smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(O[C@@H]1CCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000001716927 219416988 /nfs/dbraw/zinc/41/69/88/219416988.db2.gz XBACMRRDBWKSLE-IAGOWNOFSA-N 0 0 355.346 3.530 40 5 FHBBRN COc1cc2cc(OC(C)=O)c3cc4c(cc3c2c(OC)c1OC)OCO4 ZINC000001630895 204014922 /nfs/dbraw/zinc/01/49/22/204014922.db2.gz CRVGLGHCTLVKNY-UHFFFAOYSA-N 0 0 370.357 3.673 40 5 FHBBRN COc1ccc(OC)c2c(OC(C)=O)c3ccccc3c(OC(C)=O)c12 ZINC000001680167 204016600 /nfs/dbraw/zinc/01/66/00/204016600.db2.gz JMYNKCHPBNDTOS-UHFFFAOYSA-N 0 0 354.358 3.861 40 5 FHBBRN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000002197757 204028640 /nfs/dbraw/zinc/02/86/40/204028640.db2.gz ARYQMOWMQUHBMY-XHVUQVIVSA-N 0 0 364.401 3.777 40 5 FHBBRN O=[N+]([O-])c1cccc(-c2nnc3n2N[C@H](c2ccc(Cl)cc2)S3)c1 ZINC000003843199 204111604 /nfs/dbraw/zinc/11/16/04/204111604.db2.gz SEQADIJGWPKIJY-AWEZNQCLSA-N 0 0 359.798 3.855 40 5 FHBBRN O=c1[nH][nH]c(-c2ccccc2O)c1[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000004649871 204151399 /nfs/dbraw/zinc/15/13/99/204151399.db2.gz RGABZWGGUAZNOC-ZDUSSCGKSA-N 0 0 359.769 3.550 40 5 FHBBRN O=C(c1ccccc1)N(Cn1nnc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000005601254 204216699 /nfs/dbraw/zinc/21/66/99/204216699.db2.gz DEFONTPXZVRFHO-UHFFFAOYSA-N 0 0 373.372 3.644 40 5 FHBBRN COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005879589 204227974 /nfs/dbraw/zinc/22/79/74/204227974.db2.gz CUSJRNXMJAJHNF-VQHVLOKHSA-N 0 0 360.753 3.687 40 5 FHBBRN Cc1c(OCC(=O)Nc2cccc(NC(=O)C(C)C)c2)cccc1[N+](=O)[O-] ZINC000005881733 204227990 /nfs/dbraw/zinc/22/79/90/204227990.db2.gz FCICXYVKGGBPAJ-UHFFFAOYSA-N 0 0 371.393 3.515 40 5 FHBBRN O=[N+]([O-])c1cc(Cl)c(NC(=S)Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000006269683 204243201 /nfs/dbraw/zinc/24/32/01/204243201.db2.gz LISPURVPVMLJRB-UHFFFAOYSA-N 0 0 352.759 3.965 40 5 FHBBRN COc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000044902259 206073920 /nfs/dbraw/zinc/07/39/20/206073920.db2.gz LBBQNTRCWFWAOK-SNVBAGLBSA-N 0 0 364.785 3.756 40 5 FHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(C(C)C)cc1 ZINC000115107858 206095319 /nfs/dbraw/zinc/09/53/19/206095319.db2.gz WQAPWRQULJISIY-UHFFFAOYSA-N 0 0 362.451 3.847 40 5 FHBBRN COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000020493022 206333826 /nfs/dbraw/zinc/33/38/26/206333826.db2.gz ADNWPZUYQXYULV-JTQLQIEISA-N 0 0 364.785 3.756 40 5 FHBBRN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000217866493 206366272 /nfs/dbraw/zinc/36/62/72/206366272.db2.gz LKRFYXSNURHSBS-INIZCTEOSA-N 0 0 356.378 3.636 40 5 FHBBRN CCOC(=O)c1ccc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000218047679 206367720 /nfs/dbraw/zinc/36/77/20/206367720.db2.gz HCESMRZJIHVVQA-UHFFFAOYSA-N 0 0 374.418 3.643 40 5 FHBBRN CCCC1=C(C)NC(C)=C(C(=O)OCCOC)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102964093 222316711 /nfs/dbraw/zinc/31/67/11/222316711.db2.gz YCESXGUNGIQEMJ-LJQANCHMSA-N 0 0 374.437 3.819 40 5 FHBBRN COc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2C)c(OC)c1OC ZINC000006232909 263344473 /nfs/dbraw/zinc/34/44/73/263344473.db2.gz LXFBGJNECXNJFQ-PKNBQFBNSA-N 0 0 