUFIIRTTQ-UHFFFAOYSA-N -1 0 239.227 2.472 50 5 BEBARM Cn1c(C(=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1 ZINC000036917862 361578934 /nfs/dbraw/zinc/57/89/34/361578934.db2.gz FPHZUWIPRANASX-UHFFFAOYSA-N -1 0 246.222 2.299 50 5 BEBARM CSc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000002616116 371608313 /nfs/dbraw/zinc/60/83/13/371608313.db2.gz BPZVSOOQLVSCDF-UHFFFAOYSA-N -1 0 213.214 2.015 50 5 BEBARM O=[N+]([O-])c1cc([O-])c(F)c(C(F)(F)F)c1 ZINC000261493461 384330865 /nfs/dbraw/zinc/33/08/65/384330865.db2.gz BPFVFQDUZGXKNH-UHFFFAOYSA-N -1 0 225.097 2.458 50 5 BEBARM O=[N+]([O-])c1ccc([O-])c(OC(F)(F)F)c1 ZINC000085476722 385197505 /nfs/dbraw/zinc/19/75/05/385197505.db2.gz KNEILGXGOBNKRE-UHFFFAOYSA-N -1 0 223.106 2.199 50 5 BEBARM O=[N+]([O-])c1ccc([O-])c(-c2ccccn2)c1 ZINC000098213443 385214896 /nfs/dbraw/zinc/21/48/96/385214896.db2.gz JZTWSPJNEZBBNY-UHFFFAOYSA-N -1 0 216.196 2.362 50 5 BEBARM C[C@H](C(=O)[O-])n1ccc2cc([N+](=O)[O-])ccc21 ZINC000089643317 388357144 /nfs/dbraw/zinc/35/71/44/388357144.db2.gz XVVQKMBQYXEICD-SSDOTTSWSA-N -1 0 234.211 2.195 50 5 BEBARM Cn1c(C(=O)[O-])ccc1-c1ccccc1[N+](=O)[O-] ZINC000067299989 388405673 /nfs/dbraw/zinc/40/56/73/388405673.db2.gz XXKHDQQCAYCAMW-UHFFFAOYSA-N -1 0 246.222 2.299 50 5 BEBARM CC(C)Oc1c(C(=O)[O-])cccc1[N+](=O)[O-] ZINC000001669869 167284540 /nfs/dbraw/zinc/28/45/40/167284540.db2.gz IVVRRWKNAJCNEZ-UHFFFAOYSA-N -1 0 225.200 2.080 50 5 BEBARM CC(C)Oc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000019277103 167289536 /nfs/dbraw/zinc/28/95/36/167289536.db2.gz YRJMQBFZZKIYDN-UHFFFAOYSA-N -1 0 225.200 2.080 50 5 BEBARM Cc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000002504919 178354831 /nfs/dbraw/zinc/35/48/31/178354831.db2.gz BDDPVHVBYYSHBM-SNAWJCMRSA-N -1 0 207.185 2.001 50 5 BEBARM C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000004789765 191121423 /nfs/dbraw/zinc/12/14/23/191121423.db2.gz DMXDUJPYGUWROU-FNORWQNLSA-N -1 0 207.185 2.083 50 5 BEBARM O=C([O-])c1cccc([N+](=O)[O-])c1Br ZINC000000330043 188099470 /nfs/dbraw/zinc/09/94/70/188099470.db2.gz WTDJEGSXLFHZPY-UHFFFAOYSA-N -1 0 246.016 2.056 50 5 BEBARM O=C([O-])c1cc(Br)ccc1[N+](=O)[O-] ZINC000001692553 182553456 /nfs/dbraw/zinc/55/34/56/182553456.db2.gz FNINYRSNPGPWEL-UHFFFAOYSA-N -1 0 246.016 2.056 50 5 BEBARM O=C([O-])c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000000268833 182583494 /nfs/dbraw/zinc/58/34/94/182583494.db2.gz QMZRAQMJIYIJPV-UHFFFAOYSA-N -1 0 232.195 2.084 50 5 BEBARM Cc1ccc(O[C@H](C)CC(=O)[O-])c([N+](=O)[O-])c1 ZINC000000085113 383940733 /nfs/dbraw/zinc/94/07/33/383940733.db2.gz DVKQGMJDHNBJLA-MRVPVSSYSA-N -1 0 239.227 2.145 50 5 BEBARM O=[N+]([O-])c1c([O-])ccc(Br)c1F ZINC000071654836 384236394 /nfs/dbraw/zinc/23/63/94/384236394.db2.gz VQSACDGRYKNYRN-UHFFFAOYSA-N -1 0 235.996 2.202 50 5 BEBARM CC[C@@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000001602548 387070061 /nfs/dbraw/zinc/07/00/61/387070061.db2.gz XBGNOMBPRQVJSR-SECBINFHSA-N -1 0 209.201 2.173 50 5 BEBARM C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000001625473 387132456 /nfs/dbraw/zinc/13/24/56/387132456.db2.gz AWWVCUPVXCDDHS-SREVYHEPSA-N -1 0 207.185 2.083 50 5 BEBARM O=C([O-])c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000170618736 388257351 /nfs/dbraw/zinc/25/73/51/388257351.db2.gz DAMUJLIQLUVQGF-UHFFFAOYSA-N -1 0 244.206 2.355 50 5 BEBARM O=[N+]([O-])c1c([O-])cccc1C(F)(F)F ZINC000063110848 487601417 /nfs/dbraw/zinc/60/14/17/487601417.db2.gz KLWSGZHZNIOCPO-UHFFFAOYSA-N -1 0 207.107 2.319 50 5 BEBARM CC(C)CNc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000003913765 167017453 /nfs/dbraw/zinc/01/74/53/167017453.db2.gz DJQWTRGDTHEWOP-UHFFFAOYSA-N -1 0 238.243 2.361 50 5 BEBARM O=[N+]([O-])c1c([O-])cccc1Br ZINC000016125291 342906648 /nfs/dbraw/zinc/90/66/48/342906648.db2.gz AUORDBJGOHYGKR-UHFFFAOYSA-N -1 0 218.006 2.063 50 5 BEBARM O=[N+]([O-])c1c([O-])c(Br)ccc1F ZINC000091297292 187799059 /nfs/dbraw/zinc/79/90/59/187799059.db2.gz CQJOFGRGDPFXEA-UHFFFAOYSA-N -1 0 235.996 2.202 50 5 BEBARM CC[C@H](Oc1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000006048920 355463505 /nfs/dbraw/zinc/46/35/05/355463505.db2.gz JCYZYNZBXPNNEZ-JTQLQIEISA-N -1 0 239.227 2.145 50 5 BEBARM O=C([O-])c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000035575866 358001463 /nfs/dbraw/zinc/00/14/63/358001463.db2.gz AVBBEHFQLFYRGH-UHFFFAOYSA-N -1 0 235.117 2.312 50 5 BEBARM O=[N+]([O-])c1cccc([O-])c1Br ZINC000007023433 361176910 /nfs/dbraw/zinc/17/69/10/361176910.db2.gz HRVRWIBVVHOHNN-UHFFFAOYSA-N -1 0 218.006 2.063 50 5 BEBARM CC[C@@H](Oc1ccc([N+](=O)[O-])c(C)c1)C(=O)[O-] ZINC000002526142 363960207 /nfs/dbraw/zinc/96/02/07/363960207.db2.gz JCYZYNZBXPNNEZ-SNVBAGLBSA-N -1 0 239.227 2.145 50 5 BEBARM O=C([O-])CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005784690 182473715 /nfs/dbraw/zinc/47/37/15/182473715.db2.gz ANONGKPSZGTEJI-UHFFFAOYSA-N -1 0 247.659 2.425 50 5 BEBARM O=C([O-])c1cccnc1-c1cccc([N+](=O)[O-])c1 ZINC000008729954 182583224 /nfs/dbraw/zinc/58/32/24/182583224.db2.gz ITNITUABPMVBJY-UHFFFAOYSA-N -1 0 244.206 2.355 50 5 BEBARM O=C([O-])c1nc2ccccc2c2ncccc12 ZINC000000065142 