smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)n(Cc2cccc([N+](=O)[O-])c2)n1 ZINC000000614343 177931133 /nfs/dbraw/zinc/93/11/33/177931133.db2.gz BWKJEOXJLBSEPF-UHFFFAOYSA-N 0 0 231.255 2.456 50 5 BEBARN O=[N+]([O-])c1nn(Cc2ccccc2)cc1Cl ZINC000000614325 259300760 /nfs/dbraw/zinc/30/07/60/259300760.db2.gz HDFAHRHMRNWOCY-UHFFFAOYSA-N 0 0 237.646 2.493 50 5 BEBARN Cc1cc(N[C@@H](C)CCO)ccc1[N+](=O)[O-] ZINC000072293786 178179363 /nfs/dbraw/zinc/17/93/63/178179363.db2.gz VICUFVMBVVIGQR-VIFPVBQESA-N 0 0 224.260 2.086 50 5 BEBARN COc1cc(/C=C/[N+](=O)[O-])c(OC)cc1C ZINC000000454985 342687674 /nfs/dbraw/zinc/68/76/74/342687674.db2.gz QSLCRKSFTSEYDC-SNAWJCMRSA-N 0 0 223.228 2.260 50 5 BEBARN CCCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000492003 346856566 /nfs/dbraw/zinc/85/65/66/346856566.db2.gz VXGYYWZDOBSZDA-UHFFFAOYSA-N 0 0 208.217 2.333 50 5 BEBARN Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000039796 342670953 /nfs/dbraw/zinc/67/09/53/342670953.db2.gz RIKJWJIWXCUKQV-UHFFFAOYSA-N 0 0 221.241 2.301 50 5 BEBARN C/C(=C\c1ccc2c(c1)OCO2)[N+](=O)[O-] ZINC000004692945 342750548 /nfs/dbraw/zinc/75/05/48/342750548.db2.gz CCEVJKZHAJJQJR-QPJJXVBHSA-N 0 0 207.185 2.053 50 5 BEBARN O=c1c2cc([N+](=O)[O-])ccc2[nH]c2c1CCCC2 ZINC000006659267 342780618 /nfs/dbraw/zinc/78/06/18/342780618.db2.gz BOULSGQSNUDFEB-UHFFFAOYSA-N 0 0 244.250 2.315 50 5 BEBARN O=c1[nH]c2ccccc2c2nc3ccccc3n21 ZINC000012495494 342852783 /nfs/dbraw/zinc/85/27/83/342852783.db2.gz FXLMBSXEKAGOTM-UHFFFAOYSA-N 0 0 235.246 2.329 50 5 BEBARN C[C@@H](O)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004401844 342862611 /nfs/dbraw/zinc/86/26/11/342862611.db2.gz XVONMMVMTMGHJV-ZCFIWIBFSA-N 0 0 230.651 2.041 50 5 BEBARN Cc1ccc(NC(=O)c2ccc[nH]2)cc1[N+](=O)[O-] ZINC000032743654 342871685 /nfs/dbraw/zinc/87/16/85/342871685.db2.gz XNKWROUVOMYWNS-UHFFFAOYSA-N 0 0 245.238 2.484 50 5 BEBARN C[C@H](C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000032906612 342901502 /nfs/dbraw/zinc/90/15/02/342901502.db2.gz DHTAANNPXLXJIU-SECBINFHSA-N 0 0 248.282 2.465 50 5 BEBARN O=[N+]([O-])c1ccc(N2CCSC2)c(F)c1 ZINC000141433022 398329461 /nfs/dbraw/zinc/32/94/61/398329461.db2.gz IWLIKOIMNYIWPM-UHFFFAOYSA-N 0 0 228.248 2.245 50 5 BEBARN CC(=O)Nc1ccc([N+](=O)[O-])c2c1CCCC2 ZINC000004127815 187246799 /nfs/dbraw/zinc/24/67/99/187246799.db2.gz PSYZTASDYLBHEM-UHFFFAOYSA-N 0 0 234.255 2.432 50 5 BEBARN CC1(C)Oc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2O1 ZINC000004127839 187246850 /nfs/dbraw/zinc/24/68/50/187246850.db2.gz PMYSRAAYCZPNHT-UHFFFAOYSA-N 0 0 240.171 2.010 50 5 BEBARN O=[N+]([O-])c1ccc(SC=C=CCO)cc1 ZINC000001863063 187245311 /nfs/dbraw/zinc/24/53/11/187245311.db2.gz RTOZNZRMMOKIKD-UHFFFAOYSA-N 0 0 223.253 2.348 50 5 BEBARN O=[N+]([O-])c1ccc(CN2CCSCC2)s1 ZINC000019536781 343271635 /nfs/dbraw/zinc/27/16/35/343271635.db2.gz KDEXSFJUFTYGEA-UHFFFAOYSA-N 0 0 244.341 2.205 50 5 BEBARN CCc1ccc(OCn2cc([N+](=O)[O-])cn2)cc1 ZINC000022637598 187254589 /nfs/dbraw/zinc/25/45/89/187254589.db2.gz YLZCVHQAVLXTET-UHFFFAOYSA-N 0 0 247.254 2.390 50 5 BEBARN O=[N+]([O-])c1cccc(OC(F)F)c1F ZINC000047203263 343558868 /nfs/dbraw/zinc/55/88/68/343558868.db2.gz RGFJFSJXVNUFLP-UHFFFAOYSA-N 0 0 207.107 2.335 50 5 BEBARN CCNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000071773871 187276923 /nfs/dbraw/zinc/27/69/23/187276923.db2.gz BVLGVAQGBQYMOC-UHFFFAOYSA-N 0 0 201.613 2.075 50 5 BEBARN Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C=O ZINC000000058616 344097563 /nfs/dbraw/zinc/09/75/63/344097563.db2.gz IKBFYOQMSYXGBI-UHFFFAOYSA-N 0 0 204.185 2.197 50 5 BEBARN CCN(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004776715 344205425 /nfs/dbraw/zinc/20/54/25/344205425.db2.gz INAOWOSITURWKE-UHFFFAOYSA-N 0 0 237.259 2.469 50 5 BEBARN CN(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000004773746 344206260 /nfs/dbraw/zinc/20/62/60/344206260.db2.gz OZKAWTHGBGLZKC-UHFFFAOYSA-N 0 0 200.625 2.314 50 5 BEBARN Cc1cc(C(=O)NCC2CC2)ccc1[N+](=O)[O-] ZINC000024758495 349910297 /nfs/dbraw/zinc/91/02/97/349910297.db2.gz JRUKZCSQZGANSC-UHFFFAOYSA-N 0 0 234.255 2.043 50 5 BEBARN Cc1cc(C(=O)NCC(C)C)ccc1[N+](=O)[O-] ZINC000000102160 344405661 /nfs/dbraw/zinc/40/56/61/344405661.db2.gz LHRLXDYTOOESDD-UHFFFAOYSA-N 0 0 236.271 2.289 50 5 BEBARN Cc1ccc(NC(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000000253689 344663841 /nfs/dbraw/zinc/66/38/41/344663841.db2.gz YWYUESXZXYADAG-UHFFFAOYSA-N 0 0 248.160 2.404 50 5 BEBARN COc1nsc2cc([N+](=O)[O-])cc(OC)c21 ZINC000000268493 344669979 /nfs/dbraw/zinc/66/99/79/344669979.db2.gz FCWTVGPXVHUSQD-UHFFFAOYSA-N 0 0 240.240 2.222 50 5 BEBARN O=[N+]([O-])c1cn(Cc2ccc(Cl)cc2)cn1 ZINC000000346706 344709326 /nfs/dbraw/zinc/70/93/26/344709326.db2.gz MQLZQOPJQAQZOC-UHFFFAOYSA-N 0 0 237.646 2.493 50 5 BEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(F)(F)F ZINC000000353680 344718379 /nfs/dbraw/zinc/71/83/79/344718379.db2.gz UODZESUIWJFIBH-UHFFFAOYSA-N 0 0 248.160 2.404 50 5 BEBARN CC(C)C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000005380305 346202719 /nfs/dbraw/zinc/20/27/19/346202719.db2.gz UVWFIVGTORQXLC-UHFFFAOYSA-N 0 0 226.207 2.328 50 5 BEBARN Cc1cc(-n2ccnc2)ccc1[N+](=O)[O-] ZINC000034300629 346244908 /nfs/dbraw/zinc/24/49/08/346244908.db2.gz HYTUDPOPONCSCM-UHFFFAOYSA-N 0 0 203.201 2.089 50 5 BEBARN Cc1cccc(NCCC(C)(C)O)c1[N+](=O)[O-] ZINC000225460383 179144515 /nfs/dbraw/zinc/14/45/15/179144515.db2.gz RIVHGVNZCLROMV-UHFFFAOYSA-N 0 0 238.287 2.476 50 5 BEBARN Cc1cnn(CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000096007421 179740610 /nfs/dbraw/zinc/74/06/10/179740610.db2.gz LGFLLZFIAZFUFU-UHFFFAOYSA-N 0 0 247.254 2.179 50 5 BEBARN Cc1nc2cc3ccccc3cc2c(=O)n1C ZINC000071773867 180086931 /nfs/dbraw/zinc/08/69/31/180086931.db2.gz LGOCQQTXUSXSLL-UHFFFAOYSA-N 0 0 224.263 2.395 50 5 BEBARN Cc1nc2cc(C)c(C)c([N+](=O)[O-])c2[nH]1 ZINC000004023635 180068356 /nfs/dbraw/zinc/06/83/56/180068356.db2.gz JQUPEWYRPIWRBP-UHFFFAOYSA-N 0 0 205.217 2.396 50 5 BEBARN Cc1c(Cl)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC000014985725 350229513 /nfs/dbraw/zinc/22/95/13/350229513.db2.gz VYTLFULGOMUAMK-UHFFFAOYSA-N 0 0 216.580 2.465 50 5 BEBARN Cc1nn(C)c(N2CCCCCC2)c1[N+](=O)[O-] ZINC000047330948 180354631 /nfs/dbraw/zinc/35/46/31/180354631.db2.gz PKWCUSFJDWTXRZ-UHFFFAOYSA-N 0 0 238.291 2.017 50 5 BEBARN Cc1nn(CC(=O)C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000003343925 180384659 /nfs/dbraw/zinc/38/46/59/180384659.db2.gz FSXIDWISSNTWNH-UHFFFAOYSA-N 0 0 239.275 2.023 50 5 BEBARN O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000034669950 350689124 /nfs/dbraw/zinc/68/91/24/350689124.db2.gz IBGIABCHEFKBQC-UHFFFAOYSA-N 0 0 222.225 2.012 50 5 BEBARN Cc1nsc(Br)c1[N+](=O)[O-] ZINC000001709549 180515254 /nfs/dbraw/zinc/51/52/54/180515254.db2.gz LISJYXUDWOEKBJ-UHFFFAOYSA-N 0 0 223.051 2.122 50 5 BEBARN O=[N+]([O-])c1ccc2c(c1[N+](=O)[O-])CCCC2 ZINC000003898867 351466023 /nfs/dbraw/zinc/46/60/23/351466023.db2.gz RIXRKKOALCVECA-UHFFFAOYSA-N 0 0 222.200 2.382 50 5 BEBARN O=[N+]([O-])c1cc(F)ccc1-c1cc[nH]n1 ZINC000725273313 538104883 /nfs/dbraw/zinc/10/48/83/538104883.db2.gz UKSSKVZFYHEDPP-UHFFFAOYSA-N 0 0 207.164 2.124 50 5 BEBARN CC(C)(C)Nc1c2nonc2ccc1[N+](=O)[O-] ZINC000004093885 352741730 /nfs/dbraw/zinc/74/17/30/352741730.db2.gz GAOBBAIZSWBHKL-UHFFFAOYSA-N 0 0 236.231 2.341 50 5 BEBARN Cn1nc2cc([N+](=O)[O-])ccc2c1Cl ZINC000095215838 180810051 /nfs/dbraw/zinc/81/00/51/180810051.db2.gz JLBKYTLFCUGBLD-UHFFFAOYSA-N 0 0 211.608 2.135 50 5 BEBARN CNc1ncc(Br)c(C)c1[N+](=O)[O-] ZINC000065337468 187958591 /nfs/dbraw/zinc/95/85/91/187958591.db2.gz FUXNDASZVILVLM-UHFFFAOYSA-N 0 0 246.064 2.102 50 5 BEBARN O=[N+]([O-])c1c(-c2ccccc2)nc2ncccn21 ZINC000045027522 188043890 /nfs/dbraw/zinc/04/38/90/188043890.db2.gz ZEIRIURBCDULCE-UHFFFAOYSA-N 0 0 240.222 2.305 50 5 BEBARN CC(=O)n1nc(Cl)c2cc([N+](=O)[O-])ccc21 ZINC000000160010 188272751 /nfs/dbraw/zinc/27/27/51/188272751.db2.gz DEEUMCDEYWSONU-UHFFFAOYSA-N 0 0 239.618 2.258 50 5 BEBARN O=[N+]([O-])c1cc2c(c(Br)c1)NCC2 ZINC000005389606 188277917 /nfs/dbraw/zinc/27/79/17/188277917.db2.gz WCSNLUZLJCPUDG-UHFFFAOYSA-N 0 0 243.060 2.325 50 5 BEBARN COc1ccc([N+](=O)[O-])c(C(F)(F)F)n1 ZINC000019615780 188281361 /nfs/dbraw/zinc/28/13/61/188281361.db2.gz FWMQACOAQFSACZ-UHFFFAOYSA-N 0 0 222.122 2.017 50 5 BEBARN O=[N+]([O-])c1cccc(Oc2cnns2)c1 ZINC000001388242 353337750 /nfs/dbraw/zinc/33/77/50/353337750.db2.gz IYIOOFRJCNYUQM-UHFFFAOYSA-N 0 0 223.213 2.239 50 5 BEBARN CC(C)(C)OC(=O)C(C)(C)C(C)(C)[N+](=O)[O-] ZINC000003074827 188336073 /nfs/dbraw/zinc/33/60/73/188336073.db2.gz BAODFBGHGFCGDS-UHFFFAOYSA-N 0 0 231.292 2.410 50 5 BEBARN O=[N+]([O-])c1c(F)cccc1N1CCSC1 ZINC000169725318 188338152 /nfs/dbraw/zinc/33/81/52/188338152.db2.gz HYHCWRQDOIQXRE-UHFFFAOYSA-N 0 0 228.248 2.245 50 5 BEBARN CC(C)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000020302567 188353404 /nfs/dbraw/zinc/35/34/04/188353404.db2.gz DQEAMVPZFBKDBM-UHFFFAOYSA-N 0 0 223.228 2.442 50 5 BEBARN O=[N+]([O-])c1ccc2c(c1)N1CCC2CC1 ZINC000100717826 353558813 /nfs/dbraw/zinc/55/88/13/353558813.db2.gz UEJJDRZSAFWMMU-UHFFFAOYSA-N 0 0 204.229 2.292 50 5 BEBARN O=[N+]([O-])c1cnc(Cl)nc1NC1CCCC1 ZINC000004243384 354633357 /nfs/dbraw/zinc/63/33/57/354633357.db2.gz WCBURNWVRFRXTK-UHFFFAOYSA-N 0 0 242.666 2.393 50 5 BEBARN NC(=O)c1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000263624344 181288395 /nfs/dbraw/zinc/28/83/95/181288395.db2.gz PMRODVGVSUSNPG-UHFFFAOYSA-N 0 0 235.026 2.001 50 5 BEBARN Nc1ccc(Br)c(F)c1[N+](=O)[O-] ZINC000016125715 356785296 /nfs/dbraw/zinc/78/52/96/356785296.db2.gz DTMANVRIDHGRKN-UHFFFAOYSA-N 0 0 235.012 2.079 50 5 BEBARN O=C(c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000001564584 356954803 /nfs/dbraw/zinc/95/48/03/356954803.db2.gz DKADZZGFYHQBFQ-UHFFFAOYSA-N 0 0 228.207 2.221 50 5 BEBARN CC(C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000035588019 358004539 /nfs/dbraw/zinc/00/45/39/358004539.db2.gz RIIMFWUBWCLODS-UHFFFAOYSA-N 0 0 248.282 2.136 50 5 BEBARN Cc1cc(Br)cnc1[N+](=O)[O-] ZINC000021982284 491119751 /nfs/dbraw/zinc/11/97/51/491119751.db2.gz VKFNGESSJFKZEK-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 BEBARN NC(=O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 ZINC000006923027 181299039 /nfs/dbraw/zinc/29/90/39/181299039.db2.gz XKICBDATFCLJBS-UHFFFAOYSA-N 0 0 249.270 2.048 50 5 BEBARN C[C@]1(CNc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000075611294 359341004 /nfs/dbraw/zinc/34/10/04/359341004.db2.gz LBLVQWZQSJLVSR-GFCCVEGCSA-N 0 0 236.271 2.433 50 5 BEBARN O=[N+]([O-])c1cc(C(F)(F)F)cnc1F ZINC000039340770 359740807 /nfs/dbraw/zinc/74/08/07/359740807.db2.gz GRBXIMNAPLIFHK-UHFFFAOYSA-N 0 0 210.086 2.148 50 5 BEBARN CN(C)c1cc([N+](=O)[O-])ccc1Cl ZINC000007023219 361176218 /nfs/dbraw/zinc/17/62/18/361176218.db2.gz NEDWDFYUMIRLQF-UHFFFAOYSA-N 0 0 200.625 2.314 50 5 BEBARN O=[N+]([O-])/C=C/c1ccc(/C=C/[N+](=O)[O-])cc1 ZINC000001703061 368685019 /nfs/dbraw/zinc/68/50/19/368685019.db2.gz ZMBDJGCBGDJQOP-KQQUZDAGSA-N 0 0 220.184 2.181 50 5 BEBARN O=[N+]([O-])c1ccc(-c2cc[nH]c(=S)n2)cc1 ZINC000020153829 371236631 /nfs/dbraw/zinc/23/66/31/371236631.db2.gz NUDDNAROSYKUJL-UHFFFAOYSA-N 0 0 233.252 2.341 50 5 BEBARN COC[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000021516727 371437177 /nfs/dbraw/zinc/43/71/77/371437177.db2.gz CGKXVRSFGQJDNK-QMMMGPOBSA-N 0 0 210.233 2.042 50 5 BEBARN Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000002513203 181720233 /nfs/dbraw/zinc/72/02/33/181720233.db2.gz QXIKEFNBFUHDHK-UHFFFAOYSA-N 0 0 222.122 2.076 50 5 BEBARN Cc1c(C=O)c(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000003124047 371878826 /nfs/dbraw/zinc/87/88/26/371878826.db2.gz YGZZZGAGZRVEIV-UHFFFAOYSA-N 0 0 238.199 2.241 50 5 BEBARN O=[N+]([O-])c1ccc2[nH]ccc(=S)c2c1 ZINC000003880256 372083807 /nfs/dbraw/zinc/08/38/07/372083807.db2.gz YWBMNPQXNSDMHE-UHFFFAOYSA-N 0 0 206.226 2.432 50 5 BEBARN CC(C)c1cc(N)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000004267295 372186684 /nfs/dbraw/zinc/18/66/84/372186684.db2.gz PKGBJCRFJHTPAG-UHFFFAOYSA-N 0 0 246.270 2.486 50 5 BEBARN O=[N+]([O-])c1ccc(-c2cn3ncsc3n2)cc1 ZINC000004301825 372199246 /nfs/dbraw/zinc/19/92/46/372199246.db2.gz KJVMKUGUQCRPKW-UHFFFAOYSA-N 0 0 246.251 2.366 50 5 BEBARN COc1ncc(Br)c(C)c1[N+](=O)[O-] ZINC000008698177 372852275 /nfs/dbraw/zinc/85/22/75/372852275.db2.gz BGDKJBCVNNWITN-UHFFFAOYSA-N 0 0 247.048 2.069 50 5 in-vitro BEBARN O=C(NC1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000006330164 182099854 /nfs/dbraw/zinc/09/98/54/182099854.db2.gz YPXSXXSEIMTSCO-UHFFFAOYSA-N 0 0 240.646 2.140 50 5 BEBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCC1 ZINC000008079811 182355373 /nfs/dbraw/zinc/35/53/73/182355373.db2.gz WEQHJYPUORBFHE-UHFFFAOYSA-N 0 0 238.218 2.473 50 5 BEBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000003897743 182362730 /nfs/dbraw/zinc/36/27/30/182362730.db2.gz PVQRRDXIBBXIQN-UHFFFAOYSA-N 0 0 243.222 2.242 50 5 BEBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000000040540 182371880 /nfs/dbraw/zinc/37/18/80/182371880.db2.gz NHQVTLVXDDSCLW-UHFFFAOYSA-N 0 0 243.222 2.242 50 5 BEBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000000290783 182372448 /nfs/dbraw/zinc/37/24/48/182372448.db2.gz FMHUFUKQFXAKPZ-UHFFFAOYSA-N 0 0 243.222 2.242 50 5 BEBARN O=[N+]([O-])CC(O)(c1ccccc1)c1ccccc1 ZINC000000500663 182919625 /nfs/dbraw/zinc/91/96/25/182919625.db2.gz VFWPBQCWPLTKBX-UHFFFAOYSA-N 0 0 243.262 2.199 50 5 BEBARN O=[N+]([O-])c1cc2c(cc1Cl)NCCO2 ZINC000040564749 182926106 /nfs/dbraw/zinc/92/61/06/182926106.db2.gz PHOQKCIJSNYPRZ-UHFFFAOYSA-N 0 0 214.608 2.053 50 5 BEBARN O=[N+]([O-])c1ccc(/C=C/c2cccc(CO)n2)o1 ZINC000004217117 182927143 /nfs/dbraw/zinc/92/71/43/182927143.db2.gz JQKHJQJVKRFMCO-SNAWJCMRSA-N 0 0 246.222 2.246 50 5 in-man BEBARN O=[N+]([O-])c1ccc(CO)c(C(F)(F)F)c1 ZINC000095642906 182930211 /nfs/dbraw/zinc/93/02/11/182930211.db2.gz PHXSMIURLXWUMB-UHFFFAOYSA-N 0 0 221.134 2.106 50 5 BEBARN CCCOc1ncc(Cl)cc1[N+](=O)[O-] ZINC000095751526 169328490 /nfs/dbraw/zinc/32/84/90/169328490.db2.gz FXBCHVPAZGFQSD-UHFFFAOYSA-N 0 0 216.624 2.432 50 5 BEBARN COC(=O)c1cc(OC)c(Cl)c([N+](=O)[O-])c1 ZINC000043827873 383985620 /nfs/dbraw/zinc/98/56/20/383985620.db2.gz QNYHMMOXMRPWTK-UHFFFAOYSA-N 0 0 245.618 2.043 50 5 BEBARN COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000039120349 384106402 /nfs/dbraw/zinc/10/64/02/384106402.db2.gz HWINPPGAOTYOJH-UHFFFAOYSA-N 0 0 229.619 2.343 50 5 BEBARN CN(Cc1ccco1)c1ccc([N+](=O)[O-])cn1 ZINC000022806351 384235667 /nfs/dbraw/zinc/23/56/67/384235667.db2.gz ZGEJTFYNVRBMJJ-UHFFFAOYSA-N 0 0 233.227 2.219 50 5 BEBARN Nc1n[nH]c2ncc3cc4ccccc4nc3c12 ZINC000095393616 384374256 /nfs/dbraw/zinc/37/42/56/384374256.db2.gz QGZFKVBYBREHFD-UHFFFAOYSA-N 0 0 235.250 2.242 50 5 BEBARN O=[N+]([O-])c1cccc(CN2CCSCC2)c1 ZINC000061283387 384382492 /nfs/dbraw/zinc/38/24/92/384382492.db2.gz ZRUOBZXHWOQHIC-UHFFFAOYSA-N 0 0 238.312 2.144 50 5 BEBARN COC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000047202454 384443497 /nfs/dbraw/zinc/44/34/97/384443497.db2.gz NPNQVXRWDIMHDX-UHFFFAOYSA-N 0 0 249.144 2.400 50 5 BEBARN CSCCCNc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000434 384588593 /nfs/dbraw/zinc/58/85/93/384588593.db2.gz DAUPLZLDHXTWLZ-UHFFFAOYSA-N 0 0 241.316 2.463 50 5 BEBARN CC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000005186795 384653544 /nfs/dbraw/zinc/65/35/44/384653544.db2.gz VWRRVRRXUGSDIR-UHFFFAOYSA-N 0 0 234.255 2.398 50 5 BEBARN O=[N+]([O-])c1cc2c(cc1-n1cccc1)OCO2 ZINC000052537265 384736521 /nfs/dbraw/zinc/73/65/21/384736521.db2.gz PFOJFBQHGFDFLO-UHFFFAOYSA-N 0 0 232.195 2.114 50 5 BEBARN O=[N+]([O-])c1cccnc1Nc1cccc(O)c1 ZINC000071405335 384873964 /nfs/dbraw/zinc/87/39/64/384873964.db2.gz BSFLBUQNINRPOU-UHFFFAOYSA-N 0 0 231.211 2.439 50 5 BEBARN CC(=O)Nc1cc2c(cccc2[N+](=O)[O-])o1 ZINC000005291466 384999654 /nfs/dbraw/zinc/99/96/54/384999654.db2.gz QAROPRVUJBMRMM-UHFFFAOYSA-N 0 0 220.184 2.299 50 5 BEBARN O=[N+]([O-])c1ccc(-c2nnc3n2CCCC3)cc1 ZINC000072334188 385200408 /nfs/dbraw/zinc/20/04/08/385200408.db2.gz JGQJMPXZZWWZTP-UHFFFAOYSA-N 0 0 244.254 2.190 50 5 BEBARN C[C@H](CO)SCc1ccccc1[N+](=O)[O-] ZINC000096430353 385168042 /nfs/dbraw/zinc/16/80/42/385168042.db2.gz MGASFQSPROSTNK-MRVPVSSYSA-N 0 0 227.285 2.209 50 5 BEBARN CCn1c2ccc([N+](=O)[O-])cc2nc1[C@H](C)O ZINC000014988481 386649092 /nfs/dbraw/zinc/64/90/92/386649092.db2.gz NDJGHNYIENKVSA-ZETCQYMHSA-N 0 0 235.243 2.018 50 5 BEBARN CCCCOc1ccc([N+](=O)[O-])cc1N ZINC000026840469 387081708 /nfs/dbraw/zinc/08/17/08/387081708.db2.gz ZQTPOMUMEJTURV-UHFFFAOYSA-N 0 0 210.233 2.356 50 5 BEBARN Cc1cc(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000001693301 177876246 /nfs/dbraw/zinc/87/62/46/177876246.db2.gz OFMLQCPPVSVIDD-UHFFFAOYSA-N 0 0 210.189 2.428 50 5 BEBARN O=[N+]([O-])c1ccncc1OCCC(F)(F)F ZINC000169725786 387974012 /nfs/dbraw/zinc/97/40/12/387974012.db2.gz JFZLVOUNZKVMIA-UHFFFAOYSA-N 0 0 236.149 2.321 50 5 BEBARN Cc1noc(C)c1COc1cccnc1[N+](=O)[O-] ZINC000036776320 388260354 /nfs/dbraw/zinc/26/03/54/388260354.db2.gz HCGFHPGKUUSGIO-UHFFFAOYSA-N 0 0 249.226 2.174 50 5 BEBARN Cc1nc(-c2ccc([N+](=O)[O-])c(C)c2)no1 ZINC000016970305 388374428 /nfs/dbraw/zinc/37/44/28/388374428.db2.gz DKFXECLFGXVICM-UHFFFAOYSA-N 0 0 219.200 2.262 50 5 BEBARN C[C@H](Nc1ccc([N+](=O)[O-])cc1F)C(C)(C)O ZINC000058161861 388376777 /nfs/dbraw/zinc/37/67/77/388376777.db2.gz QXAVVKIRERZGIL-ZETCQYMHSA-N 0 0 242.250 2.305 50 5 BEBARN CCCCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000058303991 388381090 /nfs/dbraw/zinc/38/10/90/388381090.db2.gz BQRLGYBVJVRHPP-UHFFFAOYSA-N 0 0 234.259 2.455 50 5 BEBARN CC(=O)c1cc(N2CCCC2)ccc1[N+](=O)[O-] ZINC000008763313 388408353 /nfs/dbraw/zinc/40/83/53/388408353.db2.gz QYRIEOSOMTUZBK-UHFFFAOYSA-N 0 0 234.255 2.398 50 5 BEBARN O=[N+]([O-])c1cn(CCCc2ccccc2)cn1 ZINC000069460462 388416541 /nfs/dbraw/zinc/41/65/41/388416541.db2.gz NFBWJFUUFUJMPB-UHFFFAOYSA-N 0 0 231.255 2.424 50 5 BEBARN Nc1cc(Br)cc(F)c1[N+](=O)[O-] ZINC000095080345 388757812 /nfs/dbraw/zinc/75/78/12/388757812.db2.gz PTQHTXBNGYMWER-UHFFFAOYSA-N 0 0 235.012 2.079 50 5 BEBARN O=[N+]([O-])c1cccc(F)c1N1CCCC1 ZINC000067800535 388700957 /nfs/dbraw/zinc/70/09/57/388700957.db2.gz QJQZIIGCNJGTMH-UHFFFAOYSA-N 0 0 210.208 2.334 50 5 BEBARN Cc1[nH]nc(Sc2ccccn2)c1[N+](=O)[O-] ZINC000018217666 388731694 /nfs/dbraw/zinc/73/16/94/388731694.db2.gz ZLKDMPIVTPKSDD-UHFFFAOYSA-N 0 0 236.256 2.173 50 5 BEBARN COC(=O)c1ccc([N+](=O)[O-])c(NC(C)C)c1 ZINC000095495543 388776597 /nfs/dbraw/zinc/77/65/97/388776597.db2.gz BTXXKLFDNHKKPJ-UHFFFAOYSA-N 0 0 238.243 2.202 50 5 BEBARN O=[N+]([O-])c1cccc(O)c1-n1cccc1 ZINC000095919690 388789534 /nfs/dbraw/zinc/78/95/34/388789534.db2.gz YNONTWRGAREEJY-UHFFFAOYSA-N 0 0 204.185 2.091 50 5 BEBARN O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CCC[C@H]1O ZINC000225724241 388843077 /nfs/dbraw/zinc/84/30/77/388843077.db2.gz UKGJUSBSYPVXLQ-LDYMZIIASA-N 0 0 240.234 2.059 50 5 BEBARN O=[N+]([O-])c1ccccc1N1CCSCC1 ZINC000059391784 132301944 /nfs/dbraw/zinc/30/19/44/132301944.db2.gz NEKPVRYSVKNVMG-UHFFFAOYSA-N 0 0 224.285 2.148 50 5 BEBARN C[C@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000005637788 132317748 /nfs/dbraw/zinc/31/77/48/132317748.db2.gz POMUPJOEFRLELI-UWVGGRQHSA-N 0 0 235.287 2.472 50 5 BEBARN CC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000000123366 168176061 /nfs/dbraw/zinc/17/60/61/168176061.db2.gz GUZQWLDWGVOZLL-UHFFFAOYSA-N 0 0 248.282 2.467 50 5 BEBARN CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000000231412 168176661 /nfs/dbraw/zinc/17/66/61/168176661.db2.gz KCBXNERIABHJHP-UHFFFAOYSA-N 0 0 248.282 2.467 50 5 BEBARN CC1CN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000170597206 168191619 /nfs/dbraw/zinc/19/16/19/168191619.db2.gz PHTZUEXLVBABAY-UHFFFAOYSA-N 0 0 210.208 2.190 50 5 BEBARN CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000082046896 170170598 /nfs/dbraw/zinc/17/05/98/170170598.db2.gz DCRXFLDXMBGJNE-UHFFFAOYSA-N 0 0 246.064 2.184 50 5 BEBARN CCNc1nc(Cl)ccc1[N+](=O)[O-] ZINC000034415204 170176792 /nfs/dbraw/zinc/17/67/92/170176792.db2.gz TXERJEKFMCQUFL-UHFFFAOYSA-N 0 0 201.613 2.075 50 5 BEBARN CCOC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000476376 170243708 /nfs/dbraw/zinc/24/37/08/170243708.db2.gz VECFDVGVZODXPQ-UHFFFAOYSA-N 0 0 228.179 2.302 50 5 BEBARN CCOC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000002169644 170243973 /nfs/dbraw/zinc/24/39/73/170243973.db2.gz ZSEVLTABICCPPU-UHFFFAOYSA-N 0 0 224.216 2.472 50 5 BEBARN CCOC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000004952158 170244125 /nfs/dbraw/zinc/24/41/25/170244125.db2.gz JZLZCBGFXWWBBC-UHFFFAOYSA-N 0 0 240.215 2.172 50 5 BEBARN CCOC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000004100931 170244129 /nfs/dbraw/zinc/24/41/29/170244129.db2.gz DYEMMKORTMGHJC-UHFFFAOYSA-N 0 0 240.215 2.172 50 5 BEBARN CCOC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000005257009 170244161 /nfs/dbraw/zinc/24/41/61/170244161.db2.gz NSDHLUMTUJWRBE-UHFFFAOYSA-N 0 0 224.216 2.472 50 5 BEBARN CCOC(=O)[C@@H](C)c1ccc([N+](=O)[O-])c(F)c1 ZINC000039328860 170248916 /nfs/dbraw/zinc/24/89/16/170248916.db2.gz BMOAQMNPJSPXIU-ZETCQYMHSA-N 0 0 241.218 2.401 50 5 BEBARN CCOC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000002577569 170291521 /nfs/dbraw/zinc/29/15/21/170291521.db2.gz UNTKSWGPXYYQGS-UHFFFAOYSA-N 0 0 209.201 2.080 50 5 BEBARN CCOC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000032222470 170292425 /nfs/dbraw/zinc/29/24/25/170292425.db2.gz RICLVXMCOVKPRW-UHFFFAOYSA-N 0 0 229.619 2.425 50 5 BEBARN CCOC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000039259527 170297664 /nfs/dbraw/zinc/29/76/64/170297664.db2.gz JFEBEHFIJNRGAT-UHFFFAOYSA-N 0 0 229.619 2.425 50 5 BEBARN CC[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])o1 ZINC000002546501 170762067 /nfs/dbraw/zinc/76/20/67/170762067.db2.gz BSVMKZQSUKHMQP-ZCFIWIBFSA-N 0 0 213.189 2.143 50 5 BEBARN CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005247760 171337697 /nfs/dbraw/zinc/33/76/97/171337697.db2.gz NQWMXRNYYFMIIL-QMMMGPOBSA-N 0 0 222.244 2.123 50 5 BEBARN CC[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000103214 171338380 /nfs/dbraw/zinc/33/83/80/171338380.db2.gz BTZIFNGDQSZILQ-QMMMGPOBSA-N 0 0 222.244 2.123 50 5 BEBARN CCc1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000024770640 172085589 /nfs/dbraw/zinc/08/55/89/172085589.db2.gz WHSUALZRTGJHOO-UHFFFAOYSA-N 0 0 249.226 2.119 50 5 BEBARN CCn1cc(COc2ccc([N+](=O)[O-])cc2)cn1 ZINC000072209591 172176844 /nfs/dbraw/zinc/17/68/44/172176844.db2.gz TWHCUSORCZBCFK-UHFFFAOYSA-N 0 0 247.254 2.390 50 5 BEBARN COCCOc1c(Cl)ccc([N+](=O)[O-])c1F ZINC000261494187 174366932 /nfs/dbraw/zinc/36/69/32/174366932.db2.gz RPPDXHNGBRZKNZ-UHFFFAOYSA-N 0 0 249.625 2.413 50 5 BEBARN COCCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000057881518 174368697 /nfs/dbraw/zinc/36/86/97/174368697.db2.gz FDKQZHZBUVSKDU-UHFFFAOYSA-N 0 0 231.635 2.273 50 5 BEBARN COc1cc(C)c([N+](=O)[O-])c2c(=O)ccoc12 ZINC000000381745 174964126 /nfs/dbraw/zinc/96/41/26/174964126.db2.gz JVGNJEKEHCFATF-UHFFFAOYSA-N 0 0 235.195 2.018 50 5 BEBARN COc1cc([N+](=O)[O-])ccc1OCC(F)F ZINC000072209424 175017649 /nfs/dbraw/zinc/01/76/49/175017649.db2.gz XKFRJCVDEUGIDG-UHFFFAOYSA-N 0 0 233.170 2.247 50 5 BEBARN COc1cc([N+](=O)[O-])ccc1-c1ccc(CO)o1 ZINC000000359382 175017995 /nfs/dbraw/zinc/01/79/95/175017995.db2.gz OOCLDNHWEUYUES-UHFFFAOYSA-N 0 0 249.222 2.356 50 5 BEBARN COc1ccc(/C=C(\C)[N+](=O)[O-])c(OC)c1 ZINC000005220655 175046420 /nfs/dbraw/zinc/04/64/20/175046420.db2.gz PCSLZZWXNFQQHN-SOFGYWHQSA-N 0 0 223.228 2.341 50 5 BEBARN COc1nc2cc([N+](=O)[O-])ccc2s1 ZINC000085554845 175396938 /nfs/dbraw/zinc/39/69/38/175396938.db2.gz RTCUQAOADSIOBB-UHFFFAOYSA-N 0 0 210.214 2.213 50 5 BEBARN C[C@@H](O)C(C)(C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000095447230 175945321 /nfs/dbraw/zinc/94/53/21/175945321.db2.gz OWYAABVFQWDZGM-SSDOTTSWSA-N 0 0 242.250 2.305 50 5 BEBARN C[C@H](C1CC1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000032906789 176592590 /nfs/dbraw/zinc/59/25/90/176592590.db2.gz DUAINLLWZHJWAT-MRVPVSSYSA-N 0 0 221.260 2.225 50 5 BEBARN O=[N+]([O-])c1ccnc2[nH]cc(C(F)(F)F)c21 ZINC000498050840 226330405 /nfs/dbraw/zinc/33/04/05/226330405.db2.gz GQRUPHFLMGESHL-UHFFFAOYSA-N 0 0 231.133 2.490 50 5 BEBARN Nc1cc(F)c(Br)cc1[N+](=O)[O-] ZINC000036533678 487762594 /nfs/dbraw/zinc/76/25/94/487762594.db2.gz UBANSCIKTQSEOQ-UHFFFAOYSA-N 0 0 235.012 2.079 50 5 BEBARN Cn1nc(Cl)c2cccc([N+](=O)[O-])c21 ZINC000038885307 322887553 /nfs/dbraw/zinc/88/75/53/322887553.db2.gz XMJAKLDPCWYSIM-UHFFFAOYSA-N 0 0 211.608 2.135 50 5 BEBARN CC/C=C\CCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000545929979 325248484 /nfs/dbraw/zinc/24/84/84/325248484.db2.gz VNRNHWOXIFIAOJ-PLNGDYQASA-N 0 0 236.271 2.421 50 5 BEBARN COC(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077020725 488147188 /nfs/dbraw/zinc/14/71/88/488147188.db2.gz HQVWYUZVGLAMBS-HYXAFXHYSA-N 0 0 241.630 2.434 50 5 BEBARN CCNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000121526132 490096820 /nfs/dbraw/zinc/09/68/20/490096820.db2.gz PPAYIXFULXNERL-UHFFFAOYSA-N 0 0 226.232 2.044 50 5 BEBARN CC(C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000000437450 517405168 /nfs/dbraw/zinc/40/51/68/517405168.db2.gz BMFSBIUYDCXFGP-UHFFFAOYSA-N 0 0 226.207 2.328 50 5 BEBARN C[C@@H]1CO[C@@H](c2ccc([N+](=O)[O-])cc2)O1 ZINC000140077943 582543461 /nfs/dbraw/zinc/54/34/61/582543461.db2.gz XDNXNKYDMUJERW-GMSGAONNSA-N 0 0 209.201 2.029 50 5 BEBARN [NH3+]Cc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000021984050 585025218 /nfs/dbraw/zinc/02/52/18/585025218.db2.gz NVQPKDBOSKBIEX-UHFFFAOYSA-N 0 0 221.043 2.360 50 5 in-vitro BEBARN Cc1cc(C)n(C(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000000247356 177922236 /nfs/dbraw/zinc/92/22/36/177922236.db2.gz SRYHHIKCZRBRLU-UHFFFAOYSA-N 0 0 245.238 2.097 50 5 BEBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CC1 ZINC000004056444 178270882 /nfs/dbraw/zinc/27/08/82/178270882.db2.gz OCPIIXYZBQDGKP-UHFFFAOYSA-N 0 0 220.228 2.252 50 5 BEBARN O=[N+]([O-])c1ccccc1Br ZINC000001596127 342705188 /nfs/dbraw/zinc/70/51/88/342705188.db2.gz ORPVVAKYSXQCJI-UHFFFAOYSA-N 0 0 202.007 2.357 50 5 BEBARN CN(C)c1ccc([N+](=O)[O-])cc1Br ZINC000005208178 342760204 /nfs/dbraw/zinc/76/02/04/342760204.db2.gz SITKZBWMJBVSID-UHFFFAOYSA-N 0 0 245.076 2.423 50 5 BEBARN O=[N+]([O-])c1cc(O)ccc1C(F)(F)F ZINC000016125562 342906607 /nfs/dbraw/zinc/90/66/07/342906607.db2.gz NIIKTULPELJXBP-UHFFFAOYSA-N 0 0 207.107 2.319 50 5 BEBARN Nc1ccc2c(c1)oc1cc(N)ccc1c2=O ZINC000039239483 342957921 /nfs/dbraw/zinc/95/79/21/342957921.db2.gz BIYCVSAOMJBWNN-UHFFFAOYSA-N 0 0 226.235 2.111 50 5 BEBARN O=c1[nH]c2ccc(F)cc2c(=O)c2ccccc21 ZINC000012360116 343079528 /nfs/dbraw/zinc/07/95/28/343079528.db2.gz UIAFVWOKKWDMGP-UHFFFAOYSA-N 0 0 241.221 2.181 50 5 BEBARN COc1ccc(Nc2ccc([N+](=O)[O-])cn2)cn1 ZINC000004739856 187247498 /nfs/dbraw/zinc/24/74/98/187247498.db2.gz NGBJBYRZWIIOLP-UHFFFAOYSA-N 0 0 246.226 2.137 50 5 BEBARN O=[N+]([O-])c1ccc(SC2=NCCS2)nc1 ZINC000001023899 187244887 /nfs/dbraw/zinc/24/48/87/187244887.db2.gz XXGWDTKTHLADOK-UHFFFAOYSA-N 0 0 241.297 2.185 50 5 BEBARN CC1(C)CNc2ccc([N+](=O)[O-])cc2O1 ZINC000038951697 343380888 /nfs/dbraw/zinc/38/08/88/343380888.db2.gz BOGRULXNEDXAHK-UHFFFAOYSA-N 0 0 208.217 2.178 50 5 BEBARN O=C(OCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000071803575 343384103 /nfs/dbraw/zinc/38/41/03/343384103.db2.gz CGNUKDSATNKJHB-UHFFFAOYSA-N 0 0 231.154 2.017 50 5 BEBARN CSc1nc(Cl)c([N+](=O)[O-])c(Cl)n1 ZINC000044689910 343512242 /nfs/dbraw/zinc/51/22/42/343512242.db2.gz GHAWBARMICSLQS-UHFFFAOYSA-N 0 0 240.071 2.414 50 5 BEBARN O=[N+]([O-])c1ccc(F)cc1OC(F)F ZINC000047203259 343558534 /nfs/dbraw/zinc/55/85/34/343558534.db2.gz ZVZMBGQCIYWPBE-UHFFFAOYSA-N 0 0 207.107 2.335 50 5 BEBARN O=[N+]([O-])c1c(F)cccc1N1CCCC1 ZINC000048567872 343583589 /nfs/dbraw/zinc/58/35/89/343583589.db2.gz MRRZTMRYKHWRSO-UHFFFAOYSA-N 0 0 210.208 2.334 50 5 BEBARN O=[N+]([O-])c1ccc(-n2ccnc2)c(Cl)c1 ZINC000004632149 343717959 /nfs/dbraw/zinc/71/79/59/343717959.db2.gz KOTLGSKWTAGNAD-UHFFFAOYSA-N 0 0 223.619 2.434 50 5 BEBARN Cc1ccc(N2CCCC2=O)cc1[N+](=O)[O-] ZINC000004727660 343975012 /nfs/dbraw/zinc/97/50/12/343975012.db2.gz DWKLLJZYVYIGIV-UHFFFAOYSA-N 0 0 220.228 2.030 50 5 BEBARN O=C(Oc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000000065354 344128518 /nfs/dbraw/zinc/12/85/18/344128518.db2.gz YIILCUGYQGMUJH-UHFFFAOYSA-N 0 0 244.206 2.209 50 5 BEBARN CC[C@@H](C(=O)OC)c1ccc([N+](=O)[O-])cc1 ZINC000014007385 344416934 /nfs/dbraw/zinc/41/69/34/344416934.db2.gz RJRSBLADCYAQKP-SNVBAGLBSA-N 0 0 223.228 2.261 50 5 BEBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)nc1 ZINC000000226556 344645972 /nfs/dbraw/zinc/64/59/72/344645972.db2.gz HJBBAOQLJXFKRX-UHFFFAOYSA-N 0 0 247.210 2.144 50 5 BEBARN Nc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC000005125331 344954262 /nfs/dbraw/zinc/95/42/62/344954262.db2.gz HCYDUPDSEDHSQB-UHFFFAOYSA-N 0 0 235.012 2.079 50 5 BEBARN O=[N+]([O-])c1ccc(-c2ccncc2F)cn1 ZINC000725242503 537985231 /nfs/dbraw/zinc/98/52/31/537985231.db2.gz LQMAWNQAUMWEOX-UHFFFAOYSA-N 0 0 219.175 2.191 50 5 BEBARN Cc1ccccc1-n1cnc([N+](=O)[O-])c1 ZINC000000349193 179242930 /nfs/dbraw/zinc/24/29/30/179242930.db2.gz CIQJUXNZDPOIJQ-UHFFFAOYSA-N 0 0 203.201 2.089 50 5 BEBARN Cc1cn(Cc2ccccc2)nc1[N+](=O)[O-] ZINC000095836801 179560095 /nfs/dbraw/zinc/56/00/95/179560095.db2.gz XOMNQNRWUFEIOV-UHFFFAOYSA-N 0 0 217.228 2.148 50 5 BEBARN CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000206832004 348690375 /nfs/dbraw/zinc/69/03/75/348690375.db2.gz MNCYASOVEQTTRC-UHFFFAOYSA-N 0 0 239.227 2.256 50 5 BEBARN O=[N+]([O-])c1c[nH]c(=S)c(Br)c1 ZINC000014982277 350228775 /nfs/dbraw/zinc/22/87/75/350228775.db2.gz JLXXADZVLHJOSA-UHFFFAOYSA-N 0 0 235.062 2.041 50 5 BEBARN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=O ZINC000019473508 180329661 /nfs/dbraw/zinc/32/96/61/180329661.db2.gz CWGQHJUSQIRUNY-UHFFFAOYSA-N 0 0 245.238 2.210 50 5 BEBARN Cc1nn(C)c(Nc2ccccc2)c1[N+](=O)[O-] ZINC000004409554 180359387 /nfs/dbraw/zinc/35/93/87/180359387.db2.gz NFOSQHSMEMKKJJ-UHFFFAOYSA-N 0 0 232.243 2.380 50 5 BEBARN Cc1nn(C)cc1COc1ccccc1[N+](=O)[O-] ZINC000012396588 180375057 /nfs/dbraw/zinc/37/50/57/180375057.db2.gz TUSGNQVHXSUVTH-UHFFFAOYSA-N 0 0 247.254 2.216 50 5 BEBARN Cc1nnc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000000616622 180396054 /nfs/dbraw/zinc/39/60/54/180396054.db2.gz FWNWWLPULDIZGU-UHFFFAOYSA-N 0 0 221.241 2.422 50 5 BEBARN Cc1noc(NC(=O)c2ccccc2)c1[N+](=O)[O-] ZINC000075251633 180493898 /nfs/dbraw/zinc/49/38/98/180493898.db2.gz LYZHPYCTOSLBRG-UHFFFAOYSA-N 0 0 247.210 2.144 50 5 BEBARN O=[N+]([O-])c1ccsc1Br ZINC000000967466 350953432 /nfs/dbraw/zinc/95/34/32/350953432.db2.gz BWMCPPKGEXBKSY-UHFFFAOYSA-N 0 0 208.036 2.419 50 5 BEBARN CC(C)COc1ccc([N+](=O)[O-])cc1C=O ZINC000034937344 351348975 /nfs/dbraw/zinc/34/89/75/351348975.db2.gz VSHUEZCTZHINBE-UHFFFAOYSA-N 0 0 223.228 2.442 50 5 BEBARN O=[N+]([O-])c1cccc([C@H](O)C(F)(F)F)c1 ZINC000000276231 188272169 /nfs/dbraw/zinc/27/21/69/188272169.db2.gz BCYCXBDVLORUCU-ZETCQYMHSA-N 0 0 221.134 2.191 50 5 BEBARN CC(=O)Nc1cc(OC(F)F)ccc1[N+](=O)[O-] ZINC000005446584 188277494 /nfs/dbraw/zinc/27/74/94/188277494.db2.gz QNCUIMVJRMYIAN-UHFFFAOYSA-N 0 0 246.169 2.155 50 5 BEBARN Nc1ccc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000004244902 354651072 /nfs/dbraw/zinc/65/10/72/354651072.db2.gz YCGFVAPIBALHRT-UHFFFAOYSA-N 0 0 222.122 2.076 50 5 BEBARN O=[N+]([O-])c1ccc2c(c1)CN(CC(F)F)CC2 ZINC000088606770 538575305 /nfs/dbraw/zinc/57/53/05/538575305.db2.gz AEBCWNSOJPJLDQ-UHFFFAOYSA-N 0 0 242.225 2.218 50 5 BEBARN NC(=O)c1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000231229204 359514428 /nfs/dbraw/zinc/51/44/28/359514428.db2.gz LMPPXMYJPZKDMH-UHFFFAOYSA-N 0 0 235.026 2.001 50 5 BEBARN Cc1ccc(N(/C=C/[N+](=O)[O-])/C=C/[N+](=O)[O-])cc1 ZINC000006546447 360046337 /nfs/dbraw/zinc/04/63/37/360046337.db2.gz MVDDGOZPVGHJMR-CDJQDVQCSA-N 0 0 249.226 2.297 50 5 BEBARN O=[N+]([O-])c1c[nH]c2nccc(Br)c12 ZINC000016678068 360432081 /nfs/dbraw/zinc/43/20/81/360432081.db2.gz BEPFGDZUAZYOHN-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN O=[N+]([O-])c1cc2n[nH]cc2cc1Br ZINC000016678003 360433066 /nfs/dbraw/zinc/43/30/66/360433066.db2.gz ATTOIRAMFAFXNA-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN O=Cc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000082237867 200664956 /nfs/dbraw/zinc/66/49/56/200664956.db2.gz QLLHNXOKFCMSQR-UHFFFAOYSA-N 0 0 219.118 2.426 50 5 BEBARN CC(=O)CSCc1cccc([N+](=O)[O-])c1 ZINC000081273580 370864536 /nfs/dbraw/zinc/86/45/36/370864536.db2.gz RPFOBQMHCDHTTC-UHFFFAOYSA-N 0 0 225.269 2.417 50 5 BEBARN CCOc1ccc([N+](=O)[O-])cc1NC(=O)CC ZINC000002518965 371145147 /nfs/dbraw/zinc/14/51/47/371145147.db2.gz IRCWXOXMYYBUJL-UHFFFAOYSA-N 0 0 238.243 2.342 50 5 BEBARN O=[N+]([O-])c1cnc2ccc(Br)cn21 ZINC000020358104 371271350 /nfs/dbraw/zinc/27/13/50/371271350.db2.gz UNZUDRAJUWZDNT-UHFFFAOYSA-N 0 0 242.032 2.005 50 5 BEBARN Nc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1 ZINC000002573076 181690335 /nfs/dbraw/zinc/69/03/35/181690335.db2.gz NWCLYURCWSIPSZ-UHFFFAOYSA-N 0 0 231.211 2.364 50 5 BEBARN O=[N+]([O-])c1ccc(-n2nccc2Cl)cc1 ZINC000003132163 371884177 /nfs/dbraw/zinc/88/41/77/371884177.db2.gz ZHNLKYJYAQPZNK-UHFFFAOYSA-N 0 0 223.619 2.434 50 5 BEBARN O=[N+]([O-])c1cc(-c2c[nH]cn2)ccc1F ZINC000003888458 372084530 /nfs/dbraw/zinc/08/45/30/372084530.db2.gz ZOADEDCOQAVFBO-UHFFFAOYSA-N 0 0 207.164 2.124 50 5 BEBARN CCc1cc([N+](=O)[O-])ccc1NC(C)=O ZINC000004128010 372148204 /nfs/dbraw/zinc/14/82/04/372148204.db2.gz ASOOAPOLRJYEQP-UHFFFAOYSA-N 0 0 208.217 2.116 50 5 BEBARN CN1c2ccc([N+](=O)[O-])c3cccc(c23)C1=O ZINC000004258143 372186124 /nfs/dbraw/zinc/18/61/24/372186124.db2.gz YXFUMAKWWQNBCY-UHFFFAOYSA-N 0 0 228.207 2.338 50 5 BEBARN Cc1ccc(C)n1N(C)c1ccc([N+](=O)[O-])cn1 ZINC000004306605 372200739 /nfs/dbraw/zinc/20/07/39/372200739.db2.gz CQOZERHTJFJURW-UHFFFAOYSA-N 0 0 246.270 2.308 50 5 BEBARN O=[N+]([O-])c1cc2cccnc2c([N+](=O)[O-])c1 ZINC000038252302 372526472 /nfs/dbraw/zinc/52/64/72/372526472.db2.gz BGFSMXPMBZGPQL-UHFFFAOYSA-N 0 0 219.156 2.051 50 5 BEBARN Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC000039019068 372847685 /nfs/dbraw/zinc/84/76/85/372847685.db2.gz XBWMSLRYGXSAKH-UHFFFAOYSA-N 0 0 215.212 2.239 50 5 BEBARN O=[N+]([O-])c1ccnc(-c2ccccn2)c1 ZINC000039248197 372915707 /nfs/dbraw/zinc/91/57/07/372915707.db2.gz CIFFKJLQHWQTIT-UHFFFAOYSA-N 0 0 201.185 2.052 50 5 BEBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000000038516 182349489 /nfs/dbraw/zinc/34/94/89/182349489.db2.gz WPHOKOCRXFVQBA-UHFFFAOYSA-N 0 0 224.191 2.082 50 5 BEBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000005253243 182360401 /nfs/dbraw/zinc/36/04/01/182360401.db2.gz BLMWCZBKCOBVAM-UHFFFAOYSA-N 0 0 234.133 2.096 50 5 in-vitro BEBARN O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000000374558 182378532 /nfs/dbraw/zinc/37/85/32/182378532.db2.gz BPZNHKQKNUUVQA-UHFFFAOYSA-N 0 0 232.195 2.440 50 5 BEBARN O=C(Nc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000024233146 182380983 /nfs/dbraw/zinc/38/09/83/182380983.db2.gz GVXZLOXHFCMWRT-UHFFFAOYSA-N 0 0 235.243 2.223 50 5 BEBARN O=C(Nc1cccnc1)c1ccc([N+](=O)[O-])s1 ZINC000013134319 182384276 /nfs/dbraw/zinc/38/42/76/182384276.db2.gz IVMMYCGLUCFHEN-UHFFFAOYSA-N 0 0 249.251 2.304 50 5 BEBARN O=C(c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000001060216 182673905 /nfs/dbraw/zinc/67/39/05/182673905.db2.gz RJRMONLCDVCAAX-UHFFFAOYSA-N 0 0 228.207 2.221 50 5 BEBARN O=C(c1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000004543053 182665170 /nfs/dbraw/zinc/66/51/70/182665170.db2.gz GSORYALEGMPDFE-UHFFFAOYSA-N 0 0 223.209 2.480 50 5 BEBARN O=Cc1cccn1Cc1ccccc1[N+](=O)[O-] ZINC000000156370 182873456 /nfs/dbraw/zinc/87/34/56/182873456.db2.gz AKFAPUIPEQSHJL-UHFFFAOYSA-N 0 0 230.223 2.257 50 5 BEBARN O=Cc1cccnc1-c1cccc([N+](=O)[O-])c1 ZINC000003884530 182873488 /nfs/dbraw/zinc/87/34/88/182873488.db2.gz CKHJMVUGYKMMKW-UHFFFAOYSA-N 0 0 228.207 2.469 50 5 BEBARN O=[N+]([O-])c1cc(C(F)(F)F)c[nH]c1=S ZINC000047212297 182921539 /nfs/dbraw/zinc/92/15/39/182921539.db2.gz PDQMRIPRLZXDLU-UHFFFAOYSA-N 0 0 224.163 2.297 50 5 BEBARN O=[N+]([O-])c1cc(O)ccc1-n1cccc1 ZINC000039185914 182925085 /nfs/dbraw/zinc/92/50/85/182925085.db2.gz GGPUCGQKCDVAHA-UHFFFAOYSA-N 0 0 204.185 2.091 50 5 BEBARN O=[N+]([O-])c1ccnn1CCCc1ccccc1 ZINC000126862979 182954544 /nfs/dbraw/zinc/95/45/44/182954544.db2.gz NQTLDDWAFPGIDM-UHFFFAOYSA-N 0 0 231.255 2.424 50 5 BEBARN O=c1[nH]c2ccccc2c2nc3ccccn3c21 ZINC000008578866 182975105 /nfs/dbraw/zinc/97/51/05/182975105.db2.gz HTLQIPSFRWPCRL-UHFFFAOYSA-N 0 0 235.246 2.329 50 5 BEBARN O=c1c2ccccc2oc2cc(O)cc(O)c21 ZINC000006117594 182988654 /nfs/dbraw/zinc/98/86/54/182988654.db2.gz GTHOERCJZSJGHB-UHFFFAOYSA-N 0 0 228.203 2.357 50 5 biogenic BEBARN CCCOc1ccc(NC(C)=O)c([N+](=O)[O-])c1 ZINC000005469267 169319864 /nfs/dbraw/zinc/31/98/64/169319864.db2.gz SCCDPJHRMIEZGA-UHFFFAOYSA-N 0 0 238.243 2.342 50 5 BEBARN Cc1n[nH]cc1Nc1ccc([N+](=O)[O-])cc1 ZINC000091475951 383917474 /nfs/dbraw/zinc/91/74/74/383917474.db2.gz ZUYAMTAFZRBVOF-UHFFFAOYSA-N 0 0 218.216 2.370 50 5 BEBARN CCC[C@@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000071900413 384052733 /nfs/dbraw/zinc/05/27/33/384052733.db2.gz POLNGMOEZZUDMG-SECBINFHSA-N 0 0 224.260 2.168 50 5 BEBARN Cc1nc(-c2cccc([N+](=O)[O-])c2)cn1C ZINC000004677608 384074167 /nfs/dbraw/zinc/07/41/67/384074167.db2.gz HXIGYDSFZCACDU-UHFFFAOYSA-N 0 0 217.228 2.304 50 5 BEBARN COC(=O)c1ncoc1-c1cccc([N+](=O)[O-])c1 ZINC000097756842 384276435 /nfs/dbraw/zinc/27/64/35/384276435.db2.gz WBPNWMWZZXGUIH-UHFFFAOYSA-N 0 0 248.194 2.036 50 5 BEBARN Cc1noc(/C=C\c2cccnc2)c1[N+](=O)[O-] ZINC000004820803 384573438 /nfs/dbraw/zinc/57/34/38/384573438.db2.gz SRWLVUSPLVSADH-PLNGDYQASA-N 0 0 231.211 2.457 50 5 BEBARN O=C(c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000100077156 384613894 /nfs/dbraw/zinc/61/38/94/384613894.db2.gz WUCSOOFBCSHTCS-UHFFFAOYSA-N 0 0 219.118 2.340 50 5 BEBARN O=Cc1cc2cc3ccccc3cc2[nH]c1=O ZINC000100476569 384643781 /nfs/dbraw/zinc/64/37/81/384643781.db2.gz SBGHFAIHNYYBOX-UHFFFAOYSA-N 0 0 223.231 2.494 50 5 BEBARN COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1C ZINC000043220638 384657826 /nfs/dbraw/zinc/65/78/26/384657826.db2.gz JAMJGHLCWGZMDT-UHFFFAOYSA-N 0 0 229.619 2.343 50 5 BEBARN COC[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000021802802 385177162 /nfs/dbraw/zinc/17/71/62/385177162.db2.gz GHXNCUSBUCBOBU-MRVPVSSYSA-N 0 0 210.233 2.042 50 5 BEBARN C[C@]1(CNc2ccccc2[N+](=O)[O-])CCOC1 ZINC000079089932 385766161 /nfs/dbraw/zinc/76/61/61/385766161.db2.gz JBZHQUCYIXFDMA-GFCCVEGCSA-N 0 0 236.271 2.433 50 5 BEBARN COCc1noc(-c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000078774859 386801203 /nfs/dbraw/zinc/80/12/03/386801203.db2.gz GHYHIHPPXHNKGU-UHFFFAOYSA-N 0 0 249.226 2.100 50 5 BEBARN O=[N+]([O-])c1ncccc1N1CCC(F)(F)CC1 ZINC000169725774 387974400 /nfs/dbraw/zinc/97/44/00/387974400.db2.gz PEAJNIGJQAESLK-UHFFFAOYSA-N 0 0 243.213 2.225 50 5 BEBARN O=[N+]([O-])c1ccncc1N1CCC(F)(F)CC1 ZINC000169725782 387974539 /nfs/dbraw/zinc/97/45/39/387974539.db2.gz UXJGWATZLFFRRJ-UHFFFAOYSA-N 0 0 243.213 2.225 50 5 BEBARN O=Cc1cc([N+](=O)[O-])ccc1OC(F)(F)F ZINC000138970480 388257276 /nfs/dbraw/zinc/25/72/76/388257276.db2.gz BYJIGJLBSZLEGI-UHFFFAOYSA-N 0 0 235.117 2.306 50 5 BEBARN COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000057351640 388357072 /nfs/dbraw/zinc/35/70/72/388357072.db2.gz UHPKNDYXGXJKMH-UHFFFAOYSA-N 0 0 215.592 2.035 50 5 BEBARN Cn1c2ccc([N+](=O)[O-])cc2nc1-c1ccc[nH]1 ZINC000252501527 388376909 /nfs/dbraw/zinc/37/69/09/388376909.db2.gz UHAPROJNKSKLNR-UHFFFAOYSA-N 0 0 242.238 2.477 50 5 BEBARN O=Cc1cccn1-c1ccccc1[N+](=O)[O-] ZINC000004237803 388395932 /nfs/dbraw/zinc/39/59/32/388395932.db2.gz LMLICLRBZPFXMK-UHFFFAOYSA-N 0 0 216.196 2.198 50 5 BEBARN Cc1ccc(OCc2ccccn2)c([N+](=O)[O-])n1 ZINC000009379294 388432156 /nfs/dbraw/zinc/43/21/56/388432156.db2.gz QYLVTCORQJYJTH-UHFFFAOYSA-N 0 0 245.238 2.272 50 5 BEBARN COc1c(OC(F)F)ccc(C=O)c1[N+](=O)[O-] ZINC000038342435 388619158 /nfs/dbraw/zinc/61/91/58/388619158.db2.gz JTLBNEDECXLTEJ-UHFFFAOYSA-N 0 0 247.153 2.017 50 5 BEBARN O=Cc1c(Br)cccc1[N+](=O)[O-] ZINC000012505382 388720264 /nfs/dbraw/zinc/72/02/64/388720264.db2.gz WRIAMYXQKSDDRP-UHFFFAOYSA-N 0 0 230.017 2.170 50 5 BEBARN C[C@@H]1C[C@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000097021274 388830074 /nfs/dbraw/zinc/83/00/74/388830074.db2.gz FQJXQCYXIHCFHX-LDYMZIIASA-N 0 0 234.255 2.214 50 5 BEBARN O=[N+]([O-])c1ccnc(N2CCCCC2)c1F ZINC000261493462 132177428 /nfs/dbraw/zinc/17/74/28/132177428.db2.gz BPMFALAJMPQMEM-UHFFFAOYSA-N 0 0 225.223 2.119 50 5 BEBARN CCN(CC)C(=O)c1ccc([N+](=O)[O-])c(F)c1 ZINC000038526370 169761150 /nfs/dbraw/zinc/76/11/50/169761150.db2.gz UDJSYCJLYSNACA-UHFFFAOYSA-N 0 0 240.234 2.216 50 5 BEBARN CC(C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000000579972 167080733 /nfs/dbraw/zinc/08/07/33/167080733.db2.gz OJORIPCAVZVZRG-VIFPVBQESA-N 0 0 236.271 2.223 50 5 BEBARN CC(C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000298881 167084727 /nfs/dbraw/zinc/08/47/27/167084727.db2.gz YFPMJGHIACIVOS-UHFFFAOYSA-N 0 0 242.662 2.386 50 5 BEBARN CC(C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000299499 167088446 /nfs/dbraw/zinc/08/84/46/167088446.db2.gz VJCNHNOAONXMRF-UHFFFAOYSA-N 0 0 242.662 2.386 50 5 BEBARN CC(C)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004531726 167148059 /nfs/dbraw/zinc/14/80/59/167148059.db2.gz KBLJXXODEPARJO-UHFFFAOYSA-N 0 0 225.204 2.323 50 5 BEBARN CC(C)OC(=O)c1ccccc1[N+](=O)[O-] ZINC000000620771 167174261 /nfs/dbraw/zinc/17/42/61/167174261.db2.gz AAOFULNKZPHNQJ-UHFFFAOYSA-N 0 0 209.201 2.160 50 5 BEBARN CC(C)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002023565 167303157 /nfs/dbraw/zinc/30/31/57/167303157.db2.gz NIRCWCOZBNPIEE-UHFFFAOYSA-N 0 0 226.188 2.290 50 5 BEBARN CCCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000002875080 411173554 /nfs/dbraw/zinc/17/35/54/411173554.db2.gz