372.377 3.581 40 5 FHBBRN Cc1cccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000017076242 263372204 /nfs/dbraw/zinc/37/22/04/263372204.db2.gz KVQIMEGONWOTQY-UHFFFAOYSA-N 0 0 372.431 3.640 40 5 FHBBRN CNC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408975694 263512794 /nfs/dbraw/zinc/51/27/94/263512794.db2.gz LPNHQFSAFMFDTD-UHFFFAOYSA-N 0 0 370.441 3.796 40 5 FHBBRN CC[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000217890146 522351410 /nfs/dbraw/zinc/35/14/10/522351410.db2.gz JGDHIDQUHVXRMG-YRYLYKBFSA-N 0 0 370.405 3.893 40 5 FHBBRN Cc1ccccc1OC[C@@H](C)NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000218050878 525304253 /nfs/dbraw/zinc/30/42/53/525304253.db2.gz DZORNCLZASYDOE-OAHLLOKOSA-N 0 0 374.462 3.720 40 5 FHBBRN Cc1ccc(OC[C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000218051114 525436862 /nfs/dbraw/zinc/43/68/62/525436862.db2.gz RTXWGSCUHYBTAP-HNNXBMFYSA-N 0 0 374.462 3.720 40 5 FHBBRN Cc1cc(C)cc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000003514320 570547689 /nfs/dbraw/zinc/54/76/89/570547689.db2.gz JEKFNLHVIFLASV-UHFFFAOYSA-N 0 0 362.769 3.661 40 5 FHBBRN Cc1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000003514262 570547740 /nfs/dbraw/zinc/54/77/40/570547740.db2.gz ODVICSLMLZFASY-UHFFFAOYSA-N 0 0 362.769 3.661 40 5 FHBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2C(C)=O)nnc1-c1ccco1 ZINC000408581605 570569250 /nfs/dbraw/zinc/56/92/50/570569250.db2.gz JMPWRIKPBQSQLN-UHFFFAOYSA-N 0 0 358.379 3.820 40 5 FHBBRN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(Cc2ccccc2)o1 ZINC000408582161 570569266 /nfs/dbraw/zinc/56/92/66/570569266.db2.gz MEXPDXRRDQMGOX-UHFFFAOYSA-N 0 0 355.375 3.922 40 5 FHBBRN CCn1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1ccccc1O ZINC000408608403 570570174 /nfs/dbraw/zinc/57/01/74/570570174.db2.gz WFDCAEDNTDGWSH-UHFFFAOYSA-N 0 0 370.390 3.543 40 5 FHBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)Cc1ccccc1 ZINC000408628426 570570920 /nfs/dbraw/zinc/57/09/20/570570920.db2.gz SWEYGAWYURLJCO-UHFFFAOYSA-N 0 0 363.826 3.612 40 5 FHBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(Cl)c3)CC2=O)cc1[N+](=O)[O-] ZINC000408648520 570571336 /nfs/dbraw/zinc/57/13/36/570571336.db2.gz YNRXNFWJJYDOAZ-LBPRGKRZSA-N 0 0 373.796 3.548 40 5 FHBBRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408714434 570572874 /nfs/dbraw/zinc/57/28/74/570572874.db2.gz QQPOFNVDAQODIG-UHFFFAOYSA-N 0 0 372.768 3.570 40 5 FHBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 ZINC000409249545 570585726 /nfs/dbraw/zinc/58/57/26/570585726.db2.gz USPGOVACYBWIBW-OVCLIPMQSA-N 0 0 371.780 3.650 40 5 FHBBRN CCN(CC)C(=S)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 ZINC000408996581 570709104 /nfs/dbraw/zinc/70/91/04/570709104.db2.gz QDVOGKIHLYULFK-UHFFFAOYSA-N 0 0 368.462 3.593 40 5 FHBBRN COc1ccc(-n2c(C)nnc2SCc2cccc([N+](=O)[O-])c2)cc1 ZINC000409106670 570726483 /nfs/dbraw/zinc/72/64/83/570726483.db2.gz SHQSISZFXXNVGY-UHFFFAOYSA-N 0 0 356.407 3.785 40 5 FHBBRN COc1ccc(Cc2nnc(SC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000409390801 570755832 /nfs/dbraw/zinc/75/58/32/570755832.db2.gz FSBYFVUCLVYVEG-UHFFFAOYSA-N 0 0 371.374 3.510 40 