383821425 /nfs/dbraw/zinc/82/14/25/383821425.db2.gz CZTCXHGJESMLCB-UHFFFAOYSA-N -1 0 224.219 2.481 50 5 BEBARM Cc1cc(Br)c([O-])c([N+](=O)[O-])c1 ZINC000002035716 383945651 /nfs/dbraw/zinc/94/56/51/383945651.db2.gz ABMPSIRCVCUHLO-UHFFFAOYSA-N -1 0 232.033 2.371 50 5 BEBARM O=C([O-])COc1ccc2ccccc2c1[N+](=O)[O-] ZINC000005739823 384127825 /nfs/dbraw/zinc/12/78/25/384127825.db2.gz SFCJJDUXVOQJMA-UHFFFAOYSA-N -1 0 247.206 2.211 50 5 BEBARM Cc1ccc(OC(C)(C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000002557828 384450365 /nfs/dbraw/zinc/45/03/65/384450365.db2.gz IUXQTPWVNRHRKE-UHFFFAOYSA-N -1 0 239.227 2.145 50 5 BEBARM O=C([O-])Cc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000019721711 386447430 /nfs/dbraw/zinc/44/74/30/386447430.db2.gz LOJIRIPMRUCZMI-UHFFFAOYSA-N -1 0 249.144 2.241 50 5 BEBARM O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000088121871 386830360 /nfs/dbraw/zinc/83/03/60/386830360.db2.gz JJVRJAIWWGHMNB-UHFFFAOYSA-N -1 0 219.555 2.086 50 5 BEBARM CC/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000001640013 387188822 /nfs/dbraw/zinc/18/88/22/387188822.db2.gz QMUHBYNLXQHZNR-TWGQIWQCSA-N -1 0 221.212 2.473 50 5 BEBARM O=[N+]([O-])c1ccc(F)c(C(F)(F)F)c1[O-] ZINC000094986222 388513356 /nfs/dbraw/zinc/51/33/56/388513356.db2.gz AQFUXULZYFMXBV-UHFFFAOYSA-N -1 0 225.097 2.458 50 5 BEBARM CC(C)ONC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004141348 167276001 /nfs/dbraw/zinc/27/60/01/167276001.db2.gz IRNMIMUWOSDHLW-UHFFFAOYSA-N -1 0 239.231 2.056 50 5 BEBARM CC(C)Nc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000019844581 167147761 /nfs/dbraw/zinc/14/77/61/167147761.db2.gz LYWIDGKTVMVONJ-UHFFFAOYSA-N -1 0 224.216 2.113 50 5 BEBARM CC(C)Oc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000032222153 167284076 /nfs/dbraw/zinc/28/40/76/167284076.db2.gz USHZRNJOYADWDS-UHFFFAOYSA-N -1 0 225.200 2.080 50 5 BEBARM CC(C)[C@@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000000467518 167347418 /nfs/dbraw/zinc/34/74/18/167347418.db2.gz VTVBRUYVJLLQEG-SNVBAGLBSA-N -1 0 223.228 2.419 50 5 BEBARM O=C([O-])c1cc(OCC2CC2)ccc1[N+](=O)[O-] ZINC000019870759 590023529 /nfs/dbraw/zinc/02/35/29/590023529.db2.gz QQGUWKHCQJOETE-UHFFFAOYSA-N -1 0 237.211 2.082 50 5 BEBARM O=C([O-])CCSc1ccc([N+](=O)[O-])cc1 ZINC000000275159 398332941 /nfs/dbraw/zinc/33/29/41/398332941.db2.gz RUFCXXWAWDPCQV-UHFFFAOYSA-N -1 0 227.241 2.162 50 5 BEBARM Cc1c2cc([N+](=O)[O-])ccc2[nH]c1C(=O)[O-] ZINC000000790611 350091470 /nfs/dbraw/zinc/09/14/70/350091470.db2.gz BUWLROXHVDVDKY-UHFFFAOYSA-N -1 0 220.184 2.083 