KHOHAKOQEVWJRP-UHFFFAOYSA-N 0 0 236.271 2.433 50 5 BEBARN CC1=Nc2cc([N+](=O)[O-])ccc2NC(=O)C1 ZINC000100648642 168137508 /nfs/dbraw/zinc/13/75/08/168137508.db2.gz XRCMCWYNHVSDJX-UHFFFAOYSA-N 0 0 219.200 2.029 50 5 BEBARN CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000000038972 168176715 /nfs/dbraw/zinc/17/67/15/168176715.db2.gz YDTIAOOOKXQRIW-UHFFFAOYSA-N 0 0 238.243 2.060 50 5 BEBARN CCOC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000001670364 170183351 /nfs/dbraw/zinc/18/33/51/170183351.db2.gz TYYXOWPEFVCPDV-BQYQJAHWSA-N 0 0 221.212 2.171 50 5 BEBARN CCOC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000015109112 170239995 /nfs/dbraw/zinc/23/99/95/170239995.db2.gz SYKQIUQNZZTHTO-UHFFFAOYSA-N 0 0 236.227 2.114 50 5 BEBARN CCOC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000003163827 170243722 /nfs/dbraw/zinc/24/37/22/170243722.db2.gz PFRVFZBTJQGCRJ-UHFFFAOYSA-N 0 0 240.215 2.172 50 5 BEBARN CCOC(=O)c1cccc([N+](=O)[O-])c1C ZINC000004838589 170299087 /nfs/dbraw/zinc/29/90/87/170299087.db2.gz XINYBVBBEWUEPZ-UHFFFAOYSA-N 0 0 209.201 2.080 50 5 BEBARN CCOC(OCC)c1ccc([N+](=O)[O-])o1 ZINC000033505765 170317145 /nfs/dbraw/zinc/31/71/45/170317145.db2.gz KCOCEYGKBVVPDC-UHFFFAOYSA-N 0 0 215.205 2.259 50 5 BEBARN COC(=O)[C@@H](C)Sc1sccc1[N+](=O)[O-] ZINC000096492789 173694784 /nfs/dbraw/zinc/69/47/84/173694784.db2.gz JRIAQZHGSSJPKV-RXMQYKEDSA-N 0 0 247.297 2.310 50 5 BEBARN COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1OC ZINC000035333369 173857544 /nfs/dbraw/zinc/85/75/44/173857544.db2.gz LWCRENCMPYSMPP-UHFFFAOYSA-N 0 0 245.618 2.043 50 5 BEBARN COc1cc2c(cc1[N+](=O)[O-])CCCC2 ZINC000005320563 175026054 /nfs/dbraw/zinc/02/60/54/175026054.db2.gz LRDDQDMKDSLXCZ-UHFFFAOYSA-N 0 0 207.229 2.482 50 5 BEBARN COc1cccc2c1[nH]c1c(N)cccc1c2=O ZINC000008855197 175298490 /nfs/dbraw/zinc/29/84/90/175298490.db2.gz BCNHTZRTLWNPMJ-UHFFFAOYSA-N 0 0 240.262 2.272 50 5 BEBARN C[C@@H]1CCC[C@H](CCn2cnc([N+](=O)[O-])n2)C1 ZINC000252480876 176137871 /nfs/dbraw/zinc/13/78/71/176137871.db2.gz CFRLVHVKGMZKSC-NXEZZACHSA-N 0 0 238.291 2.403 50 5 BEBARN CC(C)CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000000441582 491133187 /nfs/dbraw/zinc/13/31/87/491133187.db2.gz FFSMATQCVJQTCB-UHFFFAOYSA-N 0 0 236.271 2.371 50 5 BEBARN O=c1[nH]c2nc3ccccc3n2c2ncccc12 ZINC000007986555 538092554 /nfs/dbraw/zinc/09/25/54/538092554.db2.gz ZXOYNUGSLWSMNX-UHFFFAOYSA-N 0 0 236.234 2.136 50 5 BEBARN CCCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000004724997 398177856 /nfs/dbraw/zinc/17/78/56/398177856.db2.gz LHDBJPCFQYIRRV-UHFFFAOYSA-N 0 0 236.271 2.054 50 5 BEBARN Cc1cc(COc2ccc([N+](=O)[O-])cc2)on1 ZINC000009256564 178049404 /nfs/dbraw/zinc/04/94/04/178049404.db2.gz LLGRRKOQUMSZGD-UHFFFAOYSA-N 0 0 234.211 2.470 50 5 BEBARN CCC(CC)C(=O)Nc1ccc([N+](=O)[O-])cn1 ZINC000004460024 168340861 /nfs/dbraw/zinc/34/08/61/168340861.db2.gz GPDNDHDFFZPJGP-UHFFFAOYSA-N 0 0 237.259 2.365 50 5 BEBARN Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])no1 ZINC000000442279 178150927 /nfs/dbraw/zinc/15/09/27/178150927.db2.gz YYDXMKKGEURJGK-UHFFFAOYSA-N 0 0 247.210 2.144 50 5 BEBARN Cc1cc([N+](=O)[O-])cnc1Br ZINC000002383994 178274199 /nfs/dbraw/zinc/27/41/99/178274199.db2.gz FZIQHPKXSLHGBZ-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 BEBARN Cc1cc([N+](=O)[O-])cc2c1N(C)C(=O)C2(C)C ZINC000057341397 178270962 /nfs/dbraw/zinc/27/09/62/178270962.db2.gz CKYUFXYKKWJKCC-UHFFFAOYSA-N 0 0 234.255 2.157 50 5 BEBARN Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C)C1 ZINC000078714167 178273597 /nfs/dbraw/zinc/27/35/97/178273597.db2.gz KPASYOJINIGUKQ-QMMMGPOBSA-N 0 0 221.260 2.144 50 5 BEBARN Cc1cc2c3ccccc3oc(=O)c2c(N)n1 ZINC000013116032 178283050 /nfs/dbraw/zinc/28/30/50/178283050.db2.gz IBYKUFVAOHGLRZ-UHFFFAOYSA-N 0 0 226.235 2.232 50 5 BEBARN Cc1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000000153914 178295647 /nfs/dbraw/zinc/29/56/47/178295647.db2.gz PWANMOIIIMORBV-UHFFFAOYSA-N 0 0 205.169 2.010 50 5 BEBARN Cc1cc2oc(=O)ccc2cc1[N+](=O)[O-] ZINC000004974753 178306556 /nfs/dbraw/zinc/30/65/56/178306556.db2.gz PXIZISQDNJKAOB-UHFFFAOYSA-N 0 0 205.169 2.010 50 5 BEBARN Cc1ccc(-c2ccc(C(N)=O)o2)cc1[N+](=O)[O-] ZINC000040544819 259316914 /nfs/dbraw/zinc/31/69/14/259316914.db2.gz XWMUGYDZGJYBSF-UHFFFAOYSA-N 0 0 246.222 2.262 50 5 BEBARN O=[N+]([O-])c1ccccc1I ZINC000001700192 342710050 /nfs/dbraw/zinc/71/00/50/342710050.db2.gz JXMZUNPWVXQADG-UHFFFAOYSA-N 0 0 249.007 2.199 50 5 BEBARN O=[N+]([O-])c1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000004387790 342747528 /nfs/dbraw/zinc/74/75/28/342747528.db2.gz FEEZTKJJCSPLDF-HNNXBMFYSA-N 0 0 239.174 2.222 50 5 BEBARN O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000034669830 342726394 /nfs/dbraw/zinc/72/63/94/342726394.db2.gz OXCPEFDPGKSSFV-UHFFFAOYSA-N 0 0 222.225 2.012 50 5 BEBARN Nc1nc(NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000032826020 342879194 /nfs/dbraw/zinc/87/91/94/342879194.db2.gz XYFBGTPEELKZEX-UHFFFAOYSA-N 0 0 236.275 2.317 50 5 BEBARN CC(=O)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000005446582 187247884 /nfs/dbraw/zinc/24/78/84/187247884.db2.gz QNHXWAFJHYVTIL-UHFFFAOYSA-N 0 0 246.169 2.155 50 5 BEBARN O=[N+]([O-])c1cc([N+](=O)[O-])cc(-n2cccc2)c1 ZINC000012846497 187250863 /nfs/dbraw/zinc/25/08/63/187250863.db2.gz NXFBNYABTSUFNB-UHFFFAOYSA-N 0 0 233.183 2.294 50 5 BEBARN Cc1sc(C(=O)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000048340806 343246073 /nfs/dbraw/zinc/24/60/73/343246073.db2.gz BAOSJJKHUFCGNT-UHFFFAOYSA-N 0 0 240.284 2.199 50 5 BEBARN Cc1cnc(N)c2c1c1ccccc1oc2=O ZINC000019015026 187251534 /nfs/dbraw/zinc/25/15/34/187251534.db2.gz VZLKYPOYSSGXNH-UHFFFAOYSA-N 0 0 226.235 2.232 50 5 BEBARN CCCCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000585141622 344173304 /nfs/dbraw/zinc/17/33/04/344173304.db2.gz DNNQNLJVPPLNBP-UHFFFAOYSA-N 0 0 225.248 2.298 50 5 BEBARN CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000073834 344200766 /nfs/dbraw/zinc/20/07/66/344200766.db2.gz RNISQKYAJCJDHF-UHFFFAOYSA-N 0 0 237.240 2.367 50 5 BEBARN CC1(C)Cc2ccccc2C(=C[N+](=O)[O-])N1 ZINC000000104139 344404887 /nfs/dbraw/zinc/40/48/87/344404887.db2.gz KVYNJWKWOAXONN-UHFFFAOYSA-N 0 0 218.256 2.087 50 5 BEBARN O=[N+]([O-])c1cccc(C2=CSC3=NCCN23)c1 ZINC000000121991 344556200 /nfs/dbraw/zinc/55/62/00/344556200.db2.gz MZIINQNKSWEAAD-UHFFFAOYSA-N 0 0 247.279 2.312 50 5 BEBARN COC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000000225949 344645602 /nfs/dbraw/zinc/64/56/02/344645602.db2.gz DLZYIQFDUZINCM-UHFFFAOYSA-N 0 0 241.268 2.001 50 5 BEBARN O=[N+]([O-])c1ccc(C2=NCCS2)cc1 ZINC000000376679 344734013 /nfs/dbraw/zinc/73/40/13/344734013.db2.gz MJKNSOPAEQZIEG-UHFFFAOYSA-N 0 0 208.242 2.088 50 5 BEBARN CC(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000302198 344682633 /nfs/dbraw/zinc/68/26/33/344682633.db2.gz YARNVNLKNTXUBT-UHFFFAOYSA-N 0 0 208.217 2.189 50 5 BEBARN Cc1ccc(N2CCCC2=O)c([N+](=O)[O-])c1 ZINC000040545344 178712411 /nfs/dbraw/zinc/71/24/11/178712411.db2.gz KHURAQOGOUTZAW-UHFFFAOYSA-N 0 0 220.228 2.030 50 5 BEBARN COC(=O)c1cc2cccc([N+](=O)[O-])c2o1 ZINC000148137502 345268712 /nfs/dbraw/zinc/26/87/12/345268712.db2.gz PQGBOQMEUQWTTH-UHFFFAOYSA-N 0 0 221.168 2.128 50 5 BEBARN Cc1ccc2c([N+](=O)[O-])cc3nc(N)oc3c2n1 ZINC000228903081 178943384 /nfs/dbraw/zinc/94/33/84/178943384.db2.gz GEWMFKDPESRSFY-UHFFFAOYSA-N 0 0 244.210 2.175 50 5 BEBARN NN=c1c2ccccc2oc2ccccc21 ZINC000005379482 346615627 /nfs/dbraw/zinc/61/56/27/346615627.db2.gz YKCRYRUJSCXWIP-UHFFFAOYSA-N 0 0 210.236 2.360 50 5 BEBARN Cc1cccc(NCc2cc[nH]n2)c1[N+](=O)[O-] ZINC000170602850 179148670 /nfs/dbraw/zinc/14/86/70/179148670.db2.gz AEGGZOJEGNWNCU-UHFFFAOYSA-N 0 0 232.243 2.238 50 5 BEBARN Cc1cccc(NCCn2ccnc2)c1[N+](=O)[O-] ZINC000195572311 179147299 /nfs/dbraw/zinc/14/72/99/179147299.db2.gz PWAWJLWAWKFYMY-UHFFFAOYSA-N 0 0 246.270 2.212 50 5 BEBARN Cc1cccc(OCCn2cccn2)c1[N+](=O)[O-] ZINC000089688890 179169415 /nfs/dbraw/zinc/16/94/15/179169415.db2.gz DUPLAMRGBRGPEM-UHFFFAOYSA-N 0 0 247.254 2.179 50 5 BEBARN Cc1cc([N+](=O)[O-])nn1Cc1ccccc1C ZINC000002537793 179294654 /nfs/dbraw/zinc/29/46/54/179294654.db2.gz HHNLXDQLUQGGJY-UHFFFAOYSA-N 0 0 231.255 2.456 50 5 BEBARN CC/C=C\CCn1cccc([N+](=O)[O-])c1=O ZINC000341618865 348846134 /nfs/dbraw/zinc/84/61/34/348846134.db2.gz RFWKSSRWJUAVNX-ARJAWSKDSA-N 0 0 222.244 2.113 50 5 BEBARN Cc1cnn(-c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000012396508 179714265 /nfs/dbraw/zinc/71/42/65/179714265.db2.gz HPCKIWISQMRVFK-UHFFFAOYSA-N 0 0 221.191 2.228 50 5 BEBARN CCOc1cc(F)c([N+](=O)[O-])cc1F ZINC000145203161 349331602 /nfs/dbraw/zinc/33/16/02/349331602.db2.gz WYUIHXOCVSQXOX-UHFFFAOYSA-N 0 0 203.144 2.272 50 5 BEBARN Cc1nc2c3ccccc3oc(=O)c2nc1C ZINC000000848820 180060482 /nfs/dbraw/zinc/06/04/82/180060482.db2.gz CIMKMOPUESKYNL-UHFFFAOYSA-N 0 0 226.235 2.353 50 5 BEBARN C/C(=C\c1cccc([N+](=O)[O-])c1)[N+](=O)[O-] ZINC000004709224 191120403 /nfs/dbraw/zinc/12/04/03/191120403.db2.gz OERQCTVLGKJURQ-FNORWQNLSA-N 0 0 208.173 2.232 50 5 BEBARN S=c1nnc2c(ccc3ccccc32)[nH]1 ZINC000005731737 191123126 /nfs/dbraw/zinc/12/31/26/191123126.db2.gz NUJYNMBONSUPCV-UHFFFAOYSA-N 0 0 213.265 2.467 50 5 BEBARN Cc1cnc(Sc2ncccc2[N+](=O)[O-])nc1 ZINC000000987852 350970863 /nfs/dbraw/zinc/97/08/63/350970863.db2.gz VLJNALDOMOTHNF-UHFFFAOYSA-N 0 0 248.267 2.239 50 5 BEBARN O=[N+]([O-])c1cccc(-c2nnc3ccccn32)c1 ZINC000001079132 350997528 /nfs/dbraw/zinc/99/75/28/350997528.db2.gz HRMUSJLYQTVZQZ-UHFFFAOYSA-N 0 0 240.222 2.305 50 5 BEBARN Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000003888984 351425238 /nfs/dbraw/zinc/42/52/38/351425238.db2.gz UTKUVRNVYFTEHF-UHFFFAOYSA-N 0 0 206.123 2.196 50 5 in-vitro BEBARN CC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000001712897 187925764 /nfs/dbraw/zinc/92/57/64/187925764.db2.gz UNIUJJXVDIYVQM-UHFFFAOYSA-N 0 0 208.217 2.170 50 5 in-vitro BEBARN O=[N+]([O-])c1c(Cl)nc(Cl)nc1Cl ZINC000002172890 187927105 /nfs/dbraw/zinc/92/71/05/187927105.db2.gz QGFWFWSBFMRDNP-UHFFFAOYSA-N 0 0 228.422 2.345 50 5 BEBARN CC(=O)C[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000001513734 188273397 /nfs/dbraw/zinc/27/33/97/188273397.db2.gz HDACXQXSTHNYRG-LLVKDONJSA-N 0 0 207.229 2.026 50 5 BEBARN CC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000004127893 188276064 /nfs/dbraw/zinc/27/60/64/188276064.db2.gz KUAYZLXOOIEGDN-UHFFFAOYSA-N 0 0 214.608 2.207 50 5 BEBARN Cc1cc(Br)c([N+](=O)[O-])cc1N ZINC000036532865 188285908 /nfs/dbraw/zinc/28/59/08/188285908.db2.gz VNSOWZDCHBKTGR-UHFFFAOYSA-N 0 0 231.049 2.248 50 5 BEBARN CC(=O)Nc1cc(F)c([N+](=O)[O-])cc1C ZINC000042684365 188294730 /nfs/dbraw/zinc/29/47/30/188294730.db2.gz BTNOAOHDOCQLOG-UHFFFAOYSA-N 0 0 212.180 2.001 50 5 BEBARN CC1(C)COC(c2ccc([N+](=O)[O-])cc2)=N1 ZINC000000338789 188334654 /nfs/dbraw/zinc/33/46/54/188334654.db2.gz XYFBYFUMLQSBIH-UHFFFAOYSA-N 0 0 220.228 2.150 50 5 BEBARN N=c1oc2ccc3ccccc3c2cc1C(N)=O ZINC000005669549 181211732 /nfs/dbraw/zinc/21/17/32/181211732.db2.gz VNHCIICJCYBUKX-UHFFFAOYSA-N 0 0 238.246 2.164 50 5 BEBARN O=[N+]([O-])c1ccc(CN2CCCC2)s1 ZINC000004988798 356363765 /nfs/dbraw/zinc/36/37/65/356363765.db2.gz VCLMXOWIEVDWBF-UHFFFAOYSA-N 0 0 212.274 2.252 50 5 BEBARN NC(=O)c1cc(Cl)c([N+](=O)[O-])c(Cl)c1 ZINC000263623471 181288991 /nfs/dbraw/zinc/28/89/91/181288991.db2.gz HSLCHLCPHAYEGQ-UHFFFAOYSA-N 0 0 235.026 2.001 50 5 BEBARN C[C@@]1(CNc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000075611302 359341014 /nfs/dbraw/zinc/34/10/14/359341014.db2.gz LBLVQWZQSJLVSR-LBPRGKRZSA-N 0 0 236.271 2.433 50 5 BEBARN O=[N+]([O-])c1cc2c(Cl)ncnc2cc1F ZINC000026899395 359602802 /nfs/dbraw/zinc/60/28/02/359602802.db2.gz UYQMNEZWVKRWMS-UHFFFAOYSA-N 0 0 227.582 2.331 50 5 BEBARN Cc1[nH]nc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000006681142 360586945 /nfs/dbraw/zinc/58/69/45/360586945.db2.gz BIJGVWVFZFFYII-UHFFFAOYSA-N 0 0 218.216 2.370 50 5 BEBARN O=C1NC(=S)NC1=Cc1cccc([N+](=O)[O-])c1 ZINC000006926153 361141552 /nfs/dbraw/zinc/14/15/52/361141552.db2.gz YLAMPWFIFGRNCQ-YVMONPNESA-N 0 0 249.251 2.192 50 5 aggregator BEBARN O=[N+]([O-])c1ccc(-n2cccn2)c(Cl)c1 ZINC000012398324 370866004 /nfs/dbraw/zinc/86/60/04/370866004.db2.gz BZZVLVUYUHBQBZ-UHFFFAOYSA-N 0 0 223.619 2.434 50 5 BEBARN O=[N+]([O-])c1cccnc1NC1CCCC1 ZINC000020135258 371233244 /nfs/dbraw/zinc/23/32/44/371233244.db2.gz LECSNDXAVMVGGY-UHFFFAOYSA-N 0 0 207.233 2.344 50 5 BEBARN Nc1c([N+](=O)[O-])cc(F)cc1C(F)(F)F ZINC000004334571 181671727 /nfs/dbraw/zinc/67/17/27/181671727.db2.gz XOQNQGVENLOUBD-UHFFFAOYSA-N 0 0 224.113 2.335 50 5 BEBARN Nc1cc(F)c([N+](=O)[O-])cc1Br ZINC000091302140 181685914 /nfs/dbraw/zinc/68/59/14/181685914.db2.gz PKDUOURYTVRBLI-UHFFFAOYSA-N 0 0 235.012 2.079 50 5 BEBARN Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000002563272 371585491 /nfs/dbraw/zinc/58/54/91/371585491.db2.gz ZDZNJYXHGWSWTN-UHFFFAOYSA-N 0 0 206.123 2.196 50 5 BEBARN CCN(CC)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000002827864 371668956 /nfs/dbraw/zinc/66/89/56/371668956.db2.gz ZVWLBRHEBGHQSR-UHFFFAOYSA-N 0 0 236.271 2.385 50 5 BEBARN O=[N+]([O-])c1ccc(Cl)cc1SCCO ZINC000003100667 371873220 /nfs/dbraw/zinc/87/32/20/371873220.db2.gz FUGNIGSLWFEYJI-UHFFFAOYSA-N 0 0 233.676 2.333 50 5 BEBARN Cc1ccnc(Br)c1[N+](=O)[O-] ZINC000008698087 372853459 /nfs/dbraw/zinc/85/34/59/372853459.db2.gz LRYKMSPHPLXBHF-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 BEBARN CC[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000042565051 374274011 /nfs/dbraw/zinc/27/40/11/374274011.db2.gz KSGPMLUMMLXSOF-ZCFIWIBFSA-N 0 0 228.273 2.185 50 5 BEBARN CCCCOc1ncc(C)cc1[N+](=O)[O-] ZINC000175135549 374293722 /nfs/dbraw/zinc/29/37/22/374293722.db2.gz KJTKBEYAJQHGLX-UHFFFAOYSA-N 0 0 210.233 2.477 50 5 BEBARN O=C(Nc1ccon1)Nc1ccc([N+](=O)[O-])cc1 ZINC000005041902 182362807 /nfs/dbraw/zinc/36/28/07/182362807.db2.gz QGQGLCIXDNHZKD-UHFFFAOYSA-N 0 0 248.198 2.227 50 5 BEBARN O=C(Nc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000001462674 182371669 /nfs/dbraw/zinc/37/16/69/182371669.db2.gz ODXWGMFPJCIUCW-UHFFFAOYSA-N 0 0 234.133 2.096 50 5 BEBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1F ZINC000001706143 182925121 /nfs/dbraw/zinc/92/51/21/182925121.db2.gz RXVKLMKODREOIW-UHFFFAOYSA-N 0 0 220.543 2.296 50 5 BEBARN O=[N+]([O-])c1ccc(CCNc2ncccn2)cc1 ZINC000040676201 182929867 /nfs/dbraw/zinc/92/98/67/182929867.db2.gz YVTXZQFMIHNTKX-UHFFFAOYSA-N 0 0 244.254 2.039 50 5 BEBARN O=[N+]([O-])c1ccc(Cl)c(Cl)c1CO ZINC000038313280 182932834 /nfs/dbraw/zinc/93/28/34/182932834.db2.gz OCSXCROLWYVFAO-UHFFFAOYSA-N 0 0 222.027 2.394 50 5 BEBARN O=[N+]([O-])c1cccc(C2OCCCO2)c1 ZINC000000075330 182944533 /nfs/dbraw/zinc/94/45/33/182944533.db2.gz VQZDEWTWLOZYBX-UHFFFAOYSA-N 0 0 209.201 2.030 50 5 BEBARN O=[N+]([O-])c1ccccc1[C@H](O)C(F)(F)F ZINC000039054613 182952325 /nfs/dbraw/zinc/95/23/25/182952325.db2.gz ABHAFAQMIBXHIR-ZETCQYMHSA-N 0 0 221.134 2.191 50 5 BEBARN O=[N+]([O-])c1ccn(Cc2ccc(Cl)cc2)n1 ZINC000000035828 182954988 /nfs/dbraw/zinc/95/49/88/182954988.db2.gz KIEAKQSAUQTYPW-UHFFFAOYSA-N 0 0 237.646 2.493 50 5 BEBARN c1ccn2c(c1)nc1c2nc2ccccn21 ZINC000000305580 183463839 /nfs/dbraw/zinc/46/38/39/183463839.db2.gz ANMGHQUYEIIMOP-UHFFFAOYSA-N 0 0 208.224 2.135 50 5 aggregator BEBARN CCCOc1nccc([N+](=O)[O-])c1Cl ZINC000261494151 169328323 /nfs/dbraw/zinc/32/83/23/169328323.db2.gz RAOFYAVEHODELU-UHFFFAOYSA-N 0 0 216.624 2.432 50 5 BEBARN O=Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000000065171 383822296 /nfs/dbraw/zinc/82/22/96/383822296.db2.gz YERTUMJMWKSDIU-UHFFFAOYSA-N 0 0 217.127 2.009 50 5 BEBARN CCC[C@H](O)CNc1ccccc1[N+](=O)[O-] ZINC000071900412 384054621 /nfs/dbraw/zinc/05/46/21/384054621.db2.gz POLNGMOEZZUDMG-VIFPVBQESA-N 0 0 224.260 2.168 50 5 BEBARN COc1cc(/C=C(/C)[N+](=O)[O-])cc2c1OCO2 ZINC000005179018 384106405 /nfs/dbraw/zinc/10/64/05/384106405.db2.gz URIZGFKLZDNSIH-CLTKARDFSA-N 0 0 237.211 2.061 50 5 BEBARN C[C@H](CCO)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000097443234 384206687 /nfs/dbraw/zinc/20/66/87/384206687.db2.gz PZOGZZQTGGHBPP-MRVPVSSYSA-N 0 0 242.250 2.164 50 5 BEBARN COC(=O)c1ncoc1-c1ccc([N+](=O)[O-])cc1 ZINC000097756934 384277064 /nfs/dbraw/zinc/27/70/64/384277064.db2.gz DLDCGEOSJDASMN-UHFFFAOYSA-N 0 0 248.194 2.036 50 5 BEBARN Cc1cnc(NCCc2ccc[nH]2)c([N+](=O)[O-])c1 ZINC000097047868 384305067 /nfs/dbraw/zinc/30/50/67/384305067.db2.gz YFMIDRNGCMRMOC-UHFFFAOYSA-N 0 0 246.270 2.281 50 5 BEBARN CCN(CC(C)(C)C)c1ncc([N+](=O)[O-])cn1 ZINC000408524484 384291250 /nfs/dbraw/zinc/29/12/50/384291250.db2.gz UZWFMZUJGMRSOJ-UHFFFAOYSA-N 0 0 238.291 2.257 50 5 BEBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cn2)o1 ZINC000004460015 384372928 /nfs/dbraw/zinc/37/29/28/384372928.db2.gz DGQPUDXFIFWALJ-UHFFFAOYSA-N 0 0 247.210 2.144 50 5 BEBARN CCN(CC)c1cc(N)c([N+](=O)[O-])cc1F ZINC000005064137 384420812 /nfs/dbraw/zinc/42/08/12/384420812.db2.gz KANQTUPVKFIUGA-UHFFFAOYSA-N 0 0 227.239 2.162 50 5 BEBARN COC(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000008698525 384998420 /nfs/dbraw/zinc/99/84/20/384998420.db2.gz IJSXVHIIYIMVTM-UHFFFAOYSA-N 0 0 221.621 2.096 50 5 BEBARN O=[N+]([O-])c1ccc(Oc2ccncc2)nc1 ZINC000263623072 385007709 /nfs/dbraw/zinc/00/77/09/385007709.db2.gz DLBPIPOTQLGMJP-UHFFFAOYSA-N 0 0 217.184 2.177 50 5 BEBARN O=[N+]([O-])c1ccc2oc(Br)nc2c1 ZINC000085221331 385057295 /nfs/dbraw/zinc/05/72/95/385057295.db2.gz NRIUPKKUFSXWEA-UHFFFAOYSA-N 0 0 243.016 2.499 50 5 BEBARN CCc1ccc(Oc2nc([N+](=O)[O-])nn2C)cc1 ZINC000000528528 385431943 /nfs/dbraw/zinc/43/19/43/385431943.db2.gz ZPPITAAFEOZERU-UHFFFAOYSA-N 0 0 248.242 2.078 50 5 BEBARN CN(c1ccncc1[N+](=O)[O-])C1CCCC1 ZINC000079052333 385606430 /nfs/dbraw/zinc/60/64/30/385606430.db2.gz MVTLXDCRPPLTBZ-UHFFFAOYSA-N 0 0 221.260 2.369 50 5 BEBARN Cc1noc(CNc2cccc([N+](=O)[O-])c2C)n1 ZINC000024661933 385752769 /nfs/dbraw/zinc/75/27/69/385752769.db2.gz CODMEEHLAUGBET-UHFFFAOYSA-N 0 0 248.242 2.207 50 5 BEBARN CC[C@H](O)COc1cc(C)c([N+](=O)[O-])cc1C ZINC000062998408 385918246 /nfs/dbraw/zinc/91/82/46/385918246.db2.gz UKHDSVGYNUVWDW-JTQLQIEISA-N 0 0 239.271 2.361 50 5 BEBARN O=[N+]([O-])c1cc(F)c(Nc2c[nH]cn2)c(F)c1 ZINC000225533292 386060352 /nfs/dbraw/zinc/06/03/52/386060352.db2.gz YXWRMJNTUPFUAZ-UHFFFAOYSA-N 0 0 240.169 2.340 50 5 BEBARN C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000044345872 386576467 /nfs/dbraw/zinc/57/64/67/386576467.db2.gz LCLHRJYTGFVQAX-LURJTMIESA-N 0 0 240.284 2.185 50 5 BEBARN COC(=O)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000014989360 386659653 /nfs/dbraw/zinc/65/96/53/386659653.db2.gz DKARPFALPFVMPB-UHFFFAOYSA-N 0 0 249.144 2.400 50 5 BEBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)s1 ZINC000004086407 386755149 /nfs/dbraw/zinc/75/51/49/386755149.db2.gz APWYALWJANASTQ-UHFFFAOYSA-N 0 0 208.582 2.218 50 5 BEBARN C[C@@H](CO)CSc1ccccc1[N+](=O)[O-] ZINC000075148753 387049359 /nfs/dbraw/zinc/04/93/59/387049359.db2.gz OATCAYJTTMZARO-QMMMGPOBSA-N 0 0 227.285 2.315 50 5 BEBARN O=[N+]([O-])c1ccc(Br)c([N+](=O)[O-])c1 ZINC000001672863 387333578 /nfs/dbraw/zinc/33/35/78/387333578.db2.gz PBOPJYORIDJAFE-UHFFFAOYSA-N 0 0 247.004 2.266 50 5 in-vitro BEBARN Nc1c(F)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000169801794 387868900 /nfs/dbraw/zinc/86/89/00/387868900.db2.gz LFJROXCNNAAYME-UHFFFAOYSA-N 0 0 224.113 2.335 50 5 BEBARN Nc1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000004099202 322812797 /nfs/dbraw/zinc/81/27/97/322812797.db2.gz PIGCSKVALLVWKU-UHFFFAOYSA-N 0 0 210.236 2.264 50 5 in-vitro BEBARN O=[N+]([O-])c1ncccc1N1CCCC(F)(F)C1 ZINC000169725773 387974317 /nfs/dbraw/zinc/97/43/17/387974317.db2.gz FEPIPHUJBHGNQR-UHFFFAOYSA-N 0 0 243.213 2.225 50 5 BEBARN CCOCCOc1ccc(F)cc1[N+](=O)[O-] ZINC000069531058 388419186 /nfs/dbraw/zinc/41/91/86/388419186.db2.gz HYYOSLMECCJCKP-UHFFFAOYSA-N 0 0 229.207 2.149 50 5 BEBARN COc1c(OC(F)F)c(C=O)ccc1[N+](=O)[O-] ZINC000038342456 388618764 /nfs/dbraw/zinc/61/87/64/388618764.db2.gz GNZLMFMAYDNZQS-UHFFFAOYSA-N 0 0 247.153 2.017 50 5 BEBARN O=[N+]([O-])c1cc(F)c(OC(F)F)c(F)c1 ZINC000095215408 388761814 /nfs/dbraw/zinc/76/18/14/388761814.db2.gz YLHNCEIZLBRXSX-UHFFFAOYSA-N 0 0 225.097 2.474 50 5 BEBARN C[C@@H]1Sc2cc([N+](=O)[O-])ccc2NC1=O ZINC000095644354 388782332 /nfs/dbraw/zinc/78/23/32/388782332.db2.gz XQHCKOUSAZSTBR-YFKPBYRVSA-N 0 0 224.241 2.028 50 5 BEBARN Cc1c[nH]nc1-c1ccc([N+](=O)[O-])cc1 ZINC000038580640 177655813 /nfs/dbraw/zinc/65/58/13/177655813.db2.gz NULHYMGVVXBCRS-UHFFFAOYSA-N 0 0 203.201 2.293 50 5 BEBARN Nc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004243512 132316334 /nfs/dbraw/zinc/31/63/34/132316334.db2.gz GRLKSWWADWGIEU-UHFFFAOYSA-N 0 0 221.260 2.167 50 5 BEBARN O=C1CCCCN1c1cccc([N+](=O)[O-])c1 ZINC000002524426 132314808 /nfs/dbraw/zinc/31/48/08/132314808.db2.gz NLPWUBGYXAACRK-UHFFFAOYSA-N 0 0 220.228 2.112 50 5 BEBARN C[C@@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000012635258 132321350 /nfs/dbraw/zinc/32/13/50/132321350.db2.gz POMUPJOEFRLELI-AOOOYVTPSA-N 0 0 235.287 2.472 50 5 BEBARN CC1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000015443323 132322952 /nfs/dbraw/zinc/32/29/52/132322952.db2.gz RYJMBZUFGDTYHS-UHFFFAOYSA-N 0 0 235.287 2.413 50 5 BEBARN Cc1c(F)cnc(Br)c1[N+](=O)[O-] ZINC000021981901 398088575 /nfs/dbraw/zinc/08/85/75/398088575.db2.gz GETCZNOCLJMNEA-UHFFFAOYSA-N 0 0 235.012 2.200 50 5 BEBARN Cc1cc(Br)c(C=O)cc1[N+](=O)[O-] ZINC000038540406 322867513 /nfs/dbraw/zinc/86/75/13/322867513.db2.gz OKHCEMLRYRLMEX-UHFFFAOYSA-N 0 0 244.044 2.478 50 5 BEBARN CCN(CC)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000000103326 169761155 /nfs/dbraw/zinc/76/11/55/169761155.db2.gz CKXQMTJOJKBZGD-UHFFFAOYSA-N 0 0 222.244 2.077 50 5 BEBARN CC(C)CC(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000004524505 166772603 /nfs/dbraw/zinc/77/26/03/166772603.db2.gz BWLCCIHERVQBCS-UHFFFAOYSA-N 0 0 229.261 2.036 50 5 BEBARN CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000000103295 168176206 /nfs/dbraw/zinc/17/62/06/168176206.db2.gz QVWMUBXYFBHNQU-UHFFFAOYSA-N 0 0 248.282 2.467 50 5 BEBARN CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000043466824 170084216 /nfs/dbraw/zinc/08/42/16/170084216.db2.gz BEYPZVPLAOCLPH-UHFFFAOYSA-N 0 0 223.232 2.045 50 5 BEBARN CCOC(=O)Cn1ccc2ccc([N+](=O)[O-])cc21 ZINC000037222318 170238057 /nfs/dbraw/zinc/23/80/57/170238057.db2.gz VGDUQCDAGWCFCT-UHFFFAOYSA-N 0 0 248.238 2.113 50 5 BEBARN CCOC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004256453 170243785 /nfs/dbraw/zinc/24/37/85/170243785.db2.gz AUDONQPVYRSJNX-UHFFFAOYSA-N 0 0 210.189 2.163 50 5 BEBARN CCOC(=O)[C@H](C)c1ccc([N+](=O)[O-])c(F)c1 ZINC000039328861 170270461 /nfs/dbraw/zinc/27/04/61/170270461.db2.gz BMOAQMNPJSPXIU-SSDOTTSWSA-N 0 0 241.218 2.401 50 5 BEBARN CCOC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000152569 170293405 /nfs/dbraw/zinc/29/34/05/170293405.db2.gz JXOMCDVAPASMML-UHFFFAOYSA-N 0 0 229.619 2.425 50 5 BEBARN CCOC(=O)c1cc2ccc([N+](=O)[O-])cc2[nH]1 ZINC000002541444 170294027 /nfs/dbraw/zinc/29/40/27/170294027.db2.gz SOMZLSPJSSDTAP-UHFFFAOYSA-N 0 0 234.211 2.253 50 5 BEBARN CCOC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000057351642 170297904 /nfs/dbraw/zinc/29/79/04/170297904.db2.gz PKKLIUDCVJOQJQ-UHFFFAOYSA-N 0 0 229.619 2.425 50 5 BEBARN CCOc1ccc([N+](=O)[O-])c(OC)c1F ZINC000038537187 170566391 /nfs/dbraw/zinc/56/63/91/170566391.db2.gz YCZOCLPRDIJFAL-UHFFFAOYSA-N 0 0 215.180 2.141 50 5 BEBARN CCOc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000261494501 170603668 /nfs/dbraw/zinc/60/36/68/170603668.db2.gz ZFLRKAMPIXCJEZ-UHFFFAOYSA-N 0 0 236.149 2.407 50 5 BEBARN CCOc1ncc([N+](=O)[O-])cc1Cl ZINC000095930400 170603725 /nfs/dbraw/zinc/60/37/25/170603725.db2.gz FSEWFELDLLONEG-UHFFFAOYSA-N 0 0 202.597 2.042 50 5 BEBARN CCc1nc2cc([N+](=O)[O-])ccc2n1C ZINC000029753771 172011781 /nfs/dbraw/zinc/01/17/81/172011781.db2.gz FDSPVFOXTZKCNZ-UHFFFAOYSA-N 0 0 205.217 2.044 50 5 BEBARN CN(C(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000000246279 172341391 /nfs/dbraw/zinc/34/13/91/172341391.db2.gz ZSCZOPFLXZFDQA-UHFFFAOYSA-N 0 0 246.222 2.464 50 5 BEBARN COCCSc1ccccc1[N+](=O)[O-] ZINC000096436774 174377617 /nfs/dbraw/zinc/37/76/17/174377617.db2.gz DIEYTGXBYYJEMY-UHFFFAOYSA-N 0 0 213.258 2.333 50 5 BEBARN COc1cc([N+](=O)[O-])ccc1NC(=O)C(C)C ZINC000005093498 175017818 /nfs/dbraw/zinc/01/78/18/175017818.db2.gz RTEFVLNZMKRVJJ-UHFFFAOYSA-N 0 0 238.243 2.198 50 5 BEBARN COc1ccc(-c2ccc(CO)o2)c([N+](=O)[O-])c1 ZINC000000360901 175032931 /nfs/dbraw/zinc/03/29/31/175032931.db2.gz ODXAXTCMRRXMTE-UHFFFAOYSA-N 0 0 249.222 2.356 50 5 BEBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)C ZINC000000302197 175200922 /nfs/dbraw/zinc/20/09/22/175200922.db2.gz VNURAKZXFQJJMG-UHFFFAOYSA-N 0 0 238.243 2.198 50 5 BEBARN COc1cccc(-c2ccc([N+](=O)[O-])c(N)n2)c1 ZINC000081947202 175234526 /nfs/dbraw/zinc/23/45/26/175234526.db2.gz IHAULJOVNZTPOO-UHFFFAOYSA-N 0 0 245.238 2.248 50 5 BEBARN C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000000272837 176095831 /nfs/dbraw/zinc/09/58/31/176095831.db2.gz YOQXJJARPAWPJV-MRVPVSSYSA-N 0 0 238.243 2.060 50 5 BEBARN C[C@H]1C[C@@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000097021272 177340106 /nfs/dbraw/zinc/34/01/06/177340106.db2.gz FQJXQCYXIHCFHX-KWQFWETISA-N 0 0 234.255 2.214 50 5 BEBARN C[C@H]1C[C@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000097021276 177376432 /nfs/dbraw/zinc/37/64/32/177376432.db2.gz FQJXQCYXIHCFHX-GZMMTYOYSA-N 0 0 234.255 2.214 50 5 BEBARN C[C@H]1Sc2cc([N+](=O)[O-])ccc2NC1=O ZINC000095644353 177413732 /nfs/dbraw/zinc/41/37/32/177413732.db2.gz XQHCKOUSAZSTBR-RXMQYKEDSA-N 0 0 224.241 2.028 50 5 BEBARN C[N+](C)(CCCCC(=O)[O-])C[Si](C)(C)C ZINC000195812442 177488091 /nfs/dbraw/zinc/48/80/91/177488091.db2.gz ZAQSIUSGLJFEKY-UHFFFAOYSA-O 0 0 232.420 2.195 50 5 BEBARN O=[N+]([O-])c1ccc2c(c1)C1CCN2CC1 ZINC000100717828 322972904 /nfs/dbraw/zinc/97/29/04/322972904.db2.gz NUPTWXJPJASIEJ-UHFFFAOYSA-N 0 0 204.229 2.292 50 5 BEBARN CS[C@H](C)CNc1ncc([N+](=O)[O-])cc1C ZINC000092687798 488101199 /nfs/dbraw/zinc/10/11/99/488101199.db2.gz HFSCIFKJWUSBDM-MRVPVSSYSA-N 0 0 241.316 2.462 50 5 BEBARN O=Cc1ccc([N+](=O)[O-])cc1Br ZINC000015423232 487856170 /nfs/dbraw/zinc/85/61/70/487856170.db2.gz XKDLLBUNDADXAA-UHFFFAOYSA-N 0 0 230.017 2.170 50 5 BEBARN COc1c(Cl)ccc(F)c1[N+](=O)[O-] ZINC001772575822 1166273564 /nfs/dbraw/zinc/27/35/64/1166273564.db2.gz IEIDGHWNZQBDDV-UHFFFAOYSA-N 0 0 205.572 2.396 50 5 BEBARN Cc1cc(C)n(C(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000000218443 177921971 /nfs/dbraw/zinc/92/19/71/177921971.db2.gz CHWYCVSTZJTVOJ-UHFFFAOYSA-N 0 0 245.238 2.097 50 5 BEBARN Cc1cc(N)c([N+](=O)[O-])cc1Br ZINC000072190327 178104013 /nfs/dbraw/zinc/10/40/13/178104013.db2.gz POWJQZRBSYOVIJ-UHFFFAOYSA-N 0 0 231.049 2.248 50 5 BEBARN CC(C)(C)OC(=O)n1cccc1[N+](=O)[O-] ZINC000261494046 187331030 /nfs/dbraw/zinc/33/10/30/187331030.db2.gz ONHFHSJHMVICEJ-UHFFFAOYSA-N 0 0 212.205 2.180 50 5 BEBARN Cc1cc(Oc2ccc([N+](=O)[O-])cc2)ncn1 ZINC000041195313 178214039 /nfs/dbraw/zinc/21/40/39/178214039.db2.gz CXKJPMWQHUTVHT-UHFFFAOYSA-N 0 0 231.211 2.486 50 5 BEBARN Cc1cc([N+](=O)[O-])cnc1NCCc1ccc[nH]1 ZINC000097033576 178274014 /nfs/dbraw/zinc/27/40/14/178274014.db2.gz PEDUUQVEYOSTMV-UHFFFAOYSA-N 0 0 246.270 2.281 50 5 BEBARN Cc1cc([N+](=O)[O-])nn1Cc1ccc(F)cc1 ZINC000001426317 178275137 /nfs/dbraw/zinc/27/51/37/178275137.db2.gz HMBUELLHRLFJOP-UHFFFAOYSA-N 0 0 235.218 2.287 50 5 BEBARN CCOc1cc2c(cc1/C=C/[N+](=O)[O-])OCO2 ZINC000000368244 342685057 /nfs/dbraw/zinc/68/50/57/342685057.db2.gz HALSKFIBUKYWPL-ONEGZZNKSA-N 0 0 237.211 2.061 50 5 BEBARN O=[N+]([O-])c1cccc(Br)c1F ZINC000002547857 342723706 /nfs/dbraw/zinc/72/37/06/342723706.db2.gz MWYFDHRLYOKUMH-UHFFFAOYSA-N 0 0 219.997 2.496 50 5 BEBARN Nc1cccc2c1[nH]c1ccccc1c2=O ZINC000005072506 342757667 /nfs/dbraw/zinc/75/76/67/342757667.db2.gz JXMIIUZBDWKSBK-UHFFFAOYSA-N 0 0 210.236 2.264 50 5 BEBARN Cc1ccc(NC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000005618319 342767351 /nfs/dbraw/zinc/76/73/51/342767351.db2.gz YTWKDTGKFWJDQA-UHFFFAOYSA-N 0 0 222.244 2.498 50 5 BEBARN CCOc1ccc(/C=C/[N+](=O)[O-])cc1OC ZINC000002555882 342787837 /nfs/dbraw/zinc/78/78/37/342787837.db2.gz OHUVDXRCVIKNNH-VOTSOKGWSA-N 0 0 223.228 2.341 50 5 BEBARN Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000004334573 342838973 /nfs/dbraw/zinc/83/89/73/342838973.db2.gz AUTLVHYEAAAKNM-UHFFFAOYSA-N 0 0 206.123 2.196 50 5 BEBARN CC(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000004404169 342862573 /nfs/dbraw/zinc/86/25/73/342862573.db2.gz PXXMBAOADHXJSE-UHFFFAOYSA-N 0 0 208.217 2.170 50 5 BEBARN C[C@@H](C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000032906611 342901554 /nfs/dbraw/zinc/90/15/54/342901554.db2.gz DHTAANNPXLXJIU-VIFPVBQESA-N 0 0 248.282 2.465 50 5 BEBARN Cc1ccn(Cc2cccc([N+](=O)[O-])c2)c(=O)c1 ZINC000071857497 398331165 /nfs/dbraw/zinc/33/11/65/398331165.db2.gz KXJQDVDSLZMWQT-UHFFFAOYSA-N 0 0 244.250 2.113 50 5 BEBARN O=[N+]([O-])c1cc(Cl)ncc1Br ZINC000042689591 362016883 /nfs/dbraw/zinc/01/68/83/362016883.db2.gz WXOVZVORCQADFC-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 BEBARN C[C@H]1OC(c2cccc([N+](=O)[O-])c2)O[C@@H]1C ZINC000001679846 187245670 /nfs/dbraw/zinc/24/56/70/187245670.db2.gz SJZKKJDKHOYPBP-HTQZYQBOSA-N 0 0 223.228 2.417 50 5 BEBARN O=[N+]([O-])c1cccc(F)c1OC(F)F ZINC000047203257 343558570 /nfs/dbraw/zinc/55/85/70/343558570.db2.gz IJEQFBATOJWEGM-UHFFFAOYSA-N 0 0 207.107 2.335 50 5 BEBARN O=[N+]([O-])c1cc(Cl)ccc1-n1ccnc1 ZINC000004632437 343717972 /nfs/dbraw/zinc/71/79/72/343717972.db2.gz QNLKISPTZOYPAN-UHFFFAOYSA-N 0 0 223.619 2.434 50 5 BEBARN Nc1cc([N+](=O)[O-])ccc1OC(F)(F)F ZINC000014628566 344527149 /nfs/dbraw/zinc/52/71/49/344527149.db2.gz QMEGHVYHZCJNOH-UHFFFAOYSA-N 0 0 222.122 2.076 50 5 BEBARN CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000146671 344564615 /nfs/dbraw/zinc/56/46/15/344564615.db2.gz FHLKNAGHERYTJV-UHFFFAOYSA-N 0 0 222.244 2.123 50 5 BEBARN CSc1nc2ccc([N+](=O)[O-])cc2o1 ZINC000000174888 344592168 /nfs/dbraw/zinc/59/21/68/344592168.db2.gz SMPNPJSWVLTCKE-UHFFFAOYSA-N 0 0 210.214 2.458 50 5 BEBARN O=[N+]([O-])c1ccc(Cl)c(CO)c1Cl ZINC000000163529 344578798 /nfs/dbraw/zinc/57/87/98/344578798.db2.gz SBOJVVSPAOOEEB-UHFFFAOYSA-N 0 0 222.027 2.394 50 5 BEBARN Cc1c(C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000000272264 344672611 /nfs/dbraw/zinc/67/26/11/344672611.db2.gz UMYTWYYPGACUCY-UHFFFAOYSA-N 0 0 234.255 2.139 50 5 BEBARN O=[N+]([O-])c1cnc(-c2ccccc2)nc1 ZINC000000209700 344632118 /nfs/dbraw/zinc/63/21/18/344632118.db2.gz GXRWVLAMQREVBB-UHFFFAOYSA-N 0 0 201.185 2.052 50 5 BEBARN O=C1CCCC[C@H]1[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000000225048 344648106 /nfs/dbraw/zinc/64/81/06/344648106.db2.gz LWDGESCTOIIBJJ-YPMHNXCESA-N 0 0 249.266 2.388 50 5 BEBARN Cc1ccc(N(/C=C/[N+](=O)[O-])/C=C\[N+](=O)[O-])cc1 ZINC000033482050 344782151 /nfs/dbraw/zinc/78/21/51/344782151.db2.gz MVDDGOZPVGHJMR-MKKAVFGOSA-N 0 0 249.226 2.297 50 5 BEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC1 ZINC000000449735 345758043 /nfs/dbraw/zinc/75/80/43/345758043.db2.gz DEPWZMZRRKSAKH-UHFFFAOYSA-N 0 0 220.228 2.252 50 5 BEBARN COCCCOc1cc(C)c([N+](=O)[O-])cc1F ZINC000185660775 345950255 /nfs/dbraw/zinc/95/02/55/345950255.db2.gz VPHCWHZJCCFJNV-UHFFFAOYSA-N 0 0 243.234 2.458 50 5 BEBARN Cc1nc([N+](=O)[O-])cn1Cc1cccc(C)c1 ZINC000000338676 179109126 /nfs/dbraw/zinc/10/91/26/179109126.db2.gz HJCXLMDLGHLYGF-UHFFFAOYSA-N 0 0 231.255 2.456 50 5 BEBARN Cc1cccc(Cn2ccc([N+](=O)[O-])n2)c1 ZINC000001426782 179109954 /nfs/dbraw/zinc/10/99/54/179109954.db2.gz FCZKJKHYRJYXBO-UHFFFAOYSA-N 0 0 217.228 2.148 50 5 BEBARN COc1cc2cccc([N+](=O)[O-])c2cc1O ZINC000005526702 346622862 /nfs/dbraw/zinc/62/28/62/346622862.db2.gz MLJSVUFNCVMNAB-UHFFFAOYSA-N 0 0 219.196 2.462 50 5 BEBARN Cc1ccc(OCn2cc([N+](=O)[O-])cn2)cc1 ZINC000072334138 191004930 /nfs/dbraw/zinc/00/49/30/191004930.db2.gz HLOUVGYGWRUVMJ-UHFFFAOYSA-N 0 0 233.227 2.136 50 5 BEBARN CCCOc1ncc([N+](=O)[O-])cc1Cl ZINC000221292542 350204677 /nfs/dbraw/zinc/20/46/77/350204677.db2.gz RNPBNFMSIWCSBN-UHFFFAOYSA-N 0 0 216.624 2.432 50 5 BEBARN Cc1nccn1-c1ccc(F)cc1[N+](=O)[O-] ZINC000012399107 350467116 /nfs/dbraw/zinc/46/71/16/350467116.db2.gz OERGHDZELCGWQD-UHFFFAOYSA-N 0 0 221.191 2.228 50 5 BEBARN C/C(=C\c1ccccc1[N+](=O)[O-])[N+](=O)[O-] ZINC000004709225 191120840 /nfs/dbraw/zinc/12/08/40/191120840.db2.gz DBWBKROWASFCCD-VOTSOKGWSA-N 0 0 208.173 2.232 50 5 BEBARN O=[N+]([O-])c1ccc(Oc2ncccn2)cc1 ZINC000000984097 350966053 /nfs/dbraw/zinc/96/60/53/350966053.db2.gz VLNVCMOMPHXWLG-UHFFFAOYSA-N 0 0 217.184 2.177 50 5 BEBARN CC(=O)Nc1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000004622727 187928749 /nfs/dbraw/zinc/92/87/49/187928749.db2.gz GMZZEDGQXDPDGH-UHFFFAOYSA-N 0 0 249.270 2.153 50 5 BEBARN O=[N+]([O-])c1ccc([C@H]2OCCS2)cc1 ZINC000006093300 188052292 /nfs/dbraw/zinc/05/22/92/188052292.db2.gz SXYNPHRNAFQAKD-VIFPVBQESA-N 0 0 211.242 2.357 50 5 BEBARN COc1cc(Br)cc([N+](=O)[O-])c1 ZINC000002526842 188274754 /nfs/dbraw/zinc/27/47/54/188274754.db2.gz MEQKSFQEPDRNEQ-UHFFFAOYSA-N 0 0 232.033 2.366 50 5 BEBARN COc1ccc([N+](=O)[O-])c(Cl)c1OC ZINC000095494780 188320837 /nfs/dbraw/zinc/32/08/37/188320837.db2.gz BYVZLDRFSQXIEM-UHFFFAOYSA-N 0 0 217.608 2.265 50 5 BEBARN COc1c(Br)cccc1[N+](=O)[O-] ZINC000019872893 355356040 /nfs/dbraw/zinc/35/60/40/355356040.db2.gz YAYBLVOBUIXMQY-UHFFFAOYSA-N 0 0 232.033 2.366 50 5 BEBARN C/C(=C/c1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000006292608 357249642 /nfs/dbraw/zinc/24/96/42/357249642.db2.gz FJRNEBOFQOYXSK-VURMDHGXSA-N 0 0 221.212 2.095 50 5 BEBARN NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000000052707 181292459 /nfs/dbraw/zinc/29/24/59/181292459.db2.gz MKGAEQPPIKXYSS-UHFFFAOYSA-N 0 0 239.230 2.045 50 5 BEBARN O=[N+]([O-])C1(C2([N+](=O)[O-])CCCC2)CCCC1 ZINC000001858624 358975199 /nfs/dbraw/zinc/97/51/99/358975199.db2.gz RQLQCUSIOMTSSH-UHFFFAOYSA-N 0 0 228.248 2.165 50 5 BEBARN C[C@@H](CCC(=O)c1ccccc1)[N+](=O)[O-] ZINC000002173696 363849940 /nfs/dbraw/zinc/84/99/40/363849940.db2.gz IEEUIPIRQIGXIT-VIFPVBQESA-N 0 0 207.229 2.315 50 5 BEBARN O=[N+]([O-])c1ccc(NC2CCCC2)nc1 ZINC000020135388 371233213 /nfs/dbraw/zinc/23/32/13/371233213.db2.gz FRZYECCLSBDJOW-UHFFFAOYSA-N 0 0 207.233 2.344 50 5 BEBARN Nc1ccc(-c2ccc(N)cc2[N+](=O)[O-])cc1 ZINC000002165126 181693509 /nfs/dbraw/zinc/69/35/09/181693509.db2.gz YYNCOERMULFLJD-UHFFFAOYSA-N 0 0 229.239 2.426 50 5 BEBARN CNc1cc(C)c2ncccc2c1[N+](=O)[O-] ZINC000096029320 371383397 /nfs/dbraw/zinc/38/33/97/371383397.db2.gz ZPIPENTWMCHUOG-UHFFFAOYSA-N 0 0 217.228 2.493 50 5 BEBARN O=[N+]([O-])c1cc(O)cc(C(F)(F)F)c1 ZINC000002541350 371576534 /nfs/dbraw/zinc/57/65/34/371576534.db2.gz JDIAMHNYAPDMRB-UHFFFAOYSA-N 0 0 207.107 2.319 50 5 BEBARN CC[C@](C)(c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000003080661 371868068 /nfs/dbraw/zinc/86/80/68/371868068.db2.gz MWQJVIRWOXBIOC-SNVBAGLBSA-N 0 0 224.216 2.497 50 5 BEBARN Cc1cc([N+](=O)[O-])cnc1Oc1ccnc(N)c1 ZINC000217691461 371998554 /nfs/dbraw/zinc/99/85/54/371998554.db2.gz OYTGTFWFPYBGMV-UHFFFAOYSA-N 0 0 246.226 2.068 50 5 BEBARN CC(=O)Nc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000004276733 372191520 /nfs/dbraw/zinc/19/15/20/372191520.db2.gz PFFDKLGOPDBQQD-UHFFFAOYSA-N 0 0 232.598 2.346 50 5 BEBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCCC1 ZINC000002737069 182038300 /nfs/dbraw/zinc/03/83/00/182038300.db2.gz MOUQAGCNTIGQFB-UHFFFAOYSA-N 0 0 248.282 2.196 50 5 BEBARN Cn1ccnc1Sc1ccccc1[N+](=O)[O-] ZINC000009090809 373223856 /nfs/dbraw/zinc/22/38/56/373223856.db2.gz CGRSQJHPAIOJOD-UHFFFAOYSA-N 0 0 235.268 2.480 50 5 BEBARN O=C1Nc2cc([N+](=O)[O-])ccc2C1(Cl)Cl ZINC000003163556 182823403 /nfs/dbraw/zinc/82/34/03/182823403.db2.gz ATOMCHWTPJHUHB-UHFFFAOYSA-N 0 0 247.037 2.177 50 5 BEBARN O=[N+]([O-])c1ccc(Br)nc1Cl ZINC000095929599 182929278 /nfs/dbraw/zinc/92/92/78/182929278.db2.gz ZOETZKWSHCVJQA-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 BEBARN O=[N+]([O-])c1ccc(Br)s1 ZINC000001103311 182929725 /nfs/dbraw/zinc/92/97/25/182929725.db2.gz ZPNFMDYBAQDFDY-UHFFFAOYSA-N 0 0 208.036 2.419 50 5 BEBARN O=[N+]([O-])c1ccccc1OC[C@@H]1CCOC1 ZINC000070013370 182952474 /nfs/dbraw/zinc/95/24/74/182952474.db2.gz PIVJRWPMJGIUKB-SECBINFHSA-N 0 0 223.228 2.010 50 5 BEBARN CCCOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000035101576 169301325 /nfs/dbraw/zinc/30/13/25/169301325.db2.gz SOLNRIROLBHRDJ-UHFFFAOYSA-N 0 0 209.201 2.162 50 5 BEBARN CCCOc1c(C)cc([N+](=O)[O-])cc1N ZINC000096316059 169312929 /nfs/dbraw/zinc/31/29/29/169312929.db2.gz NEFJSSKQXYLURE-UHFFFAOYSA-N 0 0 210.233 2.274 50 5 BEBARN CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005250204 169294681 /nfs/dbraw/zinc/29/46/81/169294681.db2.gz VTYSAZUSTIWCND-UHFFFAOYSA-N 0 0 225.204 2.325 50 5 BEBARN Cc1cnn(CCOc2ccccc2[N+](=O)[O-])c1 ZINC000097082538 384324319 /nfs/dbraw/zinc/32/43/19/384324319.db2.gz IDCLZJFKFYOGLD-UHFFFAOYSA-N 0 0 247.254 2.179 50 5 BEBARN COc1cc(Cl)cc([N+](=O)[O-])c1F ZINC000261494028 384330306 /nfs/dbraw/zinc/33/03/06/384330306.db2.gz ODSNAMAQIOSBHT-UHFFFAOYSA-N 0 0 205.572 2.396 50 5 BEBARN CCOc1ccc(F)c([N+](=O)[O-])c1F ZINC000261493741 384330333 /nfs/dbraw/zinc/33/03/33/384330333.db2.gz IIFLHONFMFLZJL-UHFFFAOYSA-N 0 0 203.144 2.272 50 5 BEBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000003159422 385046659 /nfs/dbraw/zinc/04/66/59/385046659.db2.gz PNYIMHVLTKZLCN-VOTSOKGWSA-N 0 0 246.266 2.230 50 5 BEBARN CCCNc1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000034304634 385142798 /nfs/dbraw/zinc/14/27/98/385142798.db2.gz YNIMKYLYDRQUQA-UHFFFAOYSA-N 0 0 238.243 2.203 50 5 BEBARN O=Cc1ccc([N+](=O)[O-])c(Br)c1 ZINC000005427010 385090963 /nfs/dbraw/zinc/09/09/63/385090963.db2.gz ZVNHPTMSLSAAET-UHFFFAOYSA-N 0 0 230.017 2.170 50 5 BEBARN COC(=O)C(C)(C)c1cccc([N+](=O)[O-])c1 ZINC000165321334 385104506 /nfs/dbraw/zinc/10/45/06/385104506.db2.gz UXYZPBKSIFDTJL-UHFFFAOYSA-N 0 0 223.228 2.045 50 5 BEBARN C[C@@H](CO)SCc1ccccc1[N+](=O)[O-] ZINC000096430352 385167303 /nfs/dbraw/zinc/16/73/03/385167303.db2.gz MGASFQSPROSTNK-QMMMGPOBSA-N 0 0 227.285 2.209 50 5 BEBARN O=[N+]([O-])c1c(C(F)F)n[nH]c1C(F)F ZINC000063121433 385211381 /nfs/dbraw/zinc/21/13/81/385211381.db2.gz OVBVROPTVDHBPQ-UHFFFAOYSA-N 0 0 213.090 2.193 50 5 BEBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000000124762 385236771 /nfs/dbraw/zinc/23/67/71/385236771.db2.gz DXRDBEPLCGUYCF-VMPITWQZSA-N 0 0 246.266 2.230 50 5 BEBARN Cc1nnc2c3[nH]c4ccccc4c3ncn12 ZINC000005753144 385589545 /nfs/dbraw/zinc/58/95/45/385589545.db2.gz MBBZHHXWJLGSLP-UHFFFAOYSA-N 0 0 223.239 2.067 50 5 BEBARN Cc1c(/C=C\c2ccc([N+](=O)[O-])cn2)cnn1C ZINC000221974222 385842989 /nfs/dbraw/zinc/84/29/89/385842989.db2.gz KKQHAKXRRHRHRI-ARJAWSKDSA-N 0 0 244.254 2.202 50 5 BEBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCCCCC1 ZINC000003319780 386135033 /nfs/dbraw/zinc/13/50/33/386135033.db2.gz CFBAPNSGBMBYEX-UHFFFAOYSA-N 0 0 238.243 2.204 50 5 BEBARN CC/C=C/CCn1cccc([N+](=O)[O-])c1=O ZINC000186087280 387510091 /nfs/dbraw/zinc/51/00/91/387510091.db2.gz RFWKSSRWJUAVNX-ONEGZZNKSA-N 0 0 222.244 2.113 50 5 BEBARN COC(=O)c1cc([N+](=O)[O-])c(F)cc1Cl ZINC000035333554 387571052 /nfs/dbraw/zinc/57/10/52/387571052.db2.gz DDVYPVSVDYGBPP-UHFFFAOYSA-N 0 0 233.582 2.174 50 5 BEBARN O=[N+]([O-])c1c(F)cccc1N1CC(F)(F)C1 ZINC000169725316 387974487 /nfs/dbraw/zinc/97/44/87/387974487.db2.gz ZTLPWFBIFYWXFQ-UHFFFAOYSA-N 0 0 232.161 2.189 50 5 BEBARN C[C@H](CO)Sc1ccccc1[N+](=O)[O-] ZINC000076065133 388372166 /nfs/dbraw/zinc/37/21/66/388372166.db2.gz FEAASECKMRGLMU-SSDOTTSWSA-N 0 0 213.258 2.068 50 5 BEBARN CCN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000089960860 388376870 /nfs/dbraw/zinc/37/68/70/388376870.db2.gz FLSSBODPPBCLIR-UHFFFAOYSA-N 0 0 212.224 2.186 50 5 BEBARN O=[N+]([O-])c1cnc(Cl)cc1Br ZINC000067171993 388694206 /nfs/dbraw/zinc/69/42/06/388694206.db2.gz DVBAUHSXNQFCQQ-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 BEBARN CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])o1 ZINC000068812928 388716890 /nfs/dbraw/zinc/71/68/90/388716890.db2.gz WNMYFKYXNKXPFH-UHFFFAOYSA-N 0 0 213.189 2.143 50 5 BEBARN C[C@@]1(O)CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000095986701 388800602 /nfs/dbraw/zinc/80/06/02/388800602.db2.gz QWEXDIKGLLCXAL-SNVBAGLBSA-N 0 0 242.300 2.008 50 5 BEBARN CC(=O)Nc1cc(C)cc(C)c1[N+](=O)[O-] ZINC000096316034 388816036 /nfs/dbraw/zinc/81/60/36/388816036.db2.gz MSSWENRBNJUJLA-UHFFFAOYSA-N 0 0 208.217 2.170 50 5 BEBARN O=[N+]([O-])c1ccc(CN2CCSCC2)cc1 ZINC000055542951 388840558 /nfs/dbraw/zinc/84/05/58/388840558.db2.gz NZEPOTOSLXJCLQ-UHFFFAOYSA-N 0 0 238.312 2.144 50 5 BEBARN Nc1cc(N2CCCCC2)ccc1[N+](=O)[O-] ZINC000003883990 132315739 /nfs/dbraw/zinc/31/57/39/132315739.db2.gz AUNKEFOSUQUFCM-UHFFFAOYSA-N 0 0 221.260 2.167 50 5 BEBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000012418077 132321458 /nfs/dbraw/zinc/32/14/58/132321458.db2.gz XCCYGUOUNHECSY-AOOOYVTPSA-N 0 0 236.271 2.208 50 5 BEBARN C[C@@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000022797024 132332903 /nfs/dbraw/zinc/33/29/03/132332903.db2.gz NBGYDISBOSWHNO-AOOOYVTPSA-N 0 0 235.287 2.472 50 5 BEBARN CCN(CC)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000005452768 169744342 /nfs/dbraw/zinc/74/43/42/169744342.db2.gz NCRORLLVRPGZOZ-JXMROGBWSA-N 0 0 248.282 2.476 50 5 BEBARN CCN(CC)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000304594 169759878 /nfs/dbraw/zinc/75/98/78/169759878.db2.gz FHVTZDGKZDAVMG-UHFFFAOYSA-N 0 0 236.271 2.385 50 5 BEBARN CC(=O)c1cc(F)c([N+](=O)[O-])c(F)c1 ZINC000263623275 166444670 /nfs/dbraw/zinc/44/46/70/166444670.db2.gz GDWWNLQSGYPFAL-UHFFFAOYSA-N 0 0 201.128 2.076 50 5 BEBARN CC(C)(C)OC(=O)Nc1cccc([N+](=O)[O-])n1 ZINC000038665651 166669640 /nfs/dbraw/zinc/66/96/40/166669640.db2.gz GCMZCYGUCIAZFG-UHFFFAOYSA-N 0 0 239.231 2.337 50 5 BEBARN CC(C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000000579973 167084073 /nfs/dbraw/zinc/08/40/73/167084073.db2.gz OJORIPCAVZVZRG-SECBINFHSA-N 0 0 236.271 2.223 50 5 BEBARN Cc1ccnc(Sc2ncccc2[N+](=O)[O-])n1 ZINC000004053879 411189193 /nfs/dbraw/zinc/18/91/93/411189193.db2.gz QNYBFIZQNLPGEE-UHFFFAOYSA-N 0 0 248.267 2.239 50 5 BEBARN CCC(=O)Oc1cc([N+](=O)[O-])cc2cccnc21 