5 FHBBRN CN(Cc1cccc2ccccc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000014737409 570822970 /nfs/dbraw/zinc/82/29/70/570822970.db2.gz AHOXKSFPCSGCCL-UHFFFAOYSA-N 0 0 356.403 3.569 40 5 FHBBRN COC(=O)c1ccc(NCc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000039956303 570837025 /nfs/dbraw/zinc/83/70/25/570837025.db2.gz PRPZLXDUHMNAFW-UHFFFAOYSA-N 0 0 365.183 3.756 40 5 FHBBRN CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C)c1 ZINC000013674773 571110444 /nfs/dbraw/zinc/11/04/44/571110444.db2.gz VEPTUJIAOOAMGE-UHFFFAOYSA-N 0 0 362.769 3.986 40 5 FHBBRN CN(c1ccc([N+](=O)[O-])cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000016158974 571154234 /nfs/dbraw/zinc/15/42/34/571154234.db2.gz VYHLFVMKERYCFV-UHFFFAOYSA-N 0 0 353.394 3.570 40 5 FHBBRN CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000007721309 571286537 /nfs/dbraw/zinc/28/65/37/571286537.db2.gz IYACKJLFYOGPEM-UHFFFAOYSA-N 0 0 372.768 3.570 40 5 FHBBRN COCCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1 ZINC000012351668 571303458 /nfs/dbraw/zinc/30/34/58/571303458.db2.gz OTXXXZGXNPPYJJ-UHFFFAOYSA-N 0 0 370.434 3.792 40 5 FHBBRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000008904060 571320908 /nfs/dbraw/zinc/32/09/08/571320908.db2.gz VWVXIOZXUPTSHO-UHFFFAOYSA-N 0 0 358.350 3.930 40 5 FHBBRN O=[N+]([O-])c1ccccc1CNc1cc(Cl)nc(-c2ccc(F)cc2)n1 ZINC000329000646 571326508 /nfs/dbraw/zinc/32/65/08/571326508.db2.gz KAMWBAFQIUJZOO-UHFFFAOYSA-N 0 0 358.760 3.878 40 5 FHBBRN CC(C)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(-c2ccccc2)n1 ZINC000329000653 571326563 /nfs/dbraw/zinc/32/65/63/571326563.db2.gz KAPDTWYWPOHCFG-UHFFFAOYSA-N 0 0 367.384 3.599 40 5 FHBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000020140891 571328048 /nfs/dbraw/zinc/32/80/48/571328048.db2.gz RLYZVDCWNOIKKL-UHFFFAOYSA-N 0 0 352.346 3.908 40 5 FHBBRN CCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(=O)c2cc(C)ccc21 ZINC000022234717 571336390 /nfs/dbraw/zinc/33/63/90/571336390.db2.gz POOWRJRHJXMVRH-UHFFFAOYSA-N 0 0 365.389 3.799 40 5 FHBBRN CCCSc1nnc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1 ZINC000225579388 571337165 /nfs/dbraw/zinc/33/71/65/571337165.db2.gz DYVRLTRLTSCSPW-VMPITWQZSA-N 0 0 350.425 3.600 40 5 FHBBRN COc1ccc(CCNc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC ZINC000059461232 571357263 /nfs/dbraw/zinc/35/72/63/571357263.db2.gz WLRICDOVEJOALV-UHFFFAOYSA-N 0 0 359.407 3.876 40 5 FHBBRN CC[C@@H](C)Nc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(C(F)(F)F)n1 ZINC000329025333 203846889 /nfs/dbraw/zinc/84/68/89/203846889.db2.gz PFWLJTYOYAZTEC-SECBINFHSA-N 0 0 369.347 3.510 40 5 FHBBRN CC[C@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccccn2)n1 ZINC000329000665 203844953 /nfs/dbraw/zinc/84/49/53/203844953.db2.gz KBBKTDHJJFWCHL-ZDUSSCGKSA-N 0 0 364.409 3.823 40 5 FHBBRN O=C(COc1cc([N+](=O)[O-])ccc1F)Nc1ccc(Br)cc1 ZINC000002769861 203806784 /nfs/dbraw/zinc/80/67/84/203806784.db2.gz GPCVFQIKDLUFRA-UHFFFAOYSA-N 0 0 369.146 3.514 40 5 FHBBRN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1NC(=O)c1ccco1 ZINC000000882234 203959924 /nfs/dbraw/zinc/95/99/24/203959924.db2.gz OPFHKZVTGNQIPZ-UHFFFAOYSA-N 0 