50 5 BEBARM O=c1oc2cc(Cl)c([O-])c([N+](=O)[O-])c2s1 ZINC000003896007 188101816 /nfs/dbraw/zinc/10/18/16/188101816.db2.gz PIYCWIMSQRUMRH-UHFFFAOYSA-N -1 0 247.615 2.122 50 5 biogenic BEBARM CC(C)COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000019384575 188107294 /nfs/dbraw/zinc/10/72/94/188107294.db2.gz WLMYSSSLRUWRDV-UHFFFAOYSA-N -1 0 239.227 2.328 50 5 BEBARM CC[C@H](Oc1ccc(C)cc1[N+](=O)[O-])C(=O)[O-] ZINC000006048932 355463605 /nfs/dbraw/zinc/46/36/05/355463605.db2.gz MWKMORRXGBNTIF-VIFPVBQESA-N -1 0 239.227 2.145 50 5 BEBARM O=c1c2ccc(Cl)cc2[n-]cc1[N+](=O)[O-] ZINC000001555243 356701723 /nfs/dbraw/zinc/70/17/23/356701723.db2.gz ZCVZBMGSTIUGRP-UHFFFAOYSA-N -1 0 224.603 2.090 50 5 BEBARM CSc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000007814925 364453854 /nfs/dbraw/zinc/45/38/54/364453854.db2.gz WGHRQILGEUWYCX-UHFFFAOYSA-N -1 0 213.214 2.015 50 5 BEBARM O=C([O-])c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000002564826 371584743 /nfs/dbraw/zinc/58/47/43/371584743.db2.gz NIWGMOJIGTUDFT-UHFFFAOYSA-N -1 0 235.117 2.312 50 5 BEBARM O=C([O-])c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000000156287 182558498 /nfs/dbraw/zinc/55/84/98/182558498.db2.gz ODCLHXGXGFBBTA-UHFFFAOYSA-N -1 0 235.117 2.312 50 5 BEBARM O=C([O-])c1cc2ccc3ccccc3c2[nH]c1=O ZINC000004945633 384275450 /nfs/dbraw/zinc/27/54/50/384275450.db2.gz YZYNBFHGBFHRQS-UHFFFAOYSA-N -1 0 239.230 2.380 50 5 BEBARM O=c1oc2cc(O)ccc2c2ccc([O-])cc12 ZINC000013484727 384361588 /nfs/dbraw/zinc/36/15/88/384361588.db2.gz RIUPLDUFZCXCHM-UHFFFAOYSA-N -1 0 228.203 2.357 50 5 endogenous,in-man BEBARM O=[N+]([O-])c1cccc(OC(F)(F)F)c1[O-] ZINC000085476717 385195666 /nfs/dbraw/zinc/19/56/66/385195666.db2.gz UVLZLZHRZNVVGL-UHFFFAOYSA-N -1 0 223.106 2.199 50 5 BEBARM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)[O-] ZINC000007023212 387901757 /nfs/dbraw/zinc/90/17/57/387901757.db2.gz MNCAEAPELOWRRK-UHFFFAOYSA-N -1 0 209.201 2.218 50 5 BEBARM O=[N+]([O-])c1ccc(C(F)(F)F)cc1[O-] ZINC000091682326 388643482 /nfs/dbraw/zinc/64/34/82/388643482.db2.gz FVKYLHATVWKUMW-UHFFFAOYSA-N -1 0 207.107 2.319 50 5 BEBARM CC/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000019926298 388751928 /nfs/dbraw/zinc/75/19/28/388751928.db2.gz XIXMPQYDAHJQNN-VQHVLOKHSA-N -1 0 221.212 2.473 50 5 BEBARM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000001604830 177029558 /nfs/dbraw/zinc/02/95/58/177029558.db2.gz ACSMBGHECSLDPA-LURJTMIESA-N -1 0 227.241 2.160 50 5 BEBARM Cc1cc(OCC(=O)[O-])c([N+](=O)[O-])cc1Cl ZINC000002380256 178210001 /nfs/dbraw/zinc/21/00/01/178210001.db2.gz