ZINC000000828290 168250932 /nfs/dbraw/zinc/25/09/32/168250932.db2.gz AGBRYCICKMRADM-UHFFFAOYSA-N 0 0 246.222 2.458 50 5 BEBARN CCOC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000106490664 170212707 /nfs/dbraw/zinc/21/27/07/170212707.db2.gz AAOZBFMIZGCKAI-UHFFFAOYSA-N 0 0 223.228 2.091 50 5 BEBARN CCOC(=O)CSc1ccsc1[N+](=O)[O-] ZINC000003030190 170230153 /nfs/dbraw/zinc/23/01/53/170230153.db2.gz SHRJBMUOCJSSNP-UHFFFAOYSA-N 0 0 247.297 2.312 50 5 BEBARN CCOC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000005257012 170244020 /nfs/dbraw/zinc/24/40/20/170244020.db2.gz APAKUCURVKYOKV-UHFFFAOYSA-N 0 0 224.216 2.472 50 5 BEBARN CCOC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000021303487 170293126 /nfs/dbraw/zinc/29/31/26/170293126.db2.gz OWSPBONPFGBEFL-UHFFFAOYSA-N 0 0 209.201 2.080 50 5 BEBARN CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1F ZINC000054207621 170293154 /nfs/dbraw/zinc/29/31/54/170293154.db2.gz NHEKHQXERSEBAK-UHFFFAOYSA-N 0 0 231.154 2.050 50 5 BEBARN CCOCCOc1ccc([N+](=O)[O-])cc1C ZINC000096007493 170423410 /nfs/dbraw/zinc/42/34/10/170423410.db2.gz JJOQVPQBMURCQL-UHFFFAOYSA-N 0 0 225.244 2.319 50 5 BEBARN CCOc1ncc(Cl)cc1[N+](=O)[O-] ZINC000015021650 170603802 /nfs/dbraw/zinc/60/38/02/170603802.db2.gz ZYBDCRAUJIDTDQ-UHFFFAOYSA-N 0 0 202.597 2.042 50 5 BEBARN CC[C@H](C)OC(=O)c1ccc([N+](=O)[O-])o1 ZINC000004529335 171351455 /nfs/dbraw/zinc/35/14/55/171351455.db2.gz BSVMKZQSUKHMQP-LURJTMIESA-N 0 0 213.189 2.143 50 5 BEBARN CCn1c2cc(C)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000030947859 172133533 /nfs/dbraw/zinc/13/35/33/172133533.db2.gz ZSRJNJMBEUCWMK-UHFFFAOYSA-N 0 0 249.270 2.059 50 5 BEBARN COC(=O)CCCc1ccc([N+](=O)[O-])cc1 ZINC000005996994 173547346 /nfs/dbraw/zinc/54/73/46/173547346.db2.gz IIDUVWAKHMUVPN-UHFFFAOYSA-N 0 0 223.228 2.091 50 5 BEBARN COC(=O)c1ccc(SC)cc1[N+](=O)[O-] ZINC000034202986 173887543 /nfs/dbraw/zinc/88/75/43/173887543.db2.gz XHPMTRIZNFHESE-UHFFFAOYSA-N 0 0 227.241 2.103 50 5 BEBARN COCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000015173571 174342124 /nfs/dbraw/zinc/34/21/24/174342124.db2.gz BNDSBZDFOLAEFC-UHFFFAOYSA-N 0 0 247.254 2.201 50 5 BEBARN COc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000000432690 174970758 /nfs/dbraw/zinc/97/07/58/174970758.db2.gz OUONANJCTLACQN-UHFFFAOYSA-N 0 0 245.238 2.369 50 5 BEBARN COc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000071791983 175017697 /nfs/dbraw/zinc/01/76/97/175017697.db2.gz PYIWWUORUHXNAZ-UHFFFAOYSA-N 0 0 219.143 2.205 50 5 BEBARN COc1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000055562798 175017763 /nfs/dbraw/zinc/01/77/63/175017763.db2.gz ULBJILHSWMGASA-UHFFFAOYSA-N 0 0 222.244 2.204 50 5 BEBARN COc1cc2cccnc2c([N+](=O)[O-])c1 ZINC000000119885 175017869 /nfs/dbraw/zinc/01/78/69/175017869.db2.gz MIMUSZHMZBJBPO-UHFFFAOYSA-N 0 0 204.185 2.152 50 5 BEBARN COc1cc2c(cc1/C=C/[N+](=O)[O-])O[C@H](C)C2 ZINC000004813803 175020212 /nfs/dbraw/zinc/02/02/12/175020212.db2.gz SKUHFWRZMGTHMH-MPJRPATESA-N 0 0 235.239 2.266 50 5 BEBARN COc1ccc([N+](=O)[O-])cc1NC(C)C ZINC000000294231 175200738 /nfs/dbraw/zinc/20/07/38/175200738.db2.gz REROIBZIPDUMTP-UHFFFAOYSA-N 0 0 210.233 2.424 50 5 BEBARN COc1cccc([N+](=O)[O-])c1Br ZINC000006130138 175297779 /nfs/dbraw/zinc/29/77/79/175297779.db2.gz KCFDURKFXBLIAY-UHFFFAOYSA-N 0 0 232.033 2.366 50 5 BEBARN C[C@H]1CCO[C@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000000284520 177179194 /nfs/dbraw/zinc/17/91/94/177179194.db2.gz POWZYXIYDYGNMD-KWQFWETISA-N 0 0 223.228 2.419 50 5 BEBARN C[C@H]1Cc2cccc(/C=C/[N+](=O)[O-])c2O1 ZINC000004837807 177389590 /nfs/dbraw/zinc/38/95/90/177389590.db2.gz QMOOMHGHQYTCLO-GJIOHYHPSA-N 0 0 205.213 2.257 50 5 BEBARN COC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000062153060 536757701 /nfs/dbraw/zinc/75/77/01/536757701.db2.gz WYLHMGUVJWZUBX-UHFFFAOYSA-N 0 0 236.271 2.210 50 5 BEBARN C[C@H]1CO[C@@H](c2ccc([N+](=O)[O-])cc2)O1 ZINC000140078072 583441917 /nfs/dbraw/zinc/44/19/17/583441917.db2.gz XDNXNKYDMUJERW-OIBJUYFYSA-N 0 0 209.201 2.029 50 5 BEBARN CC12CC(C1)CN2c1ccc(N)cc1[N+](=O)[O-] ZINC000585099468 972135243 /nfs/dbraw/zinc/13/52/43/972135243.db2.gz MNUBDFOMEIYDQE-UHFFFAOYSA-N 0 0 233.271 2.166 50 5 BEBARN O=Cc1cc([N+](=O)[O-])ccc1OCC(F)(F)F ZINC000020369770 1170153251 /nfs/dbraw/zinc/15/32/51/1170153251.db2.gz JLEUQNXJGJCVKD-UHFFFAOYSA-N 0 0 249.144 2.348 50 5 BEBARN Cc1cc([N+](=O)[O-])cc2sc(N)nc21 ZINC000000341550 178271301 /nfs/dbraw/zinc/27/13/01/178271301.db2.gz AHSSHSODSGGVBG-UHFFFAOYSA-N 0 0 209.230 2.095 50 5 BEBARN Cc1cc2nc(N)oc2c([N+](=O)[O-])c1Cl ZINC000097757452 178301500 /nfs/dbraw/zinc/30/15/00/178301500.db2.gz OJIYUCZCRWOPSJ-UHFFFAOYSA-N 0 0 227.607 2.280 50 5 BEBARN Cc1cc(=O)oc2cc(C)c([N+](=O)[O-])cc12 ZINC000000194522 178306910 /nfs/dbraw/zinc/30/69/10/178306910.db2.gz LFBQEZTXFHKTPY-UHFFFAOYSA-N 0 0 219.196 2.318 50 5 BEBARN Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21 ZINC000000040303 342670917 /nfs/dbraw/zinc/67/09/17/342670917.db2.gz RZJUMQWTXIXIMY-VOTSOKGWSA-N 0 0 202.213 2.426 50 5 BEBARN CCOc1ccc(-c2c[nH]cn2)cc1[N+](=O)[O-] ZINC000006493509 342778475 /nfs/dbraw/zinc/77/84/75/342778475.db2.gz VUSXUVBUUOISDH-UHFFFAOYSA-N 0 0 233.227 2.384 50 5 BEBARN COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000002310386 398282886 /nfs/dbraw/zinc/28/28/86/398282886.db2.gz ZUJHRMSXVHBDOK-UHFFFAOYSA-N 0 0 248.194 2.036 50 5 BEBARN Cc1cc2nc3ccccc3cc2c(=O)n1C ZINC000006666803 342780638 /nfs/dbraw/zinc/78/06/38/342780638.db2.gz IHZTXJHTCLWCFV-UHFFFAOYSA-N 0 0 224.263 2.395 50 5 BEBARN Cc1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000032777851 342873561 /nfs/dbraw/zinc/87/35/61/342873561.db2.gz KOEMAHFWTOUVIM-UHFFFAOYSA-N 0 0 245.242 2.019 50 5 BEBARN O=[N+]([O-])c1cccc(F)c1Br ZINC000016159283 342907355 /nfs/dbraw/zinc/90/73/55/342907355.db2.gz ICIVWQQTOYDXDM-UHFFFAOYSA-N 0 0 219.997 2.496 50 5 BEBARN COC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004583111 342904403 /nfs/dbraw/zinc/90/44/03/342904403.db2.gz PZIWYTJHXWAKOZ-UHFFFAOYSA-N 0 0 210.189 2.082 50 5 BEBARN CCN(CC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004016377 398327793 /nfs/dbraw/zinc/32/77/93/398327793.db2.gz RAYYZJTYTUPECK-UHFFFAOYSA-N 0 0 239.231 2.349 50 5 BEBARN O=[N+]([O-])c1cccc([C@@H](O)C(F)(F)F)c1 ZINC000000276236 398332834 /nfs/dbraw/zinc/33/28/34/398332834.db2.gz BCYCXBDVLORUCU-SSDOTTSWSA-N 0 0 221.134 2.191 50 5 BEBARN O=[N+]([O-])c1ccn(Cc2cccc(Cl)c2)n1 ZINC000000037046 344016724 /nfs/dbraw/zinc/01/67/24/344016724.db2.gz FPLCBZBUHUXELU-UHFFFAOYSA-N 0 0 237.646 2.493 50 5 BEBARN CCO[C@H]1CN=NN1c1ccc([N+](=O)[O-])cc1 ZINC000034542934 346911848 /nfs/dbraw/zinc/91/18/48/346911848.db2.gz JFUPSNOWOQKVOO-JTQLQIEISA-N 0 0 236.231 2.145 50 5 BEBARN CNc1ccc(C2OCCCO2)cc1[N+](=O)[O-] ZINC000004543839 187247356 /nfs/dbraw/zinc/24/73/56/187247356.db2.gz LNPAOEXEJKMGBA-UHFFFAOYSA-N 0 0 238.243 2.072 50 5 BEBARN O=[N+]([O-])c1ccc([O-])cc1C(F)(F)F ZINC000035052112 343283693 /nfs/dbraw/zinc/28/36/93/343283693.db2.gz ZEFMBAFMCSYJOO-UHFFFAOYSA-N 0 0 207.107 2.319 50 5 BEBARN O=[N+]([O-])c1c2[nH]cnc2ccc1Br ZINC000021303890 187254005 /nfs/dbraw/zinc/25/40/05/187254005.db2.gz DIXVWNMTELJZIY-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN CC(=O)N1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000032099179 187256127 /nfs/dbraw/zinc/25/61/27/187256127.db2.gz WFZCJZLWNBAQDW-UHFFFAOYSA-N 0 0 234.255 2.239 50 5 BEBARN CCOc1ccc(OCC)c([N+](=O)[O-])c1 ZINC000000056419 344097613 /nfs/dbraw/zinc/09/76/13/344097613.db2.gz AUCRWWWSFGZHBK-UHFFFAOYSA-N 0 0 211.217 2.392 50 5 BEBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000000053931 344097763 /nfs/dbraw/zinc/09/77/63/344097763.db2.gz CAKBAYWOHIUVHR-UHFFFAOYSA-N 0 0 234.255 2.221 50 5 BEBARN CC(C)(C)c1c([N+](=O)[O-])cc(N)cc1[N+](=O)[O-] ZINC000096316048 187288558 /nfs/dbraw/zinc/28/85/58/187288558.db2.gz OGZINIFYQIORFV-UHFFFAOYSA-N 0 0 239.231 2.383 50 5 BEBARN Cc1c(NC(=O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000000095898 344328788 /nfs/dbraw/zinc/32/87/88/344328788.db2.gz YCFQKHLDFAJDDT-UHFFFAOYSA-N 0 0 248.160 2.404 50 5 BEBARN CC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000103322 344404919 /nfs/dbraw/zinc/40/49/19/344404919.db2.gz XKXSZQPEOSWWTH-MRVPVSSYSA-N 0 0 222.244 2.123 50 5 BEBARN Cc1c(C2=NC(C)(C)CO2)cccc1[N+](=O)[O-] ZINC000000305285 344682841 /nfs/dbraw/zinc/68/28/41/344682841.db2.gz JKBQEJQMTASJLJ-UHFFFAOYSA-N 0 0 234.255 2.459 50 5 BEBARN Cc1ccc(Nc2ncnc(N)c2[N+](=O)[O-])cc1 ZINC000004058751 178781763 /nfs/dbraw/zinc/78/17/63/178781763.db2.gz VYTLHXVWIBQMFJ-UHFFFAOYSA-N 0 0 245.242 2.019 50 5 BEBARN Cc1nc(CNc2ncccc2[N+](=O)[O-])oc1C ZINC000048837341 344978914 /nfs/dbraw/zinc/97/89/14/344978914.db2.gz UOVLPXLLPNYYHS-UHFFFAOYSA-N 0 0 248.242 2.207 50 5 BEBARN Cn1ccnc1Sc1ccc([N+](=O)[O-])cc1 ZINC000000446804 345757487 /nfs/dbraw/zinc/75/74/87/345757487.db2.gz CGDALIVPMOPCRV-UHFFFAOYSA-N 0 0 235.268 2.480 50 5 BEBARN Cc1c(Br)cc(N)cc1[N+](=O)[O-] ZINC000000346040 187360950 /nfs/dbraw/zinc/36/09/50/187360950.db2.gz FJRVWYCECCQKPB-UHFFFAOYSA-N 0 0 231.049 2.248 50 5 BEBARN Cc1cc(C)c2c(N)c([N+](=O)[O-])sc2n1 ZINC000005394269 346210124 /nfs/dbraw/zinc/21/01/24/346210124.db2.gz IQZPLYFGAHWBDZ-UHFFFAOYSA-N 0 0 223.257 2.404 50 5 BEBARN Cc1cccc(C(=O)N2CCCC2)c1[N+](=O)[O-] ZINC000006524425 179006722 /nfs/dbraw/zinc/00/67/22/179006722.db2.gz KZZHCAQPMLUGEK-UHFFFAOYSA-N 0 0 234.255 2.139 50 5 BEBARN Cc1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000005423216 346219122 /nfs/dbraw/zinc/21/91/22/346219122.db2.gz HZGPNJQZKRDJDL-UHFFFAOYSA-N 0 0 203.201 2.089 50 5 BEBARN Cc1ncc([N+](=O)[O-])n1Cc1cccc(C)c1 ZINC000004912795 179110007 /nfs/dbraw/zinc/11/00/07/179110007.db2.gz SCSRGORRTDOFSD-UHFFFAOYSA-N 0 0 231.255 2.456 50 5 BEBARN Cc1cccc(Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000010023498 179109598 /nfs/dbraw/zinc/10/95/98/179109598.db2.gz PHGZETGLHZIMGJ-UHFFFAOYSA-N 0 0 244.250 2.113 50 5 BEBARN Nc1cccnc1Sc1ccc([N+](=O)[O-])cn1 ZINC000000481341 346604790 /nfs/dbraw/zinc/60/47/90/346604790.db2.gz JVOKFXMOTGUTFQ-UHFFFAOYSA-N 0 0 248.267 2.118 50 5 BEBARN Cc1cccc2c1nc1ccccc1[n+]2[O-] ZINC000004426039 179225884 /nfs/dbraw/zinc/22/58/84/179225884.db2.gz BKSUFVWLIXTKHV-UHFFFAOYSA-N 0 0 210.236 2.330 50 5 BEBARN O=C1CCSc2ccc([N+](=O)[O-])cc2N1 ZINC000196115804 347484056 /nfs/dbraw/zinc/48/40/56/347484056.db2.gz CFYXOEJKAQZZSQ-UHFFFAOYSA-N 0 0 224.241 2.029 50 5 BEBARN Cc1ccccc1Nc1ncnc(N)c1[N+](=O)[O-] ZINC000004059570 179308156 /nfs/dbraw/zinc/30/81/56/179308156.db2.gz QQKCVCNUNJHBNC-UHFFFAOYSA-N 0 0 245.242 2.019 50 5 BEBARN Cc1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000069661967 179352475 /nfs/dbraw/zinc/35/24/75/179352475.db2.gz IATIWPXEHDQWFA-UHFFFAOYSA-N 0 0 244.250 2.113 50 5 BEBARN Cc1cccnc1CNc1ccc([N+](=O)[O-])cn1 ZINC000069846089 179384158 /nfs/dbraw/zinc/38/41/58/179384158.db2.gz KFNRMIOCGRCECG-UHFFFAOYSA-N 0 0 244.254 2.305 50 5 BEBARN Cc1cccnc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000000377479 179393892 /nfs/dbraw/zinc/39/38/92/179393892.db2.gz MMZGCCYXQAGFBN-UHFFFAOYSA-N 0 0 247.210 2.144 50 5 BEBARN COc1nc2ccccc2cc1[N+](=O)[O-] ZINC000118370933 348991827 /nfs/dbraw/zinc/99/18/27/348991827.db2.gz VXKHEYYXMJHZER-UHFFFAOYSA-N 0 0 204.185 2.152 50 5 BEBARN Cc1ccc2[nH]c3c4nncn4cnc3c2c1 ZINC000005533652 348956201 /nfs/dbraw/zinc/95/62/01/348956201.db2.gz VQMMBQAWUWEMPV-UHFFFAOYSA-N 0 0 223.239 2.067 50 5 BEBARN Cc1nccc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000000096318 180179230 /nfs/dbraw/zinc/17/92/30/180179230.db2.gz CXQWESMWAOTKKE-UHFFFAOYSA-N 0 0 215.212 2.360 50 5 BEBARN Cc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000014986130 350226740 /nfs/dbraw/zinc/22/67/40/350226740.db2.gz UECPDWARCDGMQV-UHFFFAOYSA-N 0 0 216.580 2.465 50 5 BEBARN O=[N+]([O-])c1cccc2[nH]nc(Br)c21 ZINC000014983387 350227899 /nfs/dbraw/zinc/22/78/99/350227899.db2.gz BKYFEBHLYKLAJH-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN Cc1noc(COc2cc([N+](=O)[O-])ccc2C)n1 ZINC000042180354 180490456 /nfs/dbraw/zinc/49/04/56/180490456.db2.gz AEBBLKGEWACVPH-UHFFFAOYSA-N 0 0 249.226 2.174 50 5 BEBARN CNc1cccc(Br)c1[N+](=O)[O-] ZINC000032914663 187593643 /nfs/dbraw/zinc/59/36/43/187593643.db2.gz CSEVRXHXBSVRQN-UHFFFAOYSA-N 0 0 231.049 2.399 50 5 BEBARN C/C=C/C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000002156379 187712744 /nfs/dbraw/zinc/71/27/44/187712744.db2.gz YIXZESGJBGSPNH-ONEGZZNKSA-N 0 0 236.227 2.118 50 5 BEBARN O=[N+]([O-])c1cc(Br)ccc1F ZINC000002582087 187926707 /nfs/dbraw/zinc/92/67/07/187926707.db2.gz UQEANKGXXSENNF-UHFFFAOYSA-N 0 0 219.997 2.496 50 5 BEBARN O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000002013356 363206418 /nfs/dbraw/zinc/20/64/18/363206418.db2.gz GFJKASVFAWFUNI-UHFFFAOYSA-N 0 0 202.553 2.156 50 5 BEBARN CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004300400 188276884 /nfs/dbraw/zinc/27/68/84/188276884.db2.gz OAFVRHMRZVHVDQ-UHFFFAOYSA-N 0 0 214.608 2.207 50 5 BEBARN COc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000047212295 188297738 /nfs/dbraw/zinc/29/77/38/188297738.db2.gz VZGHMCGCQCEIRQ-UHFFFAOYSA-N 0 0 222.122 2.017 50 5 BEBARN CC(C)[C@H](CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000076061350 188309693 /nfs/dbraw/zinc/30/96/93/188309693.db2.gz IDGJQCITPRJBEY-LBPRGKRZSA-N 0 0 238.287 2.414 50 5 BEBARN Cc1cc(C)n([C@@H](C[N+](=O)[O-])c2ccccc2)n1 ZINC000004275509 188332384 /nfs/dbraw/zinc/33/23/84/188332384.db2.gz YPOXKJXJKIWPRT-ZDUSSCGKSA-N 0 0 245.282 2.366 50 5 BEBARN CC(=O)Nc1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000001441473 355365955 /nfs/dbraw/zinc/36/59/55/355365955.db2.gz IEUCRMKQLNIHFZ-UHFFFAOYSA-N 0 0 222.244 2.478 50 5 BEBARN O=[N+]([O-])c1cccnc1Oc1cccnc1 ZINC000013152221 361319222 /nfs/dbraw/zinc/31/92/22/361319222.db2.gz KVDKJMUQUZICCH-UHFFFAOYSA-N 0 0 217.184 2.177 50 5 BEBARN Cc1c(N)c([N+](=O)[O-])cc(Br)c1F ZINC000012336432 370848802 /nfs/dbraw/zinc/84/88/02/370848802.db2.gz BYDOVOFDXMMLLN-UHFFFAOYSA-N 0 0 249.039 2.387 50 5 BEBARN COC(=O)c1cc([N+](=O)[O-])c(OC)cc1Cl ZINC000117112824 370876347 /nfs/dbraw/zinc/87/63/47/370876347.db2.gz CTRKTHJHCFTDHI-UHFFFAOYSA-N 0 0 245.618 2.043 50 5 BEBARN COc1c(C(C)=O)cc(C)cc1[N+](=O)[O-] ZINC000002511068 371141773 /nfs/dbraw/zinc/14/17/73/371141773.db2.gz XCNAPKFGEIQXKT-UHFFFAOYSA-N 0 0 209.201 2.114 50 5 BEBARN COC(=O)c1cc(C)c(Cl)c([N+](=O)[O-])c1 ZINC000132174397 371761433 /nfs/dbraw/zinc/76/14/33/371761433.db2.gz SOZUENKOINTEGW-UHFFFAOYSA-N 0 0 229.619 2.343 50 5 BEBARN Cn1cccc1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003166303 371898332 /nfs/dbraw/zinc/89/83/32/371898332.db2.gz BCYUCOTXUBWXBX-UHFFFAOYSA-N 0 0 230.223 2.164 50 5 BEBARN CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000003961534 372105068 /nfs/dbraw/zinc/10/50/68/372105068.db2.gz YATAVUWVWRFIRI-UHFFFAOYSA-N 0 0 208.217 2.333 50 5 BEBARN C[C@@H](O)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000004142202 372151646 /nfs/dbraw/zinc/15/16/46/372151646.db2.gz NAHNGRSZAGFPTJ-ZCFIWIBFSA-N 0 0 230.651 2.041 50 5 BEBARN Nc1ccccc1Nc1ccncc1[N+](=O)[O-] ZINC000004190850 372162764 /nfs/dbraw/zinc/16/27/64/372162764.db2.gz WXUYFMQIXXKENB-UHFFFAOYSA-N 0 0 230.227 2.316 50 5 BEBARN Nc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000004283592 372194580 /nfs/dbraw/zinc/19/45/80/372194580.db2.gz JBXZCPXEYAEMJS-UHFFFAOYSA-N 0 0 207.016 2.484 50 5 BEBARN O=C(COc1ccccc1[N+](=O)[O-])c1ccc[nH]1 ZINC000005109227 182004326 /nfs/dbraw/zinc/00/43/26/182004326.db2.gz UGJXLJBYDZCTCO-UHFFFAOYSA-N 0 0 246.222 2.185 50 5 BEBARN O=[N+]([O-])c1ccc(OC(F)F)c(F)c1 ZINC000039596524 373005015 /nfs/dbraw/zinc/00/50/15/373005015.db2.gz GJLRUCVWLFOGHP-UHFFFAOYSA-N 0 0 207.107 2.335 50 5 BEBARN O=C(NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000000368769 182111640 /nfs/dbraw/zinc/11/16/40/182111640.db2.gz QDSZTSLXMPVSJZ-UHFFFAOYSA-N 0 0 234.255 2.267 50 5 BEBARN O=C(NCc1ccccc1)c1ccc([N+](=O)[O-])o1 ZINC000000066723 182257658 /nfs/dbraw/zinc/25/76/58/182257658.db2.gz PCZTWTWJVSEJSX-UHFFFAOYSA-N 0 0 246.222 2.118 50 5 BEBARN O=C(NCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000000335088 182262802 /nfs/dbraw/zinc/26/28/02/182262802.db2.gz ZRUFGTGGCIUPEC-UHFFFAOYSA-N 0 0 246.222 2.118 50 5 BEBARN CCOC(=O)c1cc(F)c([N+](=O)[O-])c(F)c1 ZINC000263623907 170292560 /nfs/dbraw/zinc/29/25/60/170292560.db2.gz LSJBBQALGCTFQH-UHFFFAOYSA-N 0 0 231.154 2.050 50 5 BEBARN O=[N+]([O-])c1ccc(CSc2ncccn2)o1 ZINC000044123730 182930938 /nfs/dbraw/zinc/93/09/38/182930938.db2.gz CVLZFGFZBWLRKQ-UHFFFAOYSA-N 0 0 237.240 2.270 50 5 BEBARN O=[N+]([O-])c1ccc(NCc2ccco2)nc1 ZINC000020031408 182935707 /nfs/dbraw/zinc/93/57/07/182935707.db2.gz DXUFBHDHPVBJLA-UHFFFAOYSA-N 0 0 219.200 2.195 50 5 BEBARN O=[N+]([O-])c1ccccc1-n1cc(Cl)cn1 ZINC000072334136 182947611 /nfs/dbraw/zinc/94/76/11/182947611.db2.gz OCQGRMHQAWSOGW-UHFFFAOYSA-N 0 0 223.619 2.434 50 5 BEBARN O=[N+]([O-])c1ccccc1[C@@H](O)C(F)(F)F ZINC000039054614 182952396 /nfs/dbraw/zinc/95/23/96/182952396.db2.gz ABHAFAQMIBXHIR-SSDOTTSWSA-N 0 0 221.134 2.191 50 5 BEBARN O=[N+]([O-])c1ccccc1[C@H](O)c1cccnc1 ZINC000090225686 182952528 /nfs/dbraw/zinc/95/25/28/182952528.db2.gz ILBZRJIMVDYIQQ-GFCCVEGCSA-N 0 0 230.223 2.072 50 5 BEBARN O=[N+]([O-])c1cccnc1NCCc1ccccn1 ZINC000020031400 182953496 /nfs/dbraw/zinc/95/34/96/182953496.db2.gz RZKQTEUJVPKLDG-UHFFFAOYSA-N 0 0 244.254 2.039 50 5 BEBARN O=[N+]([O-])c1ccc(OCC2CCC2)nc1 ZINC000039325846 182939134 /nfs/dbraw/zinc/93/91/34/182939134.db2.gz JQLCPQKFLHRBHF-UHFFFAOYSA-N 0 0 208.217 2.169 50 5 BEBARN O=c1oc(=O)c2ccccc2c2ccccc21 ZINC000000388294 183011199 /nfs/dbraw/zinc/01/11/99/183011199.db2.gz RTSGJTANVBJFFJ-UHFFFAOYSA-N 0 0 224.215 2.306 50 5 BEBARN CCCOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001599504 169301789 /nfs/dbraw/zinc/30/17/89/169301789.db2.gz KXUOYHZSTGGNCK-UHFFFAOYSA-N 0 0 209.201 2.162 50 5 BEBARN CCCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000095495542 169293787 /nfs/dbraw/zinc/29/37/87/169293787.db2.gz ZBHQTHIGEDJEFH-UHFFFAOYSA-N 0 0 238.243 2.203 50 5 BEBARN CCCNc1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000009482537 169294688 /nfs/dbraw/zinc/29/46/88/169294688.db2.gz AIRSGVVWVFXTPO-UHFFFAOYSA-N 0 0 238.243 2.203 50 5 BEBARN O=C(Nc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000000172027 383863416 /nfs/dbraw/zinc/86/34/16/383863416.db2.gz MEDSKVRQASSYGD-UHFFFAOYSA-N 0 0 249.251 2.304 50 5 BEBARN COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000000164185 383830427 /nfs/dbraw/zinc/83/04/27/383830427.db2.gz VCYWZLGOWNCJNJ-UHFFFAOYSA-N 0 0 215.592 2.035 50 5 BEBARN Cc1c(Br)nccc1[N+](=O)[O-] ZINC000095837025 384403508 /nfs/dbraw/zinc/40/35/08/384403508.db2.gz ZJAOQVPWZPIWQF-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 BEBARN CN(Cc1ccco1)c1ncccc1[N+](=O)[O-] ZINC000045292424 384386237 /nfs/dbraw/zinc/38/62/37/384386237.db2.gz MQROSLPFOBOYRE-UHFFFAOYSA-N 0 0 233.227 2.219 50 5 BEBARN Cc1noc(/C=C\c2ccncc2)c1[N+](=O)[O-] ZINC000013483781 384861929 /nfs/dbraw/zinc/86/19/29/384861929.db2.gz MRFNZEUJMSUGTE-IHWYPQMZSA-N 0 0 231.211 2.457 50 5 BEBARN O=Cc1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000000075362 384925565 /nfs/dbraw/zinc/92/55/65/384925565.db2.gz PMFWIANLJTWYNH-UHFFFAOYSA-N 0 0 216.196 2.198 50 5 BEBARN O=[N+]([O-])c1ccc(-n2cc(Cl)cn2)cc1 ZINC000072334135 384979862 /nfs/dbraw/zinc/97/98/62/384979862.db2.gz JZIKLPMGHGNVPA-UHFFFAOYSA-N 0 0 223.619 2.434 50 5 BEBARN Nc1cc([N+](=O)[O-])cc(Cl)c1Cl ZINC000263624522 385008522 /nfs/dbraw/zinc/00/85/22/385008522.db2.gz RHAVCTRIPXIQPP-UHFFFAOYSA-N 0 0 207.016 2.484 50 5 BEBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 ZINC000064625194 385280711 /nfs/dbraw/zinc/28/07/11/385280711.db2.gz HJRJRUMKQCMYDL-UHFFFAOYSA-N 0 0 247.550 2.065 50 5 in-vitro BEBARN COC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000015443001 385987139 /nfs/dbraw/zinc/98/71/39/385987139.db2.gz WYTRZKAYPKZGCN-UHFFFAOYSA-N 0 0 249.144 2.400 50 5 BEBARN COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1F ZINC000035333507 387571810 /nfs/dbraw/zinc/57/18/10/387571810.db2.gz RQAOESHTSVXKSI-UHFFFAOYSA-N 0 0 233.582 2.174 50 5 BEBARN CC(=O)Nc1cc(F)c(C)cc1[N+](=O)[O-] ZINC000217040848 388363777 /nfs/dbraw/zinc/36/37/77/388363777.db2.gz BEXBLSMYOFCYCW-UHFFFAOYSA-N 0 0 212.180 2.001 50 5 BEBARN O=[N+]([O-])c1ccc(-c2nc(Cl)n[nH]2)cc1 ZINC000059386660 388395318 /nfs/dbraw/zinc/39/53/18/388395318.db2.gz YEINSCGHKMFRGU-UHFFFAOYSA-N 0 0 224.607 2.033 50 5 BEBARN CC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000078574685 388682825 /nfs/dbraw/zinc/68/28/25/388682825.db2.gz IDZBAAJJFVMDQI-UHFFFAOYSA-N 0 0 221.260 2.226 50 5 BEBARN CCOc1cc(Cn2ccnc2)ccc1[N+](=O)[O-] ZINC000276856142 388742811 /nfs/dbraw/zinc/74/28/11/388742811.db2.gz FRSXFUFRRTWBMX-UHFFFAOYSA-N 0 0 247.254 2.238 50 5 BEBARN C[C@H](O)C(C)(C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000095447229 388771908 /nfs/dbraw/zinc/77/19/08/388771908.db2.gz OWYAABVFQWDZGM-ZETCQYMHSA-N 0 0 242.250 2.305 50 5 BEBARN O=[N+]([O-])c1ccc(Cl)cc1N1CCOCC1 ZINC000003877848 132315727 /nfs/dbraw/zinc/31/57/27/132315727.db2.gz BDBMOQCOLZWAIO-UHFFFAOYSA-N 0 0 242.662 2.085 50 5 BEBARN CC(C)NC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000024233082 167079562 /nfs/dbraw/zinc/07/95/62/167079562.db2.gz PLONQUZHJQIGCO-UHFFFAOYSA-N 0 0 223.232 2.125 50 5 BEBARN O=C1Nc2ccc([N+](=O)[O-])c3cccc1c23 ZINC000004020504 411187663 /nfs/dbraw/zinc/18/76/63/411187663.db2.gz PNSWIQHOUVJDSL-UHFFFAOYSA-N 0 0 214.180 2.314 50 5 BEBARN CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000009883795 170102794 /nfs/dbraw/zinc/10/27/94/170102794.db2.gz PHVYERBPQANHIL-UHFFFAOYSA-N 0 0 240.284 2.066 50 5 BEBARN CCOC(=N)c1ccc([N+](=O)[O-])s1 ZINC000000076230 170180375 /nfs/dbraw/zinc/18/03/75/170180375.db2.gz VEWRKVMPQCZPGA-UHFFFAOYSA-N 0 0 200.219 2.018 50 5 BEBARN CCOC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000242830 170243907 /nfs/dbraw/zinc/24/39/07/170243907.db2.gz AYJFWTBDUMVOBQ-UHFFFAOYSA-N 0 0 224.216 2.472 50 5 BEBARN CCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001081483 170296474 /nfs/dbraw/zinc/29/64/74/170296474.db2.gz BLNLZRQIUGDTAO-UHFFFAOYSA-N 0 0 229.619 2.425 50 5 BEBARN CCOc1ccc2nc3[nH]cccc-3c(=O)c2c1 ZINC000006901757 170566955 /nfs/dbraw/zinc/56/69/55/170566955.db2.gz MHRGJENFUVUTMN-UHFFFAOYSA-N 0 0 240.262 2.475 50 5 BEBARN CC[C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000006390942 170749010 /nfs/dbraw/zinc/74/90/10/170749010.db2.gz GACKSXXLXANRQH-SECBINFHSA-N 0 0 236.271 2.432 50 5 BEBARN CC[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000006603681 171327981 /nfs/dbraw/zinc/32/79/81/171327981.db2.gz YEZILAHNFXTIFO-VIFPVBQESA-N 0 0 236.271 2.052 50 5 BEBARN COC(=O)CCSc1sccc1[N+](=O)[O-] ZINC000067802495 173565181 /nfs/dbraw/zinc/56/51/81/173565181.db2.gz VKKAMKRVCXCYJF-UHFFFAOYSA-N 0 0 247.297 2.312 50 5 BEBARN COCCCNc1ccc([N+](=O)[O-])cc1 ZINC000004760011 174252148 /nfs/dbraw/zinc/25/21/48/174252148.db2.gz JBTPRUMXWADORW-UHFFFAOYSA-N 0 0 210.233 2.043 50 5 BEBARN COC[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000021802805 174553834 /nfs/dbraw/zinc/55/38/34/174553834.db2.gz GHXNCUSBUCBOBU-QMMMGPOBSA-N 0 0 210.233 2.042 50 5 BEBARN COc1ccc(-c2ccc([N+](=O)[O-])c(N)n2)cc1 ZINC000072446997 175034283 /nfs/dbraw/zinc/03/42/83/175034283.db2.gz WLALRLWLJWSIKI-UHFFFAOYSA-N 0 0 245.238 2.248 50 5 BEBARN COc1ccc(OC(F)F)cc1[N+](=O)[O-] ZINC000072193619 175162753 /nfs/dbraw/zinc/16/27/53/175162753.db2.gz LNMYSNWCFMTLSZ-UHFFFAOYSA-N 0 0 219.143 2.205 50 5 BEBARN COc1ccc([N+](=O)[O-])cc1OC(C)C ZINC000031777034 175201234 /nfs/dbraw/zinc/20/12/34/175201234.db2.gz KRMWWKXKXPFGSF-UHFFFAOYSA-N 0 0 211.217 2.391 50 5 BEBARN COc1ccc2nc3ccc(=O)cc-3oc2c1 ZINC000004521696 175230325 /nfs/dbraw/zinc/23/03/25/175230325.db2.gz KNYYMGDYROYBRE-UHFFFAOYSA-N 0 0 227.219 2.301 50 5 in-vitro BEBARN COc1cccc(/C=C(\C)[N+](=O)[O-])c1OC ZINC000005220669 175239974 /nfs/dbraw/zinc/23/99/74/175239974.db2.gz MMLNTSKEWFKJQF-BQYQJAHWSA-N 0 0 223.228 2.341 50 5 BEBARN COc1ccnc(Oc2ccccc2[N+](=O)[O-])n1 ZINC000009051566 175368425 /nfs/dbraw/zinc/36/84/25/175368425.db2.gz VYPKSJAMOSZAMP-UHFFFAOYSA-N 0 0 247.210 2.186 50 5 BEBARN C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000002741766 177095230 /nfs/dbraw/zinc/09/52/30/177095230.db2.gz FODWPAJNDQBOLX-JTQLQIEISA-N 0 0 248.282 2.467 50 5 BEBARN C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000000272835 177095343 /nfs/dbraw/zinc/09/53/43/177095343.db2.gz YOQXJJARPAWPJV-QMMMGPOBSA-N 0 0 238.243 2.060 50 5 BEBARN C[C@H]1CCC[C@@H](CCn2cnc([N+](=O)[O-])n2)C1 ZINC000252480877 177119266 /nfs/dbraw/zinc/11/92/66/177119266.db2.gz CFRLVHVKGMZKSC-UWVGGRQHSA-N 0 0 238.291 2.403 50 5 BEBARN C[C@@H]1CO[C@H](c2ccc([N+](=O)[O-])cc2)O1 ZINC000140077710 583441654 /nfs/dbraw/zinc/44/16/54/583441654.db2.gz XDNXNKYDMUJERW-XCBNKYQSSA-N 0 0 209.201 2.029 50 5 BEBARN O=[N+]([O-])c1ccc(OC[C@H]2CO2)c(Cl)c1 ZINC000022222055 590389787 /nfs/dbraw/zinc/38/97/87/590389787.db2.gz QVEGEDSWHHPLLK-SSDOTTSWSA-N 0 0 229.619 2.026 50 5 BEBARN CC(C)(C)Nc1ccc2nonc2c1[N+](=O)[O-] ZINC000004006691 633910718 /nfs/dbraw/zinc/91/07/18/633910718.db2.gz QEAIZBWPDXRIIE-UHFFFAOYSA-N 0 0 236.231 2.341 50 5 BEBARN Cc1cccc2c1nc1cc[nH]cc-1c2=O ZINC000238532971 636722126 /nfs/dbraw/zinc/72/21/26/636722126.db2.gz XESGCZVTAMZXMQ-UHFFFAOYSA-N 0 0 210.236 2.385 50 5 BEBARN Cc1conc1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000708354226 712190009 /nfs/dbraw/zinc/19/00/09/712190009.db2.gz QZNFNMADCKDMGI-UHFFFAOYSA-N 0 0 248.242 2.207 50 5 BEBARN Cc1conc1CNc1nccc(C)c1[N+](=O)[O-] ZINC000708354721 712190355 /nfs/dbraw/zinc/19/03/55/712190355.db2.gz VTIYEEPSTQEUID-UHFFFAOYSA-N 0 0 248.242 2.207 50 5 BEBARN CC(C)COc1ccc([N+](=O)[O-])c(F)n1 ZINC000261493413 187330976 /nfs/dbraw/zinc/33/09/76/187330976.db2.gz AOVHYDNHWMIQGY-UHFFFAOYSA-N 0 0 214.196 2.164 50 5 BEBARN O=[N+]([O-])c1cccc(Br)c1 ZINC000001566594 342703374 /nfs/dbraw/zinc/70/33/74/342703374.db2.gz FWIROFMBWVMWLB-UHFFFAOYSA-N 0 0 202.007 2.357 50 5 in-vitro BEBARN O=c1c2ccc(O)cc2oc2cc(O)ccc21 ZINC000003894834 342739086 /nfs/dbraw/zinc/73/90/86/342739086.db2.gz POARTHFLPKAZBQ-UHFFFAOYSA-N 0 0 228.203 2.357 50 5 biogenic BEBARN CC(C)(C)[S@@](=O)Nc1cccc([N+](=O)[O-])c1 ZINC000200968272 342776145 /nfs/dbraw/zinc/77/61/45/342776145.db2.gz SOOBQSLCKBIXMZ-MRXNPFEDSA-N 0 0 242.300 2.469 50 5 BEBARN CCc1nc(COc2ccc([N+](=O)[O-])cc2)no1 ZINC000059962035 342878194 /nfs/dbraw/zinc/87/81/94/342878194.db2.gz GWOZPQAHSRKOQL-UHFFFAOYSA-N 0 0 249.226 2.119 50 5 BEBARN CSC(=C[N+](=O)[O-])Nc1ccc(O)cc1F ZINC000005211184 187248246 /nfs/dbraw/zinc/24/82/46/187248246.db2.gz BHJZOMXYVPCLJQ-WEVVVXLNSA-N 0 0 244.247 2.382 50 5 BEBARN Cc1c(N)ccc(Br)c1[N+](=O)[O-] ZINC000036532850 187258850 /nfs/dbraw/zinc/25/88/50/187258850.db2.gz NPLDFXDXQWVDGE-UHFFFAOYSA-N 0 0 231.049 2.248 50 5 BEBARN COCc1cc([N+](=O)[O-])ccc1Cl ZINC000036964917 187259041 /nfs/dbraw/zinc/25/90/41/187259041.db2.gz DFVKPXXXKCFXAX-UHFFFAOYSA-N 0 0 201.609 2.395 50 5 BEBARN Cc1ncc([N+](=O)[O-])n1Cc1ccc(C)cc1 ZINC000000083972 344267763 /nfs/dbraw/zinc/26/77/63/344267763.db2.gz UGCFQZBYJXGSJH-UHFFFAOYSA-N 0 0 231.255 2.456 50 5 BEBARN O=[N+]([O-])c1cccc(-c2ccc(CO)o2)c1 ZINC000000122871 344554190 /nfs/dbraw/zinc/55/41/90/344554190.db2.gz FYHBDKDVWMCYFS-UHFFFAOYSA-N 0 0 219.196 2.347 50 5 BEBARN O=[N+]([O-])c1ccc(C2=CSC3=NCCN23)cc1 ZINC000000121988 344554852 /nfs/dbraw/zinc/55/48/52/344554852.db2.gz VKVUEAYHLDCFSV-UHFFFAOYSA-N 0 0 247.279 2.312 50 5 BEBARN O=[N+]([O-])c1cc2nccnc2cc1Cl ZINC000000155712 344569321 /nfs/dbraw/zinc/56/93/21/344569321.db2.gz GVENYEPMSTYETH-UHFFFAOYSA-N 0 0 209.592 2.191 50 5 BEBARN Cc1cc(C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000000284807 344674914 /nfs/dbraw/zinc/67/49/14/344674914.db2.gz MGHRNLYCLGVMGJ-UHFFFAOYSA-N 0 0 236.271 2.432 50 5 BEBARN O=[N+]([O-])c1cc(C[NH+]2CCCCC2)ccc1[O-] ZINC000004986344 344883002 /nfs/dbraw/zinc/88/30/02/344883002.db2.gz JRKBMNFGGHIIOJ-UHFFFAOYSA-N 0 0 236.271 2.286 50 5 BEBARN O=[N+]([O-])c1ccc(-c2cscn2)cn1 ZINC000669379283 537976736 /nfs/dbraw/zinc/97/67/36/537976736.db2.gz BANSSZWNYPZSMR-UHFFFAOYSA-N 0 0 207.214 2.113 50 5 BEBARN Nc1cc2nc3ccccc3sc-2cc1=O ZINC000003995788 346585466 /nfs/dbraw/zinc/58/54/66/346585466.db2.gz KGVTYHSCRSDENW-UHFFFAOYSA-N 0 0 228.276 2.344 50 5 BEBARN Cc1cccnc1CNc1ncccc1[N+](=O)[O-] ZINC000069740566 179385356 /nfs/dbraw/zinc/38/53/56/179385356.db2.gz QJBMRXDBXOAJPJ-UHFFFAOYSA-N 0 0 244.254 2.305 50 5 BEBARN Cc1ccn(CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000072209613 179410438 /nfs/dbraw/zinc/41/04/38/179410438.db2.gz SUTMITQIBFMDDE-UHFFFAOYSA-N 0 0 247.254 2.179 50 5 BEBARN O=[N+]([O-])c1ccc(Cn2cc(Cl)cn2)cc1 ZINC000000614334 348663101 /nfs/dbraw/zinc/66/31/01/348663101.db2.gz KQKCTGBPWUIGFS-UHFFFAOYSA-N 0 0 237.646 2.493 50 5 BEBARN Cc1ncc([N+](=O)[O-])n1Cc1ccccc1 ZINC000000794559 180175615 /nfs/dbraw/zinc/17/56/15/180175615.db2.gz VJESCIYRNWUDFT-UHFFFAOYSA-N 0 0 217.228 2.148 50 5 BEBARN CSCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000038064031 350302050 /nfs/dbraw/zinc/30/20/50/350302050.db2.gz GALWIKSQKZPBGJ-UHFFFAOYSA-N 0 0 211.242 2.141 50 5 BEBARN CC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000001705015 187583991 /nfs/dbraw/zinc/58/39/91/187583991.db2.gz FFKZZFYNPRVOMB-UHFFFAOYSA-N 0 0 213.620 2.380 50 5 BEBARN C[NH+](C)Cc1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000000174854 188272357 /nfs/dbraw/zinc/27/23/57/188272357.db2.gz PMTRDROSYRMMAD-UHFFFAOYSA-N 0 0 219.244 2.138 50 5 biogenic,in-vitro BEBARN Cc1nccn1-c1ccc([N+](=O)[O-])cc1 ZINC000004244870 188276908 /nfs/dbraw/zinc/27/69/08/188276908.db2.gz GSDHPOQTEXEBDN-UHFFFAOYSA-N 0 0 203.201 2.089 50 5 BEBARN Nc1ccc2c(c1)[nH]c1ccccc1c2=O ZINC000005117497 188277056 /nfs/dbraw/zinc/27/70/56/188277056.db2.gz BTHAAMLEAPQIGA-UHFFFAOYSA-N 0 0 210.236 2.264 50 5 BEBARN CC(=O)Nc1ccc2scnc2c1[N+](=O)[O-] ZINC000085436298 188299064 /nfs/dbraw/zinc/29/90/64/188299064.db2.gz DJHLTTYKRLLXKW-UHFFFAOYSA-N 0 0 237.240 2.163 50 5 BEBARN O=[N+]([O-])c1c(Br)nc2ccccn21 ZINC000089201577 188318137 /nfs/dbraw/zinc/31/81/37/188318137.db2.gz SQDPRJDCPOMMHF-UHFFFAOYSA-N 0 0 242.032 2.005 50 5 BEBARN O=[N+]([O-])c1cn(Cc2ccccc2Cl)cn1 ZINC000012741506 353419289 /nfs/dbraw/zinc/41/92/89/353419289.db2.gz JNQBOJIBEUCOEH-UHFFFAOYSA-N 0 0 237.646 2.493 50 5 BEBARN Nc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000002144609 363360566 /nfs/dbraw/zinc/36/05/66/363360566.db2.gz ZYBHVQKBRBVBRX-UHFFFAOYSA-N 0 0 207.016 2.484 50 5 BEBARN COC(=O)c1ccc(OC(C)C)c([N+](=O)[O-])c1 ZINC000035085127 355795900 /nfs/dbraw/zinc/79/59/00/355795900.db2.gz GKXIDJWRAQIHJP-UHFFFAOYSA-N 0 0 239.227 2.169 50 5 BEBARN Cc1c(C(=O)NCC2CC2)cccc1[N+](=O)[O-] ZINC000012907067 356576680 /nfs/dbraw/zinc/57/66/80/356576680.db2.gz DKUFYIGWWDOBDO-UHFFFAOYSA-N 0 0 234.255 2.043 50 5 BEBARN O=[N+]([O-])c1cnc(Cl)c(Br)c1 ZINC000001628308 357024511 /nfs/dbraw/zinc/02/45/11/357024511.db2.gz PTTQIUHVDDBART-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 BEBARN CCCCOc1cc([N+](=O)[O-])ccc1CO ZINC000001649068 357046338 /nfs/dbraw/zinc/04/63/38/357046338.db2.gz HKQVWBYEORFKRF-UHFFFAOYSA-N 0 0 225.244 2.266 50 5 BEBARN NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC000263624380 181301837 /nfs/dbraw/zinc/30/18/37/181301837.db2.gz PXLAQSGHAKAWDI-UHFFFAOYSA-N 0 0 235.026 2.001 50 5 BEBARN O=Cc1ccc(OCC(F)F)c([N+](=O)[O-])c1 ZINC000037756019 364584398 /nfs/dbraw/zinc/58/43/98/364584398.db2.gz SWFGHJHLHIJGPV-UHFFFAOYSA-N 0 0 231.154 2.051 50 5 BEBARN NC(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000204071396 368399413 /nfs/dbraw/zinc/39/94/13/368399413.db2.gz WQYZWCIXLRNABR-UHFFFAOYSA-N 0 0 235.026 2.001 50 5 BEBARN Nc1c2ccccc2c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004821710 181670968 /nfs/dbraw/zinc/67/09/68/181670968.db2.gz UNYLUEQYSSXEBR-UHFFFAOYSA-N 0 0 233.183 2.238 50 5 BEBARN Nc1cccc(C(F)(F)F)c1[N+](=O)[O-] ZINC000004366124 181742466 /nfs/dbraw/zinc/74/24/66/181742466.db2.gz ZLWSMUKHEYFHAB-UHFFFAOYSA-N 0 0 206.123 2.196 50 5 BEBARN Nc1ccc([C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000021951245 371507619 /nfs/dbraw/zinc/50/76/19/371507619.db2.gz GBDIHFMPEGTCBK-ZDUSSCGKSA-N 0 0 244.250 2.259 50 5 BEBARN O=[N+]([O-])c1ccc(-n2cc[nH]c2=S)cc1 ZINC000002528147 371569103 /nfs/dbraw/zinc/56/91/03/371569103.db2.gz NAHKZPQOMYCQIE-UHFFFAOYSA-N 0 0 221.241 2.443 50 5 BEBARN O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000033916326 181848915 /nfs/dbraw/zinc/84/89/15/181848915.db2.gz PNYIMHVLTKZLCN-SREVYHEPSA-N 0 0 246.266 2.230 50 5 BEBARN Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000003860353 372078854 /nfs/dbraw/zinc/07/88/54/372078854.db2.gz BIXZHMJUSMUDOQ-UHFFFAOYSA-N 0 0 207.016 2.484 50 5 in-vitro BEBARN Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000003860184 372079211 /nfs/dbraw/zinc/07/92/11/372079211.db2.gz ATXBGHLILIABGX-UHFFFAOYSA-N 0 0 206.123 2.196 50 5 BEBARN COC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004156389 372153189 /nfs/dbraw/zinc/15/31/89/372153189.db2.gz VGDOILYESSXJLN-UHFFFAOYSA-N 0 0 230.607 2.427 50 5 BEBARN CC1(C)Sc2ccc([N+](=O)[O-])cc2NC1=O ZINC000004051328 372124566 /nfs/dbraw/zinc/12/45/66/372124566.db2.gz JGKPDJFYHWQMSQ-UHFFFAOYSA-N 0 0 238.268 2.418 50 5 BEBARN Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1 ZINC000004059175 372125075 /nfs/dbraw/zinc/12/50/75/372125075.db2.gz NHDCKELICOIXSW-UHFFFAOYSA-N 0 0 227.270 2.362 50 5 BEBARN Nc1cc(N2CCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000004052867 372125591 /nfs/dbraw/zinc/12/55/91/372125591.db2.gz LNMLENQCZLQTDO-UHFFFAOYSA-N 0 0 241.678 2.431 50 5 BEBARN Nc1ccc(-c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000004314280 372201380 /nfs/dbraw/zinc/20/13/80/372201380.db2.gz OESUYYFUIPUBIV-UHFFFAOYSA-N 0 0 229.239 2.426 50 5 BEBARN O=C(NC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000000101884 182111222 /nfs/dbraw/zinc/11/12/22/182111222.db2.gz ZXDSCJWKPHJDKF-UHFFFAOYSA-N 0 0 234.255 2.267 50 5 BEBARN O=C(NC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000101935 182111816 /nfs/dbraw/zinc/11/18/16/182111816.db2.gz VXQCTWJVIDLLNJ-UHFFFAOYSA-N 0 0 234.255 2.267 50 5 BEBARN O=C(Nc1nccs1)c1ccccc1[N+](=O)[O-] ZINC000000031352 182401828 /nfs/dbraw/zinc/40/18/28/182401828.db2.gz WJDNQCITOMEIGG-UHFFFAOYSA-N 0 0 249.251 2.304 50 5 BEBARN O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001540301 182932484 /nfs/dbraw/zinc/93/24/84/182932484.db2.gz VYZAHLCBVHPDDF-UHFFFAOYSA-N 0 0 202.553 2.156 50 5 investigational,metabolite BEBARN O=c1ccn(C/C(Cl)=C/Cl)cc1[N+](=O)[O-] ZINC000130781670 183003730 /nfs/dbraw/zinc/00/37/30/183003730.db2.gz UBEKVWOHGFEHBX-UTCJRWHESA-N 0 0 249.053 2.076 50 5 BEBARN O=c1ccoc2c(Cl)ccc([N+](=O)[O-])c12 ZINC000000381743 183006596 /nfs/dbraw/zinc/00/65/96/183006596.db2.gz DMGBMLWYQJCFDG-UHFFFAOYSA-N 0 0 225.587 2.355 50 5 BEBARN CCC[C@@H](O)CNc1cccc(F)c1[N+](=O)[O-] ZINC000071900407 169411479 /nfs/dbraw/zinc/41/14/79/169411479.db2.gz VNGKVFQJAODYKS-MRVPVSSYSA-N 0 0 242.250 2.307 50 5 BEBARN O=Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000090668840 384068677 /nfs/dbraw/zinc/06/86/77/384068677.db2.gz URVBLBRJDUDNKP-UHFFFAOYSA-N 0 0 219.118 2.426 50 5 BEBARN O=c1c2ccccc2[nH]c2nc3ccccc3n21 ZINC000100968834 384122085 /nfs/dbraw/zinc/12/20/85/384122085.db2.gz ZNJPVCCDFJKUBS-UHFFFAOYSA-N 0 0 235.246 2.329 50 5 BEBARN CC(=O)c1ccc(N(C)CCF)c([N+](=O)[O-])c1 ZINC000408524718 384290947 /nfs/dbraw/zinc/29/09/47/384290947.db2.gz YFZDINRTGLXLQR-UHFFFAOYSA-N 0 0 240.234 2.203 50 5 BEBARN O=Cc1ccc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000261493645 384330974 /nfs/dbraw/zinc/33/09/74/384330974.db2.gz GMDAHTTYCPZBOH-UHFFFAOYSA-N 0 0 235.117 2.306 50 5 BEBARN COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000056539 384446027 /nfs/dbraw/zinc/44/60/27/384446027.db2.gz JWOSXVMUUBWGOL-UHFFFAOYSA-N 0 0 215.592 2.035 50 5 BEBARN Nc1ccc([N+](=O)[O-])cc1OC(F)(F)F ZINC000082046506 384645337 /nfs/dbraw/zinc/64/53/37/384645337.db2.gz FFDBXRVBNGKCDQ-UHFFFAOYSA-N 0 0 222.122 2.076 50 5 BEBARN CC(C)(C1CCC(C)([N+](=O)[O-])CC1)[N+](=O)[O-] ZINC000071778234 384690571 /nfs/dbraw/zinc/69/05/71/384690571.db2.gz LYCLFSQGNXXOON-UHFFFAOYSA-N 0 0 230.264 2.267 50 5 BEBARN O=[N+]([O-])c1ccc(F)c(F)c1NC1CC1 ZINC000053162682 384765656 /nfs/dbraw/zinc/76/56/56/384765656.db2.gz ZJCMNSWNFKRDHG-UHFFFAOYSA-N 0 0 214.171 2.447 50 5 BEBARN CC(C)n1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000095495681 384932033 /nfs/dbraw/zinc/93/20/33/384932033.db2.gz PCJXQVJIUFVRTH-UHFFFAOYSA-N 0 0 222.200 2.084 50 5 BEBARN CCOc1cc(F)cc([N+](=O)[O-])c1F ZINC000263623091 385008701 /nfs/dbraw/zinc/00/87/01/385008701.db2.gz DNRIPAVIXQMREV-UHFFFAOYSA-N 0 0 203.144 2.272 50 5 BEBARN CO[C@H](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000272745356 385324792 /nfs/dbraw/zinc/32/47/92/385324792.db2.gz JEAUJSZYDHPBLC-MRVPVSSYSA-N 0 0 249.270 2.288 50 5 BEBARN CCCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001599296 387035682 /nfs/dbraw/zinc/03/56/82/387035682.db2.gz PLKPLRMLCSBJKV-UHFFFAOYSA-N 0 0 222.244 2.125 50 5 BEBARN Nc1c(Br)c(F)ccc1[N+](=O)[O-] ZINC000063767587 387520189 /nfs/dbraw/zinc/52/01/89/387520189.db2.gz WSVLWVONLAQTJC-UHFFFAOYSA-N 0 0 235.012 2.079 50 5 BEBARN C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1CC1 ZINC000071799872 388113943 /nfs/dbraw/zinc/11/39/43/388113943.db2.gz PDEJYRXQSOIYTM-MRVPVSSYSA-N 0 0 246.266 2.282 50 5 BEBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)C(C)(C)O ZINC000058161862 388377068 /nfs/dbraw/zinc/37/70/68/388377068.db2.gz QXAVVKIRERZGIL-SSDOTTSWSA-N 0 0 242.250 2.305 50 5 BEBARN O=Cc1cccc(Br)c1[N+](=O)[O-] ZINC000059378678 388395168 /nfs/dbraw/zinc/39/51/68/388395168.db2.gz DAZQBQQNIUAQAV-UHFFFAOYSA-N 0 0 230.017 2.170 50 5 BEBARN COC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000004277473 388397593 /nfs/dbraw/zinc/39/75/93/388397593.db2.gz BULMXSINASASPJ-UHFFFAOYSA-N 0 0 227.241 2.103 50 5 BEBARN O=Cc1c([N+](=O)[O-])cccc1N1CCCC1 ZINC000095081120 388757435 /nfs/dbraw/zinc/75/74/35/388757435.db2.gz OAASBENWPCCJOU-UHFFFAOYSA-N 0 0 220.228 2.008 50 5 BEBARN Cc1cnc(OCc2ccccn2)c([N+](=O)[O-])c1 ZINC000079021329 388743165 /nfs/dbraw/zinc/74/31/65/388743165.db2.gz WIMVGOFRKQHYKL-UHFFFAOYSA-N 0 0 245.238 2.272 50 5 BEBARN O=[N+]([O-])c1cccc(-c2nc(CO)cs2)c1 ZINC000082086236 388723588 /nfs/dbraw/zinc/72/35/88/388723588.db2.gz QAOQIVNGNVBXJI-UHFFFAOYSA-N 0 0 236.252 2.211 50 5 BEBARN CCOCCSc1ccc([N+](=O)[O-])cn1 ZINC000095404371 388765692 /nfs/dbraw/zinc/76/56/92/388765692.db2.gz BEECPMRWTPGWBT-UHFFFAOYSA-N 0 0 228.273 2.118 50 5 BEBARN O=[N+]([O-])c1ccnc(Br)c1Cl ZINC000095931490 388789744 /nfs/dbraw/zinc/78/97/44/388789744.db2.gz ISDWIGKURABZNN-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 BEBARN Nc1c(F)c(F)c(Cl)cc1[N+](=O)[O-] ZINC000095932343 388791287 /nfs/dbraw/zinc/79/12/87/388791287.db2.gz MNNHSXLQLJDKAV-UHFFFAOYSA-N 0 0 208.551 2.109 50 5 BEBARN O=Cc1cc2cccc([N+](=O)[O-])c2cc1C=O ZINC000002519747 388840727 /nfs/dbraw/zinc/84/07/27/388840727.db2.gz QPGMESNZJCVKOW-UHFFFAOYSA-N 0 0 229.191 2.373 50 5 BEBARN O=[N+]([O-])c1cccc(Cl)c1N1CCOCC1 ZINC000004183095 132316037 /nfs/dbraw/zinc/31/60/37/132316037.db2.gz JOFVWYPOMFXUCI-UHFFFAOYSA-N 0 0 242.662 2.085 50 5 BEBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCOCC1 ZINC000004004488 132316161 /nfs/dbraw/zinc/31/61/61/132316161.db2.gz KJISHWYSNGQNFM-UHFFFAOYSA-N 0 0 242.662 2.085 50 5 BEBARN Cc1cc([N+](=O)[O-])cc(C)c1N1CCOCC1 ZINC000004306589 132316437 /nfs/dbraw/zinc/31/64/37/132316437.db2.gz LDAMDVQFCSQOLD-UHFFFAOYSA-N 0 0 236.271 2.048 50 5 BEBARN O=[N+]([O-])c1ccc(N2CCCCC2)c(CO)c1 ZINC000004336138 132316540 /nfs/dbraw/zinc/31/65/40/132316540.db2.gz HPJSQHAKICNAIY-UHFFFAOYSA-N 0 0 236.271 2.077 50 5 BEBARN Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1N ZINC000004674085 132316629 /nfs/dbraw/zinc/31/66/29/132316629.db2.gz NAMUANIERWLHLU-UHFFFAOYSA-N 0 0 235.287 2.476 50 5 BEBARN C[C@@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000005637790 132317607 /nfs/dbraw/zinc/31/76/07/132317607.db2.gz POMUPJOEFRLELI-NXEZZACHSA-N 0 0 235.287 2.472 50 5 BEBARN COC(=O)/C=C/c1ccc(C)c([N+](=O)[O-])c1 ZINC000040544627 398028692 /nfs/dbraw/zinc/02/86/92/398028692.db2.gz CHYUPTPUZSWQEC-AATRIKPKSA-N 0 0 221.212 2.089 50 5 BEBARN CCN(CC)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000003193298 169751978 /nfs/dbraw/zinc/75/19/78/169751978.db2.gz GDKVFFXDYCFHIA-UHFFFAOYSA-N 0 0 236.271 2.006 50 5 BEBARN CC(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000288729 167087678 /nfs/dbraw/zinc/08/76/78/167087678.db2.gz FWPGOKYUKXPASZ-UHFFFAOYSA-N 0 0 242.662 2.386 50 5 BEBARN CC(C)Nc1ccc([N+](=O)[O-])c(N)c1N=O ZINC000004733018 167147751 /nfs/dbraw/zinc/14/77/51/167147751.db2.gz BYNDXTRGXSOQHT-UHFFFAOYSA-N 0 0 224.220 2.395 50 5 BEBARN CC(C)[C@@H](CCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000076061342 167393033 /nfs/dbraw/zinc/39/30/33/167393033.db2.gz IDGJQCITPRJBEY-GFCCVEGCSA-N 0 0 238.287 2.414 50 5 BEBARN CC1=Nc2cccc([N+](=O)[O-])c2NC(=O)C1 ZINC000100088481 168138119 /nfs/dbraw/zinc/13/81/19/168138119.db2.gz QXJIZBSAEXMJRQ-UHFFFAOYSA-N 0 0 219.200 2.029 50 5 BEBARN CCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000004793944 168244348 /nfs/dbraw/zinc/24/43/48/168244348.db2.gz VKCKFUNGEWCDIH-UHFFFAOYSA-N 0 0 208.217 2.252 50 5 BEBARN CCNc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000053162699 170171489 /nfs/dbraw/zinc/17/14/89/170171489.db2.gz OQZJPLHCMMMQOV-UHFFFAOYSA-N 0 0 202.160 2.305 50 5 BEBARN CCOC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004256452 170243742 /nfs/dbraw/zinc/24/37/42/170243742.db2.gz SBPHMRSYBPXBIP-UHFFFAOYSA-N 0 0 210.189 2.163 50 5 BEBARN CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000000153779 170293876 /nfs/dbraw/zinc/29/38/76/170293876.db2.gz DVFJMQCNICEPAI-UHFFFAOYSA-N 0 0 234.211 2.253 50 5 BEBARN CCOCCSc1cc(C)c([N+](=O)[O-])cn1 ZINC000074769061 170424762 /nfs/dbraw/zinc/42/47/62/170424762.db2.gz AXAYZPJZOJTSQV-UHFFFAOYSA-N 0 0 242.300 2.427 50 5 BEBARN O=[N+]([O-])c1ccc(N2CCC(F)(F)CC2)nc1 ZINC000117705168 411580482 /nfs/dbraw/zinc/58/04/82/411580482.db2.gz PAQPCEZFWFOVPC-UHFFFAOYSA-N 0 0 243.213 2.225 50 5 BEBARN