0 355.306 3.594 40 5 FHBBRN COc1cc(C(=O)c2ccc(Br)cc2)c([N+](=O)[O-])cc1OC ZINC000004291026 204131533 /nfs/dbraw/zinc/13/15/33/204131533.db2.gz SGUFJTHPPFGPCT-UHFFFAOYSA-N 0 0 366.167 3.606 40 5 FHBBRN COc1ccc(Nc2nc(Nc3ccccc3O)nc(C)c2[N+](=O)[O-])cc1 ZINC000005360808 204204843 /nfs/dbraw/zinc/20/48/43/204204843.db2.gz WLLZMHHKOWKKPA-UHFFFAOYSA-N 0 0 367.365 3.895 40 5 FHBBRN CCOC(=O)CC(=O)N(c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000005650542 204219248 /nfs/dbraw/zinc/21/92/48/204219248.db2.gz ZRYOWWCGEBQSKY-UHFFFAOYSA-N 0 0 362.769 3.866 40 5 in-vitro FHBBRN Cc1c(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cccc1[N+](=O)[O-] ZINC000006254641 204242013 /nfs/dbraw/zinc/24/20/13/204242013.db2.gz NEKYIFAGZRRXEH-UHFFFAOYSA-N 0 0 373.434 3.585 40 5 FHBBRN CCCSc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000007321802 204295103 /nfs/dbraw/zinc/29/51/03/204295103.db2.gz NWYADESYHCWHAS-UHFFFAOYSA-N 0 0 358.832 3.854 40 5 FHBBRN COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br ZINC000006846958 204276003 /nfs/dbraw/zinc/27/60/03/204276003.db2.gz RVZIYUAJOJTFIA-UHFFFAOYSA-N 0 0 351.156 3.618 40 5 FHBBRN CC(C)Sc1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000008792924 204346410 /nfs/dbraw/zinc/34/64/10/204346410.db2.gz GUUIHLUVIPAQIU-UHFFFAOYSA-N 0 0 358.832 3.853 40 5 FHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000044332680 205107960 /nfs/dbraw/zinc/10/79/60/205107960.db2.gz AZTBAZCOZOFOJS-UHFFFAOYSA-N 0 0 356.769 3.995 40 5 FHBBRN COc1cc(OCC(=O)Nc2cccc3ccccc32)ccc1[N+](=O)[O-] ZINC000066013059 205363400 /nfs/dbraw/zinc/36/34/00/205363400.db2.gz OBULIEBHLHSISG-UHFFFAOYSA-N 0 0 352.346 3.774 40 5 FHBBRN CC(C)(C)OC(=O)N1CCC(CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000067800509 205392415 /nfs/dbraw/zinc/39/24/15/205392415.db2.gz NLQQAVGCJJELLO-UHFFFAOYSA-N 0 0 353.394 3.793 40 5 FHBBRN Cc1cs/c(=N\c2ccccc2)n1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000100840984 205950324 /nfs/dbraw/zinc/95/03/24/205950324.db2.gz HRUVCIFYTWUDAJ-JLMFCZBYSA-N 0 0 355.419 3.732 40 5 FHBBRN O=[N+]([O-])c1ccc(CNc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000037509449 206035939 /nfs/dbraw/zinc/03/59/39/206035939.db2.gz COPYVOBAXDKEFF-UHFFFAOYSA-N 0 0 352.144 3.878 40 5 FHBBRN Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000004904708 206185413 /nfs/dbraw/zinc/18/54/13/206185413.db2.gz VYAYXXWNMXUSRO-UHFFFAOYSA-N 0 0 370.390 3.684 40 5 FHBBRN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000006755362 206243620 /nfs/dbraw/zinc/24/36/20/206243620.db2.gz VSUWXWMFDSTRSH-UHFFFAOYSA-N 0 0 351.362 3.618 40 5 FHBBRN COC(=O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000008092232 206246107 /nfs/dbraw/zinc/24/61/07/206246107.db2.gz NGYLFNXOYZYVAR-UHFFFAOYSA-N 0 0 369.160 3.941 40 5 FHBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Cl)c1OC ZINC000008266625 206246249 /nfs/dbraw/zinc/24/62/49/206246249.db2.gz WLDQBNDXUZGVQO-UHFFFAOYSA-N 0 0 350.758 3.826 40 5 FHBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccccc1[N+](=O)[O-] ZINC000006336386 206242548 /nfs/dbraw/zinc/24/25/48/206242548.db2.gz VLCVNPVOHQZYBU-UHFFFAOYSA-N 0 0 370.346 3.879 40 5 FHBBRN