PQAJOTWEIQHUIQ-UHFFFAOYSA-N -1 0 245.618 2.020 50 5 BEBARM O=C([O-])c1ccccc1-c1ccc([N+](=O)[O-])cn1 ZINC000016698772 342914338 /nfs/dbraw/zinc/91/43/38/342914338.db2.gz LZILLRBYDMYDGM-UHFFFAOYSA-N -1 0 244.206 2.355 50 5 BEBARM Cc1ccc([N+](=O)[O-])c(O[C@@H](C)CC(=O)[O-])c1 ZINC000000085119 344244711 /nfs/dbraw/zinc/24/47/11/344244711.db2.gz PFIPNWXTGYADAY-QMMMGPOBSA-N -1 0 239.227 2.145 50 5 BEBARM O=[N+]([O-])c1cc(C(F)(F)F)ccc1[O-] ZINC000000156016 344569200 /nfs/dbraw/zinc/56/92/00/344569200.db2.gz XZEDEVRSUANQEM-UHFFFAOYSA-N -1 0 207.107 2.319 50 5 BEBARM C[C@H](C(=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000034623967 348077110 /nfs/dbraw/zinc/07/71/10/348077110.db2.gz ZUMGMEDTUNEISY-YFKPBYRVSA-N -1 0 229.619 2.436 50 5 BEBARM O=C([O-])c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000001081134 351004764 /nfs/dbraw/zinc/00/47/64/351004764.db2.gz MYSAXQPTXWKDPQ-UHFFFAOYSA-N -1 0 235.117 2.312 50 5 in-vitro BEBARM O=C([O-])c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000004521064 188101608 /nfs/dbraw/zinc/10/16/08/188101608.db2.gz BATAOFZEDHPRTM-UHFFFAOYSA-N -1 0 239.230 2.380 50 5 BEBARM CCC[C@H](Nc1ccccc1[N+](=O)[O-])C(=O)[O-] ZINC000004054766 169514089 /nfs/dbraw/zinc/51/40/89/169514089.db2.gz WUQPKOIIDMCMIF-VIFPVBQESA-N -1 0 238.243 2.260 50 5 BEBARM CC/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000005226999 384762774 /nfs/dbraw/zinc/76/27/74/384762774.db2.gz QMUHBYNLXQHZNR-RMKNXTFCSA-N -1 0 221.212 2.473 50 5 BEBARM Cc1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000062152887 385069175 /nfs/dbraw/zinc/06/91/75/385069175.db2.gz KWNYDIOUTKEIFL-UHFFFAOYSA-N -1 0 232.033 2.371 50 5 BEBARM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)[O-] ZINC000095829306 385663026 /nfs/dbraw/zinc/66/30/26/385663026.db2.gz XUPVOPCJDHFNAW-UHFFFAOYSA-N -1 0 215.592 2.255 50 5 BEBARM O=C([O-])CCCc1ccc([N+](=O)[O-])cc1 ZINC000004257835 388397338 /nfs/dbraw/zinc/39/73/38/388397338.db2.gz WQMLUHZFRFCQDB-UHFFFAOYSA-N -1 0 209.201 2.002 50 5 BEBARM O=C([O-])c1ccc([N+](=O)[O-])c2ccccc12 ZINC000004533369 388681711 /nfs/dbraw/zinc/68/17/11/388681711.db2.gz BQBFFSOHVNNCSP-UHFFFAOYSA-N -1 0 217.180 2.446 50 5 BEBARM O=[N+]([O-])c1ccc(Br)cc1[O-] ZINC000095079338 388757463 /nfs/dbraw/zinc/75/74/63/388757463.db2.gz DTWHNSNSUBKGTC-UHFFFAOYSA-N -1 0 218.006 2.063 50 5 in-vitro BEBARM O=C([O-])c1c[nH]cc1-c1ccccc1[N+](=O)[O-] ZINC000037245318 361776439 /nfs/dbraw/zinc/77/64/39/361776439.db2.gz ZONKYJWPYYDWNJ-UHFFFAOYSA-N -1 0 232.195 2.288 50 5 BEBARM O=C([O-])c1ccc2nc3ccccc3nc2c1 