CCOc1c(F)ccc([N+](=O)[O-])c1F ZINC000261494290 170514960 /nfs/dbraw/zinc/51/49/60/170514960.db2.gz UHKGLBMIZCMSKJ-UHFFFAOYSA-N 0 0 203.144 2.272 50 5 BEBARN CC[C@@](C)(c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000003080660 171193029 /nfs/dbraw/zinc/19/30/29/171193029.db2.gz MWQJVIRWOXBIOC-JTQLQIEISA-N 0 0 224.216 2.497 50 5 BEBARN CN(C)/C=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000052530532 172350515 /nfs/dbraw/zinc/35/05/15/172350515.db2.gz MHIRUPHZSNZDCI-AATRIKPKSA-N 0 0 237.215 2.035 50 5 BEBARN CN(C)/C=C/c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000071775454 172351344 /nfs/dbraw/zinc/35/13/44/172351344.db2.gz FTGPISCZYQYHPV-VOTSOKGWSA-N 0 0 237.215 2.035 50 5 BEBARN COCCOc1cc([N+](=O)[O-])ccc1Cl ZINC000086453389 174367528 /nfs/dbraw/zinc/36/75/28/174367528.db2.gz MXHHZWZRZRTDAN-UHFFFAOYSA-N 0 0 231.635 2.273 50 5 BEBARN COc1ccc(F)c([N+](=O)[O-])c1Cl ZINC000261493588 175126647 /nfs/dbraw/zinc/12/66/47/175126647.db2.gz FHQMXSFAYPUONL-UHFFFAOYSA-N 0 0 205.572 2.396 50 5 BEBARN COc1ccc2c(c1[N+](=O)[O-])CCCC2=O ZINC000039386055 175223046 /nfs/dbraw/zinc/22/30/46/175223046.db2.gz KVJWCFCHDPZOQF-UHFFFAOYSA-N 0 0 221.212 2.122 50 5 BEBARN COc1ccc2nc3ccccc3nc2c1N ZINC000003886442 175229721 /nfs/dbraw/zinc/22/97/21/175229721.db2.gz NXMHFOGBPMFZHN-UHFFFAOYSA-N 0 0 225.251 2.374 50 5 BEBARN COc1ccc2nc3ccccc3[n+]([O-])c2c1 ZINC000004692634 175230244 /nfs/dbraw/zinc/23/02/44/175230244.db2.gz RVYOZHBVNUKELQ-UHFFFAOYSA-N 0 0 226.235 2.030 50 5 BEBARN C[C@@H]1Oc2ccc([N+](=O)[O-])cc2O[C@@H](C)O1 ZINC000000345573 176487425 /nfs/dbraw/zinc/48/74/25/176487425.db2.gz NQNONZOFJVHECQ-BQBZGAKWSA-N 0 0 225.200 2.075 50 5 BEBARN C[C@H](CO)CSc1ccccc1[N+](=O)[O-] ZINC000075148754 176695761 /nfs/dbraw/zinc/69/57/61/176695761.db2.gz OATCAYJTTMZARO-MRVPVSSYSA-N 0 0 227.285 2.315 50 5 BEBARN O=C(c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000001845852 566438383 /nfs/dbraw/zinc/43/83/83/566438383.db2.gz QADCNGZPRUSTJL-UHFFFAOYSA-N 0 0 219.118 2.340 50 5 BEBARN CC(=O)Nc1c(C)c(C)ccc1[N+](=O)[O-] ZINC000004829539 259301787 /nfs/dbraw/zinc/30/17/87/259301787.db2.gz CZLTXJVPEMCPLP-UHFFFAOYSA-N 0 0 208.217 2.170 50 5 BEBARN Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C)C1 ZINC000078714171 178274050 /nfs/dbraw/zinc/27/40/50/178274050.db2.gz KPASYOJINIGUKQ-MRVPVSSYSA-N 0 0 221.260 2.144 50 5 BEBARN Cc1cc([N+](=O)[O-])c(N2CCCC2)cc1N ZINC000004104313 178269718 /nfs/dbraw/zinc/26/97/18/178269718.db2.gz FEBLWQMPDLWAAM-UHFFFAOYSA-N 0 0 221.260 2.086 50 5 BEBARN O=c1c2cccnc2oc2ccc([N+](=O)[O-])cc12 ZINC000000167512 342678967 /nfs/dbraw/zinc/67/89/67/342678967.db2.gz PPMVISOQNOLGFY-UHFFFAOYSA-N 0 0 242.190 2.249 50 5 BEBARN O=[N+]([O-])c1ccc(CNc2cnns2)cc1 ZINC000002532445 342722928 /nfs/dbraw/zinc/72/29/28/342722928.db2.gz JUAYBIQFDKJUFD-UHFFFAOYSA-N 0 0 236.256 2.058 50 5 BEBARN O=C1CCc2c1cc1c(c2[N+](=O)[O-])CCC1 ZINC000034590891 342726185 /nfs/dbraw/zinc/72/61/85/342726185.db2.gz IZLJNKUQAFQERG-UHFFFAOYSA-N 0 0 217.224 2.212 50 5 BEBARN Nc1ccc2oc3ccc(N)cc3c(=O)c2c1 ZINC000003864882 342738399 /nfs/dbraw/zinc/73/83/99/342738399.db2.gz ATLPNNQYMFUNKY-UHFFFAOYSA-N 0 0 226.235 2.111 50 5 BEBARN Cc1n[nH]cc1Nc1ncc(C)cc1[N+](=O)[O-] ZINC000096429831 398318220 /nfs/dbraw/zinc/31/82/20/398318220.db2.gz SVXFAIZZWVIPBM-UHFFFAOYSA-N 0 0 233.231 2.073 50 5 BEBARN CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000016124264 342906553 /nfs/dbraw/zinc/90/65/53/342906553.db2.gz XQDUACRLXPWNLD-UHFFFAOYSA-N 0 0 246.064 2.184 50 5 BEBARN Nc1c(F)c(Cl)c(F)cc1[N+](=O)[O-] ZINC000016158749 342907278 /nfs/dbraw/zinc/90/72/78/342907278.db2.gz LXZZOYWXUAYAKR-UHFFFAOYSA-N 0 0 208.551 2.109 50 5 BEBARN O=[N+]([O-])c1cnn(CCc2ccccc2)c1 ZINC000071978632 398327434 /nfs/dbraw/zinc/32/74/34/398327434.db2.gz PQVATOIJLDLEIE-UHFFFAOYSA-N 0 0 217.228 2.034 50 5 BEBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000000366443 398333643 /nfs/dbraw/zinc/33/36/43/398333643.db2.gz PONWMALXGJIZEP-UHFFFAOYSA-N 0 0 234.255 2.221 50 5 BEBARN O=[N+]([O-])c1ccc(NCc2ccc(O)cc2)nc1 ZINC000034546985 346909865 /nfs/dbraw/zinc/90/98/65/346909865.db2.gz VTLVBVWHCUGQCD-UHFFFAOYSA-N 0 0 245.238 2.308 50 5 BEBARN Cc1ncc(Br)cc1[N+](=O)[O-] ZINC000021303269 343009258 /nfs/dbraw/zinc/00/92/58/343009258.db2.gz FZZLWWNOYMHSIS-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 BEBARN O=[N+]([O-])c1cccnc1N(CC(F)F)C1CC1 ZINC000072281924 343134549 /nfs/dbraw/zinc/13/45/49/343134549.db2.gz LXUCZBWLMXGWBY-UHFFFAOYSA-N 0 0 243.213 2.224 50 5 BEBARN O=[N+]([O-])c1c2nsnc2ccc1Cl ZINC000001736330 187245682 /nfs/dbraw/zinc/24/56/82/187245682.db2.gz MSDMEVQEACHYNS-UHFFFAOYSA-N 0 0 215.621 2.253 50 5 BEBARN Cc1nn(Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000000055325 187244604 /nfs/dbraw/zinc/24/46/04/187244604.db2.gz MYVFMBDPEXBOSC-UHFFFAOYSA-N 0 0 231.255 2.456 50 5 BEBARN CC(=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000002386183 187245402 /nfs/dbraw/zinc/24/54/02/187245402.db2.gz AMDVRMUSPZTKEV-UHFFFAOYSA-N 0 0 213.620 2.380 50 5 BEBARN O=[N+]([O-])c1ccc(Cc2ncccc2O)cc1 ZINC000015686582 343268064 /nfs/dbraw/zinc/26/80/64/343268064.db2.gz ZHMHDAMNINCNBW-UHFFFAOYSA-N 0 0 230.223 2.286 50 5 BEBARN O=C(c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000004619629 343614316 /nfs/dbraw/zinc/61/43/16/343614316.db2.gz NRWQXMJAOUMLEO-UHFFFAOYSA-N 0 0 228.207 2.221 50 5 biogenic,in-vitro BEBARN Cc1c(NC(=O)C2CC2)cccc1[N+](=O)[O-] ZINC000000045874 344060743 /nfs/dbraw/zinc/06/07/43/344060743.db2.gz FRNWTNZKBHDKLP-UHFFFAOYSA-N 0 0 220.228 2.252 50 5 BEBARN O=[N+]([O-])c1ccc(SCc2ccon2)nc1 ZINC000096180982 187289113 /nfs/dbraw/zinc/28/91/13/187289113.db2.gz WLBALFDKUKDQOP-UHFFFAOYSA-N 0 0 237.240 2.270 50 5 BEBARN O=[N+]([O-])c1ccccc1Oc1ccc[n+]([O-])c1 ZINC000044126229 344397556 /nfs/dbraw/zinc/39/75/56/344397556.db2.gz ODHURQQWFVTBGZ-UHFFFAOYSA-N 0 0 232.195 2.021 50 5 BEBARN O=C1CCCC[C@@H]1[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000000225046 344648307 /nfs/dbraw/zinc/64/83/07/344648307.db2.gz LWDGESCTOIIBJJ-AAEUAGOBSA-N 0 0 249.266 2.388 50 5 BEBARN Cc1c(Br)ccc([N+](=O)[O-])c1C=O ZINC000165393713 187302927 /nfs/dbraw/zinc/30/29/27/187302927.db2.gz LMQABMOFTGCXHW-UHFFFAOYSA-N 0 0 244.044 2.478 50 5 BEBARN CC(C)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005384283 346204624 /nfs/dbraw/zinc/20/46/24/346204624.db2.gz NQWRZTMIRWZVPP-VOTSOKGWSA-N 0 0 248.282 2.380 50 5 BEBARN CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1F ZINC000034090390 346196162 /nfs/dbraw/zinc/19/61/62/346196162.db2.gz QXPWQNJSUGIFPM-UHFFFAOYSA-N 0 0 232.598 2.346 50 5 BEBARN O=c1cc(O)c2c(O)c3ccccc3[nH]c-2c1 ZINC000005594105 346269523 /nfs/dbraw/zinc/26/95/23/346269523.db2.gz RWJOWUMRFOUHTR-UHFFFAOYSA-N 0 0 227.219 2.093 50 5 BEBARN CCOc1cc(/C=C/[N+](=O)[O-])ccc1OC ZINC000001410999 346444108 /nfs/dbraw/zinc/44/41/08/346444108.db2.gz KPZCGJDLINXKFN-VOTSOKGWSA-N 0 0 223.228 2.341 50 5 BEBARN Cn1c(Cl)nc2cc([N+](=O)[O-])ccc21 ZINC000034503247 346555408 /nfs/dbraw/zinc/55/54/08/346555408.db2.gz QNYFEUMEQHKASR-UHFFFAOYSA-N 0 0 211.608 2.135 50 5 BEBARN Cc1ccn(Cc2ccc([N+](=O)[O-])cc2)c(=O)c1 ZINC000069974695 179410865 /nfs/dbraw/zinc/41/08/65/179410865.db2.gz VBSXSVZUDIJDGG-UHFFFAOYSA-N 0 0 244.250 2.113 50 5 BEBARN O=[N+]([O-])c1cccc(Cn2cc(Cl)cn2)c1 ZINC000000614342 348664353 /nfs/dbraw/zinc/66/43/53/348664353.db2.gz LGBXQFPKDVMYFE-UHFFFAOYSA-N 0 0 237.646 2.493 50 5 BEBARN Cc1[nH]nc(N2CCCCCC2)c1[N+](=O)[O-] ZINC000004060231 179836147 /nfs/dbraw/zinc/83/61/47/179836147.db2.gz BBIOAJZRRCXVOY-UHFFFAOYSA-N 0 0 224.264 2.007 50 5 BEBARN Cc1nc(NC(=O)C2CC=CC2)ccc1[N+](=O)[O-] ZINC000133992149 180005323 /nfs/dbraw/zinc/00/53/23/180005323.db2.gz PBAGYARWRZFFCQ-UHFFFAOYSA-N 0 0 247.254 2.203 50 5 BEBARN Cc1nc(NC(=O)c2ccco2)ccc1[N+](=O)[O-] ZINC000084028815 180013384 /nfs/dbraw/zinc/01/33/84/180013384.db2.gz DKILKEOIQVIIJH-UHFFFAOYSA-N 0 0 247.210 2.144 50 5 BEBARN Cc1nc2cc3ccccc3cc2c(=O)[nH]1 ZINC000008677515 180087393 /nfs/dbraw/zinc/08/73/93/180087393.db2.gz CYCCTYUWQCTYGY-UHFFFAOYSA-N 0 0 210.236 2.385 50 5 aggregator BEBARN Cc1nc2c(ccc(N)c2[N+](=O)[O-])s1 ZINC000004255810 180069121 /nfs/dbraw/zinc/06/91/21/180069121.db2.gz ZPEZOKCEBQVVDN-UHFFFAOYSA-N 0 0 209.230 2.095 50 5 BEBARN O=[N+]([O-])c1cc(Br)cc2n[nH]cc21 ZINC000014983000 350225660 /nfs/dbraw/zinc/22/56/60/350225660.db2.gz AHEMYGJJCOXPSP-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN COC(=O)Oc1c(C)cccc1[N+](=O)[O-] ZINC000025539335 350253988 /nfs/dbraw/zinc/25/39/88/350253988.db2.gz DKNUUVMXUFWELE-UHFFFAOYSA-N 0 0 211.173 2.048 50 5 BEBARN Cc1cnn(-c2ccccc2[N+](=O)[O-])c1 ZINC000012397970 350459329 /nfs/dbraw/zinc/45/93/29/350459329.db2.gz QWDVRUZPHGNQGI-UHFFFAOYSA-N 0 0 203.201 2.089 50 5 BEBARN Cc1noc(/C=C/c2cccnc2)c1[N+](=O)[O-] ZINC000004709234 180460320 /nfs/dbraw/zinc/46/03/20/180460320.db2.gz SRWLVUSPLVSADH-SNAWJCMRSA-N 0 0 231.211 2.457 50 5 BEBARN CCOC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000001081080 351004267 /nfs/dbraw/zinc/00/42/67/351004267.db2.gz PFBQVGXIMLXCQB-VMPITWQZSA-N 0 0 221.212 2.171 50 5 BEBARN Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000003860989 351351257 /nfs/dbraw/zinc/35/12/57/351351257.db2.gz IZEZAMILKKYOPW-UHFFFAOYSA-N 0 0 207.016 2.484 50 5 BEBARN Cc1cc(Br)c(N)cc1[N+](=O)[O-] ZINC000019938767 187589836 /nfs/dbraw/zinc/58/98/36/187589836.db2.gz MZYLMACPWDPBQN-UHFFFAOYSA-N 0 0 231.049 2.248 50 5 BEBARN O=C1CC(=O)CC(c2ccccc2[N+](=O)[O-])C1 ZINC000040448143 187601274 /nfs/dbraw/zinc/60/12/74/187601274.db2.gz YBDZTIWXOFETFR-UHFFFAOYSA-N 0 0 233.223 2.001 50 5 BEBARN Cn1cnc([N+](=O)[O-])c1Oc1ccccc1 ZINC000000033508 180774095 /nfs/dbraw/zinc/77/40/95/180774095.db2.gz VMLJJTZTMKBFPE-UHFFFAOYSA-N 0 0 219.200 2.121 50 5 BEBARN CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000003852529 188276040 /nfs/dbraw/zinc/27/60/40/188276040.db2.gz QWDUNBOWGVRUCG-UHFFFAOYSA-N 0 0 214.608 2.207 50 5 BEBARN CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1C ZINC000004894306 188276429 /nfs/dbraw/zinc/27/64/29/188276429.db2.gz OLUQCHSXHDYOTM-UHFFFAOYSA-N 0 0 208.217 2.170 50 5 BEBARN C/C(=C\c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000004706022 188276457 /nfs/dbraw/zinc/27/64/57/188276457.db2.gz KSKLHQQKAFMWSA-VOTSOKGWSA-N 0 0 208.173 2.232 50 5 BEBARN O=[N+]([O-])c1cc2nc[nH]c2c(Br)c1 ZINC000067802419 188304683 /nfs/dbraw/zinc/30/46/83/188304683.db2.gz QVLQTTFTEFTUJE-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN Cn1c2ccccc2nc2c(=O)cccc1-2 ZINC000003873998 358222933 /nfs/dbraw/zinc/22/29/33/358222933.db2.gz YNCMLFHHXWETLD-UHFFFAOYSA-N 0 0 210.236 2.038 50 5 in-vitro BEBARN CCCCC(CC)(C[N+](=O)[O-])C[N+](=O)[O-] ZINC000001751887 358428476 /nfs/dbraw/zinc/42/84/76/358428476.db2.gz YCIGETIALZRRDG-UHFFFAOYSA-N 0 0 218.253 2.126 50 5 BEBARN Cc1[nH]nc(NC2CCCCC2)c1[N+](=O)[O-] ZINC000016677491 360419879 /nfs/dbraw/zinc/41/98/79/360419879.db2.gz NUFOTDFIBHQZDO-UHFFFAOYSA-N 0 0 224.264 2.371 50 5 BEBARN CN(c1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000007124608 361386885 /nfs/dbraw/zinc/38/68/85/361386885.db2.gz XYQFWIATLANZNJ-UHFFFAOYSA-N 0 0 238.291 2.097 50 5 BEBARN C[C@H](CCC(=O)c1ccccc1)[N+](=O)[O-] ZINC000002173697 363849596 /nfs/dbraw/zinc/84/95/96/363849596.db2.gz IEEUIPIRQIGXIT-SECBINFHSA-N 0 0 207.229 2.315 50 5 BEBARN Cc1oncc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012946101 370988529 /nfs/dbraw/zinc/98/85/29/370988529.db2.gz KXPAHNHHCVICGF-UHFFFAOYSA-N 0 0 247.210 2.144 50 5 BEBARN Nc1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000082046449 181676056 /nfs/dbraw/zinc/67/60/56/181676056.db2.gz CRBGRCCXVAWOCO-UHFFFAOYSA-N 0 0 235.012 2.079 50 5 BEBARN Nc1ccc([C@H]2CCCCC2=O)c([N+](=O)[O-])c1 ZINC000003051858 371856989 /nfs/dbraw/zinc/85/69/89/371856989.db2.gz QZHKTEYWYFODAD-SNVBAGLBSA-N 0 0 234.255 2.404 50 5 BEBARN Cc1ccc(NC(=O)C(C)C)c([N+](=O)[O-])c1 ZINC000004286111 372194806 /nfs/dbraw/zinc/19/48/06/372194806.db2.gz PKWUHSWNWGSPPG-UHFFFAOYSA-N 0 0 222.244 2.498 50 5 BEBARN Cc1nc(Br)ccc1[N+](=O)[O-] ZINC000008698264 372848734 /nfs/dbraw/zinc/84/87/34/372848734.db2.gz PCNVKBBKROTUNS-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 in-vitro BEBARN O=[N+]([O-])c1ccc2ncc(Br)n2c1 ZINC000040564719 373506073 /nfs/dbraw/zinc/50/60/73/373506073.db2.gz LEZQAJJLSXPPRZ-UHFFFAOYSA-N 0 0 242.032 2.005 50 5 BEBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1cccs1 ZINC000004045914 182362812 /nfs/dbraw/zinc/36/28/12/182362812.db2.gz MSYGPNNGKNUROM-UHFFFAOYSA-N 0 0 249.251 2.304 50 5 BEBARN O=C(Nc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000001514468 182383267 /nfs/dbraw/zinc/38/32/67/182383267.db2.gz OSCGFJLUUDMUFI-UHFFFAOYSA-N 0 0 243.222 2.242 50 5 BEBARN O=C(c1ccc([N+](=O)[O-])o1)c1ccccc1 ZINC000019926654 182677983 /nfs/dbraw/zinc/67/79/83/182677983.db2.gz SYULBZSCIJXUSG-UHFFFAOYSA-N 0 0 217.180 2.419 50 5 BEBARN O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2o1 ZINC000001681253 182926353 /nfs/dbraw/zinc/92/63/53/182926353.db2.gz UXRRICZTIWOWDF-UHFFFAOYSA-N 0 0 214.564 2.095 50 5 BEBARN O=[N+]([O-])c1cccc(-c2cn3cccnc3n2)c1 ZINC000001386148 182942231 /nfs/dbraw/zinc/94/22/31/182942231.db2.gz ANQVNBDLIKNGOQ-UHFFFAOYSA-N 0 0 240.222 2.305 50 5 BEBARN CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002164772 169240196 /nfs/dbraw/zinc/24/01/96/169240196.db2.gz XGGLPIKVFKTQJB-UHFFFAOYSA-N 0 0 223.232 2.126 50 5 BEBARN CCCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000002172198 169240325 /nfs/dbraw/zinc/24/03/25/169240325.db2.gz IKVRTKOYUAXVJG-UHFFFAOYSA-N 0 0 237.259 2.435 50 5 BEBARN Cc1occc1C(=O)Nc1ccc([N+](=O)[O-])cn1 ZINC000004881568 384187750 /nfs/dbraw/zinc/18/77/50/384187750.db2.gz BUVFVGRENLDRDK-UHFFFAOYSA-N 0 0 247.210 2.144 50 5 BEBARN COC(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 ZINC000004347638 384325220 /nfs/dbraw/zinc/32/52/20/384325220.db2.gz KDBFIMHBQVKQTJ-UHFFFAOYSA-N 0 0 238.243 2.202 50 5 BEBARN COC(=O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000047202459 384443638 /nfs/dbraw/zinc/44/36/38/384443638.db2.gz WLCQMMCPINDPIB-UHFFFAOYSA-N 0 0 249.144 2.400 50 5 BEBARN COC(=O)/C=C/c1cc(Cl)sc1[N+](=O)[O-] ZINC000017111241 384482483 /nfs/dbraw/zinc/48/24/83/384482483.db2.gz PPCGVOWUCDRSQB-NSCUHMNNSA-N 0 0 247.659 2.496 50 5 BEBARN Cc1cc(C(=O)Nc2ccccc2[N+](=O)[O-])no1 ZINC000004749888 384680177 /nfs/dbraw/zinc/68/01/77/384680177.db2.gz MSQMMJWWNYIQNY-UHFFFAOYSA-N 0 0 247.210 2.144 50 5 BEBARN O=C1CCc2cc(Cl)cc([N+](=O)[O-])c2N1 ZINC000071196148 384704040 /nfs/dbraw/zinc/70/40/40/384704040.db2.gz CKVDONOOZSXFIO-UHFFFAOYSA-N 0 0 226.619 2.133 50 5 BEBARN O=Cc1cc([N+](=O)[O-])c(Br)s1 ZINC000034499880 384783452 /nfs/dbraw/zinc/78/34/52/384783452.db2.gz TWTNTCADPSCOHX-UHFFFAOYSA-N 0 0 236.046 2.231 50 5 BEBARN CC(=O)Nc1c(C)ccc(F)c1[N+](=O)[O-] ZINC000085476917 384949004 /nfs/dbraw/zinc/94/90/04/384949004.db2.gz RAHCIRIELWAZJX-UHFFFAOYSA-N 0 0 212.180 2.001 50 5 BEBARN CCOc1cc(F)c(F)c([N+](=O)[O-])c1 ZINC000263623252 385008808 /nfs/dbraw/zinc/00/88/08/385008808.db2.gz FYISIGXWPLZRIB-UHFFFAOYSA-N 0 0 203.144 2.272 50 5 BEBARN COC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000032222582 385137937 /nfs/dbraw/zinc/13/79/37/385137937.db2.gz USGSGFWEGZVPNF-UHFFFAOYSA-N 0 0 215.592 2.035 50 5 BEBARN O=[N+]([O-])c1cc(Cl)ccc1-n1cccn1 ZINC000072336334 385199397 /nfs/dbraw/zinc/19/93/97/385199397.db2.gz YYKUWVRHVIILNR-UHFFFAOYSA-N 0 0 223.619 2.434 50 5 BEBARN Cc1cnn(Cc2ccccc2[N+](=O)[O-])c1 ZINC000096428953 385166420 /nfs/dbraw/zinc/16/64/20/385166420.db2.gz HZACKWZUPLEWHW-UHFFFAOYSA-N 0 0 217.228 2.148 50 5 BEBARN O=[N+]([O-])c1ccc(F)cc1CN1CCCC1 ZINC000051125771 385225640 /nfs/dbraw/zinc/22/56/40/385225640.db2.gz XECKQJVQSXZPHD-UHFFFAOYSA-N 0 0 224.235 2.330 50 5 BEBARN Cc1cc(COc2ccc(C)nc2[N+](=O)[O-])no1 ZINC000005702277 385228679 /nfs/dbraw/zinc/22/86/79/385228679.db2.gz WGISYAHKTRTRMW-UHFFFAOYSA-N 0 0 249.226 2.174 50 5 BEBARN Cc1ccnc(-n2cccc2)c1[N+](=O)[O-] ZINC000034252829 385275350 /nfs/dbraw/zinc/27/53/50/385275350.db2.gz BSJDEUJISIOWPT-UHFFFAOYSA-N 0 0 203.201 2.089 50 5 BEBARN C[C@H]1Sc2ccc([N+](=O)[O-])cc2NC1=O ZINC000095644349 385410443 /nfs/dbraw/zinc/41/04/43/385410443.db2.gz BKCNCIQMFHFQGI-RXMQYKEDSA-N 0 0 224.241 2.028 50 5 BEBARN CC/C=C/CCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000186156966 385750585 /nfs/dbraw/zinc/75/05/85/385750585.db2.gz UHPFIQOJFOGNPW-ONEGZZNKSA-N 0 0 222.244 2.113 50 5 BEBARN Cc1noc(COc2cccc([N+](=O)[O-])c2C)n1 ZINC000047355396 386952787 /nfs/dbraw/zinc/95/27/87/386952787.db2.gz CFYRKXOTFZNQQJ-UHFFFAOYSA-N 0 0 249.226 2.174 50 5 BEBARN CCCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000006310587 387788821 /nfs/dbraw/zinc/78/88/21/387788821.db2.gz YVWTYVHTVDPGBB-UHFFFAOYSA-N 0 0 236.271 2.433 50 5 BEBARN O=[N+]([O-])c1ccc(N[C@@H]2CCCSC2)cn1 ZINC000089794281 388367366 /nfs/dbraw/zinc/36/73/66/388367366.db2.gz BNJRCYQCYRXUHB-SECBINFHSA-N 0 0 239.300 2.297 50 5 BEBARN O=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004288322 388398684 /nfs/dbraw/zinc/39/86/84/388398684.db2.gz AONHBESCCBXPAD-UHFFFAOYSA-N 0 0 220.228 2.008 50 5 BEBARN O=[N+]([O-])c1ccc(-n2cnc(Cl)c2)cc1 ZINC000069949557 388430860 /nfs/dbraw/zinc/43/08/60/388430860.db2.gz WKFASFILKPLHIS-UHFFFAOYSA-N 0 0 223.619 2.434 50 5 BEBARN O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CCC[C@@H]1O ZINC000225724266 388592432 /nfs/dbraw/zinc/59/24/32/388592432.db2.gz UKGJUSBSYPVXLQ-KCJUWKMLSA-N 0 0 240.234 2.059 50 5 BEBARN O=[N+]([O-])c1ccc(Cl)c2nsnc21 ZINC000064871453 388671602 /nfs/dbraw/zinc/67/16/02/388671602.db2.gz OMRZOXCMZJOMCK-UHFFFAOYSA-N 0 0 215.621 2.253 50 5 BEBARN COC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000002525469 388715338 /nfs/dbraw/zinc/71/53/38/388715338.db2.gz VTWUVGLVDQXCJO-UHFFFAOYSA-N 0 0 215.592 2.035 50 5 BEBARN O=[N+]([O-])c1ccc(/C=C/c2csnn2)nc1 ZINC000095964517 388796077 /nfs/dbraw/zinc/79/60/77/388796077.db2.gz UVMPWYZSUWOQDV-OWOJBTEDSA-N 0 0 234.240 2.012 50 5 BEBARN Cc1ccc([N+](=O)[O-])c(C)c1OCC(C)(C)O ZINC000095974915 388797507 /nfs/dbraw/zinc/79/75/07/388797507.db2.gz SEBTYRRSPNTTTR-UHFFFAOYSA-N 0 0 239.271 2.361 50 5 BEBARN Cc1c(NCCC(C)(C)O)cccc1[N+](=O)[O-] ZINC000095943731 388791649 /nfs/dbraw/zinc/79/16/49/388791649.db2.gz ZOEOXTPCDWZWDY-UHFFFAOYSA-N 0 0 238.287 2.476 50 5 BEBARN O=[N+]([O-])c1ccc(N2CCCO2)c2ncccc12 ZINC000096502643 388821641 /nfs/dbraw/zinc/82/16/41/388821641.db2.gz RAAVWTLTADSTQD-UHFFFAOYSA-N 0 0 245.238 2.285 50 5 BEBARN O=[N+]([O-])c1c2cccnc2ccc1N1CCCO1 ZINC000097108360 388834088 /nfs/dbraw/zinc/83/40/88/388834088.db2.gz ROFANXCRCIXERD-UHFFFAOYSA-N 0 0 245.238 2.285 50 5 BEBARN CSCCCN(C)c1ncccc1[N+](=O)[O-] ZINC000241132979 388888417 /nfs/dbraw/zinc/88/84/17/388888417.db2.gz JNTCADCMRHJKKE-UHFFFAOYSA-N 0 0 241.316 2.179 50 5 BEBARN O=[N+]([O-])c1ccc(N2CCSCC2)cc1 ZINC000004859561 132317038 /nfs/dbraw/zinc/31/70/38/132317038.db2.gz IRHIMRCEUXJBGP-UHFFFAOYSA-N 0 0 224.285 2.148 50 5 BEBARN C[C@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000022797035 132332910 /nfs/dbraw/zinc/33/29/10/132332910.db2.gz NBGYDISBOSWHNO-UWVGGRQHSA-N 0 0 235.287 2.472 50 5 BEBARN C[C@@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000022797016 132332928 /nfs/dbraw/zinc/33/29/28/132332928.db2.gz NBGYDISBOSWHNO-NXEZZACHSA-N 0 0 235.287 2.472 50 5 BEBARN CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000065552062 132390298 /nfs/dbraw/zinc/39/02/98/132390298.db2.gz MCVUOANESFJKPR-GFCCVEGCSA-N 0 0 236.271 2.210 50 5 BEBARN CC(C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000063798 167036736 /nfs/dbraw/zinc/03/67/36/167036736.db2.gz KTPFDKIZPSQIEE-VOTSOKGWSA-N 0 0 234.255 2.133 50 5 BEBARN CC(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000290724 167037641 /nfs/dbraw/zinc/03/76/41/167037641.db2.gz GDMKBIXEIYPYBR-VMPITWQZSA-N 0 0 234.255 2.133 50 5 BEBARN COc1cc(C=O)cc([N+](=O)[O-])c1OC(C)C ZINC000002873821 411172652 /nfs/dbraw/zinc/17/26/52/411172652.db2.gz PPFDTGKKTMZWHG-UHFFFAOYSA-N 0 0 239.227 2.203 50 5 BEBARN CC1(C)CNc2cc([N+](=O)[O-])ccc2O1 ZINC000002585783 167968937 /nfs/dbraw/zinc/96/89/37/167968937.db2.gz IMTHKLARQSFDMB-UHFFFAOYSA-N 0 0 208.217 2.178 50 5 BEBARN CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000005500978 168244639 /nfs/dbraw/zinc/24/46/39/168244639.db2.gz CYKKRGKGKZPLDK-UHFFFAOYSA-N 0 0 212.180 2.082 50 5 BEBARN CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004583127 170084654 /nfs/dbraw/zinc/08/46/54/170084654.db2.gz YQHHKRRVFKNGDB-UHFFFAOYSA-N 0 0 223.232 2.045 50 5 BEBARN CCNc1cc(Cl)c2nonc2c1[N+](=O)[O-] ZINC000004894750 170171997 /nfs/dbraw/zinc/17/19/97/170171997.db2.gz GQTWXKJUGJYTQD-UHFFFAOYSA-N 0 0 242.622 2.216 50 5 BEBARN CCNc1ccc(C(=O)OCC)cc1[N+](=O)[O-] ZINC000003885451 170173620 /nfs/dbraw/zinc/17/36/20/170173620.db2.gz IMXVAPWRGKQKOG-UHFFFAOYSA-N 0 0 238.243 2.203 50 5 BEBARN CCOC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000035082348 170230038 /nfs/dbraw/zinc/23/00/38/170230038.db2.gz RUFWJCXCVXSNQN-UHFFFAOYSA-N 0 0 241.268 2.250 50 5 BEBARN CCOC(=O)c1cc([N+](=O)[O-])c(F)cc1F ZINC000035186050 170293431 /nfs/dbraw/zinc/29/34/31/170293431.db2.gz HKGIEPXOWGJFCW-UHFFFAOYSA-N 0 0 231.154 2.050 50 5 BEBARN CCOC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000000153780 170293789 /nfs/dbraw/zinc/29/37/89/170293789.db2.gz GTZAIVBXGPLYGD-UHFFFAOYSA-N 0 0 234.211 2.253 50 5 BEBARN CC[C@@](C)([N+](=O)[O-])C1([N+](=O)[O-])CCCC1 ZINC000002141599 171193646 /nfs/dbraw/zinc/19/36/46/171193646.db2.gz ZDERJVKTWAPGLU-MRVPVSSYSA-N 0 0 216.237 2.021 50 5 BEBARN CCc1cnc(CNc2ccc([N+](=O)[O-])cn2)o1 ZINC000170598729 171916029 /nfs/dbraw/zinc/91/60/29/171916029.db2.gz VRBXPPUOTMPDGC-UHFFFAOYSA-N 0 0 248.242 2.152 50 5 BEBARN CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004583069 172382057 /nfs/dbraw/zinc/38/20/57/172382057.db2.gz QDRIOMFMLJYXCY-UHFFFAOYSA-N 0 0 243.650 2.342 50 5 BEBARN CN(c1ccc([N+](=O)[O-])cn1)C1CCCC1 ZINC000013014485 172947652 /nfs/dbraw/zinc/94/76/52/172947652.db2.gz ZZWBHRIFMLTVQQ-UHFFFAOYSA-N 0 0 221.260 2.369 50 5 BEBARN COC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000034431484 173897017 /nfs/dbraw/zinc/89/70/17/173897017.db2.gz JBCQPBVZKBEHNF-UHFFFAOYSA-N 0 0 215.592 2.035 50 5 BEBARN COCCCOc1cccc(C)c1[N+](=O)[O-] ZINC000097114991 174257095 /nfs/dbraw/zinc/25/70/95/174257095.db2.gz IIEYIXVQCOGZLQ-UHFFFAOYSA-N 0 0 225.244 2.319 50 5 BEBARN COCCSc1ccc([N+](=O)[O-])cc1F ZINC000089420251 174377599 /nfs/dbraw/zinc/37/75/99/174377599.db2.gz BINQPZHEQSKCHD-UHFFFAOYSA-N 0 0 231.248 2.472 50 5 BEBARN COc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000004782830 175017487 /nfs/dbraw/zinc/01/74/87/175017487.db2.gz RYPKJYFTUYYSFV-UHFFFAOYSA-N 0 0 211.217 2.391 50 5 BEBARN COc1cc2scnc2c([N+](=O)[O-])c1 ZINC000000367531 175017728 /nfs/dbraw/zinc/01/77/28/175017728.db2.gz YHRYBRPGZGGMNR-UHFFFAOYSA-N 0 0 210.214 2.213 50 5 BEBARN COc1cc([N+](=O)[O-])c(NC(C)=O)cc1Cl ZINC000004829798 175017850 /nfs/dbraw/zinc/01/78/50/175017850.db2.gz UDVMKRHMXJOWQA-UHFFFAOYSA-N 0 0 244.634 2.215 50 5 BEBARN COc1ccc(-n2cccc2C=O)c([N+](=O)[O-])c1 ZINC000004237750 175044241 /nfs/dbraw/zinc/04/42/41/175044241.db2.gz JGTHUFBUGDDCNF-UHFFFAOYSA-N 0 0 246.222 2.207 50 5 BEBARN COc1ccc(-n2cccc2)c([N+](=O)[O-])c1 ZINC000000138116 175044350 /nfs/dbraw/zinc/04/43/50/175044350.db2.gz KMZGPJSPPSTZKT-UHFFFAOYSA-N 0 0 218.212 2.394 50 5 BEBARN COc1ccc(Nc2n[nH]c(C)c2[N+](=O)[O-])cc1 ZINC000008972857 175155899 /nfs/dbraw/zinc/15/58/99/175155899.db2.gz OHAPQWWWLIQUPZ-UHFFFAOYSA-N 0 0 248.242 2.379 50 5 BEBARN COc1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000002654639 175162887 /nfs/dbraw/zinc/16/28/87/175162887.db2.gz CJRWZVCOTDAROG-UHFFFAOYSA-N 0 0 219.143 2.205 50 5 BEBARN COc1ccc([N+](=O)[O-])cc1Br ZINC000001727322 175200736 /nfs/dbraw/zinc/20/07/36/175200736.db2.gz JMUDXQVNBZCQRF-UHFFFAOYSA-N 0 0 232.033 2.366 50 5 BEBARN COc1cccc(Nc2n[nH]c(C)c2[N+](=O)[O-])c1 ZINC000004718368 175280888 /nfs/dbraw/zinc/28/08/88/175280888.db2.gz AWRJLECYVNHZPW-UHFFFAOYSA-N 0 0 248.242 2.379 50 5 BEBARN C[C@H](O)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000004142201 176992218 /nfs/dbraw/zinc/99/22/18/176992218.db2.gz NAHNGRSZAGFPTJ-LURJTMIESA-N 0 0 230.651 2.041 50 5 BEBARN Cc1c(N)cc(Br)cc1[N+](=O)[O-] ZINC000014983146 177609868 /nfs/dbraw/zinc/60/98/68/177609868.db2.gz OOKFCQHMHNKVKJ-UHFFFAOYSA-N 0 0 231.049 2.248 50 5 BEBARN CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000065552064 536161429 /nfs/dbraw/zinc/16/14/29/536161429.db2.gz MCVUOANESFJKPR-LBPRGKRZSA-N 0 0 236.271 2.210 50 5 BEBARN O=[N+]([O-])c1ccc(OC[C@@H]2CO2)c(Cl)c1 ZINC000022222053 590389652 /nfs/dbraw/zinc/38/96/52/590389652.db2.gz QVEGEDSWHHPLLK-ZETCQYMHSA-N 0 0 229.619 2.026 50 5 BEBARN Cc1nn(Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000097052529 398213821 /nfs/dbraw/zinc/21/38/21/398213821.db2.gz LJRKXZASYXOMOS-UHFFFAOYSA-N 0 0 235.218 2.287 50 5 BEBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)no1 ZINC000000175546 178149700 /nfs/dbraw/zinc/14/97/00/178149700.db2.gz JYCYWWSDZJILCW-UHFFFAOYSA-N 0 0 247.210 2.144 50 5 BEBARN Cc1cc([N+](=O)[O-])c(F)c(Br)c1N ZINC000096024684 178269519 /nfs/dbraw/zinc/26/95/19/178269519.db2.gz IKRPPOOTRJWOEG-UHFFFAOYSA-N 0 0 249.039 2.387 50 5 BEBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C(F)(F)F ZINC000004016099 178270901 /nfs/dbraw/zinc/27/09/01/178270901.db2.gz AICHEQGSNQIMPY-UHFFFAOYSA-N 0 0 248.160 2.404 50 5 BEBARN Cc1cc([N+](=O)[O-])ncc1Br ZINC000067171994 178275318 /nfs/dbraw/zinc/27/53/18/178275318.db2.gz OZAONQSRAXEGMW-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 BEBARN O=c1c2ccccc2nc2c3ccccc3ncn12 ZINC000000076141 342672947 /nfs/dbraw/zinc/67/29/47/342672947.db2.gz MBXQOZNRJDGWHA-UHFFFAOYSA-N 0 0 247.257 2.396 50 5 BEBARN COc1c([N+](=O)[O-])c(C)nn1-c1ccccc1 ZINC000005378181 342762831 /nfs/dbraw/zinc/76/28/31/342762831.db2.gz WMFBBQFNGIQKLZ-UHFFFAOYSA-N 0 0 233.227 2.098 50 5 BEBARN Nc1cc2nc3ccccc3[nH]c-2cc1=O ZINC000005422104 342763623 /nfs/dbraw/zinc/76/36/23/342763623.db2.gz AJIRUIWLEVHQMU-UHFFFAOYSA-N 0 0 211.224 2.071 50 5 BEBARN CC(C)(C)[S@@](=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000200910848 342767002 /nfs/dbraw/zinc/76/70/02/342767002.db2.gz PYWXCHYXPRACSZ-MRXNPFEDSA-N 0 0 242.300 2.469 50 5 BEBARN C[C@H](O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000004475545 342873334 /nfs/dbraw/zinc/87/33/34/342873334.db2.gz TXCFCSJFJWGSPS-LURJTMIESA-N 0 0 230.651 2.041 50 5 BEBARN C[C@H](CO)Sc1ccc(F)cc1[N+](=O)[O-] ZINC000078676207 398310440 /nfs/dbraw/zinc/31/04/40/398310440.db2.gz ZFHOPKNMOFVPST-ZCFIWIBFSA-N 0 0 231.248 2.207 50 5 BEBARN CN(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000016757486 342915012 /nfs/dbraw/zinc/91/50/12/342915012.db2.gz QOMAYFFYZHAPEH-UHFFFAOYSA-N 0 0 200.625 2.314 50 5 BEBARN CCCC[C@@H](CC(=O)OCC)C[N+](=O)[O-] ZINC000144470380 343135309 /nfs/dbraw/zinc/13/53/09/343135309.db2.gz CJCKANNWBYPUFI-VIFPVBQESA-N 0 0 217.265 2.023 50 5 BEBARN Cc1ccc(C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000000101980 187244493 /nfs/dbraw/zinc/24/44/93/187244493.db2.gz YINSSIRNLKVQHE-UHFFFAOYSA-N 0 0 236.271 2.432 50 5 BEBARN O=c1oc2cc(O)cc(O)c2c2ccccc12 ZINC000005731721 187249127 /nfs/dbraw/zinc/24/91/27/187249127.db2.gz VLXAGAKGJMXVQF-UHFFFAOYSA-N 0 0 228.203 2.357 50 5 biogenic BEBARN O=[N+]([O-])c1ccc([C@@H](O)C(F)(F)F)cc1 ZINC000034618052 187257286 /nfs/dbraw/zinc/25/72/86/187257286.db2.gz UQFMTXANBPARMP-SSDOTTSWSA-N 0 0 221.134 2.191 50 5 BEBARN O=[N+]([O-])c1ccc(OC(F)(F)F)cc1 ZINC000000081468 344244740 /nfs/dbraw/zinc/24/47/40/344244740.db2.gz UBEIKVUMDBCCRW-UHFFFAOYSA-N 0 0 207.107 2.493 50 5 BEBARN CC[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000103211 344405166 /nfs/dbraw/zinc/40/51/66/344405166.db2.gz BTZIFNGDQSZILQ-MRVPVSSYSA-N 0 0 222.244 2.123 50 5 BEBARN Cc1nc([N+](=O)[O-])ccc1Br ZINC000139411046 344464209 /nfs/dbraw/zinc/46/42/09/344464209.db2.gz WEZKULYNVOIOOV-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 BEBARN O=C(Oc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000000243336 344658604 /nfs/dbraw/zinc/65/86/04/344658604.db2.gz HRRPXZTUQWJJHK-UHFFFAOYSA-N 0 0 244.206 2.209 50 5 BEBARN Cc1[nH]c2cc([N+](=O)[O-])ccc2c1C=O ZINC000000294371 344676688 /nfs/dbraw/zinc/67/66/88/344676688.db2.gz MMDHZVMGQHEMHU-UHFFFAOYSA-N 0 0 204.185 2.197 50 5 BEBARN Cc1c(C=O)c2cc([N+](=O)[O-])ccc2n1C ZINC000000294420 344676722 /nfs/dbraw/zinc/67/67/22/344676722.db2.gz PLCJADLBZIAXPX-UHFFFAOYSA-N 0 0 218.212 2.207 50 5 BEBARN CCCn1c(C)c([N+](=O)[O-])cc1C(=O)OCC ZINC000000386914 344737726 /nfs/dbraw/zinc/73/77/26/344737726.db2.gz UKYSXPBCUNPDMI-UHFFFAOYSA-N 0 0 240.259 2.291 50 5 BEBARN O=[N+]([O-])c1cnn(Cc2ccc(Cl)cc2)c1 ZINC000000380103 344737994 /nfs/dbraw/zinc/73/79/94/344737994.db2.gz QOQFIHRRAOBNEO-UHFFFAOYSA-N 0 0 237.646 2.493 50 5 BEBARN CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000000337300 344701798 /nfs/dbraw/zinc/70/17/98/344701798.db2.gz BUZMXMGVGWIAJH-UHFFFAOYSA-N 0 0 214.608 2.207 50 5 BEBARN COc1c(C(C)=O)cc(C)c(C)c1[N+](=O)[O-] ZINC000000337665 344701851 /nfs/dbraw/zinc/70/18/51/344701851.db2.gz QZKDOYNNESJXCM-UHFFFAOYSA-N 0 0 223.228 2.423 50 5 BEBARN O=[N+]([O-])c1ccc2nc3ccccc3n2c1 ZINC000000347941 344709420 /nfs/dbraw/zinc/70/94/20/344709420.db2.gz AQWHWIZVJXSSQM-UHFFFAOYSA-N 0 0 213.196 2.396 50 5 BEBARN CC(C)=CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000145675 187300700 /nfs/dbraw/zinc/30/07/00/187300700.db2.gz XPMCXXRRKPANPO-UHFFFAOYSA-N 0 0 220.228 2.500 50 5 BEBARN Cc1c(F)c([N+](=O)[O-])cc([N+](=O)[O-])c1F ZINC000034214758 346226115 /nfs/dbraw/zinc/22/61/15/346226115.db2.gz GONFSKOWDVAZFW-UHFFFAOYSA-N 0 0 218.115 2.090 50 5 BEBARN O=[N+]([O-])c1ccc(-c2ccncn2)s1 ZINC000000480684 346604891 /nfs/dbraw/zinc/60/48/91/346604891.db2.gz HRONJYKBBQPVDW-UHFFFAOYSA-N 0 0 207.214 2.113 50 5 BEBARN Cc1cccc(Nc2ncn(C)c2[N+](=O)[O-])c1 ZINC000005322646 179159769 /nfs/dbraw/zinc/15/97/69/179159769.db2.gz IRWSJGZPRLMWML-UHFFFAOYSA-N 0 0 232.243 2.380 50 5 BEBARN CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])cn1 ZINC000034624419 348076708 /nfs/dbraw/zinc/07/67/08/348076708.db2.gz WIRMJKZHSYNQDD-UHFFFAOYSA-N 0 0 239.231 2.337 50 5 BEBARN Cc1cnn(Cc2c(F)cccc2[N+](=O)[O-])c1 ZINC000096428960 179743050 /nfs/dbraw/zinc/74/30/50/179743050.db2.gz HEBGBNDWIGHRLW-UHFFFAOYSA-N 0 0 235.218 2.287 50 5 BEBARN Cc1nc([N+](=O)[O-])cn1Cc1ccccc1 ZINC000000225647 180059543 /nfs/dbraw/zinc/05/95/43/180059543.db2.gz WAFSMRYZKYAZJQ-UHFFFAOYSA-N 0 0 217.228 2.148 50 5 BEBARN Cc1nn(C)cc1CNc1ccccc1[N+](=O)[O-] ZINC000095983230 180375727 /nfs/dbraw/zinc/37/57/27/180375727.db2.gz RBBZRBGTMCMXNE-UHFFFAOYSA-N 0 0 246.270 2.249 50 5 BEBARN O=[N+]([O-])c1cccc2c(Br)n[nH]c21 ZINC000003870920 351389186 /nfs/dbraw/zinc/38/91/86/351389186.db2.gz NFSTZPMYAZRZPC-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 in-vivo BEBARN CC(C)(C)c1cnnn1-c1cccc([N+](=O)[O-])c1 ZINC000000192397 187582657 /nfs/dbraw/zinc/58/26/57/187582657.db2.gz XZOOXAHBVSJCDA-UHFFFAOYSA-N 0 0 246.270 2.473 50 5 BEBARN CC(=O)Nc1c(F)ccc([N+](=O)[O-])c1Cl ZINC000000152752 188272279 /nfs/dbraw/zinc/27/22/79/188272279.db2.gz WFHKGFKXWQBKQF-UHFFFAOYSA-N 0 0 232.598 2.346 50 5 BEBARN O=[N+]([O-])c1ccc2[nH]c(C3CC3)nc2c1 ZINC000009338057 188278705 /nfs/dbraw/zinc/27/87/05/188278705.db2.gz QKWXLTTXVGJHOZ-UHFFFAOYSA-N 0 0 203.201 2.349 50 5 BEBARN O=[N+]([O-])c1nc[nH]c1NC1CCCCC1 ZINC000004468968 188336794 /nfs/dbraw/zinc/33/67/94/188336794.db2.gz KNHWHIMTNJPFPE-UHFFFAOYSA-N 0 0 210.237 2.063 50 5 BEBARN CC[C@](C)([N+](=O)[O-])C1([N+](=O)[O-])CCCC1 ZINC000002141598 363361910 /nfs/dbraw/zinc/36/19/10/363361910.db2.gz ZDERJVKTWAPGLU-QMMMGPOBSA-N 0 0 216.237 2.021 50 5 BEBARN NC(=O)c1c(Cl)ccc(Cl)c1[N+](=O)[O-] ZINC000247714429 181286093 /nfs/dbraw/zinc/28/60/93/181286093.db2.gz MKWYPZYNKQDIOQ-UHFFFAOYSA-N 0 0 235.026 2.001 50 5 BEBARN O=[N+]([O-])c1ccc2ncc(Cl)nc2c1 ZINC000002166178 363495828 /nfs/dbraw/zinc/49/58/28/363495828.db2.gz DCWHGXURAAYUEC-UHFFFAOYSA-N 0 0 209.592 2.191 50 5 BEBARN NC(=O)c1c2ccccc2nc2ccccc21 ZINC000004362975 181287476 /nfs/dbraw/zinc/28/74/76/181287476.db2.gz QBFNAVMTMIICEI-UHFFFAOYSA-N 0 0 222.247 2.487 50 5 BEBARN Cn1cccc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000015987601 356663351 /nfs/dbraw/zinc/66/33/51/356663351.db2.gz AFYIQDHWJYALKM-UHFFFAOYSA-N 0 0 242.238 2.477 50 5 BEBARN CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001628052 357023922 /nfs/dbraw/zinc/02/39/22/357023922.db2.gz CQLUVMHXDVLHSK-UHFFFAOYSA-N 0 0 214.202 2.225 50 5 BEBARN NC(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000196298285 181292074 /nfs/dbraw/zinc/29/20/74/181292074.db2.gz KJEXYZTZEXYFLL-UHFFFAOYSA-N 0 0 235.026 2.001 50 5 BEBARN Cc1ccc([N+](=O)[O-])cc1NC=C[N+](=O)[O-] ZINC000006432631 358119308 /nfs/dbraw/zinc/11/93/08/358119308.db2.gz JESKZHHAEVFJKM-SNAWJCMRSA-N 0 0 223.188 2.063 50 5 BEBARN NC(=O)c1ccc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000263623484 181296944 /nfs/dbraw/zinc/29/69/44/181296944.db2.gz HVOBRYHFMDBPCI-UHFFFAOYSA-N 0 0 235.026 2.001 50 5 BEBARN CCCC(CCC)(C[N+](=O)[O-])C[N+](=O)[O-] ZINC000001751889 358428659 /nfs/dbraw/zinc/42/86/59/358428659.db2.gz GLRJVMXAWWETDE-UHFFFAOYSA-N 0 0 218.253 2.126 50 5 BEBARN CC(=O)Nc1cc2ccoc2c([N+](=O)[O-])c1 ZINC000036559214 361173054 /nfs/dbraw/zinc/17/30/54/361173054.db2.gz MQVMQVWJQMICKH-UHFFFAOYSA-N 0 0 220.184 2.299 50 5 BEBARN CC(C)(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000002172934 363849451 /nfs/dbraw/zinc/84/94/51/363849451.db2.gz OVMGVBRRJVGAEO-UHFFFAOYSA-N 0 0 243.284 2.167 50 5 BEBARN Cc1ccc(NC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000002172205 363850754 /nfs/dbraw/zinc/85/07/54/363850754.db2.gz FCDXRNRHWSKZDH-UHFFFAOYSA-N 0 0 237.259 2.433 50 5 BEBARN O=[N+]([O-])c1cc(Br)cnc1Cl ZINC000002559366 371579590 /nfs/dbraw/zinc/57/95/90/371579590.db2.gz WWQQPSDIIVXFOX-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 in-vitro BEBARN O=[N+]([O-])c1ccc2c(cnn2C(F)F)c1 ZINC000002647796 371621518 /nfs/dbraw/zinc/62/15/18/371621518.db2.gz YZLRVSNATZSDLY-UHFFFAOYSA-N 0 0 213.143 2.340 50 5 BEBARN Nc1nc(Sc2ccccn2)ccc1[N+](=O)[O-] ZINC000019815475 181788350 /nfs/dbraw/zinc/78/83/50/181788350.db2.gz GJVQJRVGAWHVRY-UHFFFAOYSA-N 0 0 248.267 2.118 50 5 BEBARN CC(C)(C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000002774356 371657065 /nfs/dbraw/zinc/65/70/65/371657065.db2.gz YNOSHZGFNIQYQM-UHFFFAOYSA-N 0 0 236.271 2.052 50 5 BEBARN O=[N+]([O-])c1cnn(Cc2cccc(Cl)c2)c1 ZINC000002863326 371683999 /nfs/dbraw/zinc/68/39/99/371683999.db2.gz SUIBHGCRRHPUKH-UHFFFAOYSA-N 0 0 237.646 2.493 50 5 BEBARN CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000003093858 371869707 /nfs/dbraw/zinc/86/97/07/371869707.db2.gz VBGGXXPDZCHJDP-UHFFFAOYSA-N 0 0 236.271 2.052 50 5 BEBARN COc1cc(N2CCCC2)ccc1[N+](=O)[O-] ZINC000003877913 372083947 /nfs/dbraw/zinc/08/39/47/372083947.db2.gz KTPYTBWTSLNUGL-UHFFFAOYSA-N 0 0 222.244 2.204 50 5 BEBARN Nc1ccc(C(=O)c2cccs2)cc1[N+](=O)[O-] ZINC000003878362 372084012 /nfs/dbraw/zinc/08/40/12/372084012.db2.gz JYEFXNUTHWKKGY-UHFFFAOYSA-N 0 0 248.263 2.470 50 5 in-vitro BEBARN CC(C)=CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004056708 372125214 /nfs/dbraw/zinc/12/52/14/372125214.db2.gz FNZQIVHPBICQPB-UHFFFAOYSA-N 0 0 220.228 2.500 50 5 BEBARN O=[N+]([O-])c1ccc(Br)cc1[N+](=O)[O-] ZINC000004256050 372185205 /nfs/dbraw/zinc/18/52/05/372185205.db2.gz XNXZZFQZGVFMAN-UHFFFAOYSA-N 0 0 247.004 2.266 50 5 BEBARN Cc1ccc(Nc2c([N+](=O)[O-])ncn2C)cc1 ZINC000008308510 372558665 /nfs/dbraw/zinc/55/86/65/372558665.db2.gz MESNWGMVANMTPS-UHFFFAOYSA-N 0 0 232.243 2.380 50 5 BEBARN O=[N+]([O-])c1ccc2[nH]nc(Br)c2c1 ZINC000008729914 372861675 /nfs/dbraw/zinc/86/16/75/372861675.db2.gz SYTGRKBQTUKOAI-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN O=C(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000038125892 182046090 /nfs/dbraw/zinc/04/60/90/182046090.db2.gz JNRZUKPLNJZWNF-UHFFFAOYSA-N 0 0 205.213 2.116 50 5 BEBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000004006104 182363042 /nfs/dbraw/zinc/36/30/42/182363042.db2.gz CTMRLATWDPKMGM-UHFFFAOYSA-N 0 0 232.195 2.440 50 5 BEBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000000040244 182371551 /nfs/dbraw/zinc/37/15/51/182371551.db2.gz VOVIUHCZEVLDNA-UHFFFAOYSA-N 0 0 232.195 2.440 50 5 BEBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000004016751 182380799 /nfs/dbraw/zinc/38/07/99/182380799.db2.gz KNAMKCYHABYXCA-UHFFFAOYSA-N 0 0 232.195 2.440 50 5 BEBARN O=C(Nc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000000244033 182384295 /nfs/dbraw/zinc/38/42/95/182384295.db2.gz DRCKREXMVGWWIE-UHFFFAOYSA-N 0 0 243.222 2.242 50 5 BEBARN O=C(Nc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000000172024 182402316 /nfs/dbraw/zinc/40/23/16/182402316.db2.gz SXVKIMCWFQAXPM-UHFFFAOYSA-N 0 0 249.251 2.304 50 5 BEBARN CCOC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC000095215851 170292592 /nfs/dbraw/zinc/29/25/92/170292592.db2.gz HQAWZQFZCRXDKW-UHFFFAOYSA-N 0 0 244.634 2.007 50 5 BEBARN O=Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000025725545 182867514 /nfs/dbraw/zinc/86/75/14/182867514.db2.gz CTSYMGKKRHIYIH-UHFFFAOYSA-N 0 0 219.118 2.426 50 5 BEBARN O=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000000033994 182873014 /nfs/dbraw/zinc/87/30/14/182873014.db2.gz HAWFRXCIWBFGHH-UHFFFAOYSA-N 0 0 216.196 2.198 50 5 BEBARN O=[N+]([O-])c1cccc(C2=NCCS2)c1 ZINC000000376676 182943441 /nfs/dbraw/zinc/94/34/41/182943441.db2.gz ODDGNCOLWASLCW-UHFFFAOYSA-N 0 0 208.242 2.088 50 5 BEBARN O=[N+]([O-])c1ccccc1OC[C@H]1CCOC1 ZINC000070013376 182952293 /nfs/dbraw/zinc/95/22/93/182952293.db2.gz PIVJRWPMJGIUKB-VIFPVBQESA-N 0 0 223.228 2.010 50 5 BEBARN O=[N+]([O-])c1ccc2c(Cl)ncnc2c1 ZINC000000353578 182940651 /nfs/dbraw/zinc/94/06/51/182940651.db2.gz CCCGYXZEVXWXAU-UHFFFAOYSA-N 0 0 209.592 2.191 50 5 BEBARN O=[N+]([O-])c1cnc2ccnc(Cl)c2c1 ZINC000095707218 182958465 /nfs/dbraw/zinc/95/84/65/182958465.db2.gz VLEUDDDQWNSCTP-UHFFFAOYSA-N 0 0 209.592 2.191 50 5 BEBARN O=[N+]([O-])c1cnc2ccc(C(F)(F)F)cn21 ZINC000040566636 182959261 /nfs/dbraw/zinc/95/92/61/182959261.db2.gz IBQLEURBIDJSIC-UHFFFAOYSA-N 0 0 231.133 2.261 50 5 BEBARN O=[N+]([O-])c1cnc2[nH]cc(C(F)(F)F)c2c1 ZINC000117061028 182959272 /nfs/dbraw/zinc/95/92/72/182959272.db2.gz BAFLUKHMOURLCD-UHFFFAOYSA-N 0 0 231.133 2.490 50 5 BEBARN CCSC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002580773 170625258 /nfs/dbraw/zinc/62/52/58/170625258.db2.gz OCUSVOYGBFETNB-UHFFFAOYSA-N 0 0 211.242 2.488 50 5 BEBARN CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004151048 169251833 /nfs/dbraw/zinc/25/18/33/169251833.db2.gz ZGGRHAZHLVGWPF-UHFFFAOYSA-N 0 0 242.662 2.388 50 5 BEBARN CC[C@](C)(O)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000071899555 384044701 /nfs/dbraw/zinc/04/47/01/384044701.db2.gz LKILXSMLTQTUFL-LBPRGKRZSA-N 0 0 238.287 2.476 50 5 BEBARN C[C@@H]1Cc2cc(/C=C/[N+](=O)[O-])ccc2O1 ZINC000004838446 384084100 /nfs/dbraw/zinc/08/41/00/384084100.db2.gz QIJPIFGDBFLVHA-WTSVBCDHSA-N 0 0 205.213 2.257 50 5 BEBARN CCC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000071900411 384054631 /nfs/dbraw/zinc/05/46/31/384054631.db2.gz KFIYPGWKQXWIJA-LLVKDONJSA-N 0 0 224.260 2.168 50 5 BEBARN COC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000043861811 384148958 /nfs/dbraw/zinc/14/89/58/384148958.db2.gz GMGZRXWZOZSBED-UHFFFAOYSA-N 0 0 249.144 2.400 50 5 BEBARN CCC[C@H](C)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000004704363 384173275 /nfs/dbraw/zinc/17/32/75/384173275.db2.gz PUUALUYQFODUBU-LURJTMIESA-N 0 0 243.288 2.426 50 5 BEBARN O=[N+]([O-])c1cccnc1N1CCCCCC1 ZINC000261508335 384357931 /nfs/dbraw/zinc/35/79/31/384357931.db2.gz RLYKPJZAGVYWRU-UHFFFAOYSA-N 0 0 221.260 2.370 50 5 BEBARN COc1c(F)c(C)cc([N+](=O)[O-])c1F ZINC000261493848 384331907 /nfs/dbraw/zinc/33/19/07/384331907.db2.gz KPNBJASTMJDLBH-UHFFFAOYSA-N 0 0 203.144 2.190 50 5 BEBARN Nc1ncnc2ncc3c4ccccc4[nH]c3c12 ZINC000000447981 384572934 /nfs/dbraw/zinc/57/29/34/384572934.db2.gz GVHWLJFLOVXEIH-UHFFFAOYSA-N 0 0 235.250 2.242 50 5 biogenic BEBARN COc1ccc([N+](=O)[O-])cc1-n1cccc1 ZINC000000454967 384582733 /nfs/dbraw/zinc/58/27/33/384582733.db2.gz NVMWNTGQCMINIU-UHFFFAOYSA-N 0 0 218.212 2.394 50 5 aggregator BEBARN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CC1 ZINC000044345876 384615646 /nfs/dbraw/zinc/61/56/46/384615646.db2.gz LCLHRJYTGFVQAX-ZCFIWIBFSA-N 0 0 240.284 2.185 50 5 BEBARN Cc1c(N)c([N+](=O)[O-])ccc1Br ZINC000082046711 384645380 /nfs/dbraw/zinc/64/53/80/384645380.db2.gz QZONGSDRDXYLDS-UHFFFAOYSA-N 0 0 231.049 2.248 50 5 BEBARN O=Cc1cc([N+](=O)[O-])c(Br)cc1F ZINC000014007759 384656159 /nfs/dbraw/zinc/65/61/59/384656159.db2.gz ZAROJBMUUUKZBH-UHFFFAOYSA-N 0 0 248.007 2.309 50 5 BEBARN Cc1ccn(CCOc2ccccc2[N+](=O)[O-])n1 ZINC000072209612 385064145 /nfs/dbraw/zinc/06/41/45/385064145.db2.gz SUHZPMRCNRYVPN-UHFFFAOYSA-N 0 0 247.254 2.179 50 5 BEBARN CC(C)(C)OC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000072297720 385180129 /nfs/dbraw/zinc/18/01/29/385180129.db2.gz MEFVPZNVGGXZQJ-UHFFFAOYSA-N 0 0 237.255 2.479 50 5 BEBARN COC(=O)[C@H](C)Sc1sccc1[N+](=O)[O-] ZINC000096492787 385228507 /nfs/dbraw/zinc/22/85/07/385228507.db2.gz JRIAQZHGSSJPKV-YFKPBYRVSA-N 0 0 247.297 2.310 50 5 BEBARN Nc1c2cnccc2c(Cl)cc1[N+](=O)[O-] ZINC000052508148 385738229 /nfs/dbraw/zinc/73/82/29/385738229.db2.gz YAQAGXKRDZXHMD-UHFFFAOYSA-N 0 0 223.619 2.379 50 5 BEBARN Cc1ccc(C(=O)NCC2CC2)cc1[N+](=O)[O-] ZINC000024830650 385876491 /nfs/dbraw/zinc/87/64/91/385876491.db2.gz WPOPDBPKXNUEGH-UHFFFAOYSA-N 0 0 234.255 2.043 50 5 BEBARN O=Cc1cc(N2CCCC2)ccc1[N+](=O)[O-] ZINC000015779447 386495046 /nfs/dbraw/zinc/49/50/46/386495046.db2.gz RBTIGMLMWOERDE-UHFFFAOYSA-N 0 0 220.228 2.008 50 5 BEBARN CCOc1c(Br)cncc1[N+](=O)[O-] ZINC000075252865 387371085 /nfs/dbraw/zinc/37/10/85/387371085.db2.gz NFLZCXMGTYPTSR-UHFFFAOYSA-N 0 0 247.048 2.151 50 5 BEBARN O=[N+]([O-])c1cccnc1N1CCC(F)(F)CC1 ZINC000169725762 387973975 /nfs/dbraw/zinc/97/39/75/387973975.db2.gz SOBNUCLWVKUPKF-UHFFFAOYSA-N 0 0 243.213 2.225 50 5 BEBARN Nc1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067321237 388406110 /nfs/dbraw/zinc/40/61/10/388406110.db2.gz ZQPLBENNWXXDOG-UHFFFAOYSA-N 0 0 221.241 2.301 50 5 BEBARN O=Cc1cc(Br)cc([N+](=O)[O-])c1 ZINC000040448373 388415459 /nfs/dbraw/zinc/41/54/59/388415459.db2.gz OUDCOMBHRXKPIJ-UHFFFAOYSA-N 0 0 230.017 2.170 50 5 BEBARN O=[N+]([O-])c1ccccc1OCC1CCOCC1 ZINC000069778697 388426386 /nfs/dbraw/zinc/42/63/86/388426386.db2.gz PDJZJMXACIZAAY-UHFFFAOYSA-N 0 0 237.255 2.400 50 5 BEBARN Cc1cc(=O)oc2c3ccccc3oc(=O)c12 ZINC000003957543 177721512 /nfs/dbraw/zinc/72/15/12/177721512.db2.gz GLXJNKWWCPMLCW-UHFFFAOYSA-N 0 0 228.203 2.208 50 5 biogenic BEBARN CC(=O)Nc1oncc1-c1ccc([N+](=O)[O-])cc1 ZINC000002518960 388740520 /nfs/dbraw/zinc/74/05/20/388740520.db2.gz LIFRESVMXSOGTQ-UHFFFAOYSA-N 0 0 247.210 2.208 50 5 BEBARN O=Cc1ccc(-c2ccc([N+](=O)[O-])cn2)cc1 ZINC000002563845 388847359 /nfs/dbraw/zinc/84/73/59/388847359.db2.gz YIRZRDALQHIURV-UHFFFAOYSA-N 0 0 228.207 2.469 50 5 BEBARN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000003884512 132315833 /nfs/dbraw/zinc/31/58/33/132315833.db2.gz XCCYGUOUNHECSY-NXEZZACHSA-N 0 0 236.271 2.208 50 5 BEBARN O=Cc1cc([N+](=O)[O-])ccc1Br ZINC000036532851 397937752 /nfs/dbraw/zinc/93/77/52/397937752.db2.gz LJASZNNBVOTAAN-UHFFFAOYSA-N 0 0 230.017 2.170 50 5 BEBARN CC(C)(C)CC(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000005496213 166551226 /nfs/dbraw/zinc/55/12/26/166551226.db2.gz ZVFPBQUDCWVIHF-UHFFFAOYSA-N 0 0 243.288 2.426 50 5 BEBARN CC(C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000083795446 167085127 /nfs/dbraw/zinc/08/51/27/167085127.db2.gz SDAZNQIANQCKSL-UHFFFAOYSA-N 0 0 242.662 2.386 50 5 BEBARN CC(C)Oc1ncc([N+](=O)[O-])cc1Cl ZINC000145839235 167314025 /nfs/dbraw/zinc/31/40/25/167314025.db2.gz QPXJXVCEKKUHQE-UHFFFAOYSA-N 0 0 216.624 2.430 50 5 BEBARN CCC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000003131468 168256147 /nfs/dbraw/zinc/25/61/47/168256147.db2.gz OCUKFCRZNSCAQO-UHFFFAOYSA-N 0 0 209.201 2.196 50 5 BEBARN CCOC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000003852439 170243883 /nfs/dbraw/zinc/24/38/83/170243883.db2.gz TYZGTJMAADYXIW-UHFFFAOYSA-N 0 0 224.216 2.472 50 5 BEBARN CCOC(=O)Oc1cc([N+](=O)[O-])c(F)cc1F ZINC000072482065 170244503 /nfs/dbraw/zinc/24/45/03/170244503.db2.gz NDMDBGDXLSTBFV-UHFFFAOYSA-N 0 0 247.153 2.408 50 5 BEBARN CCOC(=O)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000025336343 170297385 /nfs/dbraw/zinc/29/73/85/170297385.db2.gz OFGXEABLPOGFPA-UHFFFAOYSA-N 0 0 239.227 2.170 50 5 BEBARN CCOC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000035101662 170298570 /nfs/dbraw/zinc/29/85/70/170298570.db2.gz GORJIFRUPPQKPQ-UHFFFAOYSA-N 0 0 209.201 2.080 50 5 BEBARN CCSCCNc1ccc([N+](=O)[O-])cn1 ZINC000019874166 170639094 /nfs/dbraw/zinc/63/90/94/170639094.db2.gz IDBSZEIYJPLESP-UHFFFAOYSA-N 0 0 227.289 2.155 50 5 BEBARN CC[C@@H](C)Nc1c2nonc2ccc1[N+](=O)[O-] ZINC000004093887 170759160 /nfs/dbraw/zinc/75/91/60/170759160.db2.gz PZOUICPNMGBSLI-ZCFIWIBFSA-N 0 0 236.231 2.341 50 5 BEBARN CC[C@@H](CO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000004600227 170843359 /nfs/dbraw/zinc/84/33/59/170843359.db2.gz YMWGUZDEFDAFIR-QMMMGPOBSA-N 0 0 244.678 2.431 50 5 BEBARN CC[C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000006394624 171337457 /nfs/dbraw/zinc/33/74/57/171337457.db2.gz GACKSXXLXANRQH-VIFPVBQESA-N 0 0 236.271 2.432 50 5 BEBARN CC[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000042565052 171338182 /nfs/dbraw/zinc/33/81/82/171338182.db2.gz KSGPMLUMMLXSOF-LURJTMIESA-N 0 0 228.273 2.185 50 5 BEBARN CC[C@H](CO)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000004600228 171453949 /nfs/dbraw/zinc/45/39/49/171453949.db2.gz YMWGUZDEFDAFIR-MRVPVSSYSA-N 0 0 244.678 2.431 50 5 BEBARN COCCOc1cc(Cl)cc([N+](=O)[O-])c1 ZINC000261493844 174367597 /nfs/dbraw/zinc/36/75/97/174367597.db2.gz KMMCEXIQCXJSAO-UHFFFAOYSA-N 0 0 231.635 2.273 50 5 BEBARN COc1cc([N+](=O)[O-])ccc1-n1cccc1 ZINC000000083587 175017953 /nfs/dbraw/zinc/01/79/53/175017953.db2.gz GFTQQEQNHDHFCV-UHFFFAOYSA-N 0 0 218.212 2.394 50 5 BEBARN COc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000061966088 175034897 /nfs/dbraw/zinc/03/48/97/175034897.db2.gz KDASWBVVCLSJIW-UHFFFAOYSA-N 0 0 231.211 2.060 50 5 BEBARN COc1ccc(/C=C(\C)[N+](=O)[O-])cc1OC ZINC000004696938 175046604 /nfs/dbraw/zinc/04/66/04/175046604.db2.gz JGFBGRHDJMANRR-SOFGYWHQSA-N 0 0 223.228 2.341 50 5 BEBARN C[C@@H](C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000471990 175604130 /nfs/dbraw/zinc/60/41/30/175604130.db2.gz QNBWJBXYYLFGOE-SNVBAGLBSA-N 0 0 248.282 2.321 50 5 BEBARN C[C@@H](CO)Sc1ccc(F)cc1[N+](=O)[O-] ZINC000078676203 175759412 /nfs/dbraw/zinc/75/94/12/175759412.db2.gz ZFHOPKNMOFVPST-LURJTMIESA-N 0 0 231.248 2.207 50 5 BEBARN Cc1ccc(-c2cc[nH]n2)cc1[N+](=O)[O-] ZINC000042415014 582703509 /nfs/dbraw/zinc/70/35/09/582703509.db2.gz HJGWECFMLUXZLS-UHFFFAOYSA-N 0 0 203.201 2.293 50 5 BEBARN Cc1n[nH]cc1-c1ccc(F)cc1[N+](=O)[O-] ZINC000725271198 711588788 /nfs/dbraw/zinc/58/87/88/711588788.db2.gz ABHONKBOOSRZBQ-UHFFFAOYSA-N 0 0 221.191 2.432 50 5 BEBARN Cc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001708339 178060965 /nfs/dbraw/zinc/06/09/65/178060965.db2.gz KPDPGZNHKMJEFZ-UHFFFAOYSA-N 0 0 216.580 2.465 50 5 BEBARN Cc1cc(N2CCCC2=O)cc(C)c1[N+](=O)[O-] ZINC000008782298 178112115 /nfs/dbraw/zinc/11/21/15/178112115.db2.gz URSSDPBLVVXSCF-UHFFFAOYSA-N 0 0 234.255 2.338 50 5 BEBARN Cc1cc(OCc2ccnn2C)ccc1[N+](=O)[O-] ZINC000095452321 178213614 /nfs/dbraw/zinc/21/36/14/178213614.db2.gz AWFQATURLDHESM-UHFFFAOYSA-N 0 0 247.254 2.216 50 5 BEBARN CCN(CC1CC1)c1ccncc1[N+](=O)[O-] ZINC000069797831 169811594 /nfs/dbraw/zinc/81/15/94/169811594.db2.gz OGRPJZSEEOKKEJ-UHFFFAOYSA-N 0 0 221.260 2.226 50 5 BEBARN Cc1cc([N+](=O)[O-])c(N)cc1Br ZINC000004774447 178269864 /nfs/dbraw/zinc/26/98/64/178269864.db2.gz CEVXSOYABRHNEK-UHFFFAOYSA-N 0 0 231.049 2.248 50 5 BEBARN Cc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000003129771 178270108 /nfs/dbraw/zinc/27/01/08/178270108.db2.gz MFQAJZKHKQWDBK-UHFFFAOYSA-N 0 0 210.189 2.428 50 5 BEBARN Cc1cc2c(ncn2C)c([N+](=O)[O-])c1C ZINC000004051899 178292682 /nfs/dbraw/zinc/29/26/82/178292682.db2.gz OEKOACIXYOKHNS-UHFFFAOYSA-N 0 0 205.217 2.098 50 5 BEBARN Cc1cc([N+](=O)[O-])nn1-c1ccc(C)cc1 ZINC000057429465 178348795 /nfs/dbraw/zinc/34/87/95/178348795.db2.gz HETQCCXMSZZWIQ-UHFFFAOYSA-N 0 0 217.228 2.397 50 5 BEBARN CC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000000340728 342684167 /nfs/dbraw/zinc/68/41/67/342684167.db2.gz AGNNBHMFRWKZDG-UHFFFAOYSA-N 0 0 211.242 2.276 50 5 BEBARN O=[N+]([O-])c1ccc2c(c1)nnn2-c1ccccc1 ZINC000000369524 342685224 /nfs/dbraw/zinc/68/52/24/342685224.db2.gz FCKVYRYQUBHSSE-UHFFFAOYSA-N 0 0 240.222 2.329 50 5 BEBARN CC(C)CS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000216107721 342835273 /nfs/dbraw/zinc/83/52/73/342835273.db2.gz XABPPSCTALOECK-UHFFFAOYSA-N 0 0 243.284 2.025 50 5 BEBARN Nc1cc([N+](=O)[O-])c(Br)cc1F ZINC000016158671 342907268 /nfs/dbraw/zinc/90/72/68/342907268.db2.gz PDNZCDDWSKYNTE-UHFFFAOYSA-N 0 0 235.012 2.079 50 5 BEBARN C/C(N)=C/c1oc2ccc(O)cc2c1[N+](=O)[O-] ZINC000100353694 398334943 /nfs/dbraw/zinc/33/49/43/398334943.db2.gz DRTCYOFXPNSIAL-XQRVVYSFSA-N 0 0 234.211 2.366 50 5 BEBARN O=C(c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000000031327 344016591 /nfs/dbraw/zinc/01/65/91/344016591.db2.gz UKJABSZYPOTETA-UHFFFAOYSA-N 0 0 228.207 2.221 50 5 BEBARN Cc1nc(COc2cc(C)ccc2[N+](=O)[O-])no1 ZINC000030508969 343176931 /nfs/dbraw/zinc/17/69/31/343176931.db2.gz QQXJRLQFXZWIQD-UHFFFAOYSA-N 0 0 249.226 2.174 50 5 BEBARN O=[N+]([O-])c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000004687608 343954742 /nfs/dbraw/zinc/95/47/42/343954742.db2.gz UUSBBZCYYXEBJV-UHFFFAOYSA-N 0 0 223.188 2.077 50 5 BEBARN Cc1cc(C)n(-c2ccccc2[N+](=O)[O-])n1 ZINC000000040370 344060382 /nfs/dbraw/zinc/06/03/82/344060382.db2.gz QMZNMSDEDVOGRJ-UHFFFAOYSA-N 0 0 217.228 2.397 50 5 BEBARN O=[N+]([O-])c1cc(Br)cc2c1NCC2 ZINC000004806472 344265262 /nfs/dbraw/zinc/26/52/62/344265262.db2.gz VXKXMHDXFLFIFI-UHFFFAOYSA-N 0 0 243.060 2.325 50 5 BEBARN O=C1CCCC[C@H]1[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000000225049 344648065 /nfs/dbraw/zinc/64/80/65/344648065.db2.gz LWDGESCTOIIBJJ-DGCLKSJQSA-N 0 0 249.266 2.388 50 5 BEBARN O=C1CCCC[C@@H]1[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000000225047 344648185 /nfs/dbraw/zinc/64/81/85/344648185.db2.gz LWDGESCTOIIBJJ-WCQYABFASA-N 0 0 249.266 2.388 50 5 BEBARN O=[N+]([O-])c1cc2c(cc1C1CC1)OCCO2 ZINC000005567068 346254850 /nfs/dbraw/zinc/25/48/50/346254850.db2.gz UVPJTRFBGWTAHV-UHFFFAOYSA-N 0 0 221.212 2.243 50 5 BEBARN O=C(Oc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000005635132 346291591 /nfs/dbraw/zinc/29/15/91/346291591.db2.gz LBDLNJPNDCBTRK-UHFFFAOYSA-N 0 0 244.206 2.209 50 5 BEBARN Cc1ncc([N+](=O)[O-])n1Cc1ccccc1C ZINC000000170620 179292867 /nfs/dbraw/zinc/29/28/67/179292867.db2.gz UJKNTFSBMLXZKZ-UHFFFAOYSA-N 0 0 231.255 2.456 50 5 BEBARN Cc1cnc(OCC(C)C)c([N+](=O)[O-])c1 ZINC000176701889 179643911 /nfs/dbraw/zinc/64/39/11/179643911.db2.gz NSELILLZTWSJEG-UHFFFAOYSA-N 0 0 210.233 2.333 50 5 BEBARN COc1ccc([N+](=O)[O-])cc1-n1cccc1C=O ZINC000003676290 187411389 /nfs/dbraw/zinc/41/13/89/187411389.db2.gz LZFHPUYFYSICSO-UHFFFAOYSA-N 0 0 246.222 2.207 50 5 BEBARN Nc1cccc(Oc2ncccc2[N+](=O)[O-])c1 ZINC000038056524 349304353 /nfs/dbraw/zinc/30/43/53/349304353.db2.gz WHBCZXYGNFDGGX-UHFFFAOYSA-N 0 0 231.211 2.364 50 5 BEBARN Cc1ncc([N+](=O)[O-])n1Cc1ccc(F)cc1 ZINC000000170581 180176242 /nfs/dbraw/zinc/17/62/42/180176242.db2.gz KPUODRIBSUVWRA-UHFFFAOYSA-N 0 0 235.218 2.287 50 5 BEBARN CC(=O)Oc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000068590579 187441522 /nfs/dbraw/zinc/44/15/22/187441522.db2.gz NLJSQUWGZQAZDM-UHFFFAOYSA-N 0 0 220.184 2.001 50 5 BEBARN Cc1c(N)cc([N+](=O)[O-])cc1Br ZINC000014986270 350229460 /nfs/dbraw/zinc/22/94/60/350229460.db2.gz AORXQFQBVQILBL-UHFFFAOYSA-N 0 0 231.049 2.248 50 5 BEBARN Cc1noc(-c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000036379550 180459913 /nfs/dbraw/zinc/45/99/13/180459913.db2.gz RYMTUWLKBTZRLL-UHFFFAOYSA-N 0 0 219.200 2.262 50 5 BEBARN O=[N+]([O-])c1ccc2ncnc(Cl)c2c1 ZINC000038540034 362977593 /nfs/dbraw/zinc/97/75/93/362977593.db2.gz LZOSFEDULGODDH-UHFFFAOYSA-N 0 0 209.592 2.191 50 5 in-vitro BEBARN O=[N+]([O-])c1ccc(-c2nnc3ccccn32)cc1 ZINC000001057685 350995914 /nfs/dbraw/zinc/99/59/14/350995914.db2.gz WFJDABYYNJGGRK-UHFFFAOYSA-N 0 0 240.222 2.305 50 5 BEBARN CCOc1cc2c(cc1/C=C\[N+](=O)[O-])OCO2 ZINC000005900064 351293917 /nfs/dbraw/zinc/29/39/17/351293917.db2.gz HALSKFIBUKYWPL-ARJAWSKDSA-N 0 0 237.211 2.061 50 5 BEBARN COc1cc(F)c(F)c(F)c1[N+](=O)[O-] ZINC000015442567 352970796 /nfs/dbraw/zinc/97/07/96/352970796.db2.gz ZSOYSDLZDZGEFC-UHFFFAOYSA-N 0 0 207.107 2.021 50 5 BEBARN Cc1cc(Nc2ccc([N+](=O)[O-])c(C)n2)nn1C ZINC000091628621 188145390 /nfs/dbraw/zinc/14/53/90/188145390.db2.gz VUKGNMHNXNSQPI-UHFFFAOYSA-N 0 0 247.258 2.084 50 5 BEBARN O=[N+]([O-])c1nc[nH]c1C=Cc1ccccc1 ZINC000008615521 188458995 /nfs/dbraw/zinc/45/89/95/188458995.db2.gz QXGIKCKEMSLDCG-VOTSOKGWSA-N 0 0 215.212 2.488 50 5 BEBARN Cc1nc(COc2cccc([N+](=O)[O-])c2C)no1 ZINC000047355440 355684328 /nfs/dbraw/zinc/68/43/28/355684328.db2.gz KMJHFFKGXGFESB-UHFFFAOYSA-N 0 0 249.226 2.174 50 5 BEBARN O=[N+]([O-])c1ccc(Br)cc1 ZINC000001666827 357075540 /nfs/dbraw/zinc/07/55/40/357075540.db2.gz ZDFBKZUDCQQKAC-UHFFFAOYSA-N 0 0 202.007 2.357 50 5 BEBARN Cc1nc([N+](=O)[O-])cn1-c1ccccc1C ZINC000075249332 358098802 /nfs/dbraw/zinc/09/88/02/358098802.db2.gz KNTZRKSWCUMWPP-UHFFFAOYSA-N 0 0 217.228 2.397 50 5 BEBARN Cc1nn(C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000012396160 370863555 /nfs/dbraw/zinc/86/35/55/370863555.db2.gz FOEJCOYOXRZYDO-UHFFFAOYSA-N 0 0 220.232 2.229 50 5 BEBARN Cc1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000002388605 370370926 /nfs/dbraw/zinc/37/09/26/370370926.db2.gz LWRGNXGRIFXGAI-UHFFFAOYSA-N 0 0 217.228 2.148 50 5 BEBARN Cc1ccc(-c2ccc(C(N)=O)o2)c([N+](=O)[O-])c1 ZINC000020136253 371233548 /nfs/dbraw/zinc/23/35/48/371233548.db2.gz ZRGMUKXSWXEXHJ-UHFFFAOYSA-N 0 0 246.222 2.262 50 5 BEBARN O=[N+]([O-])c1c(NCC2CC2)nc2sccn21 ZINC000022157627 371522629 /nfs/dbraw/zinc/52/26/29/371522629.db2.gz FRMWLIBRIWMUCH-UHFFFAOYSA-N 0 0 238.272 2.126 50 5 BEBARN O=[N+]([O-])c1cccc(-c2ccnc3ccnn32)c1 ZINC000002552539 371579633 /nfs/dbraw/zinc/57/96/33/371579633.db2.gz OBBNCPWRLTWSHC-UHFFFAOYSA-N 0 0 240.222 2.305 50 5 BEBARN O=[N+]([O-])/C=C/c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002563279 371584592 /nfs/dbraw/zinc/58/45/92/371584592.db2.gz QPOWCZYBXJVQFJ-ONEGZZNKSA-N 0 0 228.591 2.496 50 5 BEBARN O=C1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC000031776626 372106144 /nfs/dbraw/zinc/10/61/44/372106144.db2.gz YQPLEYWTKAXWAD-UHFFFAOYSA-N 0 0 205.213 2.043 50 5 BEBARN CCCCCCOC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000003833185 372073615 /nfs/dbraw/zinc/07/36/15/372073615.db2.gz HKILIXLHNBIKEE-UHFFFAOYSA-N 0 0 241.247 2.055 50 5 BEBARN O=[N+]([O-])c1ccc2c(Br)[nH]nc2c1 ZINC000008730189 372861768 /nfs/dbraw/zinc/86/17/68/372861768.db2.gz JUKJZBGTZKOXPG-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN O=C(NC1CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000452709 182099725 /nfs/dbraw/zinc/09/97/25/182099725.db2.gz ZUWRELJOMFUPGP-UHFFFAOYSA-N 0 0 240.646 2.140 50 5 BEBARN Cc1ccc(C2OCCCO2)cc1[N+](=O)[O-] ZINC000040544872 373460304 /nfs/dbraw/zinc/46/03/04/373460304.db2.gz QJMKPANLTSOQMV-UHFFFAOYSA-N 0 0 223.228 2.339 50 5 BEBARN O=C(NCC1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000025237557 182139336 /nfs/dbraw/zinc/13/93/36/182139336.db2.gz IENTVMPQALJJHW-UHFFFAOYSA-N 0 0 235.243 2.126 50 5 BEBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CC1 ZINC000000476873 182355507 /nfs/dbraw/zinc/35/55/07/182355507.db2.gz PTAGFRXMENSJHW-UHFFFAOYSA-N 0 0 224.191 2.082 50 5 BEBARN O=[N+]([O-])c1cccnc1Nc1ccc(O)cc1 ZINC000020324471 182953803 /nfs/dbraw/zinc/95/38/03/182953803.db2.gz JXFQQBURVUFYSH-UHFFFAOYSA-N 0 0 231.211 2.439 50 5 BEBARN O=c1[nH]c2cc(Cl)c([N+](=O)[O-])c(Cl)c2o1 ZINC000040545781 182973624 /nfs/dbraw/zinc/97/36/24/182973624.db2.gz QVIKFUAGDIVSST-UHFFFAOYSA-N 0 0 249.009 2.336 50 5 BEBARN O=c1c2cc(O)ccc2oc2ccc(O)cc21 ZINC000004159394 182988107 /nfs/dbraw/zinc/98/81/07/182988107.db2.gz JXMFQSCZNDSWSX-UHFFFAOYSA-N 0 0 228.203 2.357 50 5 BEBARN CCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000034897665 169212594 /nfs/dbraw/zinc/21/25/94/169212594.db2.gz RRNLAXAPPRFCFQ-SREVYHEPSA-N 0 0 234.255 2.134 50 5 BEBARN CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000005468520 169212907 /nfs/dbraw/zinc/21/29/07/169212907.db2.gz RRNLAXAPPRFCFQ-VOTSOKGWSA-N 0 0 234.255 2.134 50 5 BEBARN c1cc2nnc3cccc4nnc(c1)c2c34 ZINC000001704361 183377165 /nfs/dbraw/zinc/37/71/65/183377165.db2.gz KBGLLTZFGISMPR-UHFFFAOYSA-N 0 0 206.208 2.164 50 5 BEBARN CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000002081062 169251696 /nfs/dbraw/zinc/25/16/96/169251696.db2.gz VYPTYDHSTXQSOK-UHFFFAOYSA-N 0 0 222.244 2.043 50 5 BEBARN CC1(C)COC(c2cccc([N+](=O)[O-])c2)=N1 ZINC000000193026 383894580 /nfs/dbraw/zinc/89/45/80/383894580.db2.gz QIAYGYJTXPWMBQ-UHFFFAOYSA-N 0 0 220.228 2.150 50 5 BEBARN COC(=O)c1cc([N+](=O)[O-])ccc1NC(C)C ZINC000043827551 383986591 /nfs/dbraw/zinc/98/65/91/383986591.db2.gz LQCMEDRULJWVFO-UHFFFAOYSA-N 0 0 238.243 2.202 50 5 BEBARN C[C@H]1Oc2ccc([N+](=O)[O-])cc2O[C@H](C)O1 ZINC000000345575 384082075 /nfs/dbraw/zinc/08/20/75/384082075.db2.gz NQNONZOFJVHECQ-RNFRBKRXSA-N 0 0 225.200 2.075 50 5 BEBARN O=[N+]([O-])c1ccc(-c2nc3c(cccc3O)[nH]2)o1 ZINC000097463340 384218233 /nfs/dbraw/zinc/21/82/33/384218233.db2.gz HFJUERGXXSMFHV-UHFFFAOYSA-N 0 0 245.194 2.437 50 5 BEBARN CC(Nc1ccc([N+](=O)[O-])cc1)=C1CCOC1=O ZINC000004334923 384281464 /nfs/dbraw/zinc/28/14/64/384281464.db2.gz XVMAPDRVXCHPMM-DHZHZOJOSA-N 0 0 248.238 2.228 50 5 BEBARN O=[N+]([O-])c1ccc(OC2CCCC2)nc1F ZINC000261494002 384332852 /nfs/dbraw/zinc/33/28/52/384332852.db2.gz NWNVGMIYCXTKRQ-UHFFFAOYSA-N 0 0 226.207 2.450 50 5 BEBARN CNc1c([N+](=O)[O-])cnn1-c1ccc(C)cc1 ZINC000005218342 384706871 /nfs/dbraw/zinc/70/68/71/384706871.db2.gz LBICDZLPOYIPOY-UHFFFAOYSA-N 0 0 232.243 2.131 50 5 BEBARN COc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000095093074 384820392 /nfs/dbraw/zinc/82/03/92/384820392.db2.gz HEKASLCSFSEZAP-UHFFFAOYSA-N 0 0 222.122 2.017 50 5 BEBARN CCc1nccn1-c1ccc([N+](=O)[O-])cc1F ZINC000072334128 384978931 /nfs/dbraw/zinc/97/89/31/384978931.db2.gz DVTCTEHRUARPAB-UHFFFAOYSA-N 0 0 235.218 2.482 50 5 BEBARN O=[N+]([O-])c1ccnc(Oc2ccncc2)c1 ZINC000263622996 385009605 /nfs/dbraw/zinc/00/96/05/385009605.db2.gz CTDONDSHUUBZNF-UHFFFAOYSA-N 0 0 217.184 2.177 50 5 BEBARN CCOc1cc([N+](=O)[O-])cc(F)c1F ZINC000263624692 385009762 /nfs/dbraw/zinc/00/97/62/385009762.db2.gz SRJQTXJGGQJRNZ-UHFFFAOYSA-N 0 0 203.144 2.272 50 5 BEBARN O=[N+]([O-])c1ccc(F)c(F)c1OC(F)F ZINC000095215447 385683066 /nfs/dbraw/zinc/68/30/66/385683066.db2.gz LUDLBDDNEVIJJC-UHFFFAOYSA-N 0 0 225.097 2.474 50 5 BEBARN CC(=O)c1cc(F)c(F)c([N+](=O)[O-])c1 ZINC000258134489 385775481 /nfs/dbraw/zinc/77/54/81/385775481.db2.gz NHVPEPDSYDNELH-UHFFFAOYSA-N 0 0 201.128 2.076 50 5 BEBARN O=[N+]([O-])c1ccc(/C=C\c2csnn2)nc1 ZINC000222089944 385881907 /nfs/dbraw/zinc/88/19/07/385881907.db2.gz UVMPWYZSUWOQDV-UPHRSURJSA-N 0 0 234.240 2.012 50 5 BEBARN CC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004016095 386191583 /nfs/dbraw/zinc/19/15/83/386191583.db2.gz BXRDRYLJKVRXHE-UHFFFAOYSA-N 0 0 208.217 2.189 50 5 BEBARN CNc1c(C)cc2ncccc2c1[N+](=O)[O-] ZINC000006044192 386984179 /nfs/dbraw/zinc/98/41/79/386984179.db2.gz NMAKNHMEWSMOBG-UHFFFAOYSA-N 0 0 217.228 2.493 50 5 in-vitro BEBARN CCOCCOc1ccc([N+](=O)[O-])cc1 ZINC000002030298 387299350 /nfs/dbraw/zinc/29/93/50/387299350.db2.gz VAJZECWEVORKHT-UHFFFAOYSA-N 0 0 211.217 2.010 50 5 BEBARN O=[N+]([O-])c1ccncc1N1CCCC(F)(F)C1 ZINC000169725781 387974366 /nfs/dbraw/zinc/97/43/66/387974366.db2.gz APKZTQZMZZRFFW-UHFFFAOYSA-N 0 0 243.213 2.225 50 5 BEBARN O=[N+]([O-])c1cc(F)ccc1N1CCSC1 ZINC000169725310 387975057 /nfs/dbraw/zinc/97/50/57/387975057.db2.gz OYSVOBSBWDEWND-UHFFFAOYSA-N 0 0 228.248 2.245 50 5 BEBARN Cc1noc(-c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000036379531 388020014 /nfs/dbraw/zinc/02/00/14/388020014.db2.gz USPMRIWEEJXOOE-UHFFFAOYSA-N 0 0 219.200 2.262 50 5 BEBARN CC(C)([N+](=O)[O-])C1([N+](=O)[O-])CCCCC1 ZINC000003070206 388363069 /nfs/dbraw/zinc/36/30/69/388363069.db2.gz QALATMOYKCXAIM-UHFFFAOYSA-N 0 0 216.237 2.021 50 5 BEBARN Cc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)no1 ZINC000004131011 388391991 /nfs/dbraw/zinc/39/19/91/388391991.db2.gz PMFNKUVWSSGKPX-UHFFFAOYSA-N 0 0 247.210 2.144 50 5 BEBARN COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000038876674 388406535 /nfs/dbraw/zinc/40/65/35/388406535.db2.gz FMFPOZLVAJOEHS-UHFFFAOYSA-N 0 0 221.168 2.128 50 5 BEBARN CNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000032297494 388395124 /nfs/dbraw/zinc/39/51/24/388395124.db2.gz JMSNXQWUGURTSO-UHFFFAOYSA-N 0 0 209.230 2.246 50 5 BEBARN O=[N+]([O-])c1ccc(N2CC(F)(F)C2)c(F)c1 ZINC000090557841 388401692 /nfs/dbraw/zinc/40/16/92/388401692.db2.gz JYISOWSIMSVXSV-UHFFFAOYSA-N 0 0 232.161 2.189 50 5 BEBARN O=Cc1ccc(N2CCCC2)cc1[N+](=O)[O-] ZINC000095081118 388757909 /nfs/dbraw/zinc/75/79/09/388757909.db2.gz IELJNRJZBIFVFW-UHFFFAOYSA-N 0 0 220.228 2.008 50 5 BEBARN COC(=O)c1cc2c([nH]1)c([N+](=O)[O-])ccc2C ZINC000095830374 388788274 /nfs/dbraw/zinc/78/82/74/388788274.db2.gz LYRMZXFSKCGQAD-UHFFFAOYSA-N 0 0 234.211 2.171 50 5 BEBARN CC(=O)c1cc([N+](=O)[O-])cc(F)c1F ZINC000095929570 388789558 /nfs/dbraw/zinc/78/95/58/388789558.db2.gz PLTMHFLCEOZGLP-UHFFFAOYSA-N 0 0 201.128 2.076 50 5 BEBARN Cc1c(/C=C/c2ccc([N+](=O)[O-])cn2)cnn1C ZINC000097021610 388830045 /nfs/dbraw/zinc/83/00/45/388830045.db2.gz KKQHAKXRRHRHRI-ONEGZZNKSA-N 0 0 244.254 2.202 50 5 BEBARN O=[N+]([O-])c1ccc(N2CCOCC2)cc1Cl ZINC000005799227 132317940 /nfs/dbraw/zinc/31/79/40/132317940.db2.gz HFTBJOHDKIVTSQ-UHFFFAOYSA-N 0 0 242.662 2.085 50 5 BEBARN CCN1c2ccc([N+](=O)[O-])cc2C[C@H]1C ZINC000071774308 170041365 /nfs/dbraw/zinc/04/13/65/170041365.db2.gz XSWGZWBYNSMUIM-MRVPVSSYSA-N 0 0 206.245 2.366 50 5 BEBARN CCOC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000037330629 170237554 /nfs/dbraw/zinc/23/75/54/170237554.db2.gz WZZYPIGFBQMUAT-UHFFFAOYSA-N 0 0 248.238 2.113 50 5 BEBARN CC[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000002745245 171337040 /nfs/dbraw/zinc/33/70/40/171337040.db2.gz NYTBNNHPQVULBM-VIFPVBQESA-N 0 0 236.271 2.432 50 5 BEBARN COC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000000375587 173662297 /nfs/dbraw/zinc/66/22/97/173662297.db2.gz LBOMLFVUWZSOJN-UHFFFAOYSA-N 0 0 210.189 2.082 50 5 BEBARN COCCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000082238980 174369515 /nfs/dbraw/zinc/36/95/15/174369515.db2.gz GXVIPPWYIXCSND-UHFFFAOYSA-N 0 0 231.635 2.273 50 5 BEBARN COCCSc1ccc(F)cc1[N+](=O)[O-] ZINC000096436771 174376733 /nfs/dbraw/zinc/37/67/33/174376733.db2.gz AFHUIFBPMOCMRX-UHFFFAOYSA-N 0 0 231.248 2.472 50 5 BEBARN COCCSc1ncc([N+](=O)[O-])cc1Cl ZINC000089420247 174377858 /nfs/dbraw/zinc/37/78/58/174377858.db2.gz JPQCFFUEZZFLBW-UHFFFAOYSA-N 0 0 248.691 2.382 50 5 BEBARN COc1cc(/C=C/[N+](=O)[O-])c2c(c1)CCCO2 ZINC000004136050 174941724 /nfs/dbraw/zinc/94/17/24/174941724.db2.gz XJEDKUDCOCOTSY-SNAWJCMRSA-N 0 0 235.239 2.268 50 5 BEBARN COc1cc([N+](=O)[O-])ccc1-n1cccc1C=O ZINC000002582729 175018035 /nfs/dbraw/zinc/01/80/35/175018035.db2.gz IWNJMRJOVNSYHZ-UHFFFAOYSA-N 0 0 246.222 2.207 50 5 BEBARN COc1ccc(CC(C)(C)[N+](=O)[O-])cc1 ZINC000096180984 175087976 /nfs/dbraw/zinc/08/79/76/175087976.db2.gz XOMDMKZXUTVKMM-UHFFFAOYSA-N 0 0 209.245 2.293 50 5 BEBARN COc1ccc2cc([N+](=O)[O-])cnc2c1 ZINC000000235912 175225658 /nfs/dbraw/zinc/22/56/58/175225658.db2.gz HVGPUJMRYVXJMW-UHFFFAOYSA-N 0 0 204.185 2.152 50 5 BEBARN COc1ccc2onc(C)c2c1[N+](=O)[O-] ZINC000221683264 175231912 /nfs/dbraw/zinc/23/19/12/175231912.db2.gz LEZMSQWXQRQOKW-UHFFFAOYSA-N 0 0 208.173 2.053 50 5 BEBARN COc1cccc(C(=O)OC(C)C)c1[N+](=O)[O-] ZINC000193035731 175246300 /nfs/dbraw/zinc/24/63/00/175246300.db2.gz LHLWGVXUQICWCU-UHFFFAOYSA-N 0 0 239.227 2.169 50 5 BEBARN COc1cccc(Cn2c(C)ncc2[N+](=O)[O-])c1 ZINC000000818864 175273638 /nfs/dbraw/zinc/27/36/38/175273638.db2.gz ARVJECCBRGWVKU-UHFFFAOYSA-N 0 0 247.254 2.157 50 5 BEBARN COc1cccc(OC(C)C)c1[N+](=O)[O-] ZINC000238383209 175281087 /nfs/dbraw/zinc/28/10/87/175281087.db2.gz ZLTLCUWEBIXRDR-UHFFFAOYSA-N 0 0 211.217 2.391 50 5 BEBARN C[C@@H]1CCO[C@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000000284522 176192846 /nfs/dbraw/zinc/19/28/46/176192846.db2.gz POWZYXIYDYGNMD-KCJUWKMLSA-N 0 0 223.228 2.419 50 5 BEBARN C[C@@H]1C[C@@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1 ZINC000097021271 176384492 /nfs/dbraw/zinc/38/44/92/176384492.db2.gz FQJXQCYXIHCFHX-KCJUWKMLSA-N 0 0 234.255 2.214 50 5 BEBARN C[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000000209407 177073739 /nfs/dbraw/zinc/07/37/39/177073739.db2.gz LFEHWENPAZXMSC-QMMMGPOBSA-N 0 0 238.243 2.202 50 5 BEBARN C[C@H]1CCC[C@H](CCn2cnc([N+](=O)[O-])n2)C1 ZINC000252480878 177132996 /nfs/dbraw/zinc/13/29/96/177132996.db2.gz CFRLVHVKGMZKSC-VHSXEESVSA-N 0 0 238.291 2.403 50 5 BEBARN C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1CC1 ZINC000071799873 177389073 /nfs/dbraw/zinc/38/90/73/177389073.db2.gz PDEJYRXQSOIYTM-QMMMGPOBSA-N 0 0 246.266 2.282 50 5 BEBARN CS[C@@H](C)CNc1ncc([N+](=O)[O-])cc1C ZINC000092687799 488100715 /nfs/dbraw/zinc/10/07/15/488100715.db2.gz HFSCIFKJWUSBDM-QMMMGPOBSA-N 0 0 241.316 2.462 50 5 BEBARN c1ccc2nc3cc4n[nH]nc4cc3nc2c1 ZINC000019790406 643047325 /nfs/dbraw/zinc/04/73/25/643047325.db2.gz CTTFAZWLYOYEEZ-UHFFFAOYSA-N 0 0 221.223 2.054 50 5 BEBARN Cc1cc(C)nc(Oc2cccnc2[N+](=O)[O-])n1 ZINC000036392001 177949009 /nfs/dbraw/zinc/94/90/09/177949009.db2.gz OBAKKZAKARQSBB-UHFFFAOYSA-N 0 0 246.226 2.189 50 5 BEBARN Cc1cc(COc2cccc([N+](=O)[O-])c2)no1 ZINC000058077537 178049182 /nfs/dbraw/zinc/04/91/82/178049182.db2.gz JEOOBNITTCAGLM-UHFFFAOYSA-N 0 0 234.211 2.470 50 5 BEBARN Cc1cc(N[C@H](C)CO)c(Cl)cc1[N+](=O)[O-] ZINC000096452676 178185826 /nfs/dbraw/zinc/18/58/26/178185826.db2.gz OOZXGFUSHCJNBM-SSDOTTSWSA-N 0 0 244.678 2.349 50 5 BEBARN Cc1cc2nc3ccc(=O)cc-3[nH]c2cc1N ZINC000005419715 178303960 /nfs/dbraw/zinc/30/39/60/178303960.db2.gz KWBJTBKOXIZLGY-UHFFFAOYSA-N 0 0 225.251 2.379 50 5 BEBARN CCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000000491999 346857218 /nfs/dbraw/zinc/85/72/18/346857218.db2.gz OYQSIJVVPJPZRQ-UHFFFAOYSA-N 0 0 238.243 2.342 50 5 BEBARN CCN(CC)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001732355 342711503 /nfs/dbraw/zinc/71/15/03/342711503.db2.gz MGLQHMGZCTZIJT-UHFFFAOYSA-N 0 0 237.259 2.469 50 5 BEBARN Cc1ccc2nc3nc(N)ncc3cc2c1 ZINC000012404968 342851582 /nfs/dbraw/zinc/85/15/82/342851582.db2.gz CTAXJSZVFCEJKB-UHFFFAOYSA-N 0 0 210.240 2.069 50 5 BEBARN O=[N+]([O-])c1cnn(Cc2ccc(F)cc2F)c1 ZINC000071978663 398327090 /nfs/dbraw/zinc/32/70/90/398327090.db2.gz CWHFTTJOYAXWOZ-UHFFFAOYSA-N 0 0 239.181 2.118 50 5 BEBARN O=[N+]([O-])c1cccc(-c2ncnc(Cl)n2)c1 ZINC000043220540 343008419 /nfs/dbraw/zinc/00/84/19/343008419.db2.gz XKTNKDXCEGXHEA-UHFFFAOYSA-N 0 0 236.618 2.100 50 5 BEBARN CCOC(=O)c1cc2c(cccc2[N+](=O)[O-])cn1 ZINC000220002644 343239637 /nfs/dbraw/zinc/23/96/37/343239637.db2.gz JZWBVUYNXZRAIM-UHFFFAOYSA-N 0 0 246.222 2.320 50 5 BEBARN CCCCSc1ncc([N+](=O)[O-])cn1 ZINC000261493432 343499844 /nfs/dbraw/zinc/49/98/44/343499844.db2.gz AYOATEJFRFALDW-UHFFFAOYSA-N 0 0 213.262 2.277 50 5 BEBARN O=[N+]([O-])c1ccc(Cl)nc1Br ZINC000022007434 343870396 /nfs/dbraw/zinc/87/03/96/343870396.db2.gz WISCKHBEOBONJA-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 BEBARN CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004726887 343975431 /nfs/dbraw/zinc/97/54/31/343975431.db2.gz NQWMXRNYYFMIIL-MRVPVSSYSA-N 0 0 222.244 2.123 50 5 BEBARN O=[N+]([O-])c1ccc(-c2ccc(CO)o2)cc1 ZINC000000056986 344097523 /nfs/dbraw/zinc/09/75/23/344097523.db2.gz SRCRGLMTENDDRR-UHFFFAOYSA-N 0 0 219.196 2.347 50 5 BEBARN Nc1nc(Cc2cccc([N+](=O)[O-])c2)cs1 ZINC000000054019 344101606 /nfs/dbraw/zinc/10/16/06/344101606.db2.gz ZVYPFOSTZNZAKC-UHFFFAOYSA-N 0 0 235.268 2.224 50 5 BEBARN Cc1ccc(CNc2ncccn2)cc1[N+](=O)[O-] ZINC000170603089 178642283 /nfs/dbraw/zinc/64/22/83/178642283.db2.gz OATWSAICCNTMLN-UHFFFAOYSA-N 0 0 244.254 2.305 50 5 BEBARN Cn1c(=O)c([N+](=O)[O-])c(Cl)c2ccccc21 ZINC000000083518 344244979 /nfs/dbraw/zinc/24/49/79/344244979.db2.gz KPDOVJBEKCRATD-UHFFFAOYSA-N 0 0 238.630 2.100 50 5 biogenic,in-vitro BEBARN CCOC(=O)CCc1ccccc1[N+](=O)[O-] ZINC000106490660 344475850 /nfs/dbraw/zinc/47/58/50/344475850.db2.gz NXPDBIQALSQRCP-UHFFFAOYSA-N 0 0 223.228 2.091 50 5 BEBARN CCN(CC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000284808 344675155 /nfs/dbraw/zinc/67/51/55/344675155.db2.gz DZGWDTGQPGOIMJ-UHFFFAOYSA-N 0 0 236.271 2.385 50 5 BEBARN Cc1cc(C(=O)NC(C)C)ccc1[N+](=O)[O-] ZINC000000284811 344675166 /nfs/dbraw/zinc/67/51/66/344675166.db2.gz GXBHGDDFHQVUIA-UHFFFAOYSA-N 0 0 222.244 2.041 50 5 BEBARN O=[N+]([O-])c1ccc(-n2cnc3ccccc32)nc1 ZINC000000300240 344682796 /nfs/dbraw/zinc/68/27/96/344682796.db2.gz DVYIACQXMUFTJQ-UHFFFAOYSA-N 0 0 240.222 2.329 50 5 BEBARN CC(=O)Nc1nc2cc([N+](=O)[O-])ccc2s1 ZINC000000328276 344699917 /nfs/dbraw/zinc/69/99/17/344699917.db2.gz IZHZYVFQTCKCDH-UHFFFAOYSA-N 0 0 237.240 2.163 50 5 BEBARN O=[N+]([O-])c1ccc2nc(Cl)cnc2c1 ZINC000000353576 344718270 /nfs/dbraw/zinc/71/82/70/344718270.db2.gz QVWIAHPYYLBQFI-UHFFFAOYSA-N 0 0 209.592 2.191 50 5 BEBARN Cc1ccc(Oc2ncccn2)cc1[N+](=O)[O-] ZINC000095974618 178821809 /nfs/dbraw/zinc/82/18/09/178821809.db2.gz AIXVWIMAKAKWJH-UHFFFAOYSA-N 0 0 231.211 2.486 50 5 BEBARN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(C)(=O)=O ZINC000097047743 178933055 /nfs/dbraw/zinc/93/30/55/178933055.db2.gz VTCJFPLKWHPYMM-MRVPVSSYSA-N 0 0 243.284 2.009 50 5 BEBARN Cc1ccc([N+](=O)[O-])c(C(=O)OCC(F)F)c1 ZINC000078948103 345883777 /nfs/dbraw/zinc/88/37/77/345883777.db2.gz HACFTXQNPJHZIV-UHFFFAOYSA-N 0 0 245.181 2.325 50 5 BEBARN Cc1cccc(C(=O)NC(C)C)c1[N+](=O)[O-] ZINC000000465228 179014194 /nfs/dbraw/zinc/01/41/94/179014194.db2.gz ZNZJTSGMNMHUOB-UHFFFAOYSA-N 0 0 222.244 2.041 50 5 BEBARN Cc1cccc([N+](=O)[O-])c1NCCn1cccn1 ZINC000108945312 179206066 /nfs/dbraw/zinc/20/60/66/179206066.db2.gz OSWVHUIGTAKWOQ-UHFFFAOYSA-N 0 0 246.270 2.212 50 5 BEBARN Cc1cccc([N+](=O)[O-])c1NC(=O)C(C)C ZINC000066089484 179206721 /nfs/dbraw/zinc/20/67/21/179206721.db2.gz MZUVGMYEWBVWFS-UHFFFAOYSA-N 0 0 222.244 2.498 50 5 BEBARN COc1cc([N+](=O)[O-])cc(Cl)c1OC ZINC000039276709 347390675 /nfs/dbraw/zinc/39/06/75/347390675.db2.gz MXBYAURLPFCFCS-UHFFFAOYSA-N 0 0 217.608 2.265 50 5 BEBARN Cc1ccccc1Oc1ncnc(N)c1[N+](=O)[O-] ZINC000003912740 179313740 /nfs/dbraw/zinc/31/37/40/179313740.db2.gz DXZKKIZONUPOBH-UHFFFAOYSA-N 0 0 246.226 2.068 50 5 BEBARN Cn1c2ccccc2c(=O)c2c(O)cccc21 ZINC000006523722 349295049 /nfs/dbraw/zinc/29/50/49/349295049.db2.gz NHYDBJFGZCQFEO-UHFFFAOYSA-N 0 0 225.247 2.397 50 5 endogenous,in-man BEBARN CC1N=C([N+](=O)[O-])C(=S)N1Cc1ccccc1 ZINC000000346713 180059130 /nfs/dbraw/zinc/05/91/30/180059130.db2.gz GTSWPHUJSXCMCA-UHFFFAOYSA-N 0 0 249.295 2.437 50 5 BEBARN Cc1nc([N+](=O)[O-])c(N2CCCCCC2)n1C ZINC000058413231 180060381 /nfs/dbraw/zinc/06/03/81/180060381.db2.gz ZELQGLGEBPSAOF-UHFFFAOYSA-N 0 0 238.291 2.017 50 5 BEBARN Cc1ncc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000000209515 180121972 /nfs/dbraw/zinc/12/19/72/180121972.db2.gz MTXLZDFMPALDDA-UHFFFAOYSA-N 0 0 215.212 2.360 50 5 BEBARN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=O ZINC000026509826 180328478 /nfs/dbraw/zinc/32/84/78/180328478.db2.gz QVFDNLRMOAFEPM-UHFFFAOYSA-N 0 0 245.238 2.210 50 5 BEBARN Cc1nn(-c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000000300939 180330369 /nfs/dbraw/zinc/33/03/69/180330369.db2.gz GAAJJXYPIYFOGE-UHFFFAOYSA-N 0 0 217.228 2.397 50 5 BEBARN Cc1nn(C)c(C)c1Nc1ncccc1[N+](=O)[O-] ZINC000007039893 180345457 /nfs/dbraw/zinc/34/54/57/180345457.db2.gz UVURNBRXKKNNIT-UHFFFAOYSA-N 0 0 247.258 2.084 50 5 BEBARN O=[N+]([O-])c1nc(Br)ccc1Cl ZINC000238586530 187841227 /nfs/dbraw/zinc/84/12/27/187841227.db2.gz SIHUBOUXEKQVOS-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 BEBARN O=Cc1ccc2ccc3ccc(C=O)nc3c2n1 ZINC000000218307 188099965 /nfs/dbraw/zinc/09/99/65/188099965.db2.gz RHXOPVFYZBGQGA-UHFFFAOYSA-N 0 0 236.230 2.408 50 5 BEBARN CCOC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000016892135 188106848 /nfs/dbraw/zinc/10/68/48/188106848.db2.gz QZEPRSLOWNHADS-SREVYHEPSA-N 0 0 221.212 2.171 50 5 BEBARN CC(=O)Nc1c(C)ccc(C)c1[N+](=O)[O-] ZINC000096316038 188500653 /nfs/dbraw/zinc/50/06/53/188500653.db2.gz BGJRFFYDQCNGBQ-UHFFFAOYSA-N 0 0 208.217 2.170 50 5 BEBARN COc1c(Cl)cc(F)cc1[N+](=O)[O-] ZINC000224282630 358994707 /nfs/dbraw/zinc/99/47/07/358994707.db2.gz NMCWMIGHSOLVAJ-UHFFFAOYSA-N 0 0 205.572 2.396 50 5 BEBARN CC[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000006596322 360383907 /nfs/dbraw/zinc/38/39/07/360383907.db2.gz YEZILAHNFXTIFO-SECBINFHSA-N 0 0 236.271 2.052 50 5 BEBARN O=[N+]([O-])c1ncccc1OCCC(F)(F)F ZINC000071810201 200660398 /nfs/dbraw/zinc/66/03/98/200660398.db2.gz HXBKWYLESFBHEC-UHFFFAOYSA-N 0 0 236.149 2.321 50 5 BEBARN CC(=O)Cc1oc2ccc(O)cc2c1[N+](=O)[O-] ZINC000001227172 367656943 /nfs/dbraw/zinc/65/69/43/367656943.db2.gz YDPJUNQLJIOTCN-UHFFFAOYSA-N 0 0 235.195 2.178 50 5 BEBARN CCCOc1cc([N+](=O)[O-])ccc1OC ZINC000057543976 368379980 /nfs/dbraw/zinc/37/99/80/368379980.db2.gz WRVKWDXNFSAJLZ-UHFFFAOYSA-N 0 0 211.217 2.392 50 5 BEBARN CCCCN(C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000020428691 371280759 /nfs/dbraw/zinc/28/07/59/371280759.db2.gz JLOMLPFEEAROFD-UHFFFAOYSA-N 0 0 236.271 2.467 50 5 BEBARN Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000000355104 181690157 /nfs/dbraw/zinc/69/01/57/181690157.db2.gz GAUUCMLQGPSJKA-UHFFFAOYSA-N 0 0 236.149 2.118 50 5 aggregator BEBARN Nc1ccc([C@@H]2CCCCC2=O)c([N+](=O)[O-])c1 ZINC000003051860 371856738 /nfs/dbraw/zinc/85/67/38/371856738.db2.gz QZHKTEYWYFODAD-JTQLQIEISA-N 0 0 234.255 2.404 50 5 BEBARN O=[N+]([O-])c1cnc2cc(-c3ccccc3)nn2c1 ZINC000040216522 373117665 /nfs/dbraw/zinc/11/76/65/373117665.db2.gz VYIMEGRVPYLOTH-UHFFFAOYSA-N 0 0 240.222 2.305 50 5 BEBARN O=C(NCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000000101945 182263111 /nfs/dbraw/zinc/26/31/11/182263111.db2.gz JPHKHMWMYZLRQR-UHFFFAOYSA-N 0 0 246.222 2.118 50 5 BEBARN O=C(Nc1ccccc1O)c1ccc([N+](=O)[O-])o1 ZINC000000368762 182381191 /nfs/dbraw/zinc/38/11/91/182381191.db2.gz OTRRIVGGYCGGQO-UHFFFAOYSA-N 0 0 248.194 2.146 50 5 BEBARN O=C(Nc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000000043538 182384837 /nfs/dbraw/zinc/38/48/37/182384837.db2.gz PTYIYRPPHKUIQT-UHFFFAOYSA-N 0 0 243.222 2.242 50 5 BEBARN O=C(Oc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000000243335 182608994 /nfs/dbraw/zinc/60/89/94/182608994.db2.gz BWQMHXZQLQJRDE-UHFFFAOYSA-N 0 0 233.179 2.407 50 5 BEBARN O=Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000002548211 182866615 /nfs/dbraw/zinc/86/66/15/182866615.db2.gz YWJKCPJLZJWAGV-UHFFFAOYSA-N 0 0 219.118 2.426 50 5 BEBARN O=[N+]([O-])c1cc(F)ccc1OCC(F)F ZINC000072209421 182924876 /nfs/dbraw/zinc/92/48/76/182924876.db2.gz PUCPQLAHYTYVJO-UHFFFAOYSA-N 0 0 221.134 2.378 50 5 BEBARN O=[N+]([O-])c1ccc(-c2csc(CO)n2)cc1 ZINC000000076806 182925748 /nfs/dbraw/zinc/92/57/48/182925748.db2.gz FKDWIHQAMLSHBX-UHFFFAOYSA-N 0 0 236.252 2.211 50 5 BEBARN O=[N+]([O-])c1ccc(Oc2cccnc2)nc1 ZINC000000092642 182938660 /nfs/dbraw/zinc/93/86/60/182938660.db2.gz HFQSZQIHXXVQGG-UHFFFAOYSA-N 0 0 217.184 2.177 50 5 BEBARN O=[N+]([O-])c1cscc1Br ZINC000196479085 182961068 /nfs/dbraw/zinc/96/10/68/182961068.db2.gz YRUMNUXQDRKYLW-UHFFFAOYSA-N 0 0 208.036 2.419 50 5 BEBARN O=[N+]([O-])c1cnc(Br)c(Cl)c1 ZINC000014982223 182956792 /nfs/dbraw/zinc/95/67/92/182956792.db2.gz VDVNBTTZUJOHJZ-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 BEBARN CCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000002493991 169251663 /nfs/dbraw/zinc/25/16/63/169251663.db2.gz AAVWYCNZVDPHJK-UHFFFAOYSA-N 0 0 222.244 2.043 50 5 BEBARN CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000004839449 169251811 /nfs/dbraw/zinc/25/18/11/169251811.db2.gz GGCSULIHUASPSP-UHFFFAOYSA-N 0 0 242.662 2.388 50 5 BEBARN CCCOc1ccc([N+](=O)[O-])c(NC)c1 ZINC000095496099 169322250 /nfs/dbraw/zinc/32/22/50/169322250.db2.gz TXAKVAMJZKEMRU-UHFFFAOYSA-N 0 0 210.233 2.425 50 5 BEBARN CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004794214 383961399 /nfs/dbraw/zinc/96/13/99/383961399.db2.gz IDJZFSUYBCKOCP-UHFFFAOYSA-N 0 0 208.217 2.252 50 5 BEBARN O=Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000000319744 384041431 /nfs/dbraw/zinc/04/14/31/384041431.db2.gz SAFSVELFSYQXOV-UHFFFAOYSA-N 0 0 230.017 2.170 50 5 BEBARN C[C@@H]1Oc2cc([N+](=O)[O-])ccc2O[C@H](C)O1 ZINC000000345572 384081375 /nfs/dbraw/zinc/08/13/75/384081375.db2.gz NQNONZOFJVHECQ-RQJHMYQMSA-N 0 0 225.200 2.075 50 5 BEBARN CN(C)c1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000091695398 384139999 /nfs/dbraw/zinc/13/99/99/384139999.db2.gz APCJOHPBHMWDDU-UHFFFAOYSA-N 0 0 235.165 2.075 50 5 BEBARN CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000033012206 384264704 /nfs/dbraw/zinc/26/47/04/384264704.db2.gz FIOJPKZRKYTRSJ-ZETCQYMHSA-N 0 0 244.678 2.431 50 5 BEBARN CC1(C)CCC(C)(C)[C@H](C[N+](=O)[O-])O1 ZINC000000493014 384664417 /nfs/dbraw/zinc/66/44/17/384664417.db2.gz KJOWDMUEJFUGQB-QMMMGPOBSA-N 0 0 201.266 2.247 50 5 BEBARN COc1ccc2[nH]c(/C=C/[N+](=O)[O-])cc2c1 ZINC000000493768 384690070 /nfs/dbraw/zinc/69/00/70/384690070.db2.gz TYDVQLKKHXDCAB-SNAWJCMRSA-N 0 0 218.212 2.424 50 5 BEBARN C[C@](O)(c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000043368155 384786271 /nfs/dbraw/zinc/78/62/71/384786271.db2.gz VUESJESTGDDESM-QMMMGPOBSA-N 0 0 235.161 2.365 50 5 BEBARN CCOc1cc(F)c([N+](=O)[O-])c(F)c1 ZINC000263623449 385007641 /nfs/dbraw/zinc/00/76/41/385007641.db2.gz HOVOJDJEDDQVNN-UHFFFAOYSA-N 0 0 203.144 2.272 50 5 BEBARN Nc1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000263623773 385007935 /nfs/dbraw/zinc/00/79/35/385007935.db2.gz KPLFSWFLGQYYSA-UHFFFAOYSA-N 0 0 207.016 2.484 50 5 BEBARN Nc1cc([N+](=O)[O-])ccc1NCc1ccco1 ZINC000052840140 386065687 /nfs/dbraw/zinc/06/56/87/386065687.db2.gz WLOAUVOFBNBFHZ-UHFFFAOYSA-N 0 0 233.227 2.382 50 5 BEBARN O=C(CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000057497429 387007256 /nfs/dbraw/zinc/00/72/56/387007256.db2.gz HBJLNFURFVAXTF-UHFFFAOYSA-N 0 0 248.282 2.263 50 5 BEBARN COC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000035333469 387569061 /nfs/dbraw/zinc/56/90/61/387569061.db2.gz QZDCQHUTGCJJJT-UHFFFAOYSA-N 0 0 223.228 2.307 50 5 BEBARN O=[N+]([O-])c1cccnc1N1CCCC(F)(F)C1 ZINC000169725761 387973883 /nfs/dbraw/zinc/97/38/83/387973883.db2.gz OMIMANNMDIPKRD-UHFFFAOYSA-N 0 0 243.213 2.225 50 5 BEBARN COC(=O)c1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000142881929 388432338 /nfs/dbraw/zinc/43/23/38/388432338.db2.gz CGDWVWURAWVTMM-UHFFFAOYSA-N 0 0 248.194 2.036 50 5 BEBARN CC(=O)Cc1c(F)c(F)ccc1[N+](=O)[O-] ZINC000021297579 388805668 /nfs/dbraw/zinc/80/56/68/388805668.db2.gz ICTSDDZTPXZWEM-UHFFFAOYSA-N 0 0 215.155 2.005 50 5 BEBARN Cc1ccc(OC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000095438577 388770826 /nfs/dbraw/zinc/77/08/26/388770826.db2.gz DGEUHRQGHZMOOJ-SNVBAGLBSA-N 0 0 237.255 2.319 50 5 BEBARN C=Cc1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000252479292 388842267 /nfs/dbraw/zinc/84/22/67/388842267.db2.gz BCPASKZTWWSPHW-UHFFFAOYSA-N 0 0 229.239 2.483 50 5 BEBARN O=[N+]([O-])c1c2nonc2ccc1N1CCCCC1 ZINC000004828881 132316977 /nfs/dbraw/zinc/31/69/77/132316977.db2.gz CFHXBWIKVJEUGP-UHFFFAOYSA-N 0 0 248.242 2.121 50 5 BEBARN C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000013468531 132321653 /nfs/dbraw/zinc/32/16/53/132321653.db2.gz ZZBYVKYAISMKDR-AOOOYVTPSA-N 0 0 236.271 2.208 50 5 BEBARN CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000072522150 132397082 /nfs/dbraw/zinc/39/70/82/132397082.db2.gz ARKCBYGZLVRECL-UHFFFAOYSA-N 0 0 221.260 2.226 50 5 BEBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)C ZINC000000435831 397915635 /nfs/dbraw/zinc/91/56/35/397915635.db2.gz XRMDPZVCMLIHJA-UHFFFAOYSA-N 0 0 222.244 2.498 50 5 BEBARN CC(C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002164765 167078468 /nfs/dbraw/zinc/07/84/68/167078468.db2.gz USILEDFVCLGVPP-UHFFFAOYSA-N 0 0 223.232 2.125 50 5 BEBARN CC(=O)c1ccc(N2CC=CC2)c([N+](=O)[O-])c1 ZINC000310233200 166462685 /nfs/dbraw/zinc/46/26/85/166462685.db2.gz HGPIQBRQIXCTCB-UHFFFAOYSA-N 0 0 232.239 2.174 50 5 BEBARN CC(C)Oc1ncc(Cl)cc1[N+](=O)[O-] ZINC000238165811 167313841 /nfs/dbraw/zinc/31/38/41/167313841.db2.gz OSFVACIDCGQNEK-UHFFFAOYSA-N 0 0 216.624 2.430 50 5 BEBARN O=[N+]([O-])c1ccc(OC2CCOCC2)cc1 ZINC000498045244 411187933 /nfs/dbraw/zinc/18/79/33/411187933.db2.gz FOPOHTFLSBVORA-UHFFFAOYSA-N 0 0 223.228 2.153 50 5 BEBARN CCN(CC)c1ncc(C)cc1[N+](=O)[O-] ZINC000075092890 169806826 /nfs/dbraw/zinc/80/68/26/169806826.db2.gz VOGHLAVIBLCONC-UHFFFAOYSA-N 0 0 209.249 2.144 50 5 BEBARN CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000000297852 168242456 /nfs/dbraw/zinc/24/24/56/168242456.db2.gz ZZYUACZQNLQTQG-UHFFFAOYSA-N 0 0 208.217 2.252 50 5 BEBARN CCOC(=O)c1c(F)ccc([N+](=O)[O-])c1F ZINC000035333443 170288045 /nfs/dbraw/zinc/28/80/45/170288045.db2.gz NOIKETTVAGMFKJ-UHFFFAOYSA-N 0 0 231.154 2.050 50 5 BEBARN CCOC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000044747848 170297469 /nfs/dbraw/zinc/29/74/69/170297469.db2.gz RMCICYWZZMDLLO-UHFFFAOYSA-N 0 0 209.201 2.080 50 5 BEBARN CCOC(=O)c1sc(Cl)cc1[N+](=O)[O-] ZINC000095495826 170311093 /nfs/dbraw/zinc/31/10/93/170311093.db2.gz OFTSUBFVJGOOEW-UHFFFAOYSA-N 0 0 235.648 2.486 50 5 BEBARN CCOc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-] ZINC000000937210 170530376 /nfs/dbraw/zinc/53/03/76/170530376.db2.gz DQBMYWIMHIOXOT-UHFFFAOYSA-N 0 0 249.222 2.408 50 5 BEBARN CC[C@@H](C)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000005593260 170684330 /nfs/dbraw/zinc/68/43/30/170684330.db2.gz VVMKCWZIRKHGHI-RXMQYKEDSA-N 0 0 229.261 2.036 50 5 BEBARN CC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000004393806 171337795 /nfs/dbraw/zinc/33/77/95/171337795.db2.gz IYKZGBULZDWZMG-QMMMGPOBSA-N 0 0 236.271 2.432 50 5 BEBARN CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000033012207 171455157 /nfs/dbraw/zinc/45/51/57/171455157.db2.gz FIOJPKZRKYTRSJ-SSDOTTSWSA-N 0 0 244.678 2.431 50 5 BEBARN CCc1cc([N+](=O)[O-])c(NC(C)=O)cc1C ZINC000004760361 171775269 /nfs/dbraw/zinc/77/52/69/171775269.db2.gz BPOJRIGQRSHNDE-UHFFFAOYSA-N 0 0 222.244 2.424 50 5 BEBARN CCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000037628653 172044911 /nfs/dbraw/zinc/04/49/11/172044911.db2.gz PLPSPGNBNDLLTD-UHFFFAOYSA-N 0 0 219.200 2.207 50 5 BEBARN CCn1cc(/C=C\c2ccc([N+](=O)[O-])cn2)cn1 ZINC000222090540 172150068 /nfs/dbraw/zinc/15/00/68/172150068.db2.gz OPWLFIHIRMRBCW-ARJAWSKDSA-N 0 0 244.254 2.377 50 5 BEBARN CN(C)/C=C/c1cc(Cl)ncc1[N+](=O)[O-] ZINC000071782779 172350891 /nfs/dbraw/zinc/35/08/91/172350891.db2.gz ZKXSBZKRONWVMK-ONEGZZNKSA-N 0 0 227.651 2.176 50 5 BEBARN CNc1cc(N2CCCC2)ccc1[N+](=O)[O-] ZINC000004688222 173474629 /nfs/dbraw/zinc/47/46/29/173474629.db2.gz JMXXKCFKWMHVBR-UHFFFAOYSA-N 0 0 221.260 2.237 50 5 BEBARN CNc1ccc(C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC000016696483 173478546 /nfs/dbraw/zinc/47/85/46/173478546.db2.gz BKDACOBYOVHMST-UHFFFAOYSA-N 0 0 238.243 2.202 50 5 BEBARN COc1cc([N+](=O)[O-])c(OC)cc1Cl ZINC000000122471 175017744 /nfs/dbraw/zinc/01/77/44/175017744.db2.gz ORLPGMKKCAEWOW-UHFFFAOYSA-N 0 0 217.608 2.265 50 5 BEBARN COc1cc2c(cc1/C=C/[N+](=O)[O-])O[C@@H](C)C2 ZINC000004813805 175020626 /nfs/dbraw/zinc/02/06/26/175020626.db2.gz SKUHFWRZMGTHMH-RTMURIBGSA-N 0 0 235.239 2.266 50 5 BEBARN COc1ccc(-c2ccc(CO)o2)cc1[N+](=O)[O-] ZINC000000523994 175032947 /nfs/dbraw/zinc/03/29/47/175032947.db2.gz YEJIHWDJMJROGQ-UHFFFAOYSA-N 0 0 249.222 2.356 50 5 BEBARN COc1ccc(Br)cc1[N+](=O)[O-] ZINC000002516087 175050888 /nfs/dbraw/zinc/05/08/88/175050888.db2.gz ORBHQHXVVMZIDP-UHFFFAOYSA-N 0 0 232.033 2.366 50 5 BEBARN COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000000323050 175201225 /nfs/dbraw/zinc/20/12/25/175201225.db2.gz