CC(C)Oc1ccc(CNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000216240979 206355695 /nfs/dbraw/zinc/35/56/95/206355695.db2.gz PQGVTDYBBORWEU-UHFFFAOYSA-N 0 0 374.462 3.932 40 5 FHBBRN CC[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000217943622 206366866 /nfs/dbraw/zinc/36/68/66/206366866.db2.gz HEVMVGWJMNDFEO-OAHLLOKOSA-N 0 0 358.394 3.802 40 5 FHBBRN COc1cc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000219826624 206391079 /nfs/dbraw/zinc/39/10/79/206391079.db2.gz WUSAOWLPEXEXIM-KRWDZBQOSA-N 0 0 372.421 3.886 40 5 FHBBRN CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000223060469 206431049 /nfs/dbraw/zinc/43/10/49/206431049.db2.gz WIQLLJXPYOBTDS-IBGZPJMESA-N 0 0 374.462 3.903 40 5 FHBBRN COc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225059914 206467864 /nfs/dbraw/zinc/46/78/64/206467864.db2.gz BLBVFOTUUPHAQA-UHFFFAOYSA-N 0 0 372.402 3.582 40 5 FHBBRN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N1CCc2ccccc21 ZINC000003325753 263328813 /nfs/dbraw/zinc/32/88/13/263328813.db2.gz TULDVBAVIVLSNK-UHFFFAOYSA-N 0 0 371.443 3.886 40 5 FHBBRN Cc1c(NC(=O)CN2c3cccc4cccc(c34)C2=O)cccc1[N+](=O)[O-] ZINC000008331019 263354286 /nfs/dbraw/zinc/35/42/86/263354286.db2.gz CQODQFAXNFJWPT-UHFFFAOYSA-N 0 0 361.357 3.655 40 5 FHBBRN COc1c(F)c(F)c(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(F)c1F ZINC000009141706 263360130 /nfs/dbraw/zinc/36/01/30/263360130.db2.gz PJQRHOAFLSRAQD-UHFFFAOYSA-N 0 0 358.247 3.721 40 5 FHBBRN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O 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3.986 40 5 FHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020145201 571328046 /nfs/dbraw/zinc/32/80/46/571328046.db2.gz LGCCVROVZNXOPK-JXMROGBWSA-N 0 0 364.357 3.999 40 5 FHBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCCC2=O)cc1 ZINC000020450221 571329549 /nfs/dbraw/zinc/32/95/49/571329549.db2.gz GMACJOOUSGNKMU-UHFFFAOYSA-N 0 0 373.796 3.623 40 5 FHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1C ZINC000022521514 571336941 /nfs/dbraw/zinc/33/69/41/571336941.db2.gz UHADHJZYLYIGIN-AWEZNQCLSA-N 0 0 358.394 3.935 40 5 FHBBRN COc1cc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000225798774 571338381 /nfs/dbraw/zinc/33/83/81/571338381.db2.gz DJHIPKCPNNUHAC-UHFFFAOYSA-N 0 0 370.814 3.674 40 5 FHBBRN COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cn1 ZINC000225865665 571338846 /nfs/dbraw/zinc/33/88/46/571338846.db2.gz BRRBCJMXKXXTRW-UHFFFAOYSA-N 0 0 355.394 3.839 40 5 FHBBRN CCCN(CCC)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O ZINC000059422878 571357158 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CC(C)(C)OC(=O)N1CCC(CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000067800602 205392945 /nfs/dbraw/zinc/39/29/45/205392945.db2.gz ZYOSFVTVXVVDBP-UHFFFAOYSA-N 0 0 353.394 3.793 40 5 FHBBRN Cc1csc(=Nc2ccccc2)n1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000003257689 206159554 /nfs/dbraw/zinc/15/95/54/206159554.db2.gz HRUVCIFYTWUDAJ-QGZVFWFLSA-O 0 0 356.427 3.729 40 5 FHBBRN O=[N+]([O-])c1ccc(C2=NNC(c3cccnc3)=Nc3ccc(F)cc32)cc1 ZINC000005522281 206196294 /nfs/dbraw/zinc/19/62/94/206196294.db2.gz KSIJHNVXMAJTFE-UHFFFAOYSA-N 