ZINC000004336732 342746756 /nfs/dbraw/zinc/74/67/56/342746756.db2.gz LFDLISNVRKBBAW-UHFFFAOYSA-N -1 0 224.219 2.481 50 5 BEBARM CCCNc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000003913732 342739776 /nfs/dbraw/zinc/73/97/76/342739776.db2.gz OVDGUTHABMXVMI-UHFFFAOYSA-N -1 0 224.216 2.115 50 5 in-vitro BEBARM O=C([O-])/C(F)=C(\F)c1ccccc1[N+](=O)[O-] ZINC000004529758 191119466 /nfs/dbraw/zinc/11/94/66/191119466.db2.gz YXLFNHDGNJYUBR-BQYQJAHWSA-N -1 0 229.138 2.287 50 5 BEBARM CC(C)COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000036225935 188113009 /nfs/dbraw/zinc/11/30/09/188113009.db2.gz OFVWCLJLGYDWJZ-UHFFFAOYSA-N -1 0 239.227 2.328 50 5 BEBARM O=C([O-])c1ccc(-c2ccc([N+](=O)[O-])cn2)cc1 ZINC000002563830 371585261 /nfs/dbraw/zinc/58/52/61/371585261.db2.gz XYMUGROHPQPRST-UHFFFAOYSA-N -1 0 244.206 2.355 50 5 BEBARM O=C([O-])c1ccc(-c2ncccc2[N+](=O)[O-])cc1 ZINC000008729890 372861421 /nfs/dbraw/zinc/86/14/21/372861421.db2.gz QQEXNJITHGFQCE-UHFFFAOYSA-N -1 0 244.206 2.355 50 5 BEBARM O=C([O-])c1cc(Cl)cc([N+](=O)[O-])c1F ZINC000035333702 182554490 /nfs/dbraw/zinc/55/44/90/182554490.db2.gz FFLWLOLRLIMBGA-UHFFFAOYSA-N -1 0 219.555 2.086 50 5 BEBARM O=[N+]([O-])c1cccc(Br)c1[O-] ZINC000002583500 182944032 /nfs/dbraw/zinc/94/40/32/182944032.db2.gz VEJSIOPQKQXJAT-UHFFFAOYSA-N -1 0 218.006 2.063 50 5 BEBARM O=[N+]([O-])c1ccc(Br)c([O-])c1 ZINC000091682324 388643843 /nfs/dbraw/zinc/64/38/43/388643843.db2.gz KNJNITQHVLIWBN-UHFFFAOYSA-N -1 0 218.006 2.063 50 5 BEBARM O=C([O-])CSc1ccc([N+](=O)[O-])cc1Cl ZINC000003884067 411431737 /nfs/dbraw/zinc/43/17/37/411431737.db2.gz RGWSUIQZUKJGEQ-UHFFFAOYSA-N -1 0 247.659 2.425 50 5 BEBARM Cc1cc([O-])c([N+](=O)[O-])cc1Br ZINC000066325569 178197576 /nfs/dbraw/zinc/19/75/76/178197576.db2.gz DNYRLBZBDGVLHF-UHFFFAOYSA-N -1 0 232.033 2.371 50 5 BEBARM Cc1cc([N+](=O)[O-])c([O-])cc1Br ZINC000062152886 178269870 /nfs/dbraw/zinc/26/98/70/178269870.db2.gz GFMIIMRPQYYMLY-UHFFFAOYSA-N -1 0 232.033 2.371 50 5 BEBARM O=C([O-])c1cc2ccccc2c([N+](=O)[O-])c1[O-] ZINC000000208488 344638873 /nfs/dbraw/zinc/63/88/73/344638873.db2.gz WLAMQCOVSYQBOE-UHFFFAOYSA-N -1 0 233.179 2.152 50 5 BEBARM O=C([O-])c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000000315635 344689783 /nfs/dbraw/zinc/68/97/83/344689783.db2.gz YCDWGNIQEQCQQW-UHFFFAOYSA-N -1 0 232.195 2.084 50 5 BEBARM O=[N+]([O-])c1cc2nc(Cl)[n-]c2cc1[N+](=O)[O-] ZINC000004963951 344864723 /nfs/dbraw/zinc/86/47/23/344864723.db2.gz LPHPDNLKJSQDQG-UHFFFAOYSA-N -1 0 242.578 2.033 50 5 BEBARM CC(C)(C)OC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000115438882 