TUICZSFZAWPHQN-UHFFFAOYSA-N 0 0 204.185 2.152 50 5 BEBARN CSc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004666742 175573047 /nfs/dbraw/zinc/57/30/47/175573047.db2.gz FPQZEMWHBRWPLQ-UHFFFAOYSA-N 0 0 214.202 2.225 50 5 BEBARN C[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000000209409 176068846 /nfs/dbraw/zinc/06/88/46/176068846.db2.gz LFEHWENPAZXMSC-MRVPVSSYSA-N 0 0 238.243 2.202 50 5 BEBARN C[C@]1(O)CCCN(c2sccc2[N+](=O)[O-])C1 ZINC000095986700 177473821 /nfs/dbraw/zinc/47/38/21/177473821.db2.gz QWEXDIKGLLCXAL-JTQLQIEISA-N 0 0 242.300 2.008 50 5 BEBARN COc1cc(NC2CC2)c([N+](=O)[O-])cc1OC ZINC000214200673 488164811 /nfs/dbraw/zinc/16/48/11/488164811.db2.gz FPRJOXAVFROEKW-UHFFFAOYSA-N 0 0 238.243 2.186 50 5 BEBARN CC1(C)CC(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000670419817 488186284 /nfs/dbraw/zinc/18/62/84/488186284.db2.gz FNWTZJJSNRBZGM-UHFFFAOYSA-N 0 0 220.228 2.110 50 5 BEBARN COC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000032220630 517981920 /nfs/dbraw/zinc/98/19/20/517981920.db2.gz OOARJEHFHURUIO-UHFFFAOYSA-N 0 0 223.228 2.045 50 5 BEBARN COC(=O)N1CCCc2cc([N+](=O)[O-])ccc21 ZINC000004727636 536426456 /nfs/dbraw/zinc/42/64/56/536426456.db2.gz DPYBGITYIGIHOP-UHFFFAOYSA-N 0 0 236.227 2.114 50 5 BEBARN C[C@H]1CO[C@H](c2ccc([N+](=O)[O-])cc2)O1 ZINC000140077842 583441574 /nfs/dbraw/zinc/44/15/74/583441574.db2.gz XDNXNKYDMUJERW-XVKPBYJWSA-N 0 0 209.201 2.029 50 5 BEBARN CCC(CC)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000006309464 168342973 /nfs/dbraw/zinc/34/29/73/168342973.db2.gz IKYXMTLHYCKSNQ-UHFFFAOYSA-N 0 0 243.288 2.426 50 5 BEBARN Cc1cc2nsnc2c([N+](=O)[O-])c1C ZINC000000273616 178307942 /nfs/dbraw/zinc/30/79/42/178307942.db2.gz IHUUTTHUGLJFAF-UHFFFAOYSA-N 0 0 209.230 2.216 50 5 BEBARN Cc1ccc(-n2cc([N+](=O)[O-])nn2)cc1Cl ZINC000001392910 178345699 /nfs/dbraw/zinc/34/56/99/178345699.db2.gz MEGLYFPNOYCWBB-UHFFFAOYSA-N 0 0 238.634 2.137 50 5 BEBARN O=[N+]([O-])c1cnc(N2CC3(C2)CCCC3)s1 ZINC000253394954 398279205 /nfs/dbraw/zinc/27/92/05/398279205.db2.gz IIECDGUEJJWCDL-UHFFFAOYSA-N 0 0 239.300 2.432 50 5 BEBARN O=c1c2ccccc2[nH]c2ccc(O)cc21 ZINC000003886545 342738935 /nfs/dbraw/zinc/73/89/35/342738935.db2.gz IQJICBDZRSNSEJ-UHFFFAOYSA-N 0 0 211.220 2.387 50 5 BEBARN O=[N+]([O-])c1cccc2nc(C(F)(F)F)[nH]c21 ZINC000005286235 342761582 /nfs/dbraw/zinc/76/15/82/342761582.db2.gz XHHVZQKTSKYLQH-UHFFFAOYSA-N 0 0 231.133 2.490 50 5 BEBARN Nc1cc(C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000004334572 342838997 /nfs/dbraw/zinc/83/89/97/342838997.db2.gz WOSGMZUIHAFPSS-UHFFFAOYSA-N 0 0 224.113 2.335 50 5 BEBARN Cc1nc([N+](=O)[O-])cn1-c1cccc(C)c1 ZINC000013233553 343073741 /nfs/dbraw/zinc/07/37/41/343073741.db2.gz KUIYDNSTCVNFTD-UHFFFAOYSA-N 0 0 217.228 2.397 50 5 BEBARN CCCC[C@H](CC(=O)OCC)C[N+](=O)[O-] ZINC000144470590 343135116 /nfs/dbraw/zinc/13/51/16/343135116.db2.gz CJCKANNWBYPUFI-SECBINFHSA-N 0 0 217.265 2.023 50 5 BEBARN O=[N+]([O-])c1ccc(NCCCO)c(Cl)c1 ZINC000004602984 343583658 /nfs/dbraw/zinc/58/36/58/343583658.db2.gz YIMUGPSFJPUQFJ-UHFFFAOYSA-N 0 0 230.651 2.043 50 5 BEBARN Nc1ccc([C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000021951247 343809587 /nfs/dbraw/zinc/80/95/87/343809587.db2.gz GBDIHFMPEGTCBK-CYBMUJFWSA-N 0 0 244.250 2.259 50 5 BEBARN CCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000073735 344202086 /nfs/dbraw/zinc/20/20/86/344202086.db2.gz JLZWKZDHHREXTA-UHFFFAOYSA-N 0 0 222.244 2.077 50 5 BEBARN O=[N+]([O-])c1ccc(C2OCC=CCO2)cc1 ZINC000004825631 344442023 /nfs/dbraw/zinc/44/20/23/344442023.db2.gz KXCNHOYLPYRFPT-UHFFFAOYSA-N 0 0 221.212 2.196 50 5 BEBARN Cc1cc(C)n(C(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000000347749 344709437 /nfs/dbraw/zinc/70/94/37/344709437.db2.gz SCOLLBLQKBYOMH-UHFFFAOYSA-N 0 0 245.238 2.097 50 5 BEBARN Cc1cccc(C(=O)NCC2CC2)c1[N+](=O)[O-] ZINC000012737142 179015905 /nfs/dbraw/zinc/01/59/05/179015905.db2.gz ZHBPDZSWALDFCU-UHFFFAOYSA-N 0 0 234.255 2.043 50 5 BEBARN COc1cc(-c2ccc([N+](=O)[O-])nc2)ccn1 ZINC000725242469 537986225 /nfs/dbraw/zinc/98/62/25/537986225.db2.gz IKSSSJDEMXLTAD-UHFFFAOYSA-N 0 0 231.211 2.060 50 5 BEBARN Cc1cccc(Nc2c([N+](=O)[O-])ncn2C)c1 ZINC000005322648 179158810 /nfs/dbraw/zinc/15/88/10/179158810.db2.gz DGUUQQXRKDDCAX-UHFFFAOYSA-N 0 0 232.243 2.380 50 5 BEBARN Cc1ccccc1Cn1ccc([N+](=O)[O-])n1 ZINC000002505992 179294624 /nfs/dbraw/zinc/29/46/24/179294624.db2.gz XHWQUSGCOLRREK-UHFFFAOYSA-N 0 0 217.228 2.148 50 5 BEBARN Cc1ccnc(Sc2ccc([N+](=O)[O-])cn2)n1 ZINC000000810571 179464588 /nfs/dbraw/zinc/46/45/88/179464588.db2.gz UYDZRLRDOSHFHL-UHFFFAOYSA-N 0 0 248.267 2.239 50 5 BEBARN CC(=O)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000004127897 187411042 /nfs/dbraw/zinc/41/10/42/187411042.db2.gz JTQSYXLBUQIHLM-UHFFFAOYSA-N 0 0 214.608 2.207 50 5 BEBARN Cc1cnn(CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000097082536 179740599 /nfs/dbraw/zinc/74/05/99/179740599.db2.gz OMWAHESEMTVYJX-UHFFFAOYSA-N 0 0 247.254 2.179 50 5 BEBARN Cc1nc2ccc([N+](=O)[O-])cc2nc1C ZINC000000071517 180099767 /nfs/dbraw/zinc/09/97/67/180099767.db2.gz XDRSTGHGOVMLRX-UHFFFAOYSA-N 0 0 203.201 2.155 50 5 BEBARN Cc1ncc([N+](=O)[O-])cc1Br ZINC000071254789 180176514 /nfs/dbraw/zinc/17/65/14/180176514.db2.gz QWAOQTGMEGSRLN-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 BEBARN Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000003861498 351351181 /nfs/dbraw/zinc/35/11/81/351351181.db2.gz PZPZDEIASIKHPY-UHFFFAOYSA-N 0 0 242.234 2.408 50 5 in-vitro BEBARN Cn1cnc([N+](=O)[O-])c1NC1CCCCCC1 ZINC000006653473 180772110 /nfs/dbraw/zinc/77/21/10/180772110.db2.gz JWYUYVBTZNFCEI-UHFFFAOYSA-N 0 0 238.291 2.463 50 5 BEBARN Cn1cnc([N+](=O)[O-])c1Nc1ccccc1 ZINC000003832998 180774029 /nfs/dbraw/zinc/77/40/29/180774029.db2.gz YITYITULKISJMC-UHFFFAOYSA-N 0 0 218.216 2.072 50 5 BEBARN CC(C)(C)c1cc([N+](=O)[O-])c(N)cc1[N+](=O)[O-] ZINC000004115608 188102113 /nfs/dbraw/zinc/10/21/13/188102113.db2.gz MWNFNHDLHSFMCR-UHFFFAOYSA-N 0 0 239.231 2.383 50 5 BEBARN O=[N+]([O-])c1ccc([S@](=O)C(F)(F)F)cc1 ZINC000004387791 188102210 /nfs/dbraw/zinc/10/22/10/188102210.db2.gz FEEZTKJJCSPLDF-OAHLLOKOSA-N 0 0 239.174 2.222 50 5 BEBARN O=[N+]([O-])c1c[nH]c2ncc(Br)cc12 ZINC000044185231 188123173 /nfs/dbraw/zinc/12/31/73/188123173.db2.gz GHHWPSOGKLMSCJ-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN CN(C)c1c(Cl)cccc1[N+](=O)[O-] ZINC000022124648 188109081 /nfs/dbraw/zinc/10/90/81/188109081.db2.gz AMHCHWZVYGFSNK-UHFFFAOYSA-N 0 0 200.625 2.314 50 5 BEBARN O=[N+]([O-])c1cc(Br)c[nH]c1=S ZINC000038537086 188116669 /nfs/dbraw/zinc/11/66/69/188116669.db2.gz YINMWDRWADCKEZ-UHFFFAOYSA-N 0 0 235.062 2.041 50 5 BEBARN CC(=O)Nc1c(C)cc(F)cc1[N+](=O)[O-] ZINC000044676161 188123473 /nfs/dbraw/zinc/12/34/73/188123473.db2.gz SXWXRACCNAGROO-UHFFFAOYSA-N 0 0 212.180 2.001 50 5 BEBARN O=[N+]([O-])c1ncn(CCCC2CCCC2)n1 ZINC000081275742 188137438 /nfs/dbraw/zinc/13/74/38/188137438.db2.gz VSOWBYBKFVLCBL-UHFFFAOYSA-N 0 0 224.264 2.157 50 5 BEBARN O=[N+]([O-])c1cc(Br)ncc1Cl ZINC000261493682 188193206 /nfs/dbraw/zinc/19/32/06/188193206.db2.gz GYXAMGQJBZYFRL-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 BEBARN CC1(c2ccc(Cl)c([N+](=O)[O-])c2)OCCO1 ZINC000001388712 353298662 /nfs/dbraw/zinc/29/86/62/353298662.db2.gz STOSVCNJZZTMNN-UHFFFAOYSA-N 0 0 243.646 2.468 50 5 BEBARN Nc1ccc(SC(F)F)cc1[N+](=O)[O-] ZINC000096663655 188502323 /nfs/dbraw/zinc/50/23/23/188502323.db2.gz VAKBTQMLHNLUGC-UHFFFAOYSA-N 0 0 220.200 2.492 50 5 BEBARN O=c1oc2cc(O)ccc2c2cc(O)ccc12 ZINC000038674378 358184450 /nfs/dbraw/zinc/18/44/50/358184450.db2.gz WDGSXHQNUPZEHA-UHFFFAOYSA-N 0 0 228.203 2.357 50 5 BEBARN O=[N+]([O-])c1ccccc1CNCC(F)(F)F ZINC000020070251 369421478 /nfs/dbraw/zinc/42/14/78/369421478.db2.gz YVMSPFWYRANZGU-UHFFFAOYSA-N 0 0 234.177 2.247 50 5 BEBARN O=[N+]([O-])c1ccc(Br)cc1F ZINC000002387727 370370952 /nfs/dbraw/zinc/37/09/52/370370952.db2.gz VQCWSOYHHXXWSP-UHFFFAOYSA-N 0 0 219.997 2.496 50 5 BEBARN Cc1cc(Br)ncc1[N+](=O)[O-] ZINC000013214362 371023037 /nfs/dbraw/zinc/02/30/37/371023037.db2.gz OSYUAHGEDKTDOX-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 BEBARN Cc1cnc(Sc2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000078670078 371130041 /nfs/dbraw/zinc/13/00/41/371130041.db2.gz FAMPUFZQTIEWKF-UHFFFAOYSA-N 0 0 236.256 2.173 50 5 BEBARN Cc1cc[n+]([O-])cc1Oc1ccc([N+](=O)[O-])cc1 ZINC000096028201 371383273 /nfs/dbraw/zinc/38/32/73/371383273.db2.gz KKGPCPZSIAZEFD-UHFFFAOYSA-N 0 0 246.222 2.329 50 5 BEBARN Nc1cccc2c1-c1c(cccc1[N+](=O)[O-])C2=O ZINC000005615905 181748404 /nfs/dbraw/zinc/74/84/04/181748404.db2.gz BKGQKTNQMGETSA-UHFFFAOYSA-N 0 0 240.218 2.388 50 5 BEBARN CC(C)=CCC(C)(C)[C@H](O)C[N+](=O)[O-] ZINC000002997366 371833030 /nfs/dbraw/zinc/83/30/30/371833030.db2.gz ZNRQGYSETWOLQP-SECBINFHSA-N 0 0 201.266 2.007 50 5 BEBARN Cc1[nH]nc(NCCc2ccccc2)c1[N+](=O)[O-] ZINC000004009628 372113400 /nfs/dbraw/zinc/11/34/00/372113400.db2.gz SAECEWKHBDZUOT-UHFFFAOYSA-N 0 0 246.270 2.281 50 5 BEBARN Nc1cc(Cl)c([N+](=O)[O-])c(Cl)c1 ZINC000004013164 372115383 /nfs/dbraw/zinc/11/53/83/372115383.db2.gz FKDUHJWERVIMAL-UHFFFAOYSA-N 0 0 207.016 2.484 50 5 BEBARN Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000004289464 372194915 /nfs/dbraw/zinc/19/49/15/372194915.db2.gz FSGTULQLEVAYRS-UHFFFAOYSA-N 0 0 207.016 2.484 50 5 BEBARN CC(C)(C)OC(=O)Nc1ccnc([N+](=O)[O-])c1 ZINC000038665649 372733620 /nfs/dbraw/zinc/73/36/20/372733620.db2.gz MZQAHTFOFNOBFK-UHFFFAOYSA-N 0 0 239.231 2.337 50 5 BEBARN Cn1c(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC000039118625 372870200 /nfs/dbraw/zinc/87/02/00/372870200.db2.gz KXMTWHCGFNZHTG-UHFFFAOYSA-N 0 0 211.608 2.135 50 5 BEBARN COc1ccc([N+](=O)[O-])cc1-c1ccc(CO)o1 ZINC000008727769 372861804 /nfs/dbraw/zinc/86/18/04/372861804.db2.gz DBIUEGFQCOCBGU-UHFFFAOYSA-N 0 0 249.222 2.356 50 5 BEBARN O=[N+]([O-])c1c(NCC2CC2)nc2ccccn21 ZINC000042649521 374280558 /nfs/dbraw/zinc/28/05/58/374280558.db2.gz SOTNQOAWMLPPJX-UHFFFAOYSA-N 0 0 232.243 2.064 50 5 BEBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000003897745 182380942 /nfs/dbraw/zinc/38/09/42/182380942.db2.gz BUWUTMCDTKSWDV-UHFFFAOYSA-N 0 0 243.222 2.242 50 5 BEBARN O=C(Nc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000000255400 182386102 /nfs/dbraw/zinc/38/61/02/182386102.db2.gz PJMSJOVJUFYHTQ-UHFFFAOYSA-N 0 0 243.222 2.242 50 5 BEBARN O=[N+]([O-])c1ccc(NC(=S)NC2CC2)cc1 ZINC000004685199 182935100 /nfs/dbraw/zinc/93/51/00/182935100.db2.gz BZQDSUAJSJUJFE-UHFFFAOYSA-N 0 0 237.284 2.044 50 5 BEBARN O=[N+]([O-])c1cccnc1OC1CCCC1 ZINC000238592936 182953300 /nfs/dbraw/zinc/95/33/00/182953300.db2.gz QKNOMEFDBBQBOO-UHFFFAOYSA-N 0 0 208.217 2.311 50 5 BEBARN O=[N+]([O-])c1ccn2c(Br)cnc2c1 ZINC000089202076 182954836 /nfs/dbraw/zinc/95/48/36/182954836.db2.gz VCAJFNRBOCVBIX-UHFFFAOYSA-N 0 0 242.032 2.005 50 5 BEBARN O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@H]3O ZINC000000188381 182940930 /nfs/dbraw/zinc/94/09/30/182940930.db2.gz UAYFNQHKNNPZPP-LLVKDONJSA-N 0 0 232.239 2.446 50 5 BEBARN CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000005430926 169250306 /nfs/dbraw/zinc/25/03/06/169250306.db2.gz MMLVIEFQUVREDB-UHFFFAOYSA-N 0 0 242.662 2.388 50 5 BEBARN CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000083794926 169250511 /nfs/dbraw/zinc/25/05/11/169250511.db2.gz BFNHNSCIJNDQSX-UHFFFAOYSA-N 0 0 242.662 2.388 50 5 BEBARN CCCOc1ccc([N+](=O)[O-])c(NC(C)=O)c1 ZINC000022002102 169322490 /nfs/dbraw/zinc/32/24/90/169322490.db2.gz MPWBJJGYQAFDNT-UHFFFAOYSA-N 0 0 238.243 2.342 50 5 BEBARN COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000163347 383828915 /nfs/dbraw/zinc/82/89/15/383828915.db2.gz JGBJHRKCUKTQOE-UHFFFAOYSA-N 0 0 215.592 2.035 50 5 BEBARN COC(=O)c1cc([N+](=O)[O-])ccc1-n1cccc1 ZINC000000150207 383833490 /nfs/dbraw/zinc/83/34/90/383833490.db2.gz GOKICCKTBJMWTD-UHFFFAOYSA-N 0 0 246.222 2.172 50 5 BEBARN O=[N+]([O-])c1c(F)c(F)c(F)c(F)c1F ZINC000001845591 383938756 /nfs/dbraw/zinc/93/87/56/383938756.db2.gz INUOFQAJCYUOJR-UHFFFAOYSA-N 0 0 213.061 2.290 50 5 BEBARN Cc1cc(C(=O)Nc2ccon2)ccc1[N+](=O)[O-] ZINC000000372962 384150174 /nfs/dbraw/zinc/15/01/74/384150174.db2.gz BOVLDSZDUBBTCT-UHFFFAOYSA-N 0 0 247.210 2.144 50 5 BEBARN CNc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc21 ZINC000004428017 384365998 /nfs/dbraw/zinc/36/59/98/384365998.db2.gz MORYNZKYPVSMCF-UHFFFAOYSA-N 0 0 248.198 2.093 50 5 BEBARN COC(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000047202458 384443532 /nfs/dbraw/zinc/44/35/32/384443532.db2.gz VMDFHCYVCFQUFV-UHFFFAOYSA-N 0 0 249.144 2.400 50 5 BEBARN CNc1ccc([N+](=O)[O-])cc1Br ZINC000019873060 384550470 /nfs/dbraw/zinc/55/04/70/384550470.db2.gz UQJJTDUGJKNTEZ-UHFFFAOYSA-N 0 0 231.049 2.399 50 5 BEBARN Nc1cc(Br)cc([N+](=O)[O-])c1F ZINC000071790079 384700119 /nfs/dbraw/zinc/70/01/19/384700119.db2.gz KHADFTHWUPIKQM-UHFFFAOYSA-N 0 0 235.012 2.079 50 5 BEBARN Nc1nnc(/C=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000004833534 384885312 /nfs/dbraw/zinc/88/53/12/384885312.db2.gz DNNGSBJELCTEJW-SNAWJCMRSA-N 0 0 248.267 2.199 50 5 BEBARN COC(=O)c1c[nH]cc1-c1ccc([N+](=O)[O-])cc1 ZINC000072266386 385144534 /nfs/dbraw/zinc/14/45/34/385144534.db2.gz BJRIFKSPQVQBLA-UHFFFAOYSA-N 0 0 246.222 2.377 50 5 BEBARN Cc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000005547406 385161348 /nfs/dbraw/zinc/16/13/48/385161348.db2.gz BRPLPZDEIGVTSI-UHFFFAOYSA-N 0 0 222.244 2.041 50 5 BEBARN C[C@@]1(CNc2ccccc2[N+](=O)[O-])CCOC1 ZINC000079089939 385767237 /nfs/dbraw/zinc/76/72/37/385767237.db2.gz JBZHQUCYIXFDMA-LBPRGKRZSA-N 0 0 236.271 2.433 50 5 BEBARN CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000003880714 385838273 /nfs/dbraw/zinc/83/82/73/385838273.db2.gz DPGGPHUMELSDSV-UHFFFAOYSA-N 0 0 203.201 2.185 50 5 BEBARN Cc1ccc(Oc2ncnc(N)c2[N+](=O)[O-])cc1 ZINC000003912741 385940964 /nfs/dbraw/zinc/94/09/64/385940964.db2.gz LAHZFYULIPFJAW-UHFFFAOYSA-N 0 0 246.226 2.068 50 5 BEBARN COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000004181852 386262036 /nfs/dbraw/zinc/26/20/36/386262036.db2.gz UYQJTXQJNZMDBI-UHFFFAOYSA-N 0 0 215.592 2.035 50 5 BEBARN O=Cc1cccc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000025757598 386376967 /nfs/dbraw/zinc/37/69/67/386376967.db2.gz MEBRRQOWKWXTRB-UHFFFAOYSA-N 0 0 228.207 2.469 50 5 BEBARN O=[N+]([O-])c1c(F)cccc1Br ZINC000016159789 386737405 /nfs/dbraw/zinc/73/74/05/386737405.db2.gz VFPAOFBPEYCAAZ-UHFFFAOYSA-N 0 0 219.997 2.496 50 5 BEBARN CCCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001599507 387035660 /nfs/dbraw/zinc/03/56/60/387035660.db2.gz ZPYLRHGQFFDNOH-UHFFFAOYSA-N 0 0 222.244 2.125 50 5 BEBARN CSCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000047895678 387150471 /nfs/dbraw/zinc/15/04/71/387150471.db2.gz ZWAGBIAAYDQTCC-UHFFFAOYSA-N 0 0 240.284 2.205 50 5 BEBARN O=[N+]([O-])c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000004427538 322813096 /nfs/dbraw/zinc/81/30/96/322813096.db2.gz OEZJLUBWUDVTSS-UHFFFAOYSA-N 0 0 202.553 2.156 50 5 BEBARN O=[N+]([O-])c1cc(Br)ccc1[O-] ZINC000036377933 388020682 /nfs/dbraw/zinc/02/06/82/388020682.db2.gz CUTFAPGINUFNQM-UHFFFAOYSA-N 0 0 218.006 2.063 50 5 BEBARN CNc1ccc(Nc2ncccc2[N+](=O)[O-])cn1 ZINC000042739672 388111700 /nfs/dbraw/zinc/11/17/00/388111700.db2.gz LJHLSNCNMDOMLT-UHFFFAOYSA-N 0 0 245.242 2.170 50 5 BEBARN Cn1cc(Oc2ccc([N+](=O)[O-])cc2F)cn1 ZINC000170598754 388240275 /nfs/dbraw/zinc/24/02/75/388240275.db2.gz NBLGNECOKJLJCY-UHFFFAOYSA-N 0 0 237.190 2.260 50 5 BEBARN O=C1CC(=O)CC(c2ccc([N+](=O)[O-])cc2)C1 ZINC000032220584 388393869 /nfs/dbraw/zinc/39/38/69/388393869.db2.gz LQMGHIOOSOQCQA-UHFFFAOYSA-N 0 0 233.223 2.001 50 5 BEBARN O=[N+]([O-])c1ccccc1[C@@H](O)c1cccnc1 ZINC000090225687 388399142 /nfs/dbraw/zinc/39/91/42/388399142.db2.gz ILBZRJIMVDYIQQ-LBPRGKRZSA-N 0 0 230.223 2.072 50 5 BEBARN CC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000037632669 388471702 /nfs/dbraw/zinc/47/17/02/388471702.db2.gz CXTPOLDUEGJFDZ-UHFFFAOYSA-N 0 0 204.185 2.279 50 5 BEBARN CNc1cc(Br)ccc1[N+](=O)[O-] ZINC000039956324 388410873 /nfs/dbraw/zinc/41/08/73/388410873.db2.gz FTVGSRGPTYFWRQ-UHFFFAOYSA-N 0 0 231.049 2.399 50 5 BEBARN O=[N+]([O-])c1cnc(Br)cc1Cl ZINC000091297088 388610421 /nfs/dbraw/zinc/61/04/21/388610421.db2.gz HJWNYVVSEUNNMO-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 BEBARN Cn1cnc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000067802421 388701078 /nfs/dbraw/zinc/70/10/78/388701078.db2.gz HGZVRISBIBYVNB-UHFFFAOYSA-N 0 0 211.608 2.135 50 5 BEBARN COC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000021516726 388811796 /nfs/dbraw/zinc/81/17/96/388811796.db2.gz CGKXVRSFGQJDNK-MRVPVSSYSA-N 0 0 210.233 2.042 50 5 BEBARN COc1cc(Br)ccc1[N+](=O)[O-] ZINC000020357511 388763532 /nfs/dbraw/zinc/76/35/32/388763532.db2.gz DJKPQYBFSAJUBS-UHFFFAOYSA-N 0 0 232.033 2.366 50 5 BEBARN C[C@@H]1Sc2ccc([N+](=O)[O-])cc2NC1=O ZINC000095644350 388781031 /nfs/dbraw/zinc/78/10/31/388781031.db2.gz BKCNCIQMFHFQGI-YFKPBYRVSA-N 0 0 224.241 2.028 50 5 BEBARN COC(=O)c1cc(-c2ccccc2[N+](=O)[O-])on1 ZINC000090513795 388787851 /nfs/dbraw/zinc/78/78/51/388787851.db2.gz NVHNLFNZDOHJQJ-UHFFFAOYSA-N 0 0 248.194 2.036 50 5 BEBARN O=[N+]([O-])c1ccc(F)cc1N[C@H]1CCC[C@@H]1O ZINC000225724212 388843247 /nfs/dbraw/zinc/84/32/47/388843247.db2.gz UKGJUSBSYPVXLQ-KWQFWETISA-N 0 0 240.234 2.059 50 5 BEBARN CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000019640975 132325962 /nfs/dbraw/zinc/32/59/62/132325962.db2.gz NFSADVUTONODAJ-UHFFFAOYSA-N 0 0 221.260 2.226 50 5 BEBARN CC1(C)CC(=O)c2cc([N+](=O)[O-])ccc21 ZINC000098210258 167884060 /nfs/dbraw/zinc/88/40/60/167884060.db2.gz QPCPKZFKKMWXQT-UHFFFAOYSA-N 0 0 205.213 2.459 50 5 BEBARN CCNc1ccc(-c2nc(C)no2)cc1[N+](=O)[O-] ZINC000020897914 170173087 /nfs/dbraw/zinc/17/30/87/170173087.db2.gz WVYSAQXXJJMHNT-UHFFFAOYSA-N 0 0 248.242 2.385 50 5 BEBARN CCNc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000012526499 170173388 /nfs/dbraw/zinc/17/33/88/170173388.db2.gz ZPDIWFZNPUKJQM-UHFFFAOYSA-N 0 0 208.217 2.229 50 5 BEBARN CCNc1ncc([N+](=O)[O-])cc1Cl ZINC000040566576 170178395 /nfs/dbraw/zinc/17/83/95/170178395.db2.gz LYVVTTAVPXBFHD-UHFFFAOYSA-N 0 0 201.613 2.075 50 5 BEBARN CCOC(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000047202810 170292571 /nfs/dbraw/zinc/29/25/71/170292571.db2.gz CWBDZGOBRZAYMQ-UHFFFAOYSA-N 0 0 231.154 2.050 50 5 BEBARN CCOc1c(F)cc([N+](=O)[O-])cc1F ZINC000261494381 170514298 /nfs/dbraw/zinc/51/42/98/170514298.db2.gz WEUNUUIYFHGVNQ-UHFFFAOYSA-N 0 0 203.144 2.272 50 5 BEBARN CC[C@H](C(=O)OC)c1ccc([N+](=O)[O-])cc1 ZINC000014007388 171241471 /nfs/dbraw/zinc/24/14/71/171241471.db2.gz RJRSBLADCYAQKP-JTQLQIEISA-N 0 0 223.228 2.261 50 5 BEBARN CC[C@H](C)Nc1c2nonc2ccc1[N+](=O)[O-] ZINC000004093888 171349419 /nfs/dbraw/zinc/34/94/19/171349419.db2.gz PZOUICPNMGBSLI-LURJTMIESA-N 0 0 236.231 2.341 50 5 BEBARN CCc1noc(-c2ccc(NC)c([N+](=O)[O-])c2)n1 ZINC000020897969 172073062 /nfs/dbraw/zinc/07/30/62/172073062.db2.gz UIAGYAWJXHRPRW-UHFFFAOYSA-N 0 0 248.242 2.249 50 5 BEBARN CNC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003369399 173316782 /nfs/dbraw/zinc/31/67/82/173316782.db2.gz LVKHBTRMQSSKEP-UHFFFAOYSA-N 0 0 245.691 2.164 50 5 BEBARN COCC[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000045022733 174385959 /nfs/dbraw/zinc/38/59/59/174385959.db2.gz ZSVJZBNXMMEZSK-SECBINFHSA-N 0 0 224.260 2.432 50 5 BEBARN COc1cc(C=O)c([N+](=O)[O-])cc1OC(F)F ZINC000012505056 174976000 /nfs/dbraw/zinc/97/60/00/174976000.db2.gz CXZBLGOUIGALNE-UHFFFAOYSA-N 0 0 247.153 2.017 50 5 BEBARN COc1cc(OC)c([N+](=O)[O-])cc1Cl ZINC000001682073 175008028 /nfs/dbraw/zinc/00/80/28/175008028.db2.gz MEIDXJUMYYOXHN-UHFFFAOYSA-N 0 0 217.608 2.265 50 5 BEBARN COc1ccc2ncc([N+](=O)[O-])cc2c1 ZINC000001442922 175230277 /nfs/dbraw/zinc/23/02/77/175230277.db2.gz LMMZXVJDJDOXEA-UHFFFAOYSA-N 0 0 204.185 2.152 50 5 BEBARN COc1cccc([N+](=O)[O-])c1OC(F)F ZINC000072209463 175297448 /nfs/dbraw/zinc/29/74/48/175297448.db2.gz SYGYZNHTUKHJPI-UHFFFAOYSA-N 0 0 219.143 2.205 50 5 BEBARN C[C@@H](CO)Sc1ccccc1[N+](=O)[O-] ZINC000076065129 175759706 /nfs/dbraw/zinc/75/97/06/175759706.db2.gz FEAASECKMRGLMU-ZETCQYMHSA-N 0 0 213.258 2.068 50 5 BEBARN C[C@@H]1CCO[C@@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000000284519 176190808 /nfs/dbraw/zinc/19/08/08/176190808.db2.gz POWZYXIYDYGNMD-LDYMZIIASA-N 0 0 223.228 2.419 50 5 BEBARN C[C@H]1CCO[C@@H](c2cccc([N+](=O)[O-])c2)O1 ZINC000002913585 177178411 /nfs/dbraw/zinc/17/84/11/177178411.db2.gz POWZYXIYDYGNMD-GZMMTYOYSA-N 0 0 223.228 2.419 50 5 BEBARN O=[N+]([O-])c1ccc2c(c1)nc1n2CCSC1 ZINC000002358352 488051083 /nfs/dbraw/zinc/05/10/83/488051083.db2.gz LVAWIRNGBXGGLK-UHFFFAOYSA-N 0 0 235.268 2.191 50 5 BEBARN CC(C)CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000441392 491133172 /nfs/dbraw/zinc/13/31/72/491133172.db2.gz YHNXLJDTEYXRIF-UHFFFAOYSA-N 0 0 236.271 2.371 50 5 BEBARN COc1cc(/C=C(\C)[N+](=O)[O-])cc(OC)c1 ZINC000004695283 518130224 /nfs/dbraw/zinc/13/02/24/518130224.db2.gz COWWUDOIMZXGFM-XBXARRHUSA-N 0 0 223.228 2.341 50 5 BEBARN O=[N+]([O-])C1(Br)CCCCC1 ZINC000039269529 967812149 /nfs/dbraw/zinc/81/21/49/967812149.db2.gz JXRGVYLCDXJWLY-UHFFFAOYSA-N 0 0 208.055 2.318 50 5 BEBARN CCOc1ccc([N+](=O)[O-])c(F)c1F ZINC000261494361 398208340 /nfs/dbraw/zinc/20/83/40/398208340.db2.gz VUCWHNVRSUUSKP-UHFFFAOYSA-N 0 0 203.144 2.272 50 5 BEBARN Cc1cc(Oc2cccnc2[N+](=O)[O-])nc(C)n1 ZINC000032769739 178215712 /nfs/dbraw/zinc/21/57/12/178215712.db2.gz QXPQOCVNXJUUJY-UHFFFAOYSA-N 0 0 246.226 2.189 50 5 BEBARN Cc1cc([N+](=O)[O-])c([N+](=O)[O-])c(C)c1C ZINC000004530157 178269772 /nfs/dbraw/zinc/26/97/72/178269772.db2.gz ZBEPWUUXQFNQIM-UHFFFAOYSA-N 0 0 210.189 2.428 50 5 BEBARN CCOc1c(/C=C/[N+](=O)[O-])cccc1OC ZINC000000473466 342688343 /nfs/dbraw/zinc/68/83/43/342688343.db2.gz IPURVYVDFUARIT-BQYQJAHWSA-N 0 0 223.228 2.341 50 5 BEBARN Cc1cc(=O)c2c(=O)oc3ccccc3c2o1 ZINC000000033677 342670276 /nfs/dbraw/zinc/67/02/76/342670276.db2.gz TUBHDGQFWDSXPR-UHFFFAOYSA-N 0 0 228.203 2.208 50 5 biogenic BEBARN O=[N+]([O-])c1ccc(-c2cnc3n2CCC3)cc1 ZINC000000494247 342688905 /nfs/dbraw/zinc/68/89/05/342688905.db2.gz OTVPAGFWJLSHIM-UHFFFAOYSA-N 0 0 229.239 2.405 50 5 BEBARN Nc1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000012957768 342862211 /nfs/dbraw/zinc/86/22/11/342862211.db2.gz MFLJFFUIURSSKM-UHFFFAOYSA-N 0 0 206.123 2.196 50 5 BEBARN O=C1CCCN1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032627280 342856945 /nfs/dbraw/zinc/85/69/45/342856945.db2.gz FLDGVCUKWQCKKY-UHFFFAOYSA-N 0 0 240.646 2.375 50 5 BEBARN O=C1CCCCc2sc([N+](=O)[O-])cc2N1 ZINC000004956330 343273451 /nfs/dbraw/zinc/27/34/51/343273451.db2.gz SNLYGKRESJGRCM-UHFFFAOYSA-N 0 0 226.257 2.321 50 5 BEBARN O=[N+]([O-])c1cccnc1OCC1CCC1 ZINC000042750112 343450430 /nfs/dbraw/zinc/45/04/30/343450430.db2.gz IZGBFASYAQYMJW-UHFFFAOYSA-N 0 0 208.217 2.169 50 5 BEBARN CC(=O)Nc1c(C)cc([N+](=O)[O-])cc1C ZINC000044559807 343506758 /nfs/dbraw/zinc/50/67/58/343506758.db2.gz FVLFCHIARZIKGV-UHFFFAOYSA-N 0 0 208.217 2.170 50 5 BEBARN O=[N+]([O-])c1ccc(Br)c2cn[nH]c21 ZINC000044713416 343512743 /nfs/dbraw/zinc/51/27/43/343512743.db2.gz DUMLSJZUSWSCBY-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN O=[N+]([O-])c1cccnc1SC1=NCCS1 ZINC000013575451 343576236 /nfs/dbraw/zinc/57/62/36/343576236.db2.gz NAUPTBXJDJTOQE-UHFFFAOYSA-N 0 0 241.297 2.185 50 5 BEBARN O=[N+]([O-])c1cc(OC(F)F)ccc1F ZINC000047203271 343558866 /nfs/dbraw/zinc/55/88/66/343558866.db2.gz JVKBWBGHIFTQBQ-UHFFFAOYSA-N 0 0 207.107 2.335 50 5 BEBARN Cc1ccc(Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000002388601 178666254 /nfs/dbraw/zinc/66/62/54/178666254.db2.gz XBTSHQYPEYHCPX-UHFFFAOYSA-N 0 0 217.228 2.148 50 5 BEBARN O=[N+]([O-])c1ccc(-n2nnc3ccccc32)cc1 ZINC000012395598 344515325 /nfs/dbraw/zinc/51/53/25/344515325.db2.gz QRYSKDXYSIEGOF-UHFFFAOYSA-N 0 0 240.222 2.329 50 5 BEBARN Cn1cnc([N+](=O)[O-])c1Sc1ccccc1 ZINC000000147688 344564527 /nfs/dbraw/zinc/56/45/27/344564527.db2.gz JSTDAVYXINFTFX-UHFFFAOYSA-N 0 0 235.268 2.480 50 5 BEBARN O=[N+]([O-])c1ccc2nn(-c3ccccc3)nc2c1 ZINC000000274156 344673455 /nfs/dbraw/zinc/67/34/55/344673455.db2.gz GYXCDZYHDIYSSY-UHFFFAOYSA-N 0 0 240.222 2.329 50 5 BEBARN O=[N+]([O-])c1cccc(C(=S)N2CCCC2)c1 ZINC000000208436 344631388 /nfs/dbraw/zinc/63/13/88/344631388.db2.gz VVIAEZJEBZIPIK-UHFFFAOYSA-N 0 0 236.296 2.366 50 5 BEBARN Cc1ccc(Oc2c([N+](=O)[O-])ncn2C)cc1 ZINC000008308581 178819744 /nfs/dbraw/zinc/81/97/44/178819744.db2.gz AJKBZXMZGMLSBC-UHFFFAOYSA-N 0 0 233.227 2.429 50 5 BEBARN CC(C)(C)n1nc(N)c2cc([N+](=O)[O-])ccc21 ZINC000005179978 345786277 /nfs/dbraw/zinc/78/62/77/345786277.db2.gz WCRMRQYUTQBZMM-UHFFFAOYSA-N 0 0 234.259 2.282 50 5 BEBARN Cc1ccc([N+](=O)[O-])cc1NCc1ccnn1C ZINC000037059590 178933495 /nfs/dbraw/zinc/93/34/95/178933495.db2.gz FHWYYSIVVCADDU-UHFFFAOYSA-N 0 0 246.270 2.249 50 5 BEBARN CC(=O)Nc1cc2c(cc1[N+](=O)[O-])CCC2 ZINC000005383142 346205552 /nfs/dbraw/zinc/20/55/52/346205552.db2.gz HXPPAQKBNKPAMW-UHFFFAOYSA-N 0 0 220.228 2.042 50 5 BEBARN O=[N+]([O-])c1ccc(OC2CCCC2)nc1 ZINC000034427318 346279518 /nfs/dbraw/zinc/27/95/18/346279518.db2.gz LHCWPFZOULXRST-UHFFFAOYSA-N 0 0 208.217 2.311 50 5 BEBARN CCCn1c(Cl)c([N+](=O)[O-])nc1CC ZINC000000481442 346606901 /nfs/dbraw/zinc/60/69/01/346606901.db2.gz IMYNSUFEKAABDD-UHFFFAOYSA-N 0 0 217.656 2.417 50 5 BEBARN Cc1ccccc1Cn1cnc([N+](=O)[O-])c1 ZINC000004809653 179294121 /nfs/dbraw/zinc/29/41/21/179294121.db2.gz LOIRIVCXGZIAIZ-UHFFFAOYSA-N 0 0 217.228 2.148 50 5 BEBARN Cc1nc([N+](=O)[O-])cn1-c1ccccc1 ZINC000003163483 180059122 /nfs/dbraw/zinc/05/91/22/180059122.db2.gz QEDFIVOBVCLEML-UHFFFAOYSA-N 0 0 203.201 2.089 50 5 BEBARN Cc1nc2ccc(N)c([N+](=O)[O-])c2s1 ZINC000004050401 180093337 /nfs/dbraw/zinc/09/33/37/180093337.db2.gz GHBQLTSYSFBFOO-UHFFFAOYSA-N 0 0 209.230 2.095 50 5 BEBARN Cc1ncc([N+](=O)[O-])n1CCOc1ccccc1 ZINC000013281253 180176115 /nfs/dbraw/zinc/17/61/15/180176115.db2.gz HGYKMJWNDXFZHC-UHFFFAOYSA-N 0 0 247.254 2.179 50 5 BEBARN Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000003861425 351351078 /nfs/dbraw/zinc/35/10/78/351351078.db2.gz HOTZLWVITTVZGY-UHFFFAOYSA-N 0 0 206.123 2.196 50 5 BEBARN O=[N+]([O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000003897273 351465438 /nfs/dbraw/zinc/46/54/38/351465438.db2.gz ARCUVLVHQWONDY-UHFFFAOYSA-N 0 0 237.215 2.103 50 5 BEBARN C/C=C/C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000002166215 351994059 /nfs/dbraw/zinc/99/40/59/351994059.db2.gz NCMIKVHVDWZWIE-ONEGZZNKSA-N 0 0 220.228 2.418 50 5 BEBARN CC1(C)C=Cc2cc(N)c([N+](=O)[O-])cc2O1 ZINC000039426550 187773847 /nfs/dbraw/zinc/77/38/47/187773847.db2.gz OMQAQIYAMSIFEK-UHFFFAOYSA-N 0 0 220.228 2.361 50 5 BEBARN Nc1c(F)cc([N+](=O)[O-])cc1Br ZINC000015443765 352971590 /nfs/dbraw/zinc/97/15/90/352971590.db2.gz YAQFGXYPGJATMT-UHFFFAOYSA-N 0 0 235.012 2.079 50 5 BEBARN CC(C)(O)CCSc1ccc([N+](=O)[O-])cn1 ZINC000000093531 188099184 /nfs/dbraw/zinc/09/91/84/188099184.db2.gz KDNIUADEGOKZBM-UHFFFAOYSA-N 0 0 242.300 2.243 50 5 BEBARN CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1C ZINC000000346006 188099331 /nfs/dbraw/zinc/09/93/31/188099331.db2.gz UCPGMSZAKZKWRS-UHFFFAOYSA-N 0 0 208.217 2.170 50 5 BEBARN Cc1nc(N)sc1-c1ccc([N+](=O)[O-])o1 ZINC000000238925 188156369 /nfs/dbraw/zinc/15/63/69/188156369.db2.gz RLSOYDNFLPSUCN-UHFFFAOYSA-N 0 0 225.229 2.202 50 5 BEBARN CC(C)(C)C(=N)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000095452480 188500006 /nfs/dbraw/zinc/50/00/06/188500006.db2.gz FAPJTWIYWVTPQC-UHFFFAOYSA-N 0 0 249.270 2.348 50 5 BEBARN Cc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC000001711124 357172620 /nfs/dbraw/zinc/17/26/20/357172620.db2.gz NBCOZXBHPKSFSA-UHFFFAOYSA-N 0 0 208.004 2.000 50 5 in-vitro BEBARN CCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000034580242 368376097 /nfs/dbraw/zinc/37/60/97/368376097.db2.gz SEQTUSZKRDHNDC-UHFFFAOYSA-N 0 0 237.255 2.436 50 5 BEBARN CCOC(=O)/C=C/c1ccc(F)c([N+](=O)[O-])c1 ZINC000146451095 368393859 /nfs/dbraw/zinc/39/38/59/368393859.db2.gz NAKRVGGZMCRECC-GQCTYLIASA-N 0 0 239.202 2.310 50 5 BEBARN C[Si](C)(C)CCOCn1cc([N+](=O)[O-])cn1 ZINC000201337933 369386935 /nfs/dbraw/zinc/38/69/35/369386935.db2.gz UEUZRTVOLSCNIX-UHFFFAOYSA-N 0 0 243.339 2.104 50 5 BEBARN Cc1cc([N+](=O)[O-])nn1Cc1ccc(C)cc1 ZINC000020367434 371271450 /nfs/dbraw/zinc/27/14/50/371271450.db2.gz UUTHNVKYNNJEHI-UHFFFAOYSA-N 0 0 231.255 2.456 50 5 BEBARN Nc1ncc([N+](=O)[O-])cc1-c1ccccc1 ZINC000022358275 181798842 /nfs/dbraw/zinc/79/88/42/181798842.db2.gz STLZWMIBCWUFNW-UHFFFAOYSA-N 0 0 215.212 2.239 50 5 BEBARN CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003183567 371904289 /nfs/dbraw/zinc/90/42/89/371904289.db2.gz QUMQBQADXFETJW-UHFFFAOYSA-N 0 0 214.608 2.207 50 5 BEBARN NN=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000004293996 372197398 /nfs/dbraw/zinc/19/73/98/372197398.db2.gz ZOJPXCPZDSRIKP-UHFFFAOYSA-N 0 0 236.256 2.004 50 5 BEBARN O=C(CCc1ccccc1)n1cc([N+](=O)[O-])cn1 ZINC000000086262 181931584 /nfs/dbraw/zinc/93/15/84/181931584.db2.gz PNWVXCICUDBPSU-UHFFFAOYSA-N 0 0 245.238 2.064 50 5 BEBARN CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])nc1 ZINC000038665652 372734559 /nfs/dbraw/zinc/73/45/59/372734559.db2.gz YPROTXGMELDXOQ-UHFFFAOYSA-N 0 0 239.231 2.337 50 5 BEBARN O=[N+]([O-])c1cncc(Br)c1Cl ZINC000008698170 372853308 /nfs/dbraw/zinc/85/33/08/372853308.db2.gz FTQGEZJTBYMEIH-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 BEBARN O=[N+]([O-])c1ccccc1Sc1ncc[nH]1 ZINC000039415321 372967281 /nfs/dbraw/zinc/96/72/81/372967281.db2.gz FILREWYTDPRLQT-UHFFFAOYSA-N 0 0 221.241 2.469 50 5 BEBARN O=C(Cc1ccccc1[N+](=O)[O-])NC1CCCC1 ZINC000005717213 182046449 /nfs/dbraw/zinc/04/64/49/182046449.db2.gz LGJQNCOVXWPEHK-UHFFFAOYSA-N 0 0 248.282 2.196 50 5 BEBARN O=C(NC1CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000376481 182100179 /nfs/dbraw/zinc/10/01/79/182100179.db2.gz VURCMGNFKJWPER-UHFFFAOYSA-N 0 0 240.646 2.140 50 5 BEBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000004677007 182363065 /nfs/dbraw/zinc/36/30/65/182363065.db2.gz MAZXUHRZYOFMGU-UHFFFAOYSA-N 0 0 243.222 2.242 50 5 BEBARN O=C(Oc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000000070834 182609822 /nfs/dbraw/zinc/60/98/22/182609822.db2.gz VPURSXJZQOVIPV-UHFFFAOYSA-N 0 0 233.179 2.407 50 5 BEBARN O=C(c1ccc([N+](=O)[O-])s1)N1CCCCC1 ZINC000012903825 182665281 /nfs/dbraw/zinc/66/52/81/182665281.db2.gz PRLMSDMZGGCNJV-UHFFFAOYSA-N 0 0 240.284 2.282 50 5 BEBARN O=[N+]([O-])c1ccc(-c2csnn2)cc1 ZINC000000106252 182926413 /nfs/dbraw/zinc/92/64/13/182926413.db2.gz VLRKUBATYOJPSP-UHFFFAOYSA-N 0 0 207.214 2.113 50 5 BEBARN O=[N+]([O-])c1ccccc1CN1CCSCC1 ZINC000055543035 182950082 /nfs/dbraw/zinc/95/00/82/182950082.db2.gz GBCGPEHUOBBPPQ-UHFFFAOYSA-N 0 0 238.312 2.144 50 5 BEBARN O=[N+]([O-])c1ccc(OCC(F)F)cc1 ZINC000012395034 182940115 /nfs/dbraw/zinc/94/01/15/182940115.db2.gz KRXKWFVOIJTODE-UHFFFAOYSA-N 0 0 203.144 2.239 50 5 BEBARN O=[N+]([O-])c1c[nH]nc1Nc1ccc(F)cc1 ZINC000004002960 182956786 /nfs/dbraw/zinc/95/67/86/182956786.db2.gz WZEBZIAPJQDLJV-UHFFFAOYSA-N 0 0 222.179 2.201 50 5 BEBARN CCCONC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004317490 169310967 /nfs/dbraw/zinc/31/09/67/169310967.db2.gz JNBJWLQEVHXZIO-UHFFFAOYSA-N 0 0 239.231 2.058 50 5 BEBARN CCCOc1c(C)cc(N)cc1[N+](=O)[O-] ZINC000007023436 169312936 /nfs/dbraw/zinc/31/29/36/169312936.db2.gz FOMPROSWPGGXAZ-UHFFFAOYSA-N 0 0 210.233 2.274 50 5 BEBARN CCCn1cc(Nc2ccncc2[N+](=O)[O-])cn1 ZINC000096429794 169620972 /nfs/dbraw/zinc/62/09/72/169620972.db2.gz JNTZUAARFMTUPQ-UHFFFAOYSA-N 0 0 247.258 2.340 50 5 BEBARN COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000000266315 383995933 /nfs/dbraw/zinc/99/59/33/383995933.db2.gz LDMFHKPYABXOLR-UHFFFAOYSA-N 0 0 248.194 2.036 50 5 BEBARN CCCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000004676540 384053912 /nfs/dbraw/zinc/05/39/12/384053912.db2.gz CMCACCXEQJERIG-UHFFFAOYSA-N 0 0 236.271 2.433 50 5 BEBARN Cc1noc(/C=C/c2ccccn2)c1[N+](=O)[O-] ZINC000004385327 384341423 /nfs/dbraw/zinc/34/14/23/384341423.db2.gz KLRVKNBMJQMFMS-AATRIKPKSA-N 0 0 231.211 2.457 50 5 BEBARN CC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000095708176 384391095 /nfs/dbraw/zinc/39/10/95/384391095.db2.gz YVUJOZKEYOULOV-UHFFFAOYSA-N 0 0 207.229 2.461 50 5 BEBARN CCOc1c(F)cc(F)cc1[N+](=O)[O-] ZINC000263625240 385008483 /nfs/dbraw/zinc/00/84/83/385008483.db2.gz YADWVVSRBSSIIA-UHFFFAOYSA-N 0 0 203.144 2.272 50 5 BEBARN CCOC(=O)/C=C/c1cc([N+](=O)[O-])ccc1F ZINC000072190694 385038876 /nfs/dbraw/zinc/03/88/76/385038876.db2.gz MIOPWTLOGXFJHE-ZZXKWVIFSA-N 0 0 239.202 2.310 50 5 BEBARN O=[N+]([O-])c1ccc2[nH]c(C(F)F)nc2c1 ZINC000072265957 385144597 /nfs/dbraw/zinc/14/45/97/385144597.db2.gz UYYBCQBMLAMMSG-UHFFFAOYSA-N 0 0 213.143 2.409 50 5 BEBARN Cc1ccc(C(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000005547411 385160597 /nfs/dbraw/zinc/16/05/97/385160597.db2.gz SVQHXSQLXAKSHM-UHFFFAOYSA-N 0 0 236.271 2.289 50 5 BEBARN CN(C)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000000122197 385235655 /nfs/dbraw/zinc/23/56/55/385235655.db2.gz NMLRNMMRKWXQLD-UHFFFAOYSA-N 0 0 245.076 2.423 50 5 BEBARN Cc1cc(Br)cc([N+](=O)[O-])c1N ZINC000003884500 385836617 /nfs/dbraw/zinc/83/66/17/385836617.db2.gz ZXFVKFUXKFPUQJ-UHFFFAOYSA-N 0 0 231.049 2.248 50 5 BEBARN CCC1(c2ccc([N+](=O)[O-])cc2)OCCO1 ZINC000005917949 386518401 /nfs/dbraw/zinc/51/84/01/386518401.db2.gz YMSMDYNWHLAKKW-UHFFFAOYSA-N 0 0 223.228 2.204 50 5 BEBARN Cc1ccc(Oc2ncccc2[N+](=O)[O-])cn1 ZINC000049099864 386637423 /nfs/dbraw/zinc/63/74/23/386637423.db2.gz UAFAAGJJZJZLHR-UHFFFAOYSA-N 0 0 231.211 2.486 50 5 BEBARN O=[N+]([O-])c1ccc(OCCCn2ccnc2)cc1 ZINC000039425617 387693440 /nfs/dbraw/zinc/69/34/40/387693440.db2.gz GYVYWAUONFWZDV-UHFFFAOYSA-N 0 0 247.254 2.260 50 5 BEBARN O=[N+]([O-])c1cc(Br)cc([N+](=O)[O-])c1 ZINC000002000723 387700015 /nfs/dbraw/zinc/70/00/15/387700015.db2.gz OLDMYNWXIGPOCI-UHFFFAOYSA-N 0 0 247.004 2.266 50 5 BEBARN O=[N+]([O-])c1cccnc1OCCC(F)(F)F ZINC000169725766 387974631 /nfs/dbraw/zinc/97/46/31/387974631.db2.gz IZGHSOQXODIMLX-UHFFFAOYSA-N 0 0 236.149 2.321 50 5 BEBARN CCCCNC(=O)Oc1cccc([N+](=O)[O-])c1 ZINC000002156329 388354964 /nfs/dbraw/zinc/35/49/64/388354964.db2.gz MTVQXNBIPCUIOT-UHFFFAOYSA-N 0 0 238.243 2.483 50 5 BEBARN CCOC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000016892208 388368556 /nfs/dbraw/zinc/36/85/56/388368556.db2.gz PFBQVGXIMLXCQB-YVMONPNESA-N 0 0 221.212 2.171 50 5 BEBARN COc1ccc(CCn2cnc([N+](=O)[O-])c2)cc1 ZINC000058158921 388376789 /nfs/dbraw/zinc/37/67/89/388376789.db2.gz NSSKKEPTYYCNCQ-UHFFFAOYSA-N 0 0 247.254 2.043 50 5 BEBARN O=C1CC(=O)CC(c2cccc([N+](=O)[O-])c2)C1 ZINC000040448142 388415822 /nfs/dbraw/zinc/41/58/22/388415822.db2.gz PEJXMVITLPCURR-UHFFFAOYSA-N 0 0 233.223 2.001 50 5 BEBARN CCN(CC)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000065740242 388678436 /nfs/dbraw/zinc/67/84/36/388678436.db2.gz HFSQKWOCPGQJCY-UHFFFAOYSA-N 0 0 236.271 2.006 50 5 in-vitro BEBARN CNc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000019735110 388747292 /nfs/dbraw/zinc/74/72/92/388747292.db2.gz UFFBYIGPCGICNB-UHFFFAOYSA-N 0 0 221.138 2.050 50 5 BEBARN CCOCCSc1ccc([N+](=O)[O-])c(C)n1 ZINC000095966051 388795676 /nfs/dbraw/zinc/79/56/76/388795676.db2.gz GSNYHDHWDZGHKP-UHFFFAOYSA-N 0 0 242.300 2.427 50 5 BEBARN O=[N+]([O-])c1ccc(CCOCc2ncc[nH]2)cc1 ZINC000095990976 388801857 /nfs/dbraw/zinc/80/18/57/388801857.db2.gz WQJSRMVKXLQICF-UHFFFAOYSA-N 0 0 247.254 2.077 50 5 BEBARN CC(C)(C)SCCn1cnc([N+](=O)[O-])c1 ZINC000282651808 388818327 /nfs/dbraw/zinc/81/83/27/388818327.db2.gz MPWREETYRJPGFC-UHFFFAOYSA-N 0 0 229.305 2.323 50 5 BEBARN CC(C)(C)[C@@H](CO)Nc1ccccc1[N+](=O)[O-] ZINC000097237212 388835540 /nfs/dbraw/zinc/83/55/40/388835540.db2.gz BKFPNTLTVHVUHM-LLVKDONJSA-N 0 0 238.287 2.414 50 5 BEBARN CC1CCN(c2ccc([N+](=O)[O-])cc2N)CC1 ZINC000049934306 132228229 /nfs/dbraw/zinc/22/82/29/132228229.db2.gz HRGLDICANUYMDA-UHFFFAOYSA-N 0 0 235.287 2.413 50 5 BEBARN Nc1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000004126590 132315997 /nfs/dbraw/zinc/31/59/97/132315997.db2.gz DMIMWGHYIPFAIF-UHFFFAOYSA-N 0 0 221.260 2.167 50 5 BEBARN CCN1CCCc2ccc([N+](=O)[O-])cc21 ZINC000022011245 132332374 /nfs/dbraw/zinc/33/23/74/132332374.db2.gz TUCATNRJGJWEKT-UHFFFAOYSA-N 0 0 206.245 2.367 50 5 BEBARN Cc1cc([N+](=O)[O-])cnc1Sc1ncco1 ZINC000408514858 134808538 /nfs/dbraw/zinc/80/85/38/134808538.db2.gz PMOXJDBELSNCAX-UHFFFAOYSA-N 0 0 237.240 2.437 50 5 BEBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000000465312 410521142 /nfs/dbraw/zinc/52/11/42/410521142.db2.gz SOLNJTJBMYNOHD-BQYQJAHWSA-N 0 0 246.266 2.230 50 5 BEBARN CC(C)(C)OC(=O)n1ccc([N+](=O)[O-])c1 ZINC000261494350 166674858 /nfs/dbraw/zinc/67/48/58/166674858.db2.gz VNQWHGKCPXVNQD-UHFFFAOYSA-N 0 0 212.205 2.180 50 5 BEBARN CC(C)(C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000071900429 166700766 /nfs/dbraw/zinc/70/07/66/166700766.db2.gz XEWRCSYFEJUJTH-NSHDSACASA-N 0 0 238.287 2.414 50 5 BEBARN CC(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012505827 167080465 /nfs/dbraw/zinc/08/04/65/167080465.db2.gz XGVIFLDCYYMICD-UHFFFAOYSA-N 0 0 223.232 2.125 50 5 BEBARN CC(C)Oc1ccc(C=O)cc1[N+](=O)[O-] ZINC000020156219 167291868 /nfs/dbraw/zinc/29/18/68/167291868.db2.gz UXEDVOJZLGKYHD-UHFFFAOYSA-N 0 0 209.201 2.195 50 5 BEBARN CCC(=O)Oc1cc([N+](=O)[O-])c(F)cc1F ZINC000012336322 168250983 /nfs/dbraw/zinc/25/09/83/168250983.db2.gz QUJZSZNNEUTLIE-UHFFFAOYSA-N 0 0 231.154 2.188 50 5 BEBARN CCOC(=O)CSc1ccccc1[N+](=O)[O-] ZINC000000303760 170229732 /nfs/dbraw/zinc/22/97/32/170229732.db2.gz IRJBUPPYBALQKJ-UHFFFAOYSA-N 0 0 241.268 2.250 50 5 BEBARN CCOC(=O)c1cc([N+](=O)[O-])c(Cl)s1 ZINC000071787955 170292831 /nfs/dbraw/zinc/29/28/31/170292831.db2.gz VJKXMTCBMRGJIE-UHFFFAOYSA-N 0 0 235.648 2.486 50 5 BEBARN CC[C@H](C)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000005665622 171256182 /nfs/dbraw/zinc/25/61/82/171256182.db2.gz VVMKCWZIRKHGHI-YFKPBYRVSA-N 0 0 229.261 2.036 50 5 BEBARN CC[C@](C)([N+](=O)[O-])C1([N+](=O)[O-])CCCCC1 ZINC000002141629 171708368 /nfs/dbraw/zinc/70/83/68/171708368.db2.gz JGDVBWIUHFZXOF-VIFPVBQESA-N 0 0 230.264 2.411 50 5 BEBARN CCc1cc(CNc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000071900465 171759209 /nfs/dbraw/zinc/75/92/09/171759209.db2.gz ABCZYQKXXLMCSS-UHFFFAOYSA-N 0 0 246.270 2.492 50 5 BEBARN CN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000020458688 172581121 /nfs/dbraw/zinc/58/11/21/172581121.db2.gz CJDOYGOANMFTGB-UHFFFAOYSA-N 0 0 235.165 2.075 50 5 BEBARN CN(Cc1cccnc1)c1ccc([N+](=O)[O-])cn1 ZINC000032735905 172887036 /nfs/dbraw/zinc/88/70/36/172887036.db2.gz XUNOZBKOXGQNPB-UHFFFAOYSA-N 0 0 244.254 2.021 50 5 BEBARN COCCCOc1ccc(C)c([N+](=O)[O-])c1 ZINC000097114992 174257038 /nfs/dbraw/zinc/25/70/38/174257038.db2.gz SDJIHNQKYQMNNJ-UHFFFAOYSA-N 0 0 225.244 2.319 50 5 BEBARN COc1cc(C)nc(SC)c1[N+](=O)[O-] ZINC000039149702 174974030 /nfs/dbraw/zinc/97/40/30/174974030.db2.gz ISYXCVKTDGNPKE-UHFFFAOYSA-N 0 0 214.246 2.029 50 5 BEBARN COc1cc2ccc(C)nc2c([N+](=O)[O-])c1 ZINC000001701723 175017708 /nfs/dbraw/zinc/01/77/08/175017708.db2.gz XATLPIDKCYRSNH-UHFFFAOYSA-N 0 0 218.212 2.460 50 5 BEBARN COc1cc([N+](=O)[O-])c(F)cc1Cl ZINC000000170104 175017931 /nfs/dbraw/zinc/01/79/31/175017931.db2.gz CRONHBXGPYQWHX-UHFFFAOYSA-N 0 0 205.572 2.396 50 5 BEBARN COc1ccccc1Nc1n[nH]c(C)c1[N+](=O)[O-] ZINC000003998420 175339656 /nfs/dbraw/zinc/33/96/56/175339656.db2.gz PQLOAZPFBIPYKM-UHFFFAOYSA-N 0 0 248.242 2.379 50 5 BEBARN COc1ncnc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000004826135 175414113 /nfs/dbraw/zinc/41/41/13/175414113.db2.gz NXICVIHOQPHQFD-UHFFFAOYSA-N 0 0 246.226 2.137 50 5 BEBARN C[C@H](C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000000471989 176561872 /nfs/dbraw/zinc/56/18/72/176561872.db2.gz QNBWJBXYYLFGOE-JTQLQIEISA-N 0 0 248.282 2.321 50 5 BEBARN Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(C)(=O)=O ZINC000097047744 487821851 /nfs/dbraw/zinc/82/18/51/487821851.db2.gz VTCJFPLKWHPYMM-QMMMGPOBSA-N 0 0 243.284 2.009 50 5 BEBARN COC(=O)c1cccc2c(/C=C/[N+](=O)[O-])c[nH]c21 ZINC000000236346 488019980 /nfs/dbraw/zinc/01/99/80/488019980.db2.gz ZIWUVIOQXRVBSU-AATRIKPKSA-N 0 0 246.222 2.202 50 5 BEBARN Cc1nn([C@H](C)c2ccccn2)c(C)c1[N+](=O)[O-] ZINC000952880586 974056422 /nfs/dbraw/zinc/05/64/22/974056422.db2.gz WGNOLAHYDUFEFS-SECBINFHSA-N 0 0 246.270 2.412 50 5 BEBARN O=[N+]([O-])c1cc2[nH]nc(Cl)c2c(F)c1 ZINC000014983723 136208257 /nfs/dbraw/zinc/20/82/57/136208257.db2.gz HETKCEGRFLRGPE-UHFFFAOYSA-N 0 0 215.571 2.264 50 5 BEBARN Cc1ccc(OC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000095438578 398193165 /nfs/dbraw/zinc/19/31/65/398193165.db2.gz DGEUHRQGHZMOOJ-JTQLQIEISA-N 0 0 237.255 2.319 50 5 BEBARN CCOCOc1ccc([N+](=O)[O-])cc1C ZINC000170594955 361769670 /nfs/dbraw/zinc/76/96/70/361769670.db2.gz ACIWJKBBNOPKID-UHFFFAOYSA-N 0 0 211.217 2.276 50 5 BEBARN Cc1cc([N+](=O)[O-])cc(Br)c1N ZINC000003884499 178269649 /nfs/dbraw/zinc/26/96/49/178269649.db2.gz DCNWQCOXGLGSRC-UHFFFAOYSA-N 0 0 231.049 2.248 50 5 BEBARN Cc1cc([N+](=O)[O-])cnc1OCC(C)C ZINC000261494347 178275131 /nfs/dbraw/zinc/27/51/31/178275131.db2.gz VMGTYXYGZNPCMW-UHFFFAOYSA-N 0 0 210.233 2.333 50 5 BEBARN O=[N+]([O-])c1ccc2c(c1)nc1ccccn12 ZINC000001423122 342700346 /nfs/dbraw/zinc/70/03/46/342700346.db2.gz UZKUAAKXKWTZJN-UHFFFAOYSA-N 0 0 213.196 2.396 50 5 BEBARN CCCC(=O)Oc1ccccc1[N+](=O)[O-] ZINC000001597235 342704993 /nfs/dbraw/zinc/70/49/93/342704993.db2.gz DMBLCROMMOZRCN-UHFFFAOYSA-N 0 0 209.201 2.300 50 5 BEBARN C[C@H](O)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004401843 342747774 /nfs/dbraw/zinc/74/77/74/342747774.db2.gz XVONMMVMTMGHJV-LURJTMIESA-N 0 0 230.651 2.041 50 5 BEBARN CCc1nc(COc2cccc([N+](=O)[O-])c2)no1 ZINC000059962038 342878004 /nfs/dbraw/zinc/87/80/04/342878004.db2.gz RWLRTPXQRQHSAR-UHFFFAOYSA-N 0 0 249.226 2.119 50 5 BEBARN Nc1c2cccc3c2c(cc1[N+](=O)[O-])CC3 ZINC000004558847 342889313 /nfs/dbraw/zinc/88/93/13/342889313.db2.gz VWJYDQVCIUABSV-UHFFFAOYSA-N 0 0 214.224 2.429 50 5 BEBARN C[C@@H](C1CC1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000032906788 342901686 /nfs/dbraw/zinc/90/16/86/342901686.db2.gz DUAINLLWZHJWAT-QMMMGPOBSA-N 0 0 221.260 2.225 50 5 BEBARN O=[N+]([O-])c1cc2c(cc1CC1CC1)OCCO2 ZINC000000032518 