0 0 361.336 3.563 40 5 FHBBRN O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cccc(Br)c1 ZINC000001504946 206226220 /nfs/dbraw/zinc/22/62/20/206226220.db2.gz JALVMXNGHHZQQP-ZSOIEALJSA-N 0 0 373.162 3.702 40 5 FHBBRN CCOC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2 ZINC000001946572 206228870 /nfs/dbraw/zinc/22/88/70/206228870.db2.gz JSOBVORBWRWUGG-UHFFFAOYSA-N 0 0 374.418 3.882 40 5 FHBBRN Cc1cc(C)nc(Nc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)n1 ZINC000170580261 206269453 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364.423 3.597 40 5 FHBBRN CCCc1ccc2c(N)c(C(=O)Nc3ccc([N+](=O)[O-])cc3)sc2n1 ZINC000261526927 206630711 /nfs/dbraw/zinc/63/07/11/206630711.db2.gz QMCMDHWBYRSOIH-UHFFFAOYSA-N 0 0 356.407 3.992 40 5 FHBBRN O=C(NCCCN1CCCc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl ZINC000218122773 132272874 /nfs/dbraw/zinc/27/28/74/132272874.db2.gz BRWIWBRFELLMNJ-UHFFFAOYSA-N 0 0 373.840 3.821 40 5 FHBBRN Cc1noc(/C=C/c2c(C)nn(-c3cccc([N+](=O)[O-])c3)c2C)c1[N+](=O)[O-] ZINC000408998894 263515555 /nfs/dbraw/zinc/51/55/55/263515555.db2.gz JHPOOIWEVWYIOU-BQYQJAHWSA-N 0 0 369.337 3.772 40 5 FHBBRN O=C(/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1)Nc1cccc(F)c1 ZINC000408527791 570565903 /nfs/dbraw/zinc/56/59/03/570565903.db2.gz CPSLLOIRJVBIRC-BQYQJAHWSA-N 0 0 364.336 3.843 40 5 FHBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OC ZINC000408543174 570567550 /nfs/dbraw/zinc/56/75/50/570567550.db2.gz MYYXLYFGQUHEEW-PLNGDYQASA-N 0 0 369.171 3.841 40 5 FHBBRN COc1ccccc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccccc1 ZINC000408573120 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FHBBRN COc1c(/C=C2/SC(=O)N(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000408900926 570696000 /nfs/dbraw/zinc/69/60/00/570696000.db2.gz ADBNLEFYONWXJT-GXDHUFHOSA-N 0 0 356.359 3.844 40 5 FHBBRN NC(=O)/C=C\c1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2s1 ZINC000409021959 570713956 /nfs/dbraw/zinc/71/39/56/570713956.db2.gz GJFHKLQKQFZGTF-YVMONPNESA-N 0 0 357.416 3.854 40 5 FHBBRN COCCN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000409143293 570732396 /nfs/dbraw/zinc/73/23/96/570732396.db2.gz LMYAJOCDNVDGRC-XNTDXEJSSA-N 0 0 374.374 3.538 40 5 FHBBRN O=C(Cc1ccccc1[N+](=O)[O-])NCCSCc1cccc(Cl)c1 ZINC000409166466 570734644 /nfs/dbraw/zinc/73/46/44/570734644.db2.gz GBZIMNDWMJUQIF-UHFFFAOYSA-N 0 0 364.854 3.840 40 5 FHBBRN O=Cc1ccc(OCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 ZINC000409412483 570758816 /nfs/dbraw/zinc/75/88/16/570758816.db2.gz OOOIYTWTAXQOQD-UHFFFAOYSA-N 0 0 369.160 3.732 40 5 FHBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccc([N+](=O)[O-])c3)N21 ZINC000260781082 571123128 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O=[N+]([O-])c1ccc(Oc2ccc(CO)cc2Br)c([N+](=O)[O-])c1 ZINC000409111753 570581951 /nfs/dbraw/zinc/58/19/51/570581951.db2.gz COCDMGFPJQTFCH-UHFFFAOYSA-N 0 0 369.127 3.550 40 5 FHBBRN COc1ccccc1-c1nnc(SC(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000408619870 570586576 /nfs/dbraw/zinc/58/65/76/570586576.db2.gz IDQBQVFKWVNULX-UHFFFAOYSA-N 0 0 357.347 3.586 40 5 FHBBRN COC(=O)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@@H]21 