347354568 /nfs/dbraw/zinc/35/45/68/347354568.db2.gz BKEGVLBNSWGBDR-UHFFFAOYSA-N -1 0 239.227 2.256 50 5 BEBARM C[C@@H](C(=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000034623969 348076997 /nfs/dbraw/zinc/07/69/97/348076997.db2.gz ZUMGMEDTUNEISY-RXMQYKEDSA-N -1 0 229.619 2.436 50 5 BEBARM C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000004798049 187411755 /nfs/dbraw/zinc/41/17/55/187411755.db2.gz AWWVCUPVXCDDHS-VOTSOKGWSA-N -1 0 207.185 2.083 50 5 BEBARM Cc1c2cccc([N+](=O)[O-])c2[nH]c1C(=O)[O-] ZINC000000790614 350091630 /nfs/dbraw/zinc/09/16/30/350091630.db2.gz JMTOUTBAWYYGQY-UHFFFAOYSA-N -1 0 220.184 2.083 50 5 BEBARM O=[N+]([O-])c1cc([O-])c(Br)cc1F ZINC000016159351 356815826 /nfs/dbraw/zinc/81/58/26/356815826.db2.gz NVNFKCCUJKPLLT-UHFFFAOYSA-N -1 0 235.996 2.202 50 5 BEBARM CCSc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC000016192596 356868282 /nfs/dbraw/zinc/86/82/82/356868282.db2.gz MNYVMGOODLTJRY-UHFFFAOYSA-N -1 0 227.241 2.405 50 5 BEBARM Cc1cc(=O)oc2c(C)c([O-])c([N+](=O)[O-])cc12 ZINC000036031913 360543451 /nfs/dbraw/zinc/54/34/51/360543451.db2.gz FMANVVQEVGBGGQ-UHFFFAOYSA-N -1 0 235.195 2.024 50 5 biogenic BEBARM O=[N+]([O-])c1ccc([O-])c(-c2cccnc2)c1 ZINC000040457348 373274913 /nfs/dbraw/zinc/27/49/13/373274913.db2.gz RRPRRUOQKACXIE-UHFFFAOYSA-N -1 0 216.196 2.362 50 5 BEBARM O=[N+]([O-])c1ccc([O-])cc1/C=C/c1ccncn1 ZINC000157298333 384322022 /nfs/dbraw/zinc/32/20/22/384322022.db2.gz OFAOXPBXCRWOPV-OWOJBTEDSA-N -1 0 243.222 2.261 50 5 BEBARM C/C(=C\C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000005182319 384653578 /nfs/dbraw/zinc/65/35/78/384653578.db2.gz APEDXSVBRQSCED-VOTSOKGWSA-N -1 0 207.185 2.083 50 5 BEBARM CCCCOc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000004181844 386262399 /nfs/dbraw/zinc/26/23/99/386262399.db2.gz WBSCBTJMYWQFTH-UHFFFAOYSA-N -1 0 239.227 2.472 50 5 BEBARM CC(C)Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000095494785 167144362 /nfs/dbraw/zinc/14/43/62/167144362.db2.gz GELWNFNXTXIYIH-UHFFFAOYSA-N -1 0 224.216 2.113 50 5 BEBARM CCSc1ccc([N+](=O)[O-])cc1C(=O)[O-] ZINC000019869579 170655981 /nfs/dbraw/zinc/65/59/81/170655981.db2.gz IJTCOUXINTZYDS-UHFFFAOYSA-N -1 0 227.241 2.405 50 5 BEBARM COc1cc([N+](=O)[O-])c(C(=O)[O-])cc1SC ZINC000057218606 175018250 /nfs/dbraw/zinc/01/82/50/175018250.db2.gz GTAANEOXZIUSGB-UHFFFAOYSA-N -1 0 243.240 2.024 50 5 BEBARM C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000002526132 176004089 /nfs/dbraw/zinc/00/40/89/176004089.db2.gz MGSNRRSHOLDFTO-RXMQYKEDSA-N -1 0 245.618 2.100 50 5 BEBARM