344016085 /nfs/dbraw/zinc/01/60/85/344016085.db2.gz LMMWLAGBPVCKCX-UHFFFAOYSA-N 0 0 235.239 2.319 50 5 BEBARN COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000141143622 343090219 /nfs/dbraw/zinc/09/02/19/343090219.db2.gz SHFZCNVCHWMUCS-UHFFFAOYSA-N 0 0 235.239 2.190 50 5 BEBARN O=[N+]([O-])c1cc(F)ccc1OC(F)F ZINC000047203260 343558382 /nfs/dbraw/zinc/55/83/82/343558382.db2.gz DTAHCVYYHHVFEU-UHFFFAOYSA-N 0 0 207.107 2.335 50 5 BEBARN O=[N+]([O-])c1ccccc1-c1ccc(CO)o1 ZINC000000530918 346982927 /nfs/dbraw/zinc/98/29/27/346982927.db2.gz CQXMSZDBQVMXPD-UHFFFAOYSA-N 0 0 219.196 2.347 50 5 BEBARN CSc1cc(N)c2ncccc2c1[N+](=O)[O-] ZINC000004772983 344205986 /nfs/dbraw/zinc/20/59/86/344205986.db2.gz FKIOZUDFAHLSAW-UHFFFAOYSA-N 0 0 235.268 2.447 50 5 BEBARN Cc1c(NC(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000004842166 344511542 /nfs/dbraw/zinc/51/15/42/344511542.db2.gz HJHBLGXGUOPGMY-UHFFFAOYSA-N 0 0 222.244 2.498 50 5 BEBARN Cc1ccc(C2=NC(C)(C)CO2)cc1[N+](=O)[O-] ZINC000000178019 344592458 /nfs/dbraw/zinc/59/24/58/344592458.db2.gz VEVSUBRJQDPOBA-UHFFFAOYSA-N 0 0 234.255 2.459 50 5 BEBARN O=C(Oc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000000240603 344656499 /nfs/dbraw/zinc/65/64/99/344656499.db2.gz AMCMUNXZTQTJAJ-UHFFFAOYSA-N 0 0 244.206 2.209 50 5 BEBARN CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000261122 344666437 /nfs/dbraw/zinc/66/64/37/344666437.db2.gz CWRIIGJCKWITQT-UHFFFAOYSA-N 0 0 222.244 2.123 50 5 BEBARN O=[N+]([O-])c1ccc(N2CCCC2)c(F)c1 ZINC000005046829 344917503 /nfs/dbraw/zinc/91/75/03/344917503.db2.gz SMKXLBISYVJESG-UHFFFAOYSA-N 0 0 210.208 2.334 50 5 BEBARN Nc1cc(F)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000039170156 345951921 /nfs/dbraw/zinc/95/19/21/345951921.db2.gz UTRVMCDXCUQEEJ-UHFFFAOYSA-N 0 0 224.113 2.335 50 5 BEBARN C/C(=C\c1ccc2c(c1)OCCO2)[N+](=O)[O-] ZINC000005282355 346179948 /nfs/dbraw/zinc/17/99/48/346179948.db2.gz FJRNEBOFQOYXSK-SOFGYWHQSA-N 0 0 221.212 2.095 50 5 BEBARN Cc1c(C(=O)NCC(C)C)cccc1[N+](=O)[O-] ZINC000005537060 346248661 /nfs/dbraw/zinc/24/86/61/346248661.db2.gz YSQBSYJGEKGTMW-UHFFFAOYSA-N 0 0 236.271 2.289 50 5 BEBARN Cc1cccc(Cn2cc([N+](=O)[O-])cn2)c1 ZINC000002597794 179110131 /nfs/dbraw/zinc/11/01/31/179110131.db2.gz RWAXUQGGIRTSSW-UHFFFAOYSA-N 0 0 217.228 2.148 50 5 BEBARN CCCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000004792545 168564076 /nfs/dbraw/zinc/56/40/76/168564076.db2.gz QYTAXIIQSIQLGK-UHFFFAOYSA-N 0 0 238.243 2.342 50 5 BEBARN Cc1cccc(Nc2ncnc(N)c2[N+](=O)[O-])c1 ZINC000004059571 179159887 /nfs/dbraw/zinc/15/98/87/179159887.db2.gz DGUXJMSCRVIGAP-UHFFFAOYSA-N 0 0 245.242 2.019 50 5 BEBARN Cc1cccc(Oc2ncnc(N)c2[N+](=O)[O-])c1 ZINC000004059603 179176231 /nfs/dbraw/zinc/17/62/31/179176231.db2.gz GGPMICYEIDJINC-UHFFFAOYSA-N 0 0 246.226 2.068 50 5 BEBARN Cc1cccc2cc3cnc(N)nc3nc12 ZINC000012404971 179228226 /nfs/dbraw/zinc/22/82/26/179228226.db2.gz VLZOWNSVYCHDRW-UHFFFAOYSA-N 0 0 210.240 2.069 50 5 BEBARN Cc1ccccc1Cn1cc([N+](=O)[O-])cn1 ZINC000004821326 179294515 /nfs/dbraw/zinc/29/45/15/179294515.db2.gz SFSCAGXYDCYWTC-UHFFFAOYSA-N 0 0 217.228 2.148 50 5 BEBARN CCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000038537048 362938383 /nfs/dbraw/zinc/93/83/83/362938383.db2.gz MPQWRVZHBRBTEK-UHFFFAOYSA-N 0 0 219.200 2.207 50 5 BEBARN O=Cc1ccc([N+](=O)[O-])c(N2CCCC2)c1 ZINC000095081365 191054299 /nfs/dbraw/zinc/05/42/99/191054299.db2.gz NTDDAGQZSXRLOO-UHFFFAOYSA-N 0 0 220.228 2.008 50 5 BEBARN Cn1c(=O)ccc2ccc3cccnc3c21 ZINC000000391504 350332649 /nfs/dbraw/zinc/33/26/49/350332649.db2.gz IXAWJXFNSQYESB-UHFFFAOYSA-N 0 0 210.236 2.087 50 5 BEBARN Cc1cnn(-c2ccc([N+](=O)[O-])cc2F)c1 ZINC000012396474 350456916 /nfs/dbraw/zinc/45/69/16/350456916.db2.gz XWSIOZRQTUSIGV-UHFFFAOYSA-N 0 0 221.191 2.228 50 5 BEBARN Cc1nccn1-c1ccc([N+](=O)[O-])cc1F ZINC000012399106 350466569 /nfs/dbraw/zinc/46/65/69/350466569.db2.gz OFQPXQKCDVRGCK-UHFFFAOYSA-N 0 0 221.191 2.228 50 5 BEBARN C/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000004793897 191120257 /nfs/dbraw/zinc/12/02/57/191120257.db2.gz MTLUGHXVCAAHEJ-ONEGZZNKSA-N 0 0 220.228 2.418 50 5 BEBARN COc1cc(C2CC2)c([N+](=O)[O-])cc1OC ZINC000001076456 350996493 /nfs/dbraw/zinc/99/64/93/350996493.db2.gz KWIZWUXKDKTSJW-UHFFFAOYSA-N 0 0 223.228 2.489 50 5 BEBARN Cc1sc(-c2nsc(=O)o2)cc1[N+](=O)[O-] ZINC000002473735 180556621 /nfs/dbraw/zinc/55/66/21/180556621.db2.gz ILBBOKHACYTXRK-UHFFFAOYSA-N 0 0 244.253 2.041 50 5 BEBARN CN(C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000004017773 352556120 /nfs/dbraw/zinc/55/61/20/352556120.db2.gz PLVYZUHJIZHLQZ-UHFFFAOYSA-N 0 0 217.228 2.209 50 5 BEBARN O=[N+]([O-])c1ccc([C@@H]2OCCS2)cc1 ZINC000006093230 188225243 /nfs/dbraw/zinc/22/52/43/188225243.db2.gz SXYNPHRNAFQAKD-SECBINFHSA-N 0 0 211.242 2.357 50 5 BEBARN O=[N+]([O-])c1cc2c(cc1Br)OCO2 ZINC000001443425 355367143 /nfs/dbraw/zinc/36/71/43/355367143.db2.gz WXXFALFBNSJISM-UHFFFAOYSA-N 0 0 246.016 2.086 50 5 BEBARN O=[N+]([O-])c1cncc(Cl)c1Br ZINC000035270284 356458494 /nfs/dbraw/zinc/45/84/94/356458494.db2.gz BFEIQRUZMAVRGH-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 BEBARN O=[N+]([O-])c1ccccc1OC(F)(F)F ZINC000016158139 356815855 /nfs/dbraw/zinc/81/58/55/356815855.db2.gz YTWBYJAWWKTPOV-UHFFFAOYSA-N 0 0 207.107 2.493 50 5 in-vitro BEBARN CC(=O)Nc1nc2cccc([N+](=O)[O-])c2s1 ZINC000006996000 361168993 /nfs/dbraw/zinc/16/89/93/361168993.db2.gz ZSAWZURPOGGWMY-UHFFFAOYSA-N 0 0 237.240 2.163 50 5 BEBARN NNc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000012428248 370874608 /nfs/dbraw/zinc/87/46/08/370874608.db2.gz DMYVUIAJZAMOOU-UHFFFAOYSA-N 0 0 222.031 2.187 50 5 BEBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1CO ZINC000002384181 370369112 /nfs/dbraw/zinc/36/91/12/370369112.db2.gz FQPWWEYTNHARPU-UHFFFAOYSA-N 0 0 221.134 2.106 50 5 BEBARN O=[N+]([O-])c1ccc(Cl)cc1-n1ccnc1 ZINC000010231816 370598497 /nfs/dbraw/zinc/59/84/97/370598497.db2.gz STRGYAXBWTXYMH-UHFFFAOYSA-N 0 0 223.619 2.434 50 5 BEBARN O=[N+]([O-])c1cc(F)ccc1Br ZINC000002516088 371139926 /nfs/dbraw/zinc/13/99/26/371139926.db2.gz XRXNWKIKQFEOGO-UHFFFAOYSA-N 0 0 219.997 2.496 50 5 BEBARN O=[N+]([O-])c1cccnc1NCc1ccco1 ZINC000019990858 371215374 /nfs/dbraw/zinc/21/53/74/371215374.db2.gz WWAMRFSOYGXKAR-UHFFFAOYSA-N 0 0 219.200 2.195 50 5 BEBARN O=[N+]([O-])c1cccnc1NCCc1ccncc1 ZINC000020421128 371279576 /nfs/dbraw/zinc/27/95/76/371279576.db2.gz VDTKDRPPWBMKFD-UHFFFAOYSA-N 0 0 244.254 2.039 50 5 BEBARN O=[N+]([O-])c1cccc(OCC(F)F)c1 ZINC000020348950 371269059 /nfs/dbraw/zinc/26/90/59/371269059.db2.gz BPPKMACCKQKGJG-UHFFFAOYSA-N 0 0 203.144 2.239 50 5 BEBARN O=[N+]([O-])c1cc(Br)cn2ccnc12 ZINC000020357521 371269325 /nfs/dbraw/zinc/26/93/25/371269325.db2.gz VJQWZCOWPZAAFG-UHFFFAOYSA-N 0 0 242.032 2.005 50 5 BEBARN O=Cc1ccc(OCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000020369767 371274974 /nfs/dbraw/zinc/27/49/74/371274974.db2.gz TVMUCTSEFLEMIS-UHFFFAOYSA-N 0 0 249.144 2.348 50 5 BEBARN Nc1nc(-c2ccccc2[N+](=O)[O-])cs1 ZINC000002597274 371608515 /nfs/dbraw/zinc/60/85/15/371608515.db2.gz JJERKMNYIBNFTE-UHFFFAOYSA-N 0 0 221.241 2.301 50 5 BEBARN CC(C)=CCC(C)(C)[C@@H](O)C[N+](=O)[O-] ZINC000002997367 371832118 /nfs/dbraw/zinc/83/21/18/371832118.db2.gz ZNRQGYSETWOLQP-VIFPVBQESA-N 0 0 201.266 2.007 50 5 BEBARN CCCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000003961533 372104768 /nfs/dbraw/zinc/10/47/68/372104768.db2.gz DPBOMJANGMJHMR-UHFFFAOYSA-N 0 0 238.243 2.342 50 5 BEBARN CCCCOc1ccc(N)c([N+](=O)[O-])c1 ZINC000004262489 372186367 /nfs/dbraw/zinc/18/63/67/372186367.db2.gz BBELMWNCSCNWAO-UHFFFAOYSA-N 0 0 210.233 2.356 50 5 BEBARN O=[N+]([O-])c1cnn(-c2nc3ccccc3s2)c1 ZINC000040216552 373116585 /nfs/dbraw/zinc/11/65/85/373116585.db2.gz NYUGIFIBHGTJKH-UHFFFAOYSA-N 0 0 246.251 2.390 50 5 BEBARN O=C(NC1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000000369319 182112702 /nfs/dbraw/zinc/11/27/02/182112702.db2.gz HDJQCPXCTJSUPW-UHFFFAOYSA-N 0 0 238.243 2.250 50 5 BEBARN O=C(NCc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000000059119 182263354 /nfs/dbraw/zinc/26/33/54/182263354.db2.gz UACAWKQFCADZEV-UHFFFAOYSA-N 0 0 246.222 2.118 50 5 BEBARN O=C(Nc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000000433226 182384641 /nfs/dbraw/zinc/38/46/41/182384641.db2.gz SUFBXXRIPSNILO-UHFFFAOYSA-N 0 0 243.222 2.242 50 5 BEBARN O=Cc1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000003886827 182863328 /nfs/dbraw/zinc/86/33/28/182863328.db2.gz FSYPVHLPBAAKIU-UHFFFAOYSA-N 0 0 220.228 2.008 50 5 BEBARN O=[N+]([O-])c1ccc(NCCc2ccccn2)nc1 ZINC000020031412 182936018 /nfs/dbraw/zinc/93/60/18/182936018.db2.gz CVOWNXLYIOLUSR-UHFFFAOYSA-N 0 0 244.254 2.039 50 5 BEBARN O=[N+]([O-])c1ccc(F)cc1Br ZINC000002569269 182932177 /nfs/dbraw/zinc/93/21/77/182932177.db2.gz VGYVBEJDXIPSDL-UHFFFAOYSA-N 0 0 219.997 2.496 50 5 BEBARN O=[N+]([O-])c1ccc(F)cc1N[C@H]1CCC[C@H]1O ZINC000225724191 182934029 /nfs/dbraw/zinc/93/40/29/182934029.db2.gz UKGJUSBSYPVXLQ-GZMMTYOYSA-N 0 0 240.234 2.059 50 5 BEBARN O=[N+]([O-])c1cccc(OC(F)(F)F)c1 ZINC000000167144 182946873 /nfs/dbraw/zinc/94/68/73/182946873.db2.gz QBWJNDOQIAARBT-UHFFFAOYSA-N 0 0 207.107 2.493 50 5 BEBARN O=[N+]([O-])c1cccc2ncnc(Cl)c21 ZINC000095347691 182948123 /nfs/dbraw/zinc/94/81/23/182948123.db2.gz DLSCGOLGMJZMMZ-UHFFFAOYSA-N 0 0 209.592 2.191 50 5 BEBARN O=[N+]([O-])c1sccc1Br ZINC000000967480 182962195 /nfs/dbraw/zinc/96/21/95/182962195.db2.gz UYIHKIRPUMUUJX-UHFFFAOYSA-N 0 0 208.036 2.419 50 5 BEBARN ON=c1ccc2nc3ccccc3nc2cc1 ZINC000000459078 183172357 /nfs/dbraw/zinc/17/23/57/183172357.db2.gz XFPNSBAVJOQYPN-UHFFFAOYSA-N 0 0 223.235 2.073 50 5 BEBARN CCCOc1ccc([N+](=O)[O-])cc1NC(C)=O ZINC000001846541 169322434 /nfs/dbraw/zinc/32/24/34/169322434.db2.gz OPTZOXDYEFIPJZ-UHFFFAOYSA-N 0 0 238.243 2.342 50 5 endogenous,in-man BEBARN CCC[C@@H](C)C(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000004704362 169354273 /nfs/dbraw/zinc/35/42/73/169354273.db2.gz PUUALUYQFODUBU-ZCFIWIBFSA-N 0 0 243.288 2.426 50 5 BEBARN c1ccc2c(c1)nc1c3ccccc3nnn21 ZINC000000063369 383821244 /nfs/dbraw/zinc/82/12/44/383821244.db2.gz KPCXPWQRKNQBMW-UHFFFAOYSA-N 0 0 220.235 2.431 50 5 BEBARN COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000161532 383828888 /nfs/dbraw/zinc/82/88/88/383828888.db2.gz PICNSXCJRMYANX-UHFFFAOYSA-N 0 0 215.592 2.035 50 5 BEBARN CC(C)(C)c1cnnn1-c1ccc([N+](=O)[O-])cc1 ZINC000000192392 383895069 /nfs/dbraw/zinc/89/50/69/383895069.db2.gz FRAYZPDBVGAIJE-UHFFFAOYSA-N 0 0 246.270 2.473 50 5 BEBARN CCC[C@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000071900410 384052515 /nfs/dbraw/zinc/05/25/15/384052515.db2.gz KFIYPGWKQXWIJA-NSHDSACASA-N 0 0 224.260 2.168 50 5 BEBARN C[C@@H]1Cc2cccc(/C=C/[N+](=O)[O-])c2O1 ZINC000004837805 384083497 /nfs/dbraw/zinc/08/34/97/384083497.db2.gz QMOOMHGHQYTCLO-HQZHTGGTSA-N 0 0 205.213 2.257 50 5 BEBARN CCC[C@H](O)CNc1cccc(F)c1[N+](=O)[O-] ZINC000071900406 384054660 /nfs/dbraw/zinc/05/46/60/384054660.db2.gz VNGKVFQJAODYKS-QMMMGPOBSA-N 0 0 242.250 2.307 50 5 BEBARN Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)n1 ZINC000000342230 384080562 /nfs/dbraw/zinc/08/05/62/384080562.db2.gz VBXGZWUYNBXRNM-UHFFFAOYSA-N 0 0 247.210 2.144 50 5 BEBARN COc1nccc2c1cccc2[N+](=O)[O-] ZINC000000353580 384104828 /nfs/dbraw/zinc/10/48/28/384104828.db2.gz CAXSRYRPMLQNHD-UHFFFAOYSA-N 0 0 204.185 2.152 50 5 BEBARN Cc1ccnc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000000375212 384150732 /nfs/dbraw/zinc/15/07/32/384150732.db2.gz NNBAZVUVMQINHE-UHFFFAOYSA-N 0 0 247.210 2.144 50 5 BEBARN O=c1oc2ccc(F)cc2c(Cl)c1[N+](=O)[O-] ZINC000000058085 384446318 /nfs/dbraw/zinc/44/63/18/384446318.db2.gz HNGGDISWABEPNU-UHFFFAOYSA-N 0 0 243.577 2.494 50 5 BEBARN O=[N+]([O-])c1c(F)cccc1OC(F)F ZINC000047203262 384443503 /nfs/dbraw/zinc/44/35/03/384443503.db2.gz WSPXZNIADKYBDH-UHFFFAOYSA-N 0 0 207.107 2.335 50 5 BEBARN CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000004823073 384616100 /nfs/dbraw/zinc/61/61/00/384616100.db2.gz IFTUKVAJYOQKRS-UHFFFAOYSA-N 0 0 231.049 2.399 50 5 BEBARN Cc1c(COc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000072334143 384979417 /nfs/dbraw/zinc/97/94/17/384979417.db2.gz KAONOTJWYGGXOE-UHFFFAOYSA-N 0 0 247.254 2.216 50 5 BEBARN CCOCCOc1ccccc1[N+](=O)[O-] ZINC000057950982 385060602 /nfs/dbraw/zinc/06/06/02/385060602.db2.gz YBMQABXNYDZJNE-UHFFFAOYSA-N 0 0 211.217 2.010 50 5 BEBARN Cc1cc(C(=O)OCCCF)ccc1[N+](=O)[O-] ZINC000096422150 385147107 /nfs/dbraw/zinc/14/71/07/385147107.db2.gz SZHOJCSWGFVHQI-UHFFFAOYSA-N 0 0 241.218 2.420 50 5 BEBARN O=Cc1cc(Br)c(F)cc1[N+](=O)[O-] ZINC000034519905 385284847 /nfs/dbraw/zinc/28/48/47/385284847.db2.gz LQFBETPMHZUCCK-UHFFFAOYSA-N 0 0 248.007 2.309 50 5 BEBARN O=[N+]([O-])c1cc2c[nH]nc2c(Br)c1 ZINC000001395178 386156059 /nfs/dbraw/zinc/15/60/59/386156059.db2.gz FSHPSRISCPOKKQ-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN COCC[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000045022731 386575138 /nfs/dbraw/zinc/57/51/38/386575138.db2.gz ZSVJZBNXMMEZSK-VIFPVBQESA-N 0 0 224.260 2.432 50 5 BEBARN Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cn1 ZINC000049099843 386638203 /nfs/dbraw/zinc/63/82/03/386638203.db2.gz ZSKGVSMKMUVSLD-UHFFFAOYSA-N 0 0 231.211 2.486 50 5 BEBARN O=Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000014989270 386648485 /nfs/dbraw/zinc/64/84/85/386648485.db2.gz GSXUXSXBEUJRAJ-UHFFFAOYSA-N 0 0 230.017 2.170 50 5 BEBARN COCc1noc(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000078774855 386799661 /nfs/dbraw/zinc/79/96/61/386799661.db2.gz KYPNUUJPTZSIAC-UHFFFAOYSA-N 0 0 249.226 2.100 50 5 BEBARN Cc1nccn1-c1ccccc1[N+](=O)[O-] ZINC000074937708 387482476 /nfs/dbraw/zinc/48/24/76/387482476.db2.gz TWNQAHMNBIOXCZ-UHFFFAOYSA-N 0 0 203.201 2.089 50 5 BEBARN O=Cc1cccc([N+](=O)[O-])c1Br ZINC000039410734 387631397 /nfs/dbraw/zinc/63/13/97/387631397.db2.gz ZAYPDOMLBUBLDN-UHFFFAOYSA-N 0 0 230.017 2.170 50 5 BEBARN CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000004428470 322813139 /nfs/dbraw/zinc/81/31/39/322813139.db2.gz YWANGSCDWBUSBK-UHFFFAOYSA-N 0 0 214.608 2.207 50 5 BEBARN CC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000057218507 388356796 /nfs/dbraw/zinc/35/67/96/388356796.db2.gz QBSQTWSZUGJUBI-UHFFFAOYSA-N 0 0 238.199 2.322 50 5 BEBARN CC(=O)Nc1ccc(C)c(C)c1[N+](=O)[O-] ZINC000004127884 388391217 /nfs/dbraw/zinc/39/12/17/388391217.db2.gz WIEZBVGFSIKQMC-UHFFFAOYSA-N 0 0 208.217 2.170 50 5 BEBARN COC(=O)c1ccc(-n2cccc2)c([N+](=O)[O-])c1 ZINC000008730017 388407407 /nfs/dbraw/zinc/40/74/07/388407407.db2.gz ZNWOHFKNSLRESW-UHFFFAOYSA-N 0 0 246.222 2.172 50 5 BEBARN CSc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000017395663 388423719 /nfs/dbraw/zinc/42/37/19/388423719.db2.gz KCUOEHDPFHWMRW-UHFFFAOYSA-N 0 0 240.284 2.019 50 5 BEBARN O=[N+]([O-])c1c2cccnc2ccc1-n1ccnc1 ZINC000111551620 388660830 /nfs/dbraw/zinc/66/08/30/388660830.db2.gz WMQOEBQHKAYJDM-UHFFFAOYSA-N 0 0 240.222 2.329 50 5 BEBARN CC1(C)Sc2cc([N+](=O)[O-])ccc2NC1=O ZINC000095644356 388782454 /nfs/dbraw/zinc/78/24/54/388782454.db2.gz JRZZDQYDACTKAV-UHFFFAOYSA-N 0 0 238.268 2.418 50 5 BEBARN CC(C)CCNc1ncccc1[N+](=O)[O-] ZINC000020863068 388786097 /nfs/dbraw/zinc/78/60/97/388786097.db2.gz QFXYPDMYRQXCQB-UHFFFAOYSA-N 0 0 209.249 2.448 50 5 BEBARN O=Cc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000095830164 388786539 /nfs/dbraw/zinc/78/65/39/388786539.db2.gz GWFTUORCGNGELH-UHFFFAOYSA-N 0 0 219.118 2.426 50 5 BEBARN Cc1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC000003844887 177637041 /nfs/dbraw/zinc/63/70/41/177637041.db2.gz KEPIENQOWOJEBQ-UHFFFAOYSA-N 0 0 216.580 2.465 50 5 BEBARN C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000004361865 132316780 /nfs/dbraw/zinc/31/67/80/132316780.db2.gz ZZBYVKYAISMKDR-NXEZZACHSA-N 0 0 236.271 2.208 50 5 BEBARN O=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000005390773 132317609 /nfs/dbraw/zinc/31/76/09/132317609.db2.gz WPONLEWKUHGAEI-UHFFFAOYSA-N 0 0 234.255 2.398 50 5 BEBARN Cc1cccc([N+](=O)[O-])c1N1CCCCC1=O ZINC000040545823 132348256 /nfs/dbraw/zinc/34/82/56/132348256.db2.gz OLXMOBCFXJNHRZ-UHFFFAOYSA-N 0 0 234.255 2.420 50 5 BEBARN O=[N+]([O-])c1ccc(N2CCCC(F)(F)C2)nc1 ZINC000169725770 132445647 /nfs/dbraw/zinc/44/56/47/132445647.db2.gz DXYDSNNEKNICQU-UHFFFAOYSA-N 0 0 243.213 2.225 50 5 BEBARN CC(C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000002742111 167087645 /nfs/dbraw/zinc/08/76/45/167087645.db2.gz FSCHKWCJROCPFQ-UHFFFAOYSA-N 0 0 242.662 2.386 50 5 BEBARN CC(C)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002164768 166993191 /nfs/dbraw/zinc/99/31/91/166993191.db2.gz QRPOVEXNNJZSOO-UHFFFAOYSA-N 0 0 237.259 2.372 50 5 BEBARN CC(C)OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000133331 167171753 /nfs/dbraw/zinc/17/17/53/167171753.db2.gz JSZSPHFHMMXJEU-UHFFFAOYSA-N 0 0 209.201 2.160 50 5 BEBARN CC(C)Oc1ccc([N+](=O)[O-])cc1C=O ZINC000020156213 167302253 /nfs/dbraw/zinc/30/22/53/167302253.db2.gz TZPVPJUHWLYGSL-UHFFFAOYSA-N 0 0 209.201 2.195 50 5 BEBARN CC1(C)Cc2ccccc2C(=C[N+](=O)[O-])N1 ZINC000101051186 410933785 /nfs/dbraw/zinc/93/37/85/410933785.db2.gz LYSULZNNIGWJNT-FLIBITNWSA-N 0 0 218.256 2.186 50 5 BEBARN CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000000038762 168247217 /nfs/dbraw/zinc/24/72/17/168247217.db2.gz XRWOREYTADZPQQ-UHFFFAOYSA-N 0 0 208.217 2.252 50 5 BEBARN CCC(=O)c1cccc([N+](=O)[O-])c1NC(C)=O ZINC000004796044 168259522 /nfs/dbraw/zinc/25/95/22/168259522.db2.gz KBDNZRRCHSIUKE-UHFFFAOYSA-N 0 0 236.227 2.146 50 5 BEBARN CCN1c2ccc([N+](=O)[O-])cc2C[C@@H]1C ZINC000071774307 170041423 /nfs/dbraw/zinc/04/14/23/170041423.db2.gz XSWGZWBYNSMUIM-QMMMGPOBSA-N 0 0 206.245 2.366 50 5 BEBARN CCNC(=S)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000007522806 170106310 /nfs/dbraw/zinc/10/63/10/170106310.db2.gz CALSBKZDXJSMND-UHFFFAOYSA-N 0 0 239.300 2.210 50 5 BEBARN CCNC(=S)Nc1cc([N+](=O)[O-])ccc1C ZINC000007522831 170106568 /nfs/dbraw/zinc/10/65/68/170106568.db2.gz YKQSEJPEDMSPFL-UHFFFAOYSA-N 0 0 239.300 2.210 50 5 BEBARN CCNc1cc(OCC)ccc1[N+](=O)[O-] ZINC000095494791 170173029 /nfs/dbraw/zinc/17/30/29/170173029.db2.gz HXENCKXLRLEUBN-UHFFFAOYSA-N 0 0 210.233 2.425 50 5 BEBARN CCOC(=O)NSc1ccccc1[N+](=O)[O-] ZINC000005592199 170242425 /nfs/dbraw/zinc/24/24/25/170242425.db2.gz HLKCHHWGHAJDEY-UHFFFAOYSA-N 0 0 242.256 2.348 50 5 BEBARN CCOC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001462761 170244142 /nfs/dbraw/zinc/24/41/42/170244142.db2.gz JWPGACMNGJBXHB-UHFFFAOYSA-N 0 0 210.189 2.163 50 5 BEBARN CCOC(=O)c1c(F)cc(F)cc1[N+](=O)[O-] ZINC000263623765 170288267 /nfs/dbraw/zinc/28/82/67/170288267.db2.gz KODAHIRBODKGKU-UHFFFAOYSA-N 0 0 231.154 2.050 50 5 BEBARN CCOC(=O)c1cc2c(cccc2[N+](=O)[O-])[nH]1 ZINC000001723128 170293882 /nfs/dbraw/zinc/29/38/82/170293882.db2.gz LXUABEANNNKOLF-UHFFFAOYSA-N 0 0 234.211 2.253 50 5 BEBARN CCOC(=O)c1ccc(OCC)cc1[N+](=O)[O-] ZINC000000346141 170296966 /nfs/dbraw/zinc/29/69/66/170296966.db2.gz NGISVMHTXLYNAP-UHFFFAOYSA-N 0 0 239.227 2.170 50 5 BEBARN CCOC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000000068082 170297722 /nfs/dbraw/zinc/29/77/22/170297722.db2.gz OAXJZQMFWBIRKF-UHFFFAOYSA-N 0 0 209.201 2.080 50 5 BEBARN CCOC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000095883455 170298618 /nfs/dbraw/zinc/29/86/18/170298618.db2.gz HOGARSMHWIZTTR-UHFFFAOYSA-N 0 0 229.619 2.425 50 5 BEBARN CCOC(=O)c1ccc2cccc([N+](=O)[O-])c2n1 ZINC000045954297 170298796 /nfs/dbraw/zinc/29/87/96/170298796.db2.gz BSGXMNIZQNXGJY-UHFFFAOYSA-N 0 0 246.222 2.320 50 5 BEBARN CC[C@@](C)(O)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000071899556 171186188 /nfs/dbraw/zinc/18/61/88/171186188.db2.gz LKILXSMLTQTUFL-GFCCVEGCSA-N 0 0 238.287 2.476 50 5 BEBARN COC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000014007565 173887441 /nfs/dbraw/zinc/88/74/41/173887441.db2.gz MLFKUEQFNLAOQT-UHFFFAOYSA-N 0 0 227.241 2.103 50 5 BEBARN COc1c(C(C)=O)cc(Cl)cc1[N+](=O)[O-] ZINC000002511069 174919591 /nfs/dbraw/zinc/91/95/91/174919591.db2.gz LITLMEXLPPVIHU-UHFFFAOYSA-N 0 0 229.619 2.459 50 5 BEBARN COc1cc([N+](=O)[O-])c(Cl)cc1NC(C)=O ZINC000004277069 175018069 /nfs/dbraw/zinc/01/80/69/175018069.db2.gz KQGNEXQCCNUZMT-UHFFFAOYSA-N 0 0 244.634 2.215 50 5 BEBARN COc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 ZINC000003132788 175018078 /nfs/dbraw/zinc/01/80/78/175018078.db2.gz OMIBXXIIDXRBFF-UHFFFAOYSA-N 0 0 232.579 2.165 50 5 BEBARN COc1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC000031777071 175029516 /nfs/dbraw/zinc/02/95/16/175029516.db2.gz MJFJWOAETHEGGW-UHFFFAOYSA-N 0 0 239.618 2.200 50 5 BEBARN C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000005515831 176095181 /nfs/dbraw/zinc/09/51/81/176095181.db2.gz KOGIRDSTNGPWMG-SNVBAGLBSA-N 0 0 248.282 2.467 50 5 BEBARN C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000005533625 177095000 /nfs/dbraw/zinc/09/50/00/177095000.db2.gz KOGIRDSTNGPWMG-JTQLQIEISA-N 0 0 248.282 2.467 50 5 BEBARN C[C@H]1Cc2cc(/C=C/[N+](=O)[O-])ccc2O1 ZINC000004838447 177388341 /nfs/dbraw/zinc/38/83/41/177388341.db2.gz QIJPIFGDBFLVHA-ZJELKQJVSA-N 0 0 205.213 2.257 50 5 BEBARN CCCCCCOC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000003833183 633129636 /nfs/dbraw/zinc/12/96/36/633129636.db2.gz KWRRXIVIAJNUBB-UHFFFAOYSA-N 0 0 241.247 2.055 50 5 BEBARN O=c1ccn(C/C(Cl)=C\Cl)cc1[N+](=O)[O-] ZINC000255073115 642443032 /nfs/dbraw/zinc/44/30/32/642443032.db2.gz UBEKVWOHGFEHBX-ZZXKWVIFSA-N 0 0 249.053 2.076 50 5 BEBARN Cc1nc2ccc([N+](=O)[O-])cc2c(=S)[nH]1 ZINC000015780538 1166640893 /nfs/dbraw/zinc/64/08/93/1166640893.db2.gz IQTDQTZHIGWCKV-UHFFFAOYSA-N 0 0 221.241 2.135 50 5 BEBARN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)no1 ZINC000000438998 178150416 /nfs/dbraw/zinc/15/04/16/178150416.db2.gz ZUBXSIDFUNTNSP-UHFFFAOYSA-N 0 0 247.210 2.144 50 5 BEBARN Cc1cc(N[C@@H](C)CO)c(Cl)cc1[N+](=O)[O-] ZINC000091013369 178178644 /nfs/dbraw/zinc/17/86/44/178178644.db2.gz OOZXGFUSHCJNBM-ZETCQYMHSA-N 0 0 244.678 2.349 50 5 BEBARN Cc1cc(N[C@H](C)CCO)ccc1[N+](=O)[O-] ZINC000072293787 178186303 /nfs/dbraw/zinc/18/63/03/178186303.db2.gz VICUFVMBVVIGQR-SECBINFHSA-N 0 0 224.260 2.086 50 5 BEBARN Cc1cc2sc(N)nc2c([N+](=O)[O-])c1 ZINC000005042461 178269918 /nfs/dbraw/zinc/26/99/18/178269918.db2.gz RCBABQGURHXXTH-UHFFFAOYSA-N 0 0 209.230 2.095 50 5 BEBARN Cc1cc([N+](=O)[O-])c(Br)cn1 ZINC000072188035 178270233 /nfs/dbraw/zinc/27/02/33/178270233.db2.gz MPZBNXOIDZWMKL-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 BEBARN Cc1cc([N+](=O)[O-])cc(Br)n1 ZINC000039644682 178270274 /nfs/dbraw/zinc/27/02/74/178270274.db2.gz BVBRVPXLHHOEMP-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 BEBARN Cc1cc([N+](=O)[O-])nn1Cc1ccccc1F ZINC000000341177 178275375 /nfs/dbraw/zinc/27/53/75/178275375.db2.gz FJJBECZXCHAOKU-UHFFFAOYSA-N 0 0 235.218 2.287 50 5 BEBARN Cc1cc2nc(C)n3c4ccccc4nc3n2n1 ZINC000000535211 178301183 /nfs/dbraw/zinc/30/11/83/178301183.db2.gz MDOVTGYACZMLDF-UHFFFAOYSA-N 0 0 237.266 2.147 50 5 BEBARN O=c1c2ccccc2nc2c3ccccc3cnn12 ZINC000000351550 342684682 /nfs/dbraw/zinc/68/46/82/342684682.db2.gz WJVXOWLIUZTXHT-UHFFFAOYSA-N 0 0 247.257 2.396 50 5 BEBARN CC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000004393805 342861086 /nfs/dbraw/zinc/86/10/86/342861086.db2.gz IYKZGBULZDWZMG-MRVPVSSYSA-N 0 0 236.271 2.432 50 5 BEBARN O=[N+]([O-])c1ccc(Cl)cc1NCCCO ZINC000004412553 342863336 /nfs/dbraw/zinc/86/33/36/342863336.db2.gz DODGYZMOMURJMU-UHFFFAOYSA-N 0 0 230.651 2.043 50 5 BEBARN CSCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000038063991 342875960 /nfs/dbraw/zinc/87/59/60/342875960.db2.gz WQGULFPZCYNHDU-UHFFFAOYSA-N 0 0 211.242 2.141 50 5 BEBARN Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 ZINC000000063299 344128087 /nfs/dbraw/zinc/12/80/87/344128087.db2.gz BRNYFWHUSAMSFB-UHFFFAOYSA-N 0 0 235.268 2.224 50 5 BEBARN O=[N+]([O-])c1ccc(C2OCCCO2)cc1 ZINC000000075337 344201512 /nfs/dbraw/zinc/20/15/12/344201512.db2.gz BNIKCZNNRBDPAY-UHFFFAOYSA-N 0 0 209.201 2.030 50 5 BEBARN Cc1nc(Cl)c([N+](=O)[O-])c(NC(C)C)n1 ZINC000004807029 344268045 /nfs/dbraw/zinc/26/80/45/344268045.db2.gz LDRCOYACNWCIRQ-UHFFFAOYSA-N 0 0 230.655 2.167 50 5 BEBARN Cc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1 ZINC000012627809 178666348 /nfs/dbraw/zinc/66/63/48/178666348.db2.gz FODVRWXXURQQGO-UHFFFAOYSA-N 0 0 217.228 2.148 50 5 BEBARN O=[N+]([O-])c1ccccc1OCC(F)F ZINC000012395201 344515457 /nfs/dbraw/zinc/51/54/57/344515457.db2.gz MMBPOWLRKHSHPW-UHFFFAOYSA-N 0 0 203.144 2.239 50 5 BEBARN O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC[C@@H]3O ZINC000000188379 344601484 /nfs/dbraw/zinc/60/14/84/344601484.db2.gz UAYFNQHKNNPZPP-NSHDSACASA-N 0 0 232.239 2.446 50 5 BEBARN CC(C)(C)Nc1ccc([N+](=O)[O-])c2nonc21 ZINC000005229847 345924008 /nfs/dbraw/zinc/92/40/08/345924008.db2.gz WXEWVQNUPPATBS-UHFFFAOYSA-N 0 0 236.231 2.341 50 5 BEBARN CC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000005495244 346241128 /nfs/dbraw/zinc/24/11/28/346241128.db2.gz XARDSBCDZPSYTN-UHFFFAOYSA-N 0 0 237.240 2.163 50 5 in-vitro BEBARN O=[N+]([O-])c1cccnc1Sc1ncccc1O ZINC000000481343 346608099 /nfs/dbraw/zinc/60/80/99/346608099.db2.gz UYJCQPBJQZKLPI-UHFFFAOYSA-N 0 0 249.251 2.242 50 5 BEBARN Cc1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000000314023 179399723 /nfs/dbraw/zinc/39/97/23/179399723.db2.gz YFSGTGJLLRVDJS-UHFFFAOYSA-N 0 0 203.201 2.089 50 5 BEBARN COc1nc(C)c(Br)cc1[N+](=O)[O-] ZINC000034435113 190985473 /nfs/dbraw/zinc/98/54/73/190985473.db2.gz VQVXYSCNTSWXJC-UHFFFAOYSA-N 0 0 247.048 2.069 50 5 BEBARN Cc1ncc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000095093475 180135875 /nfs/dbraw/zinc/13/58/75/180135875.db2.gz AFPQEILWSILMKP-UHFFFAOYSA-N 0 0 206.123 2.317 50 5 BEBARN Cc1nccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000004244871 180269646 /nfs/dbraw/zinc/26/96/46/180269646.db2.gz KBZYPLFJZZWFAW-UHFFFAOYSA-N 0 0 217.228 2.148 50 5 BEBARN Cc1nn(C)c(C)c1Nc1ccc([N+](=O)[O-])cn1 ZINC000025150324 180345561 /nfs/dbraw/zinc/34/55/61/180345561.db2.gz FIGZQCATSUVURU-UHFFFAOYSA-N 0 0 247.258 2.084 50 5 BEBARN Cc1noc(-c2ccc(N(C)C)c([N+](=O)[O-])c2)n1 ZINC000020897927 180459463 /nfs/dbraw/zinc/45/94/63/180459463.db2.gz WYDNKQAMYQWDMX-UHFFFAOYSA-N 0 0 248.242 2.019 50 5 BEBARN Cc1noc(/C=C/c2ccncc2)c1[N+](=O)[O-] ZINC000004709232 180460449 /nfs/dbraw/zinc/46/04/49/180460449.db2.gz MRFNZEUJMSUGTE-NSCUHMNNSA-N 0 0 231.211 2.457 50 5 BEBARN CC(=O)Nc1ccc(OC(F)F)cc1[N+](=O)[O-] ZINC000034762683 351262954 /nfs/dbraw/zinc/26/29/54/351262954.db2.gz QEQJDPGRNSQLFI-UHFFFAOYSA-N 0 0 246.169 2.155 50 5 BEBARN O=[N+]([O-])c1ccc(-c2cccc(O)c2)cn1 ZINC000725270270 538102826 /nfs/dbraw/zinc/10/28/26/538102826.db2.gz ZDWYGYKSKMHZGI-UHFFFAOYSA-N 0 0 216.196 2.362 50 5 BEBARN Cc1ccc(OCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000000312040 188099620 /nfs/dbraw/zinc/09/96/20/188099620.db2.gz PANVGCXRYUEUGE-UHFFFAOYSA-N 0 0 247.254 2.179 50 5 BEBARN CC(=O)SCc1ccc([N+](=O)[O-])cc1 ZINC000038997207 188117617 /nfs/dbraw/zinc/11/76/17/188117617.db2.gz HFWGVLOQUXAWPJ-UHFFFAOYSA-N 0 0 211.242 2.375 50 5 BEBARN COc1nc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000040448151 188117981 /nfs/dbraw/zinc/11/79/81/188117981.db2.gz NDLISMVDKRLKEN-UHFFFAOYSA-N 0 0 222.122 2.017 50 5 BEBARN CCCCOc1ccc([N+](=O)[O-])c(F)n1 ZINC000261494089 188193408 /nfs/dbraw/zinc/19/34/08/188193408.db2.gz POXKZFWKJIFWFH-UHFFFAOYSA-N 0 0 214.196 2.308 50 5 BEBARN O=[N+]([O-])c1cccc([N+](=O)[O-])c1Cl ZINC000001577556 356966491 /nfs/dbraw/zinc/96/64/91/356966491.db2.gz BPPMIQPXQVIZNJ-UHFFFAOYSA-N 0 0 202.553 2.156 50 5 BEBARN O=[N+]([O-])c1cccc(I)c1 ZINC000001666833 357076166 /nfs/dbraw/zinc/07/61/66/357076166.db2.gz CBYAZOKPJYBCHE-UHFFFAOYSA-N 0 0 249.007 2.199 50 5 in-vitro BEBARN Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000008383093 369004784 /nfs/dbraw/zinc/00/47/84/369004784.db2.gz GGGVOOMKPJYWDF-UHFFFAOYSA-N 0 0 241.159 2.028 50 5 in-vitro BEBARN CC1(C)COCN1Cc1ccc([N+](=O)[O-])cc1 ZINC000020445254 371282194 /nfs/dbraw/zinc/28/21/94/371282194.db2.gz WIECZSHEBAMWJL-UHFFFAOYSA-N 0 0 236.271 2.163 50 5 BEBARN Cc1c(N)c(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000003163906 371896783 /nfs/dbraw/zinc/89/67/83/371896783.db2.gz ASMQRJJKFPFKTB-UHFFFAOYSA-N 0 0 225.204 2.010 50 5 BEBARN CC(=O)Nc1cccc(Cl)c1[N+](=O)[O-] ZINC000004127813 372148546 /nfs/dbraw/zinc/14/85/46/372148546.db2.gz XQLWLASVOCDOCX-UHFFFAOYSA-N 0 0 214.608 2.207 50 5 BEBARN Cc1cc(C(=O)N2CCCC2)ccc1[N+](=O)[O-] ZINC000004144511 372149956 /nfs/dbraw/zinc/14/99/56/372149956.db2.gz CHGDIFKNAQDQBY-UHFFFAOYSA-N 0 0 234.255 2.139 50 5 BEBARN O=[N+]([O-])c1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000004255994 372184880 /nfs/dbraw/zinc/18/48/80/372184880.db2.gz OMBAIUNBSJSENC-SECBINFHSA-N 0 0 240.234 2.325 50 5 BEBARN Cc1cc(C)n([C@H](C[N+](=O)[O-])c2ccccc2)n1 ZINC000004275510 372193303 /nfs/dbraw/zinc/19/33/03/372193303.db2.gz YPOXKJXJKIWPRT-CYBMUJFWSA-N 0 0 245.282 2.366 50 5 BEBARN Cc1ccc([N+](=O)[O-])c(Br)n1 ZINC000008698263 372849484 /nfs/dbraw/zinc/84/94/84/372849484.db2.gz IHHLJCDGOSZFTB-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 BEBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000002753441 182038909 /nfs/dbraw/zinc/03/89/09/182038909.db2.gz FDMKTLRBJSCSDE-UHFFFAOYSA-N 0 0 248.282 2.150 50 5 BEBARN O=[N+]([O-])c1cc2n[nH]cc2c(Br)c1 ZINC000014983023 205461104 /nfs/dbraw/zinc/46/11/04/205461104.db2.gz MFKKWYOQLIACFO-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN O=C(Nc1ccc(O)cc1)c1ccc([N+](=O)[O-])o1 ZINC000000198669 182361132 /nfs/dbraw/zinc/36/11/32/182361132.db2.gz QHNNCKACSNTGSI-UHFFFAOYSA-N 0 0 248.194 2.146 50 5 BEBARN O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000005060298 182363091 /nfs/dbraw/zinc/36/30/91/182363091.db2.gz VUSDWGHGQISTQC-UHFFFAOYSA-N 0 0 235.243 2.223 50 5 BEBARN O=C(Nc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000000243339 182387838 /nfs/dbraw/zinc/38/78/38/182387838.db2.gz OVXOOHFWTAEGEE-UHFFFAOYSA-N 0 0 243.222 2.242 50 5 BEBARN O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000004578540 182399432 /nfs/dbraw/zinc/39/94/32/182399432.db2.gz TYUHMMUUMWZPDB-UHFFFAOYSA-N 0 0 249.251 2.304 50 5 BEBARN O=Cc1cc([N+](=O)[O-])c(F)cc1Cl ZINC000034090395 182863317 /nfs/dbraw/zinc/86/33/17/182863317.db2.gz HNOIAPRHNXBCAE-UHFFFAOYSA-N 0 0 203.556 2.200 50 5 BEBARN O=[N+]([O-])c1ccc(N2CCCCCC2)nc1 ZINC000019640715 182933852 /nfs/dbraw/zinc/93/38/52/182933852.db2.gz CWRQTUKXBRCCOS-UHFFFAOYSA-N 0 0 221.260 2.370 50 5 BEBARN O=[N+]([O-])c1ccnc2[nH]cc(Br)c21 ZINC000016678075 182954315 /nfs/dbraw/zinc/95/43/15/182954315.db2.gz BEJIGFSDNHXGAA-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN O=[N+]([O-])c1ccc(OCCC(F)(F)F)nc1 ZINC000114496694 182939254 /nfs/dbraw/zinc/93/92/54/182939254.db2.gz PQWPDSOCLPMSPA-UHFFFAOYSA-N 0 0 236.149 2.321 50 5 BEBARN CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004776649 169240411 /nfs/dbraw/zinc/24/04/11/169240411.db2.gz VGTBJCXVMSBEEQ-UHFFFAOYSA-N 0 0 223.232 2.126 50 5 BEBARN CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000004662527 169251816 /nfs/dbraw/zinc/25/18/16/169251816.db2.gz RUTZAPJQKZLQDJ-UHFFFAOYSA-N 0 0 242.662 2.388 50 5 BEBARN O=[N+]([O-])c1c(F)c(F)c(F)c(F)c1[N+](=O)[O-] ZINC000004644818 383881497 /nfs/dbraw/zinc/88/14/97/383881497.db2.gz UADCAFDKRQVDJM-UHFFFAOYSA-N 0 0 240.068 2.059 50 5 BEBARN CC(=O)Nc1cc2c(cc1[N+](=O)[O-])CCCC2 ZINC000068675207 384008889 /nfs/dbraw/zinc/00/88/89/384008889.db2.gz PJWZONALQGOJNS-UHFFFAOYSA-N 0 0 234.255 2.432 50 5 BEBARN COC(=O)Cc1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000097756836 384277130 /nfs/dbraw/zinc/27/71/30/384277130.db2.gz STBZYPMLJSQNNS-UHFFFAOYSA-N 0 0 243.646 2.272 50 5 BEBARN O=[N+]([O-])c1c[nH]c2cc(Br)cnc21 ZINC000044712912 384353449 /nfs/dbraw/zinc/35/34/49/384353449.db2.gz KMWWJYXJPXJLEH-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN CCOc1cc([N+](=O)[O-])c(F)cc1F ZINC000261494133 384333156 /nfs/dbraw/zinc/33/31/56/384333156.db2.gz QQXCKGKLCOGNOK-UHFFFAOYSA-N 0 0 203.144 2.272 50 5 BEBARN O=Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000261494419 384333409 /nfs/dbraw/zinc/33/34/09/384333409.db2.gz XCNMHSCBFOALFJ-UHFFFAOYSA-N 0 0 235.117 2.306 50 5 BEBARN Cc1[nH]nc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000005012641 384380191 /nfs/dbraw/zinc/38/01/91/384380191.db2.gz IPEIATPXMUVJLJ-UHFFFAOYSA-N 0 0 232.243 2.238 50 5 BEBARN CC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000004577307 384432449 /nfs/dbraw/zinc/43/24/49/384432449.db2.gz DNUIVCQNUPJXIA-UHFFFAOYSA-N 0 0 208.217 2.170 50 5 BEBARN Cc1noc(/C=C/c2ccc[nH]2)c1[N+](=O)[O-] ZINC000005324723 385025434 /nfs/dbraw/zinc/02/54/34/385025434.db2.gz JBLGCZUINOGJHB-SNAWJCMRSA-N 0 0 219.200 2.390 50 5 BEBARN O=[N+]([O-])c1cccn2c(Br)cnc12 ZINC000072319834 385193856 /nfs/dbraw/zinc/19/38/56/385193856.db2.gz IXGSGWPFHHPIQZ-UHFFFAOYSA-N 0 0 242.032 2.005 50 5 BEBARN COc1ccc([N+](=O)[O-])c(NC2CC2)c1 ZINC000085481047 385199822 /nfs/dbraw/zinc/19/98/22/385199822.db2.gz DLLXIKJLPCYMOP-UHFFFAOYSA-N 0 0 208.217 2.178 50 5 BEBARN CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000005549864 385160545 /nfs/dbraw/zinc/16/05/45/385160545.db2.gz FKTDYZCHWXTGMA-UHFFFAOYSA-N 0 0 203.201 2.185 50 5 in-vitro BEBARN CC(=O)n1ccc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000000125291 385235428 /nfs/dbraw/zinc/23/54/28/385235428.db2.gz BFGQWXHOXWONRR-UHFFFAOYSA-N 0 0 231.211 2.118 50 5 BEBARN COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)on1 ZINC000000520231 385431973 /nfs/dbraw/zinc/43/19/73/385431973.db2.gz PORQPQFJPVHBLR-UHFFFAOYSA-N 0 0 248.194 2.036 50 5 BEBARN Cc1cc(C)n(Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000000614330 385664619 /nfs/dbraw/zinc/66/46/19/385664619.db2.gz IVWIDZGHZOZJCE-UHFFFAOYSA-N 0 0 231.255 2.456 50 5 BEBARN Cc1nc(Cl)c([N+](=O)[O-])c(Cl)n1 ZINC000005783320 385706822 /nfs/dbraw/zinc/70/68/22/385706822.db2.gz OPXGPTXSLFZVCA-UHFFFAOYSA-N 0 0 208.004 2.000 50 5 BEBARN CC(=O)C[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000001513733 386698576 /nfs/dbraw/zinc/69/85/76/386698576.db2.gz HDACXQXSTHNYRG-NSHDSACASA-N 0 0 207.229 2.026 50 5 BEBARN CC(C)(Cc1ccc([N+](=O)[O-])cc1)[N+](=O)[O-] ZINC000001571189 386936728 /nfs/dbraw/zinc/93/67/28/386936728.db2.gz RYQDSPKQTUQTND-UHFFFAOYSA-N 0 0 224.216 2.193 50 5 BEBARN O=[N+]([O-])c1ccc2nc(C(F)(F)F)cn2c1 ZINC000089201677 387328715 /nfs/dbraw/zinc/32/87/15/387328715.db2.gz CEDZYRGNBJSMSY-UHFFFAOYSA-N 0 0 231.133 2.261 50 5 BEBARN C[C@@H]1OC(c2cccc([N+](=O)[O-])c2)O[C@H]1C ZINC000001679847 387333849 /nfs/dbraw/zinc/33/38/49/387333849.db2.gz SJZKKJDKHOYPBP-YUMQZZPRSA-N 0 0 223.228 2.417 50 5 BEBARN O=Cc1ccc(OCC2CC2)c([N+](=O)[O-])c1 ZINC000026514777 387473590 /nfs/dbraw/zinc/47/35/90/387473590.db2.gz OGJRCCGGHSWZSS-UHFFFAOYSA-N 0 0 221.212 2.196 50 5 BEBARN O=[N+]([O-])c1cc(F)ccc1N1CC(F)(F)C1 ZINC000169725308 387974883 /nfs/dbraw/zinc/97/48/83/387974883.db2.gz NTMCNNABLSATGO-UHFFFAOYSA-N 0 0 232.161 2.189 50 5 BEBARN CCCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000002742382 388349317 /nfs/dbraw/zinc/34/93/17/388349317.db2.gz YRNIXNMRAQAEON-UHFFFAOYSA-N 0 0 222.244 2.125 50 5 BEBARN O=Cc1cccn1Cc1ccc([N+](=O)[O-])cc1 ZINC000003029549 388360286 /nfs/dbraw/zinc/36/02/86/388360286.db2.gz WRYZZFHVGAKORA-UHFFFAOYSA-N 0 0 230.223 2.257 50 5 BEBARN O=[N+]([O-])c1cn(Cc2ccc3c(c2)CCC3)cn1 ZINC000172129337 388408313 /nfs/dbraw/zinc/40/83/13/388408313.db2.gz DABYNFHGWOVCSL-UHFFFAOYSA-N 0 0 243.266 2.328 50 5 BEBARN O=Cc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000039219118 388408549 /nfs/dbraw/zinc/40/85/49/388408549.db2.gz CREGKXZIHOMXBJ-UHFFFAOYSA-N 0 0 219.118 2.426 50 5 BEBARN Nc1nc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000096032069 388683822 /nfs/dbraw/zinc/68/38/22/388683822.db2.gz GVUDDAXTJZAQQM-UHFFFAOYSA-N 0 0 241.556 2.244 50 5 BEBARN O=[N+]([O-])c1ccc(F)cc1OC1CCOCC1 ZINC000068675320 388714788 /nfs/dbraw/zinc/71/47/88/388714788.db2.gz UBOPIEBCGHAULF-UHFFFAOYSA-N 0 0 241.218 2.292 50 5 BEBARN CC1(C)CC(=O)c2cc([N+](=O)[O-])ccc2O1 ZINC000012649674 388721621 /nfs/dbraw/zinc/72/16/21/388721621.db2.gz SKWGQIKSBYQUAP-UHFFFAOYSA-N 0 0 221.212 2.339 50 5 BEBARN O=Cc1ccc([N+](=O)[O-])cc1N1CCCC1 ZINC000095081362 388758424 /nfs/dbraw/zinc/75/84/24/388758424.db2.gz BAFXYDGKSUGBJC-UHFFFAOYSA-N 0 0 220.228 2.008 50 5 BEBARN O=[N+]([O-])c1ccccc1-c1ncccn1 ZINC000096345706 388816135 /nfs/dbraw/zinc/81/61/35/388816135.db2.gz RZRKCDVVGMTALK-UHFFFAOYSA-N 0 0 201.185 2.052 50 5 BEBARN Cc1ccn(CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000097238191 388835990 /nfs/dbraw/zinc/83/59/90/388835990.db2.gz PXXVYEZRIDQOKC-UHFFFAOYSA-N 0 0 247.254 2.179 50 5 BEBARN CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000225577668 388838065 /nfs/dbraw/zinc/83/80/65/388838065.db2.gz HBYUOCXBEHOHIW-UHFFFAOYSA-N 0 0 218.159 2.238 50 5 BEBARN O=[N+]([O-])c1cc(F)ccc1N1CCSCC1 ZINC000059391814 132238581 /nfs/dbraw/zinc/23/85/81/132238581.db2.gz AMLCXLJXJRGNEX-UHFFFAOYSA-N 0 0 242.275 2.287 50 5 BEBARN O=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000003883972 132315897 /nfs/dbraw/zinc/31/58/97/132315897.db2.gz BNNMEAFYZHALEC-UHFFFAOYSA-N 0 0 234.255 2.398 50 5 BEBARN O=[N+]([O-])c1ccc(N2CCOCC2)c(Cl)c1 ZINC000004045575 132316095 /nfs/dbraw/zinc/31/60/95/132316095.db2.gz ZPKGWYXJULKUEH-UHFFFAOYSA-N 0 0 242.662 2.085 50 5 BEBARN C[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000004361863 132316604 /nfs/dbraw/zinc/31/66/04/132316604.db2.gz ZZBYVKYAISMKDR-UWVGGRQHSA-N 0 0 236.271 2.208 50 5 BEBARN O=[N+]([O-])c1ccc2nonc2c1N1CCCCC1 ZINC000004949289 132317099 /nfs/dbraw/zinc/31/70/99/132317099.db2.gz FLGKPNKTGVHXPL-UHFFFAOYSA-N 0 0 248.242 2.121 50 5 BEBARN CC(C)OC(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000044124754 167166116 /nfs/dbraw/zinc/16/61/16/167166116.db2.gz MANHRRINHMIEMT-UHFFFAOYSA-N 0 0 231.233 2.008 50 5 BEBARN CCCCC(=O)Nc1ncc([N+](=O)[O-])s1 ZINC000003819043 411185112 /nfs/dbraw/zinc/18/51/12/411185112.db2.gz HAQCGFVINUGJBS-UHFFFAOYSA-N 0 0 229.261 2.180 50 5 BEBARN Nc1ncnc(Sc2ccccc2)c1[N+](=O)[O-] ZINC000004059103 411189003 /nfs/dbraw/zinc/18/90/03/411189003.db2.gz PDLJHTDPXHISGM-UHFFFAOYSA-N 0 0 248.267 2.118 50 5 BEBARN CCC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cn1 ZINC000016971980 168268530 /nfs/dbraw/zinc/26/85/30/168268530.db2.gz ZBZAHIHDHNEOTG-UHFFFAOYSA-N 0 0 237.259 2.365 50 5 BEBARN CCOC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000001673156 170183235 /nfs/dbraw/zinc/18/32/35/170183235.db2.gz QZEPRSLOWNHADS-VOTSOKGWSA-N 0 0 221.212 2.171 50 5 biogenic,in-vitro BEBARN CCOC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000039042708 170188548 /nfs/dbraw/zinc/18/85/48/170188548.db2.gz UXKDKOBQYMDAIP-UHFFFAOYSA-N 0 0 245.181 2.250 50 5 BEBARN CCOC(=O)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000003132356 170235170 /nfs/dbraw/zinc/23/51/70/170235170.db2.gz NFTIGSHTDJWTAT-UHFFFAOYSA-N 0 0 243.646 2.354 50 5 BEBARN CCOC(=O)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000224681546 170264918 /nfs/dbraw/zinc/26/49/18/170264918.db2.gz MMMUPDYQDIVXAM-SECBINFHSA-N 0 0 237.255 2.337 50 5 BEBARN CCOC(=O)c1cc(F)cc([N+](=O)[O-])c1C ZINC000062665894 170292465 /nfs/dbraw/zinc/29/24/65/170292465.db2.gz XXIIRYGATOUXBZ-UHFFFAOYSA-N 0 0 227.191 2.219 50 5 BEBARN Cc1c(Br)ccc(N)c1[N+](=O)[O-] ZINC000082046712 411569923 /nfs/dbraw/zinc/56/99/23/411569923.db2.gz BFFARMFHNYJRGS-UHFFFAOYSA-N 0 0 231.049 2.248 50 5 BEBARN CCOc1nc(Cl)ccc1[N+](=O)[O-] ZINC000036925802 170603156 /nfs/dbraw/zinc/60/31/56/170603156.db2.gz XJUSTFBLMBHYOD-UHFFFAOYSA-N 0 0 202.597 2.042 50 5 BEBARN CC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000103325 171337031 /nfs/dbraw/zinc/33/70/31/171337031.db2.gz XKXSZQPEOSWWTH-QMMMGPOBSA-N 0 0 222.244 2.123 50 5 BEBARN CCc1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000036397247 172085193 /nfs/dbraw/zinc/08/51/93/172085193.db2.gz MHBQVGXQMPALFE-UHFFFAOYSA-N 0 0 249.226 2.119 50 5 BEBARN COCCOc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000261493842 174368785 /nfs/dbraw/zinc/36/87/85/174368785.db2.gz KKSLMJPZLPCRKV-UHFFFAOYSA-N 0 0 231.635 2.273 50 5 BEBARN COCCSCc1ccc([N+](=O)[O-])cc1 ZINC000078555696 174376807 /nfs/dbraw/zinc/37/68/07/174376807.db2.gz RTNIRTAPYZATJF-UHFFFAOYSA-N 0 0 227.285 2.474 50 5 BEBARN COCCSCc1ccccc1[N+](=O)[O-] ZINC000075584390 174376825 /nfs/dbraw/zinc/37/68/25/174376825.db2.gz ZCULMDYQVNPZKE-UHFFFAOYSA-N 0 0 227.285 2.474 50 5 BEBARN COc1c(F)cc([N+](=O)[O-])cc1Cl ZINC000261493493 174930848 /nfs/dbraw/zinc/93/08/48/174930848.db2.gz CDNRZTRKKPEQMZ-UHFFFAOYSA-N 0 0 205.572 2.396 50 5 BEBARN COc1cc2c(cc1[N+](=O)[O-])C(=O)CCC2 ZINC000039386056 175026473 /nfs/dbraw/zinc/02/64/73/175026473.db2.gz KTIKLRGFDKNYST-UHFFFAOYSA-N 0 0 221.212 2.122 50 5 BEBARN COc1ccc(Cn2cc(C)cn2)cc1[N+](=O)[O-] ZINC000096428962 175123609 /nfs/dbraw/zinc/12/36/09/175123609.db2.gz OVDCXTRDJQUJHP-UHFFFAOYSA-N 0 0 247.254 2.157 50 5 BEBARN COc1ccc(NC(=O)C(C)C)c([N+](=O)[O-])c1 ZINC000004576909 175140766 /nfs/dbraw/zinc/14/07/66/175140766.db2.gz JGXJWAMXSXBXPN-UHFFFAOYSA-N 0 0 238.243 2.198 50 5 BEBARN COc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000059137282 175201058 /nfs/dbraw/zinc/20/10/58/175201058.db2.gz JIHPCRDGMVWPKO-UHFFFAOYSA-N 0 0 219.143 2.205 50 5 BEBARN COc1ccc([N+](=O)[O-])cc1OCC(F)F ZINC000159626318 175201255 /nfs/dbraw/zinc/20/12/55/175201255.db2.gz MBRMEFBUONQHRO-UHFFFAOYSA-N 0 0 233.170 2.247 50 5 BEBARN COc1ccc2[nH]cc(/C=C/[N+](=O)[O-])c2c1 ZINC000001569525 175202302 /nfs/dbraw/zinc/20/23/02/175202302.db2.gz NAIAZIKEFZGLDL-SNAWJCMRSA-N 0 0 218.212 2.424 50 5 BEBARN COc1cccc2c1nc1ccccc1[n+]2[O-] ZINC000004426042 175306485 /nfs/dbraw/zinc/30/64/85/175306485.db2.gz BUGFXFMSRVRPNJ-UHFFFAOYSA-N 0 0 226.235 2.030 50 5 BEBARN C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000002741767 176095740 /nfs/dbraw/zinc/09/57/40/176095740.db2.gz FODWPAJNDQBOLX-SNVBAGLBSA-N 0 0 248.282 2.467 50 5 BEBARN Cc1cc(Sc2ncco2)ncc1[N+](=O)[O-] ZINC000390835403 525444172 /nfs/dbraw/zinc/44/41/72/525444172.db2.gz MSNZKWIMEMVHMU-UHFFFAOYSA-N 0 0 237.240 2.437 50 5 BEBARN O=[N+]([O-])c1ccc(-c2ncccc2O)cc1 ZINC000000251351 631898148 /nfs/dbraw/zinc/89/81/48/631898148.db2.gz FBYUBSYQHRCWAY-UHFFFAOYSA-N 0 0 216.196 2.362 50 5 BEBARN