ZINC000409189662 570739388 /nfs/dbraw/zinc/73/93/88/570739388.db2.gz MLWUODXGBVCLMV-HFTRVMKXSA-N 0 0 354.362 3.626 40 5 FHBBRN Cc1ccc(CN2C(=O)N/C(=C/C=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000409235431 570744988 /nfs/dbraw/zinc/74/49/88/570744988.db2.gz PVJVNLZALUENDF-BHAVQNJHSA-N 0 0 363.373 3.552 40 5 FHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccccc1F ZINC000222701565 571146250 /nfs/dbraw/zinc/14/62/50/571146250.db2.gz OQPFRTRZKKWPIT-UHFFFAOYSA-N 0 0 350.371 3.614 40 5 FHBBRN CCCCCC(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017073055 571274843 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CC(C)n1c(=O)sc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000225129856 571294681 /nfs/dbraw/zinc/29/46/81/571294681.db2.gz QUSVNKUBIJZOPE-UHFFFAOYSA-N 0 0 357.391 3.804 40 5 FHBBRN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1Cl ZINC000003506667 571294766 /nfs/dbraw/zinc/29/47/66/571294766.db2.gz DBDQNLIHHBWVES-UHFFFAOYSA-N 0 0 369.160 3.697 40 5 FHBBRN Cc1cccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)c1 ZINC000006207242 571295335 /nfs/dbraw/zinc/29/53/35/571295335.db2.gz UIHKMDSDWNYPQK-UHFFFAOYSA-N 0 0 370.434 3.903 40 5 FHBBRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000020241928 571304992 /nfs/dbraw/zinc/30/49/92/571304992.db2.gz UGMSDPMSPVXBQX-UHFFFAOYSA-N 0 0 373.796 3.737 40 5 FHBBRN O=C1NC(=O)C(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 ZINC000012428589 571322414 /nfs/dbraw/zinc/32/24/14/571322414.db2.gz UTBITCARMYVFAD-SDQBBNPISA-N 0 0 350.739 3.832 40 5 FHBBRN CCCCOC(=O)c1cc(Cl)c(Sc2nnc(C)[nH]2)c([N+](=O)[O-])c1 ZINC000070462509 571323165 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O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000014206895 204575329 /nfs/dbraw/zinc/57/53/29/204575329.db2.gz PFKSOQMFPRMDGS-UHFFFAOYSA-N 0 0 355.325 3.960 40 5 FHBBRN O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016968946 204645194 /nfs/dbraw/zinc/64/51/94/204645194.db2.gz BRETXCLLBQNWAT-UHFFFAOYSA-N 0 0 374.824 3.726 40 5 FHBBRN O=C(CN(c1ccccc1)C1=NCCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000028527351 204884363 /nfs/dbraw/zinc/88/43/63/204884363.db2.gz NYDXIUVZMXCUGB-UHFFFAOYSA-N 0 0 355.419 3.777 40 5 FHBBRN CC(C)CCn1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O ZINC000040398746 205069361 /nfs/dbraw/zinc/06/93/61/205069361.db2.gz KWFZWSHNYWESEF-UHFFFAOYSA-N 0 0 373.456 3.806 40 5 FHBBRN CN(Cc1cccc2ccccc21)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000056100768 205228590 /nfs/dbraw/zinc/22/85/90/205228590.db2.gz BTRJQALNEVAVFK-UHFFFAOYSA-N 0 0 356.403 3.569 40 5 FHBBRN CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000059372616 205281685 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263373243 /nfs/dbraw/zinc/37/32/43/263373243.db2.gz GPGVWBJJUWFEFZ-MDZDMXLPSA-N 0 0 352.375 3.765 40 5 FHBBRN O=C(NC1CC1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408975096 263513201 /nfs/dbraw/zinc/51/32/01/263513201.db2.gz KAJDHGYWXVKTGI-UHFFFAOYSA-N 0 0 365.396 3.772 40 5 FHBBRN COc1ccccc1OCCNC(=O)Sc1ccc(C)cc1[N+](=O)[O-] ZINC000019894531 524677396 /nfs/dbraw/zinc/67/73/96/524677396.db2.gz