NC(=O)c1cccc2c(=O)oc3ccccc3c12 ZINC000000577532 642795660 /nfs/dbraw/zinc/79/56/60/642795660.db2.gz WSVCWCFPGVDIGZ-UHFFFAOYSA-N 0 0 239.230 2.045 50 5 BEBARN Cc1nn([C@@H](C)c2ccccn2)c(C)c1[N+](=O)[O-] ZINC000952880594 974058339 /nfs/dbraw/zinc/05/83/39/974058339.db2.gz WGNOLAHYDUFEFS-VIFPVBQESA-N 0 0 246.270 2.412 50 5 BEBARN Nc1cc([N+](=O)[O-])c(F)cc1Br ZINC000074934294 398210263 /nfs/dbraw/zinc/21/02/63/398210263.db2.gz FBVOIJABNHHFIF-UHFFFAOYSA-N 0 0 235.012 2.079 50 5 BEBARN CCN(CC)C(=O)c1ccc(F)c([N+](=O)[O-])c1 ZINC000037248019 361777160 /nfs/dbraw/zinc/77/71/60/361777160.db2.gz MRVFZPHNDANYPK-UHFFFAOYSA-N 0 0 240.234 2.216 50 5 BEBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C(C)C ZINC000004832152 178271441 /nfs/dbraw/zinc/27/14/41/178271441.db2.gz AREZTZZKYGCDPY-UHFFFAOYSA-N 0 0 222.244 2.498 50 5 BEBARN Cc1ccc(C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000000123355 178385522 /nfs/dbraw/zinc/38/55/22/178385522.db2.gz FFWFXTHRGQCEQD-UHFFFAOYSA-N 0 0 234.255 2.139 50 5 BEBARN CCOc1cc(N)c([N+](=O)[O-])cc1Cl ZINC000004137017 342743142 /nfs/dbraw/zinc/74/31/42/342743142.db2.gz ZQNMJROKKGEWDS-UHFFFAOYSA-N 0 0 216.624 2.229 50 5 BEBARN Cc1ccc(CNc2cnccn2)cc1[N+](=O)[O-] ZINC000170612170 361870655 /nfs/dbraw/zinc/87/06/55/361870655.db2.gz QAYMTTIHSYLVKV-UHFFFAOYSA-N 0 0 244.254 2.305 50 5 BEBARN O=[N+]([O-])c1ccc(Cl)cc1[N+](=O)[O-] ZINC000003861250 342738403 /nfs/dbraw/zinc/73/84/03/342738403.db2.gz QVQSOXMXXFZAKU-UHFFFAOYSA-N 0 0 202.553 2.156 50 5 BEBARN CCOc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000015423229 342896130 /nfs/dbraw/zinc/89/61/30/342896130.db2.gz KUKYBOAHWULYHD-UHFFFAOYSA-N 0 0 209.201 2.196 50 5 BEBARN Nc1cc2c(cc1[N+](=O)[O-])-c1ccccc1C2=O ZINC000004558771 342889297 /nfs/dbraw/zinc/88/92/97/342889297.db2.gz XIEBABCZBKPITH-UHFFFAOYSA-N 0 0 240.218 2.388 50 5 BEBARN O=[N+]([O-])c1cc(Br)c2nccn2c1 ZINC000015021377 342890873 /nfs/dbraw/zinc/89/08/73/342890873.db2.gz RCACLYOLSQUCDP-UHFFFAOYSA-N 0 0 242.032 2.005 50 5 BEBARN COc1cc([N+](=O)[O-])ccc1N=S(C)C ZINC000016134160 342907053 /nfs/dbraw/zinc/90/70/53/342907053.db2.gz RFYMYYANCHHWKT-UHFFFAOYSA-N 0 0 228.273 2.296 50 5 BEBARN COC1CN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000349254782 136333100 /nfs/dbraw/zinc/33/31/00/136333100.db2.gz ULELWFBVPXKKRO-UHFFFAOYSA-N 0 0 242.662 2.083 50 5 BEBARN O=[N+]([O-])c1ccc(F)c(OC(F)F)c1 ZINC000047203265 343558529 /nfs/dbraw/zinc/55/85/29/343558529.db2.gz UKSAGCUNNXEOBJ-UHFFFAOYSA-N 0 0 207.107 2.335 50 5 BEBARN O=[N+]([O-])c1ccc(OC(F)F)cc1F ZINC000047203269 343558890 /nfs/dbraw/zinc/55/88/90/343558890.db2.gz IJQVALKYFMLISU-UHFFFAOYSA-N 0 0 207.107 2.335 50 5 BEBARN Cc1nccn1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000000051906 344099950 /nfs/dbraw/zinc/09/99/50/344099950.db2.gz PHNQLUKWMVPDJU-UHFFFAOYSA-N 0 0 245.238 2.097 50 5 BEBARN O=[N+]([O-])c1ccc(-c2cn3cccnc3n2)cc1 ZINC000000090811 344329243 /nfs/dbraw/zinc/32/92/43/344329243.db2.gz VUTPRDYSRJDBRS-UHFFFAOYSA-N 0 0 240.222 2.305 50 5 BEBARN CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000106417 344405001 /nfs/dbraw/zinc/40/50/01/344405001.db2.gz CFHLEDOETLTMLW-UHFFFAOYSA-N 0 0 237.240 2.367 50 5 BEBARN COC(=O)c1cccn1-c1ccccc1[N+](=O)[O-] ZINC000000110584 344544847 /nfs/dbraw/zinc/54/48/47/344544847.db2.gz BNXLPDWXYLLMFI-UHFFFAOYSA-N 0 0 246.222 2.172 50 5 BEBARN O=[N+]([O-])c1cc2c(cc1Cl)OCCO2 ZINC000004844067 344631481 /nfs/dbraw/zinc/63/14/81/344631481.db2.gz CHSUFMWHKPBFBY-UHFFFAOYSA-N 0 0 215.592 2.019 50 5 BEBARN CC(C)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000000379963 344733681 /nfs/dbraw/zinc/73/36/81/344733681.db2.gz SLIFMMDBQDQWRS-VMPITWQZSA-N 0 0 248.282 2.380 50 5 BEBARN COC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000004902229 344804098 /nfs/dbraw/zinc/80/40/98/344804098.db2.gz ZVDQXXVABSAEGK-UHFFFAOYSA-N 0 0 210.189 2.082 50 5 BEBARN Cc1ccc(NC(=O)C2CC2)c([N+](=O)[O-])c1 ZINC000004903407 344804154 /nfs/dbraw/zinc/80/41/54/344804154.db2.gz BDKMAUNYQNSIQU-UHFFFAOYSA-N 0 0 220.228 2.252 50 5 BEBARN Nc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000002243182 346217825 /nfs/dbraw/zinc/21/78/25/346217825.db2.gz LGHXDTHJGNCRKT-UHFFFAOYSA-N 0 0 206.123 2.196 50 5 BEBARN O=[N+]([O-])c1ccc(C(=S)N2CCCC2)cc1 ZINC000000355205 346414484 /nfs/dbraw/zinc/41/44/84/346414484.db2.gz QHYKYRYXFGOVOV-UHFFFAOYSA-N 0 0 236.296 2.366 50 5 BEBARN Cc1c(Br)cncc1[N+](=O)[O-] ZINC000039239872 346425361 /nfs/dbraw/zinc/42/53/61/346425361.db2.gz WFCIQRPATFRBOY-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 BEBARN CSc1ccc([N+](=O)[O-])cc1NC(C)=O ZINC000002171942 346497390 /nfs/dbraw/zinc/49/73/90/346497390.db2.gz WIHOTALZIKUKRM-UHFFFAOYSA-N 0 0 226.257 2.275 50 5 BEBARN Cc1cc([N+](=O)[O-])nn1Cc1cccc(C)c1 ZINC000001059194 179109237 /nfs/dbraw/zinc/10/92/37/179109237.db2.gz YZOZJZKQCLGWLK-UHFFFAOYSA-N 0 0 231.255 2.456 50 5 BEBARN O=[N+]([O-])c1cc(-c2ncccn2)cs1 ZINC000000480685 346600548 /nfs/dbraw/zinc/60/05/48/346600548.db2.gz WIRRIKQUUWLQST-UHFFFAOYSA-N 0 0 207.214 2.113 50 5 BEBARN O=[N+]([O-])c1ccc([C@H](O)C(F)(F)F)cc1 ZINC000034618050 347251351 /nfs/dbraw/zinc/25/13/51/347251351.db2.gz UQFMTXANBPARMP-ZETCQYMHSA-N 0 0 221.134 2.191 50 5 BEBARN Cc1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000000504470 179399503 /nfs/dbraw/zinc/39/95/03/179399503.db2.gz KCGSLTPLJHRURK-UHFFFAOYSA-N 0 0 203.201 2.089 50 5 BEBARN O=[N+]([O-])c1ccn(Cc2ccccc2Cl)n1 ZINC000000614320 348659572 /nfs/dbraw/zinc/65/95/72/348659572.db2.gz MTLHJADQYGMFGC-UHFFFAOYSA-N 0 0 237.646 2.493 50 5 BEBARN Cn1c(C=O)ccc1-c1cccc([N+](=O)[O-])c1 ZINC000000612659 348666575 /nfs/dbraw/zinc/66/65/75/348666575.db2.gz IZVXUVKGJAZCHT-UHFFFAOYSA-N 0 0 230.223 2.413 50 5 BEBARN Cc1nc2nc(C(C)C)[nH]c2cc1[N+](=O)[O-] ZINC000206583311 180114200 /nfs/dbraw/zinc/11/42/00/180114200.db2.gz GGIFKVNPWDZDDK-UHFFFAOYSA-N 0 0 220.232 2.298 50 5 BEBARN Cc1ncc([N+](=O)[O-])n1Cc1ccccc1F ZINC000000205401 180175874 /nfs/dbraw/zinc/17/58/74/180175874.db2.gz SSTNQMGQXDUGIA-UHFFFAOYSA-N 0 0 235.218 2.287 50 5 BEBARN CC1(C)CCC(C)(C)[C@@H](C[N+](=O)[O-])O1 ZINC000000493015 187755766 /nfs/dbraw/zinc/75/57/66/187755766.db2.gz KJOWDMUEJFUGQB-MRVPVSSYSA-N 0 0 201.266 2.247 50 5 BEBARN CC(C)(C)[C@H](O)CNc1ccc([N+](=O)[O-])cc1 ZINC000071900428 187769603 /nfs/dbraw/zinc/76/96/03/187769603.db2.gz XEWRCSYFEJUJTH-LLVKDONJSA-N 0 0 238.287 2.414 50 5 BEBARN Cc1sc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000004088427 352669029 /nfs/dbraw/zinc/66/90/29/352669029.db2.gz GTIVWUMMFWRGAJ-UHFFFAOYSA-N 0 0 202.191 2.181 50 5 BEBARN CC(=O)n1ccc2ccc([N+](=O)[O-])cc21 ZINC000199736256 187829104 /nfs/dbraw/zinc/82/91/04/187829104.db2.gz KGDIMUBURADHIJ-UHFFFAOYSA-N 0 0 204.185 2.210 50 5 BEBARN CC1(C)COC(c2ccc(F)c([N+](=O)[O-])c2)=N1 ZINC000000259423 188099606 /nfs/dbraw/zinc/09/96/06/188099606.db2.gz YTCYEKCFTMOMEJ-UHFFFAOYSA-N 0 0 238.218 2.289 50 5 BEBARN CCS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001438333 353750067 /nfs/dbraw/zinc/75/00/67/353750067.db2.gz VETAODCIKKRRTR-UHFFFAOYSA-N 0 0 249.675 2.042 50 5 BEBARN O=[N+]([O-])c1cc(Br)cs1 ZINC000015782966 355858215 /nfs/dbraw/zinc/85/82/15/355858215.db2.gz IIUDHAXXFFPBFD-UHFFFAOYSA-N 0 0 208.036 2.419 50 5 BEBARN O=[N+]([O-])c1ccc(I)cc1 ZINC000001511626 355930008 /nfs/dbraw/zinc/93/00/08/355930008.db2.gz SCCCFNJTCDSLCY-UHFFFAOYSA-N 0 0 249.007 2.199 50 5 BEBARN O=[N+]([O-])c1ccc(-c2ncccn2)s1 ZINC000075250166 356913407 /nfs/dbraw/zinc/91/34/07/356913407.db2.gz ZHMVIDNFNJNZLB-UHFFFAOYSA-N 0 0 207.214 2.113 50 5 BEBARN CCOc1cc(/C=C\[N+](=O)[O-])ccc1O ZINC000006234025 357202323 /nfs/dbraw/zinc/20/23/23/357202323.db2.gz GAJIQLKTZKVZAJ-WAYWQWQTSA-N 0 0 209.201 2.038 50 5 BEBARN COP(=O)(OC)Oc1ccc([N+](=O)[O-])cc1 ZINC000002040124 360413404 /nfs/dbraw/zinc/41/34/04/360413404.db2.gz BAFQDKPJKOLXFZ-UHFFFAOYSA-N 0 0 247.143 2.375 50 5 BEBARN COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000034455782 368374643 /nfs/dbraw/zinc/37/46/43/368374643.db2.gz HSQIFLIPJUZWEO-UHFFFAOYSA-N 0 0 223.228 2.045 50 5 BEBARN Nc1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000059470396 181668837 /nfs/dbraw/zinc/66/88/37/181668837.db2.gz FYMVQJCDXFAPGG-UHFFFAOYSA-N 0 0 207.016 2.484 50 5 BEBARN O=[N+]([O-])c1cc(O)ccc1Br ZINC000021303819 371391423 /nfs/dbraw/zinc/39/14/23/371391423.db2.gz MTNZLOXGKDQNKA-UHFFFAOYSA-N 0 0 218.006 2.063 50 5 BEBARN Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000003861499 181703868 /nfs/dbraw/zinc/70/38/68/181703868.db2.gz NGOOFAMQPUEDJM-UHFFFAOYSA-N 0 0 242.234 2.408 50 5 BEBARN O=C(c1ccccc1[N+](=O)[O-])N1CCCCC1 ZINC000002485715 371556264 /nfs/dbraw/zinc/55/62/64/371556264.db2.gz QFRDNSHELUDVAL-UHFFFAOYSA-N 0 0 234.255 2.221 50 5 BEBARN O=[N+]([O-])c1ccc(N2CCCCCC2)cn1 ZINC000031773333 372105668 /nfs/dbraw/zinc/10/56/68/372105668.db2.gz LAAJAAWUVDGRAG-UHFFFAOYSA-N 0 0 221.260 2.370 50 5 BEBARN Nc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000004127895 372146935 /nfs/dbraw/zinc/14/69/35/372146935.db2.gz RMIMEMMJKYVPAI-UHFFFAOYSA-N 0 0 207.016 2.484 50 5 BEBARN CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000038536953 372695267 /nfs/dbraw/zinc/69/52/67/372695267.db2.gz RLXJOMUXHZMTCH-UHFFFAOYSA-N 0 0 219.200 2.207 50 5 BEBARN O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000000476014 182100069 /nfs/dbraw/zinc/10/00/69/182100069.db2.gz ZMZVYACIWILHEA-UHFFFAOYSA-N 0 0 240.646 2.140 50 5 BEBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000005936709 182363032 /nfs/dbraw/zinc/36/30/32/182363032.db2.gz FFLGMMGFNUWNHK-UHFFFAOYSA-N 0 0 243.222 2.242 50 5 BEBARN O=C(Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000000038970 182382568 /nfs/dbraw/zinc/38/25/68/182382568.db2.gz YSNFSBABFQPALZ-UHFFFAOYSA-N 0 0 243.222 2.242 50 5 BEBARN O=C(Nc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000012223463 182388061 /nfs/dbraw/zinc/38/80/61/182388061.db2.gz DIRVALIWAZNVIT-UHFFFAOYSA-N 0 0 243.222 2.242 50 5 BEBARN O=C1c2cc([N+](=O)[O-])ccc2-c2cccnc21 ZINC000000549200 182843761 /nfs/dbraw/zinc/84/37/61/182843761.db2.gz RLKCKKBMTLJCKX-UHFFFAOYSA-N 0 0 226.191 2.201 50 5 BEBARN O=[N+]([O-])c1cc(F)ccc1N1CCCC1 ZINC000004244795 182922979 /nfs/dbraw/zinc/92/29/79/182922979.db2.gz PSUGFUCCTASXGW-UHFFFAOYSA-N 0 0 210.208 2.334 50 5 BEBARN O=[N+]([O-])c1cc(Cl)cnc1Br ZINC000001719745 182923407 /nfs/dbraw/zinc/92/34/07/182923407.db2.gz VFMIDVIAQMFGGP-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 BEBARN O=[N+]([O-])c1ccc(N[C@H]2CCCSC2)cn1 ZINC000089794282 182937233 /nfs/dbraw/zinc/93/72/33/182937233.db2.gz BNJRCYQCYRXUHB-VIFPVBQESA-N 0 0 239.300 2.297 50 5 BEBARN O=c1[nH]c2ccccc2c(=O)c2ccccc21 ZINC000000406214 182974782 /nfs/dbraw/zinc/97/47/82/182974782.db2.gz USJALFVAJSYMSN-UHFFFAOYSA-N 0 0 223.231 2.042 50 5 BEBARN CCCOc1ccc(C(=O)OC)cc1[N+](=O)[O-] ZINC000073695926 169316989 /nfs/dbraw/zinc/31/69/89/169316989.db2.gz SVFRMFDPJFUNCY-UHFFFAOYSA-N 0 0 239.227 2.170 50 5 BEBARN CCCNc1cc(OC)ccc1[N+](=O)[O-] ZINC000087544375 169294223 /nfs/dbraw/zinc/29/42/23/169294223.db2.gz VGOVMCNHSWOEJM-UHFFFAOYSA-N 0 0 210.233 2.425 50 5 BEBARN CCCc1ncc([N+](=O)[O-])cc1C(=O)OCC ZINC000020284100 169595687 /nfs/dbraw/zinc/59/56/87/169595687.db2.gz RNTDYQLQCNZROW-UHFFFAOYSA-N 0 0 238.243 2.119 50 5 BEBARN O=Cc1cc(Br)sc1[N+](=O)[O-] ZINC000066055081 383844446 /nfs/dbraw/zinc/84/44/46/383844446.db2.gz FSWWDXRRJRWFTC-UHFFFAOYSA-N 0 0 236.046 2.231 50 5 BEBARN COc1nsc2cc([N+](=O)[O-])ccc21 ZINC000000085669 384128637 /nfs/dbraw/zinc/12/86/37/384128637.db2.gz RWCYNPUIIZULSV-UHFFFAOYSA-N 0 0 210.214 2.213 50 5 BEBARN COC(=O)c1cc(OC)c(Cl)cc1[N+](=O)[O-] ZINC000261507182 384357295 /nfs/dbraw/zinc/35/72/95/384357295.db2.gz GHSRHFQGTJBYBD-UHFFFAOYSA-N 0 0 245.618 2.043 50 5 BEBARN O=[N+]([O-])c1ccnc(Cl)c1Br ZINC000095911129 384407123 /nfs/dbraw/zinc/40/71/23/384407123.db2.gz DVOYAFSLONCZPD-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 BEBARN O=c1oc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC000000058071 384446308 /nfs/dbraw/zinc/44/63/08/384446308.db2.gz OFLRQEKOAGDHKT-UHFFFAOYSA-N 0 0 225.587 2.355 50 5 BEBARN CCOc1cc(F)c(F)cc1[N+](=O)[O-] ZINC000263624716 385007808 /nfs/dbraw/zinc/00/78/08/385007808.db2.gz SWNUTOBSUMTMME-UHFFFAOYSA-N 0 0 203.144 2.272 50 5 BEBARN O=[N+]([O-])c1ncc(Cl)cc1Br ZINC000263624865 385008872 /nfs/dbraw/zinc/00/88/72/385008872.db2.gz UUPDXJAPCHTALC-UHFFFAOYSA-N 0 0 237.440 2.406 50 5 BEBARN CCOc1cc(F)cc(F)c1[N+](=O)[O-] ZINC000263623965 385009279 /nfs/dbraw/zinc/00/92/79/385009279.db2.gz MFTQWQVRCBNYFR-UHFFFAOYSA-N 0 0 203.144 2.272 50 5 BEBARN CCO[C@@H]1CN=NN1c1ccc([N+](=O)[O-])cc1 ZINC000034542933 385092715 /nfs/dbraw/zinc/09/27/15/385092715.db2.gz JFUPSNOWOQKVOO-SNVBAGLBSA-N 0 0 236.231 2.145 50 5 BEBARN CO[C@@H](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000272745360 385325572 /nfs/dbraw/zinc/32/55/72/385325572.db2.gz JEAUJSZYDHPBLC-QMMMGPOBSA-N 0 0 249.270 2.288 50 5 BEBARN Cc1c(NC(=O)N2CC=CC2)cccc1[N+](=O)[O-] ZINC000585120027 386669270 /nfs/dbraw/zinc/66/92/70/386669270.db2.gz IHBJNQSJNHUIQY-UHFFFAOYSA-N 0 0 247.254 2.307 50 5 BEBARN COC(=O)/C=C\c1cc(Cl)sc1[N+](=O)[O-] ZINC000005956335 386674423 /nfs/dbraw/zinc/67/44/23/386674423.db2.gz PPCGVOWUCDRSQB-IHWYPQMZSA-N 0 0 247.659 2.496 50 5 BEBARN Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C)c1 ZINC000088147519 386845335 /nfs/dbraw/zinc/84/53/35/386845335.db2.gz LAWVZFSHNGPAGC-UHFFFAOYSA-N 0 0 236.271 2.432 50 5 BEBARN CC/C=C\CCn1ccc(=O)c([N+](=O)[O-])c1 ZINC000341590304 386928509 /nfs/dbraw/zinc/92/85/09/386928509.db2.gz UHPFIQOJFOGNPW-ARJAWSKDSA-N 0 0 222.244 2.113 50 5 BEBARN CC(=O)Oc1cc2cccnc2c([N+](=O)[O-])c1 ZINC000001685333 387367348 /nfs/dbraw/zinc/36/73/48/387367348.db2.gz IXPYWEGHDYWEFC-UHFFFAOYSA-N 0 0 232.195 2.068 50 5 BEBARN O=Cc1cc(Br)ccc1[N+](=O)[O-] ZINC000001699626 387418524 /nfs/dbraw/zinc/41/85/24/387418524.db2.gz UFRVBZVJVRHSNR-UHFFFAOYSA-N 0 0 230.017 2.170 50 5 BEBARN Cc1nc([N+](=O)[O-])cn1Cc1cccc(F)c1 ZINC000075271582 387494263 /nfs/dbraw/zinc/49/42/63/387494263.db2.gz ZHZIHMBTBLHISZ-UHFFFAOYSA-N 0 0 235.218 2.287 50 5 BEBARN COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)on1 ZINC000006145349 387512747 /nfs/dbraw/zinc/51/27/47/387512747.db2.gz DOVZTWUWELAMQM-UHFFFAOYSA-N 0 0 248.194 2.036 50 5 BEBARN CC/C=C/CCn1cc([N+](=O)[O-])c(C)cc1=O ZINC000186259115 387536186 /nfs/dbraw/zinc/53/61/86/387536186.db2.gz VNRNHWOXIFIAOJ-SNAWJCMRSA-N 0 0 236.271 2.421 50 5 BEBARN CSc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC000169810848 387871359 /nfs/dbraw/zinc/87/13/59/387871359.db2.gz DJTKXBGRFUEERN-UHFFFAOYSA-N 0 0 240.071 2.414 50 5 BEBARN O=[N+]([O-])c1ccc(C2CC2)c([N+](=O)[O-])c1 ZINC000003163782 388366851 /nfs/dbraw/zinc/36/68/51/388366851.db2.gz SBYYYABVYMWKDJ-UHFFFAOYSA-N 0 0 208.173 2.380 50 5 BEBARN CCCCNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000032233842 388394174 /nfs/dbraw/zinc/39/41/74/388394174.db2.gz XDOKUBHVEUHKMO-UHFFFAOYSA-N 0 0 240.219 2.110 50 5 BEBARN Cc1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000004272187 388397504 /nfs/dbraw/zinc/39/75/04/388397504.db2.gz VFPKZASVVCBVMG-UHFFFAOYSA-N 0 0 231.049 2.248 50 5 BEBARN COc1ccc([N+](=O)[O-])c(Br)c1 ZINC000019872895 388749936 /nfs/dbraw/zinc/74/99/36/388749936.db2.gz RYKPDLZQIABTMY-UHFFFAOYSA-N 0 0 232.033 2.366 50 5 BEBARN CC(=O)Nc1c(C)c(F)ccc1[N+](=O)[O-] ZINC000012336402 388716741 /nfs/dbraw/zinc/71/67/41/388716741.db2.gz JQUCULCZNWRUQW-UHFFFAOYSA-N 0 0 212.180 2.001 50 5 BEBARN O=[N+]([O-])c1nc[nH]c1-c1ccc(F)cc1 ZINC000012604482 388722279 /nfs/dbraw/zinc/72/22/79/388722279.db2.gz GIIYFQFCQCAPKL-UHFFFAOYSA-N 0 0 207.164 2.124 50 5 BEBARN Cc1n[nH]cc1Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000095414868 388767916 /nfs/dbraw/zinc/76/79/16/388767916.db2.gz CUFJIUHXZVLHFX-UHFFFAOYSA-N 0 0 233.231 2.073 50 5 BEBARN CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000095495686 388777182 /nfs/dbraw/zinc/77/71/82/388777182.db2.gz WDCLGGYMVLPIHI-UHFFFAOYSA-N 0 0 249.675 2.042 50 5 BEBARN CCc1ncc(Br)cc1[N+](=O)[O-] ZINC000095629906 388780716 /nfs/dbraw/zinc/78/07/16/388780716.db2.gz JDMZSVDTYPUKEX-UHFFFAOYSA-N 0 0 231.049 2.315 50 5 BEBARN O=[N+]([O-])c1cccc(-c2ncccn2)c1 ZINC000095929140 388790099 /nfs/dbraw/zinc/79/00/99/388790099.db2.gz IUKRCJBHJYYSSK-UHFFFAOYSA-N 0 0 201.185 2.052 50 5 BEBARN COC(OC)c1c(F)ccc([N+](=O)[O-])c1F ZINC000095933604 388791393 /nfs/dbraw/zinc/79/13/93/388791393.db2.gz DQGCXNOSRFPHCV-UHFFFAOYSA-N 0 0 233.170 2.164 50 5 BEBARN O=[N+]([O-])c1cc(F)cc(Br)c1 ZINC000021981692 398088585 /nfs/dbraw/zinc/08/85/85/398088585.db2.gz SWXVEPMSQBEVRH-UHFFFAOYSA-N 0 0 219.997 2.496 50 5 BEBARN CC(C)OCCCNc1ccc([N+](=O)[O-])nc1 ZINC000339950764 167225638 /nfs/dbraw/zinc/22/56/38/167225638.db2.gz PWUPSABHXKZOHN-UHFFFAOYSA-N 0 0 239.275 2.217 50 5 BEBARN CCN(CC)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000000063796 169744046 /nfs/dbraw/zinc/74/40/46/169744046.db2.gz XLQFDLSLWOWCAJ-CMDGGOBGSA-N 0 0 248.282 2.476 50 5 BEBARN CC(C)(C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000000101910 166627746 /nfs/dbraw/zinc/62/77/46/166627746.db2.gz BMADOZDALQJUFQ-UHFFFAOYSA-N 0 0 222.244 2.123 50 5 BEBARN CC(C)OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001669864 167173867 /nfs/dbraw/zinc/17/38/67/167173867.db2.gz ICDANRFRDBFMRY-UHFFFAOYSA-N 0 0 209.201 2.160 50 5 BEBARN CN(CC1CC1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000049236125 411229482 /nfs/dbraw/zinc/22/94/82/411229482.db2.gz GKEGXHZKJNADCL-UHFFFAOYSA-N 0 0 246.270 2.089 50 5 BEBARN O=Cc1ccc(-c2ncccc2[N+](=O)[O-])cc1 ZINC000003883967 411432160 /nfs/dbraw/zinc/43/21/60/411432160.db2.gz LOARMPVDLIAIOJ-UHFFFAOYSA-N 0 0 228.207 2.469 50 5 BEBARN O=[N+]([O-])c1ccc(CCn2ccnc2)cc1 ZINC000004025449 411492114 /nfs/dbraw/zinc/49/21/14/411492114.db2.gz HCPMKJOVCNZGSD-UHFFFAOYSA-N 0 0 217.228 2.034 50 5 in-vivo BEBARN CCNc1c2ccccc2oc(=O)c1[N+](=O)[O-] ZINC000013556132 170171442 /nfs/dbraw/zinc/17/14/42/170171442.db2.gz RZALPUUXZXOVSF-UHFFFAOYSA-N 0 0 234.211 2.133 50 5 BEBARN CCOC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000001751389 170244072 /nfs/dbraw/zinc/24/40/72/170244072.db2.gz LZLIDEXOJBQIJO-UHFFFAOYSA-N 0 0 240.215 2.172 50 5 BEBARN CCOC(=O)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000224681502 170246095 /nfs/dbraw/zinc/24/60/95/170246095.db2.gz MMMUPDYQDIVXAM-VIFPVBQESA-N 0 0 237.255 2.337 50 5 BEBARN CCOC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000012413698 170288531 /nfs/dbraw/zinc/28/85/31/170288531.db2.gz DSVPOQALVJHYNO-UHFFFAOYSA-N 0 0 229.619 2.425 50 5 BEBARN CCOC(=O)c1cc(F)c(F)c([N+](=O)[O-])c1 ZINC000260033441 170292003 /nfs/dbraw/zinc/29/20/03/170292003.db2.gz HEKMTLIRGNABHH-UHFFFAOYSA-N 0 0 231.154 2.050 50 5 BEBARN CCOC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N ZINC000004086512 170292996 /nfs/dbraw/zinc/29/29/96/170292996.db2.gz FUGICVGTDGWUHX-UHFFFAOYSA-N 0 0 244.634 2.007 50 5 BEBARN CCOC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000034411661 170295503 /nfs/dbraw/zinc/29/55/03/170295503.db2.gz FWOACYVHDUBZDT-UHFFFAOYSA-N 0 0 209.201 2.080 50 5 BEBARN CCOc1ccc([N+](=O)[O-])c(Br)n1 ZINC000000330974 170565910 /nfs/dbraw/zinc/56/59/10/170565910.db2.gz GEWJSKHRBYGHTR-UHFFFAOYSA-N 0 0 247.048 2.151 50 5 BEBARN CCc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000143487 172045206 /nfs/dbraw/zinc/04/52/06/172045206.db2.gz ZDSSJVWNLXJLQX-UHFFFAOYSA-N 0 0 219.200 2.207 50 5 BEBARN CCn1cc(/C=C/c2ccc([N+](=O)[O-])cn2)cn1 ZINC000084503491 172149847 /nfs/dbraw/zinc/14/98/47/172149847.db2.gz OPWLFIHIRMRBCW-ONEGZZNKSA-N 0 0 244.254 2.377 50 5 BEBARN CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000001403828 173310069 /nfs/dbraw/zinc/31/00/69/173310069.db2.gz FYVUPXRNSBHAJW-UHFFFAOYSA-N 0 0 236.252 2.169 50 5 BEBARN CNC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000012567332 173310194 /nfs/dbraw/zinc/31/01/94/173310194.db2.gz IDQSWLHFFCFTRA-UHFFFAOYSA-N 0 0 246.222 2.214 50 5 BEBARN COC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020281133 173496602 /nfs/dbraw/zinc/49/66/02/173496602.db2.gz HQVWYUZVGLAMBS-HWKANZROSA-N 0 0 241.630 2.434 50 5 BEBARN COc1cc([N+](=O)[O-])ccc1-c1cnco1 ZINC000016123575 175018101 /nfs/dbraw/zinc/01/81/01/175018101.db2.gz AOIXGUQZJVAHKJ-UHFFFAOYSA-N 0 0 220.184 2.258 50 5 BEBARN COc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-] ZINC000001789748 175029344 /nfs/dbraw/zinc/02/93/44/175029344.db2.gz WDTSLGKXQQQGGL-UHFFFAOYSA-N 0 0 235.195 2.018 50 5 BEBARN C[C@@H](CCO)CNc1cc(F)ccc1[N+](=O)[O-] ZINC000097443233 175678819 /nfs/dbraw/zinc/67/88/19/175678819.db2.gz PZOGZZQTGGHBPP-QMMMGPOBSA-N 0 0 242.250 2.164 50 5 BEBARN C[C@@H]1Oc2ccc([N+](=O)[O-])cc2O[C@H](C)O1 ZINC000000345577 177410444 /nfs/dbraw/zinc/41/04/44/177410444.db2.gz NQNONZOFJVHECQ-NKWVEPMBSA-N 0 0 225.200 2.075 50 5 BEBARN Cc1c([N+](=O)[O-])cccc1N1CCCC1=O ZINC000038342432 177615851 /nfs/dbraw/zinc/61/58/51/177615851.db2.gz PRDYBEUZEJYYAX-UHFFFAOYSA-N 0 0 220.228 2.030 50 5 BEBARN CCCN(CCC)c1ccc([N+](=O)[O-])c(N)n1 ZINC000167772803 633902946 /nfs/dbraw/zinc/90/29/46/633902946.db2.gz VCXFFEVNIMKYQD-UHFFFAOYSA-N 0 0 238.291 2.198 50 5 BEBARN Nc1ncc(Cc2ccccc2[N+](=O)[O-])s1 ZINC000001229715 642818304 /nfs/dbraw/zinc/81/83/04/642818304.db2.gz LQUKZEOTRRAPOM-UHFFFAOYSA-N 0 0 235.268 2.224 50 5 BEBARN CCc1c[nH]c(CNc2ccccc2[N+](=O)[O-])n1 ZINC000719181074 712799618 /nfs/dbraw/zinc/79/96/18/712799618.db2.gz ZLOOIIZDNZPJLH-UHFFFAOYSA-N 0 0 246.270 2.492 50 5 BEBARN O=[N+]([O-])c1cccnc1N1CCC=C(Cl)C1 ZINC000585092702 972131437 /nfs/dbraw/zinc/13/14/37/972131437.db2.gz JLGOOHAGNVOGCM-UHFFFAOYSA-N 0 0 239.662 2.323 50 5 BEBARN Nc1cc(C(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000004718352 398171492 /nfs/dbraw/zinc/17/14/92/398171492.db2.gz LZBLUHYPHHBSDO-UHFFFAOYSA-N 0 0 242.234 2.408 50 5 BEBARN Cc1cc(COc2cccc([N+](=O)[O-])c2N)on1 ZINC000069900661 178048921 /nfs/dbraw/zinc/04/89/21/178048921.db2.gz QROOTFVECBCTCN-UHFFFAOYSA-N 0 0 249.226 2.052 50 5 BEBARN Cc1cc(=O)cc2[nH]cc([N+](=O)[O-])cc1-2 ZINC000000038639 178199430 /nfs/dbraw/zinc/19/94/30/178199430.db2.gz LMEJBPOCEVFJMP-UHFFFAOYSA-N 0 0 204.185 2.157 50 5 BEBARN Cc1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1 ZINC000001686606 178269848 /nfs/dbraw/zinc/26/98/48/178269848.db2.gz JMDVARRGYWIJGZ-UHFFFAOYSA-N 0 0 216.580 2.465 50 5 BEBARN Cc1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000000341175 178275357 /nfs/dbraw/zinc/27/53/57/178275357.db2.gz KAGRJYDQTGZIGS-UHFFFAOYSA-N 0 0 217.228 2.148 50 5 BEBARN CC(C)(C)OC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000001600767 342705550 /nfs/dbraw/zinc/70/55/50/342705550.db2.gz DQXJXWHNSVKMAT-UHFFFAOYSA-N 0 0 237.255 2.479 50 5 BEBARN Nc1c(F)cc(Br)cc1[N+](=O)[O-] ZINC000004334584 342839009 /nfs/dbraw/zinc/83/90/09/342839009.db2.gz UXLRNUCHBXKRBL-UHFFFAOYSA-N 0 0 235.012 2.079 50 5 BEBARN C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000004475546 342873352 /nfs/dbraw/zinc/87/33/52/342873352.db2.gz TXCFCSJFJWGSPS-ZCFIWIBFSA-N 0 0 230.651 2.041 50 5 BEBARN O=[N+]([O-])c1cc(Cl)ccc1NCCCO ZINC000004511976 342876976 /nfs/dbraw/zinc/87/69/76/342876976.db2.gz JHJLKWHUMFLDJE-UHFFFAOYSA-N 0 0 230.651 2.043 50 5 BEBARN O=[N+]([O-])c1ccc(OCc2ccco2)nc1 ZINC000032627541 342856939 /nfs/dbraw/zinc/85/69/39/342856939.db2.gz DQTSFYSTYVVZHJ-UHFFFAOYSA-N 0 0 220.184 2.162 50 5 BEBARN Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000015440586 342896315 /nfs/dbraw/zinc/89/63/15/342896315.db2.gz LTVWXWWSCLXXAT-UHFFFAOYSA-N 0 0 206.123 2.196 50 5 BEBARN O=C1CCCCN1c1ccc([N+](=O)[O-])cc1 ZINC000085210505 398330615 /nfs/dbraw/zinc/33/06/15/398330615.db2.gz VPCQXIGQMFWXII-UHFFFAOYSA-N 0 0 220.228 2.112 50 5 BEBARN Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000000038679 344017002 /nfs/dbraw/zinc/01/70/02/344017002.db2.gz ULPBJGVRVXWECP-UHFFFAOYSA-N 0 0 217.228 2.397 50 5 BEBARN CCOc1ccc([N+](=O)[O-])cc1OCC ZINC000020177415 342974301 /nfs/dbraw/zinc/97/43/01/342974301.db2.gz DTYUTSMRCQYVNW-UHFFFAOYSA-N 0 0 211.217 2.392 50 5 BEBARN O=[N+]([O-])c1ccc(Cc2cncc(O)c2)cc1 ZINC000000500734 346908484 /nfs/dbraw/zinc/90/84/84/346908484.db2.gz XXWUGOBJUOXNAD-UHFFFAOYSA-N 0 0 230.223 2.286 50 5 BEBARN C[C@@](O)(c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000043368154 343058134 /nfs/dbraw/zinc/05/81/34/343058134.db2.gz VUESJESTGDDESM-MRVPVSSYSA-N 0 0 235.161 2.365 50 5 BEBARN O=c1cccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001234766 343270814 /nfs/dbraw/zinc/27/08/14/343270814.db2.gz PLIGUVVZWLLPNV-UHFFFAOYSA-N 0 0 217.180 2.215 50 5 BEBARN O=[N+]([O-])c1ccc(NCC2(CCO)CC2)cc1 ZINC000157237359 133483417 /nfs/dbraw/zinc/48/34/17/133483417.db2.gz BIOZAIYEHHLICX-UHFFFAOYSA-N 0 0 236.271 2.169 50 5 BEBARN O=[N+]([O-])c1ccc2n[nH]cc2c1Br ZINC000044713412 343512506 /nfs/dbraw/zinc/51/25/06/343512506.db2.gz BHTUCPXIMAPXJQ-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN O=[N+]([O-])c1c[nH]c2ncc(C(F)(F)F)cc12 ZINC000022995868 343736347 /nfs/dbraw/zinc/73/63/47/343736347.db2.gz DVZJILBDNDRDCF-UHFFFAOYSA-N 0 0 231.133 2.490 50 5 BEBARN CCCn1c(CC)nc(Cl)c1[N+](=O)[O-] ZINC000000547629 346998059 /nfs/dbraw/zinc/99/80/59/346998059.db2.gz BFKIPNNXPHHSFE-UHFFFAOYSA-N 0 0 217.656 2.417 50 5 BEBARN Cc1c(C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000004672588 343942503 /nfs/dbraw/zinc/94/25/03/343942503.db2.gz PVVGNDMFXOFABT-UHFFFAOYSA-N 0 0 236.271 2.432 50 5 BEBARN Nc1ncc(-c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000043828037 344253732 /nfs/dbraw/zinc/25/37/32/344253732.db2.gz DLDWBFHDHCJSCS-UHFFFAOYSA-N 0 0 233.202 2.378 50 5 BEBARN Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000033605279 344868362 /nfs/dbraw/zinc/86/83/62/344868362.db2.gz RDCOVUDTFKIURA-UHFFFAOYSA-N 0 0 207.016 2.484 50 5 BEBARN O=[N+]([O-])c1ccc(Nc2cccc(O)c2)nc1 ZINC000005027344 344906043 /nfs/dbraw/zinc/90/60/43/344906043.db2.gz WJZDEXKJKJWWRM-UHFFFAOYSA-N 0 0 231.211 2.439 50 5 BEBARN O=[N+]([O-])c1cccc2ccc(-n3ccnc3)nc21 ZINC000000456645 345781883 /nfs/dbraw/zinc/78/18/83/345781883.db2.gz NDMJXXGOLLYBNC-UHFFFAOYSA-N 0 0 240.222 2.329 50 5 BEBARN Nc1c(Cl)ccc(Cl)c1[N+](=O)[O-] ZINC000005426614 346217789 /nfs/dbraw/zinc/21/77/89/346217789.db2.gz NBROUKOXRAMATE-UHFFFAOYSA-N 0 0 207.016 2.484 50 5 BEBARN Cc1ccccc1Cn1cc([N+](=O)[O-])ccc1=O ZINC000012693768 179294724 /nfs/dbraw/zinc/29/47/24/179294724.db2.gz XSJFBRSKWZFVSJ-UHFFFAOYSA-N 0 0 244.250 2.113 50 5 BEBARN CC(=O)CSCc1ccccc1[N+](=O)[O-] ZINC000081273163 187429548 /nfs/dbraw/zinc/42/95/48/187429548.db2.gz KUNVNTDFECGDPE-UHFFFAOYSA-N 0 0 225.269 2.417 50 5 BEBARN O=[N+]([O-])c1cc2n[nH]cc2c(C(F)(F)F)c1 ZINC000089196520 191021247 /nfs/dbraw/zinc/02/12/47/191021247.db2.gz OQSAMGQYHIMFPN-UHFFFAOYSA-N 0 0 231.133 2.490 50 5 BEBARN Cc1ncc([N+](=O)[O-])n1Cc1cccc(F)c1 ZINC000001423870 180176620 /nfs/dbraw/zinc/17/66/20/180176620.db2.gz MTVLADRZIIFXLJ-UHFFFAOYSA-N 0 0 235.218 2.287 50 5 BEBARN Cc1coc2cc([N+](=O)[O-])ccc2c1=O ZINC000001041958 350993227 /nfs/dbraw/zinc/99/32/27/350993227.db2.gz AAUIMCTVBWCANB-UHFFFAOYSA-N 0 0 205.169 2.010 50 5 BEBARN CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000017086984 363016103 /nfs/dbraw/zinc/01/61/03/363016103.db2.gz PHZYNEDUPZITLO-UHFFFAOYSA-N 0 0 209.230 2.193 50 5 BEBARN Cn1cccc1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000003167397 180724404 /nfs/dbraw/zinc/72/44/04/180724404.db2.gz DNYFQKUVLWRPEU-UHFFFAOYSA-N 0 0 230.223 2.164 50 5 BEBARN CC(C)(O)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000065534554 187786059 /nfs/dbraw/zinc/78/60/59/187786059.db2.gz NGZXIFBARQVVOM-UHFFFAOYSA-N 0 0 244.678 2.431 50 5 BEBARN COc1ccc([N+](=O)[O-])c2ccc(C)nc12 ZINC000008306576 188103817 /nfs/dbraw/zinc/10/38/17/188103817.db2.gz ANYICLJOTYWVFL-UHFFFAOYSA-N 0 0 218.212 2.460 50 5 BEBARN Cc1cnc(Br)cc1[N+](=O)[O-] ZINC000035569821 188111762 /nfs/dbraw/zinc/11/17/62/188111762.db2.gz AHLJFEVQBNWRRI-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 BEBARN CC(C)N(c1ccc([N+](=O)[O-])c(N)n1)C(C)C ZINC000227174046 188184532 /nfs/dbraw/zinc/18/45/32/188184532.db2.gz VUAJEXBAXHEFGD-UHFFFAOYSA-N 0 0 238.291 2.195 50 5 BEBARN O=[N+]([O-])c1cc(Br)cc2cn[nH]c21 ZINC000001395179 353347934 /nfs/dbraw/zinc/34/79/34/353347934.db2.gz UBGVVAXTJXNHFX-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN CCc1ccc(OCCOC)c([N+](=O)[O-])c1 ZINC000071908699 188490009 /nfs/dbraw/zinc/49/00/09/188490009.db2.gz CGINHLGJQDLAEZ-UHFFFAOYSA-N 0 0 225.244 2.182 50 5 BEBARN Nc1ccc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000006091749 355855731 /nfs/dbraw/zinc/85/57/31/355855731.db2.gz GTCVNPULEBIHMP-UHFFFAOYSA-N 0 0 207.016 2.484 50 5 BEBARN CCOC(=O)c1cccc(OCC)c1[N+](=O)[O-] ZINC000075279232 356938056 /nfs/dbraw/zinc/93/80/56/356938056.db2.gz ZQOOPISIOCTHMV-UHFFFAOYSA-N 0 0 239.227 2.170 50 5 BEBARN CCSc1ncc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000075279847 356938572 /nfs/dbraw/zinc/93/85/72/356938572.db2.gz CWULBJOJHJPTHY-UHFFFAOYSA-N 0 0 243.244 2.318 50 5 BEBARN O=C(OCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000001638518 357037729 /nfs/dbraw/zinc/03/77/29/357037729.db2.gz HRCUKIJQVPJNQC-UHFFFAOYSA-N 0 0 221.212 2.162 50 5 BEBARN O=Cc1cc([N+](=O)[O-])ccc1OCC(F)F ZINC000037756024 364584399 /nfs/dbraw/zinc/58/43/99/364584399.db2.gz SRFIHNZRFPVQQK-UHFFFAOYSA-N 0 0 231.154 2.051 50 5 BEBARN O=[N+]([O-])c1cccc(Cl)c1-n1ccnc1 ZINC000012396455 370863361 /nfs/dbraw/zinc/86/33/61/370863361.db2.gz DNNPDLCUXNJETR-UHFFFAOYSA-N 0 0 223.619 2.434 50 5 BEBARN O=[N+]([O-])c1ccc(CSc2nc[nH]n2)cc1 ZINC000018286442 371068605 /nfs/dbraw/zinc/06/86/05/371068605.db2.gz GAPVDAUIUSONCC-UHFFFAOYSA-N 0 0 236.256 2.005 50 5 BEBARN Nc1c(C(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000004433408 181666667 /nfs/dbraw/zinc/66/66/67/181666667.db2.gz FEHRHLWOOXHURY-UHFFFAOYSA-N 0 0 242.234 2.408 50 5 BEBARN Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000000118913 181777538 /nfs/dbraw/zinc/77/75/38/181777538.db2.gz CHBDOPARQRNCDM-UHFFFAOYSA-N 0 0 221.241 2.301 50 5 BEBARN O=[N+]([O-])c1ccc(Br)c(F)c1 ZINC000002563861 371586140 /nfs/dbraw/zinc/58/61/40/371586140.db2.gz AZYQMHQOHNGPRR-UHFFFAOYSA-N 0 0 219.997 2.496 50 5 BEBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)nc1Cl ZINC000002566307 371594642 /nfs/dbraw/zinc/59/46/42/371594642.db2.gz FMDQMILDRPQMFU-UHFFFAOYSA-N 0 0 237.986 2.205 50 5 BEBARN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)CCCC2 ZINC000004128051 372148185 /nfs/dbraw/zinc/14/81/85/372148185.db2.gz XYARKBJAQYVUJO-UHFFFAOYSA-N 0 0 222.200 2.382 50 5 BEBARN O=[N+]([O-])/C=C/c1ccc2c(c1)CCCO2 ZINC000004159508 372154162 /nfs/dbraw/zinc/15/41/62/372154162.db2.gz CNSMZWUDRMEYQP-AATRIKPKSA-N 0 0 205.213 2.259 50 5 BEBARN O=[N+]([O-])c1ccc(NC[C@@H]2CCCO2)c(F)c1 ZINC000004255991 372185006 /nfs/dbraw/zinc/18/50/06/372185006.db2.gz OMBAIUNBSJSENC-VIFPVBQESA-N 0 0 240.234 2.325 50 5 BEBARN O=C(NC1CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000483086 182100385 /nfs/dbraw/zinc/10/03/85/182100385.db2.gz KTIKUVKUIPKCSR-UHFFFAOYSA-N 0 0 240.646 2.140 50 5 BEBARN O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000001603644 182372452 /nfs/dbraw/zinc/37/24/52/182372452.db2.gz IWWQPBHGXPDITK-UHFFFAOYSA-N 0 0 235.243 2.223 50 5 BEBARN O=C(Nc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000000286234 182383008 /nfs/dbraw/zinc/38/30/08/182383008.db2.gz TVVXMFINZFSSKR-UHFFFAOYSA-N 0 0 243.222 2.242 50 5 BEBARN CCCCOc1ncc([N+](=O)[O-])cc1C ZINC000261494166 168921574 /nfs/dbraw/zinc/92/15/74/168921574.db2.gz RIPLQKXXEIGKKW-UHFFFAOYSA-N 0 0 210.233 2.477 50 5 BEBARN O=[N+]([O-])CCOc1cccc2ccccc21 ZINC000001140991 182920361 /nfs/dbraw/zinc/92/03/61/182920361.db2.gz HIPPASYKWOIHPL-UHFFFAOYSA-N 0 0 217.224 2.495 50 5 BEBARN O=[N+]([O-])c1cc2c[nH]nc2cc1Br ZINC000089197076 182926408 /nfs/dbraw/zinc/92/64/08/182926408.db2.gz YZKXPWFCVVSHCK-UHFFFAOYSA-N 0 0 242.032 2.234 50 5 BEBARN O=[N+]([O-])c1ccc(Cl)c(C2N3CCCN23)c1 ZINC000019168729 182932389 /nfs/dbraw/zinc/93/23/89/182932389.db2.gz CYGARIZDSGCDTF-UHFFFAOYSA-N 0 0 239.662 2.183 50 5 BEBARN O=[N+]([O-])c1ccc(N[C@H]2CC[C@H](O)CC2)cc1 ZINC000252512154 182937479 /nfs/dbraw/zinc/93/74/79/182937479.db2.gz NHEUKEMSVNDSIK-UMSPYCQHSA-N 0 0 236.271 2.310 50 5 BEBARN O=c1ccc([N+](=O)[O-])ccc1Nc1ccccn1 ZINC000004794087 183001178 /nfs/dbraw/zinc/00/11/78/183001178.db2.gz XSSOSJHRUVFLJJ-UHFFFAOYSA-N 0 0 243.222 2.094 50 5 biogenic BEBARN CCCN(CC(F)F)c1ncccc1[N+](=O)[O-] ZINC000071904152 169108429 /nfs/dbraw/zinc/10/84/29/169108429.db2.gz YDSCISUOYJHRIF-UHFFFAOYSA-N 0 0 245.229 2.471 50 5 BEBARN CCCN(CCC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000001233450 169145430 /nfs/dbraw/zinc/14/54/30/169145430.db2.gz SLOORKXUFLBPSL-UHFFFAOYSA-N 0 0 240.259 2.450 50 5 BEBARN CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000002765388 169212910 /nfs/dbraw/zinc/21/29/10/169212910.db2.gz GHYKZGICYMRAGB-VMPITWQZSA-N 0 0 234.255 2.134 50 5 BEBARN CCCSc1nc(N)c([N+](=O)[O-])c(Cl)n1 ZINC000091296974 169342187 /nfs/dbraw/zinc/34/21/87/169342187.db2.gz HYPNPORTLYFXRF-UHFFFAOYSA-N 0 0 248.695 2.123 50 5 BEBARN c1ccn2c(c1)nc1nc3ccccc3nc12 ZINC000011535671 183459963 /nfs/dbraw/zinc/45/99/63/183459963.db2.gz HWQAREWPJPBYRJ-UHFFFAOYSA-N 0 0 220.235 2.431 50 5 BEBARN CC(C)(CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004142066 384041952 /nfs/dbraw/zinc/04/19/52/384041952.db2.gz TUJXRTYLPBNKML-UHFFFAOYSA-N 0 0 244.678 2.431 50 5 BEBARN Cc1cnc(Br)c([N+](=O)[O-])c1 ZINC000016123673 384450763 /nfs/dbraw/zinc/45/07/63/384450763.db2.gz AESPBTFGZRRYRJ-UHFFFAOYSA-N 0 0 217.022 2.061 50 5 BEBARN O=[N+]([O-])c1ncn(C23CC4CC(CC(C4)C2)C3)n1 ZINC000004576808 384430637 /nfs/dbraw/zinc/43/06/37/384430637.db2.gz YDPOBHWXRSITLP-UHFFFAOYSA-N 0 0 248.286 2.112 50 5 BEBARN O=C(c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000100077150 384614990 /nfs/dbraw/zinc/61/49/90/384614990.db2.gz SMAUUHMFSKFQNB-UHFFFAOYSA-N 0 0 219.118 2.340 50 5 BEBARN CCCc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000100423965 384639679 /nfs/dbraw/zinc/63/96/79/384639679.db2.gz UKFPACCFXXOSBP-UHFFFAOYSA-N 0 0 247.254 2.439 50 5 BEBARN CC(=O)c1cc(F)cc(F)c1[N+](=O)[O-] ZINC000263622789 385009422 /nfs/dbraw/zinc/00/94/22/385009422.db2.gz AXTHROLBVUDKQV-UHFFFAOYSA-N 0 0 201.128 2.076 50 5 BEBARN Nc1cc(Br)c(F)c([N+](=O)[O-])c1 ZINC000085476968 385196332 /nfs/dbraw/zinc/19/63/32/385196332.db2.gz QOGWFKJMBVQBNM-UHFFFAOYSA-N 0 0 235.012 2.079 50 5 BEBARN COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000152974 385263962 /nfs/dbraw/zinc/26/39/62/385263962.db2.gz XRTKWPWDSUNLHS-UHFFFAOYSA-N 0 0 215.592 2.035 50 5 BEBARN Cc1nnc(COc2ccc(C)cc2[N+](=O)[O-])o1 ZINC000024733299 385841257 /nfs/dbraw/zinc/84/12/57/385841257.db2.gz IFMQVBXXONLICV-UHFFFAOYSA-N 0 0 249.226 2.174 50 5 BEBARN CC(C)n1ncc([N+](=O)[O-])c1Br ZINC000223253615 386339262 /nfs/dbraw/zinc/33/92/62/386339262.db2.gz PEQPEYXSSUVPEN-UHFFFAOYSA-N 0 0 234.053 2.135 50 5 BEBARN CCn1c2ccc([N+](=O)[O-])cc2nc1[C@@H](C)O ZINC000014988479 386657090 /nfs/dbraw/zinc/65/70/90/386657090.db2.gz NDJGHNYIENKVSA-SSDOTTSWSA-N 0 0 235.243 2.018 50 5 BEBARN COc1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-] ZINC000001672521 387333371 /nfs/dbraw/zinc/33/33/71/387333371.db2.gz RJKDSQQOZYXNMJ-UHFFFAOYSA-N 0 0 232.579 2.165 50 5 BEBARN CC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000001690213 387415589 /nfs/dbraw/zinc/41/55/89/387415589.db2.gz MKWCZAGQLZTPIE-UHFFFAOYSA-N 0 0 204.185 2.279 50 5 BEBARN COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1OC ZINC000026522328 387482826 /nfs/dbraw/zinc/48/28/26/387482826.db2.gz SPSVQVKAYOHSBJ-UHFFFAOYSA-N 0 0 245.618 2.043 50 5 BEBARN CNc1ccc(Nc2ccc([N+](=O)[O-])cn2)cn1 ZINC000042739435 388111384 /nfs/dbraw/zinc/11/13/84/388111384.db2.gz NCUMVALQMQRFNX-UHFFFAOYSA-N 0 0 245.242 2.170 50 5 BEBARN O=Cc1c(O)ccc2cc([N+](=O)[O-])ccc12 ZINC000003190907 388368753 /nfs/dbraw/zinc/36/87/53/388368753.db2.gz NSMXSOJJDHNPSX-UHFFFAOYSA-N 0 0 217.180 2.266 50 5 BEBARN CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CCC1 ZINC000040509268 388419535 /nfs/dbraw/zinc/41/95/35/388419535.db2.gz LBNYWNJBHLVHPI-UHFFFAOYSA-N 0 0 248.282 2.353 50 5 BEBARN COc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000113541539 388676243 /nfs/dbraw/zinc/67/62/43/388676243.db2.gz WGZSTQPRYUSALF-UHFFFAOYSA-N 0 0 205.572 2.396 50 5 BEBARN O=[N+]([O-])c1cnn(CCc2cccs2)c1 ZINC000077931454 388678152 /nfs/dbraw/zinc/67/81/52/388678152.db2.gz MAHNMWOLOKQTIJ-UHFFFAOYSA-N 0 0 223.257 2.096 50 5 BEBARN O=[N+]([O-])c1ccc(C(F)(F)F)cc1CO ZINC000095080204 388757652 /nfs/dbraw/zinc/75/76/52/388757652.db2.gz GQOSINQFQQRBFR-UHFFFAOYSA-N 0 0 221.134 2.106 50 5 BEBARN CC(=O)Oc1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000068590563 388714934 /nfs/dbraw/zinc/71/49/34/388714934.db2.gz SHCXXBYOULUHJF-UHFFFAOYSA-N 0 0 220.184 2.001 50 5 BEBARN C[C@H]1O[C@H](c2cccc([N+](=O)[O-])c2)O[C@H]1C ZINC000252448802 388758378 /nfs/dbraw/zinc/75/83/78/388758378.db2.gz SJZKKJDKHOYPBP-VROVMSAKSA-N 0 0 223.228 2.417 50 5 BEBARN CN(C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000022610960 388835961 /nfs/dbraw/zinc/83/59/61/388835961.db2.gz GAHIRXNSTICIBY-UHFFFAOYSA-N 0 0 245.076 2.423 50 5 BEBARN C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000003884511 132315597 /nfs/dbraw/zinc/31/55/97/132315597.db2.gz XCCYGUOUNHECSY-UWVGGRQHSA-N 0 0 236.271 2.208 50 5 BEBARN O=[N+]([O-])c1ccc(N2CCCCC2)c2nonc21 ZINC000004006784 132316155 /nfs/dbraw/zinc/31/61/55/132316155.db2.gz KQERZOAUQVHYLM-UHFFFAOYSA-N 0 0 248.242 2.121 50 5 BEBARN O=[N+]([O-])c1c(Cl)ncnc1N1CCCCC1 ZINC000004243344 132316411 /nfs/dbraw/zinc/31/64/11/132316411.db2.gz DUUANYMIZRXPBG-UHFFFAOYSA-N 0 0 242.666 2.029 50 5 BEBARN O=[N+]([O-])c1ccc(N2CCSCC2)c(F)c1 ZINC000034507373 132336777 /nfs/dbraw/zinc/33/67/77/132336777.db2.gz PUZPGWLYSCSDBO-UHFFFAOYSA-N 0 0 242.275 2.287 50 5 BEBARN COC(=O)CSc1cc(C)ccc1[N+](=O)[O-] ZINC000088698648 397928398 /nfs/dbraw/zinc/92/83/98/397928398.db2.gz IPNCTDBEIVAYTQ-UHFFFAOYSA-N 0 0 241.268 2.168 50 5 BEBARN CC(C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000095447680 167086275 /nfs/dbraw/zinc/08/62/75/167086275.db2.gz VZNDHGQXASOHFU-UHFFFAOYSA-N 0 0 247.254 2.214 50 5 BEBARN CC(C)Oc1nc(Cl)ccc1[N+](=O)[O-] ZINC000034520911 167313256 /nfs/dbraw/zinc/31/32/56/167313256.db2.gz DKFKAZUTHFILIQ-UHFFFAOYSA-N 0 0 216.624 2.430 50 5 BEBARN CCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000002156130 168244756 /nfs/dbraw/zinc/24/47/56/168244756.db2.gz YVJJFRFIHKPAIH-UHFFFAOYSA-N 0 0 208.217 2.252 50 5 BEBARN CCNc1sc(C(C)=O)cc1[N+](=O)[O-] ZINC000004258312 170179358 /nfs/dbraw/zinc/17/93/58/170179358.db2.gz OWIAPOILUMPHHP-UHFFFAOYSA-N 0 0 214.246 2.291 50 5 BEBARN CCOC(=O)CCc1cc([N+](=O)[O-])cs1 ZINC000261493857 170211931 /nfs/dbraw/zinc/21/19/31/170211931.db2.gz KVCLCXWYOOHBLZ-UHFFFAOYSA-N 0 0 229.257 2.152 50 5 BEBARN CCOC(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000035333620 170212482 /nfs/dbraw/zinc/21/24/82/170212482.db2.gz QGKUTNMKCRVGRE-UHFFFAOYSA-N 0 0 223.228 2.091 50 5 BEBARN CCOC(=O)Cc1ccc([N+](=O)[O-])cc1C ZINC000085210448 170235700 /nfs/dbraw/zinc/23/57/00/170235700.db2.gz CLQRCGACMNLMIF-UHFFFAOYSA-N 0 0 223.228 2.009 50 5 BEBARN CCOC(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000047202806 170292083 /nfs/dbraw/zinc/29/20/83/170292083.db2.gz BKVLJZWOBHTSHB-UHFFFAOYSA-N 0 0 231.154 2.050 50 5 BEBARN CCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000035333396 170292385 /nfs/dbraw/zinc/29/23/85/170292385.db2.gz ULVDREMXRMEWOP-UHFFFAOYSA-N 0 0 229.619 2.425 50 5 BEBARN CCOC(=O)c1cc([N+](=O)[O-])ccc1OCC ZINC000000616612 170293398 /nfs/dbraw/zinc/29/33/98/170293398.db2.gz XBYMFRCPFAPCLJ-UHFFFAOYSA-N 0 0 239.227 2.170 50 5 BEBARN CCOc1ccc(-c2[nH]cnc2[N+](=O)[O-])cc1 ZINC000000272997 170530521 /nfs/dbraw/zinc/53/05/21/170530521.db2.gz POZWQJYPVMMEGC-UHFFFAOYSA-N 0 0 233.227 2.384 50 5 BEBARN CC[C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000002745244 170748156 /nfs/dbraw/zinc/74/81/56/170748156.db2.gz NYTBNNHPQVULBM-SECBINFHSA-N 0 0 236.271 2.432 50 5 BEBARN CC[C@@](C)([N+](=O)[O-])C1([N+](=O)[O-])CCCCC1 ZINC000002141630 171193565 /nfs/dbraw/zinc/19/35/65/171193565.db2.gz JGDVBWIUHFZXOF-SECBINFHSA-N 0 0 230.264 2.411 50 5 BEBARN CCn1nccc1COc1ccccc1[N+](=O)[O-] ZINC000072209523 172274322 /nfs/dbraw/zinc/27/43/22/172274322.db2.gz BHOIUVNQEKPVEP-UHFFFAOYSA-N 0 0 247.254 2.390 50 5 BEBARN COc1cc2c(C)ccnc2c([N+](=O)[O-])c1 ZINC000001843189 175017610 /nfs/dbraw/zinc/01/76/10/175017610.db2.gz KPCFAJYWXDJETH-UHFFFAOYSA-N 0 0 218.212 2.460 50 5 BEBARN COc1cc([N+](=O)[O-])ccc1Br ZINC000001598621 175017783 /nfs/dbraw/zinc/01/77/83/175017783.db2.gz NTKADLOYTKVXQN-UHFFFAOYSA-N 0 0 232.033 2.366 50 5 BEBARN COc1ccc(Br)c([N+](=O)[O-])c1 ZINC000002510104 175051364 /nfs/dbraw/zinc/05/13/64/175051364.db2.gz KCOBIBRGPCFIGF-UHFFFAOYSA-N 0 0 232.033 2.366 50 5 BEBARN COc1ccc(Cl)c([N+](=O)[O-])c1F ZINC000261493774 175118903 /nfs/dbraw/zinc/11/89/03/175118903.db2.gz IYJQIXWTMWDXKW-UHFFFAOYSA-N 0 0 205.572 2.396 50 5 BEBARN COc1ccc(Cl)c([N+](=O)[O-])c1OC ZINC000001508003 175118910 /nfs/dbraw/zinc/11/89/10/175118910.db2.gz GIWDKAUSMLFFAF-UHFFFAOYSA-N 0 0 217.608 2.265 50 5 BEBARN COc1ccc(OC)c(/C=C(\C)[N+](=O)[O-])c1 ZINC000004695273 175163445 /nfs/dbraw/zinc/16/34/45/175163445.db2.gz MQFREHNTGKNSRH-SOFGYWHQSA-N 0 0 223.228 2.341 50 5 BEBARN COc1ccc2ccncc2c1[N+](=O)[O-] ZINC000000337073 175226851 /nfs/dbraw/zinc/22/68/51/175226851.db2.gz WDJGGSQGWMVUOD-UHFFFAOYSA-N 0 0 204.185 2.152 50 5 BEBARN C[C@@H]1CCC[C@@H](CCn2cnc([N+](=O)[O-])n2)C1 ZINC000252480879 176117750 /nfs/dbraw/zinc/11/77/50/176117750.db2.gz CFRLVHVKGMZKSC-ZJUUUORDSA-N 0 0 238.291 2.403 50 5 BEBARN Cc1c(CNC(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000225577077 177587294 /nfs/dbraw/zinc/58/72/94/177587294.db2.gz VHLDSIHMYSELOC-UHFFFAOYSA-N 0 0 236.271 2.175 50 5 BEBARN O=Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000036533235 487762583 /nfs/dbraw/zinc/76/25/83/487762583.db2.gz VVTSZQWGTDZBFV-UHFFFAOYSA-N 0 0 236.046 2.231 50 5 BEBARN COc1cccc(Br)c1[N+](=O)[O-] ZINC000002022148 525780851 /nfs/dbraw/zinc/78/08/51/525780851.db2.gz ORSPVBUIPTYLLO-UHFFFAOYSA-N 0 0 232.033 2.366 50 5 BEBARN O=[N+]([O-])c1ccc(F)c(Br)c1 ZINC000001845791 566438511 /nfs/dbraw/zinc/43/85/11/566438511.db2.gz FAWMTDSAMOCUAR-UHFFFAOYSA-N 0 0 219.997 2.496 50 5 BEBARN