YNNUIWLRPYBJOR-UHFFFAOYSA-N 0 0 362.407 3.793 40 5 FHBBRN O=C(Nc1cccnc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000057312821 568292271 /nfs/dbraw/zinc/29/22/71/568292271.db2.gz UAUHDPDCLVMUIX-UHFFFAOYSA-N 0 0 360.801 3.886 40 5 FHBBRN Cc1cccc(N2C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2=O)c1C ZINC000014287501 570523432 /nfs/dbraw/zinc/52/34/32/570523432.db2.gz RRJXSADVKVXFEC-OAHLLOKOSA-N 0 0 367.405 3.512 40 5 FHBBRN Cc1ccc(C)c(NC(=O)CCC(=O)OCc2ccccc2[N+](=O)[O-])c1 ZINC000006426319 570558645 /nfs/dbraw/zinc/55/86/45/570558645.db2.gz WCUQVLCHKPEUDV-UHFFFAOYSA-N 0 0 356.378 3.674 40 5 FHBBRN COc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000408553742 570567769 /nfs/dbraw/zinc/56/77/69/570567769.db2.gz BOWQNBRYBKGDLX-UHFFFAOYSA-N 0 0 352.799 3.988 40 5 FHBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)C=Cc1ccco1 ZINC000408629094 570570757 /nfs/dbraw/zinc/57/07/57/570570757.db2.gz ZDSQDZQXTVIFRS-SNAWJCMRSA-N 0 0 365.798 3.676 40 5 FHBBRN CC[C@H]1C(=O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000033926746 570633349 /nfs/dbraw/zinc/63/33/49/570633349.db2.gz HWXXVUJFLTWVEW-JENIJYKNSA-N 0 0 369.377 3.874 40 5 FHBBRN COc1cccc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3OCC[C@@H]32)c1OC ZINC000409191055 570737648 /nfs/dbraw/zinc/73/76/48/570737648.db2.gz ZDUKTSJPRPEJER-JEBQAFNWSA-N 0 0 356.378 3.856 40 5 FHBBRN CCCCC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1OC ZINC000014258422 570846475 /nfs/dbraw/zinc/84/64/75/570846475.db2.gz LFBYLSIRQVNRIX-UHFFFAOYSA-N 0 0 361.354 3.577 40 5 FHBBRN O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)Cc2ccc(Cl)cc2)c1 ZINC000014291520 570847858 /nfs/dbraw/zinc/84/78/58/570847858.db2.gz ULMPDJVCGNVWCN-UHFFFAOYSA-N 0 0 361.206 3.844 40 5 FHBBRN COc1ccc(Nc2cc(Cl)nc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000328966231 571105369 /nfs/dbraw/zinc/10/53/69/571105369.db2.gz CJMSRLYJBSHKRF-UHFFFAOYSA-N 0 0 356.769 3.879 40 5 FHBBRN COc1cc(OCC(=O)Nc2ccc(C)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000022259294 571201038 /nfs/dbraw/zinc/20/10/38/571201038.db2.gz MTVSLNOILIFXNQ-UHFFFAOYSA-N 0 0 350.758 3.583 40 5 FHBBRN COC(=O)c1ccc(Oc2ccc(Br)cc2[N+](=O)[O-])cc1 ZINC000007466451 571265863 /nfs/dbraw/zinc/26/58/63/571265863.db2.gz CYXRFAIHXZSKSD-UHFFFAOYSA-N 0 0 352.140 3.936 40 5 FHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)OC/C=C\c1ccc2c(c1)OCO2 ZINC000017353355 571281668 /nfs/dbraw/zinc/28/16/68/571281668.db2.gz TXSLLNQLYISMSI-OPFOWNOESA-N 0 0 353.330 3.593 40 5 FHBBRN O=C1S/C(=C/c2cccc(O)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214899404 571283299 /nfs/dbraw/zinc/28/32/99/571283299.db2.gz VDHGKXHJYVOKJP-OQLLNIDSSA-N 0 0 356.359 3.537 40 5 FHBBRN Cc1ccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000006845622 571297211 /nfs/dbraw/zinc/29/72/11/571297211.db2.gz OQYKUFCQLCSUNH-UHFFFAOYSA-N 0 0 370.434 3.903 40 5 FHBBRN O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000008286188 571300780 /nfs/dbraw/zinc/30/07/80/571300780.db2.gz MRHOHXYYWDOEDI-UHFFFAOYSA-N 0 0 374.353 3.515 40 5 FHBBRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C(C)(C)C)cc1 ZINC000010275790 571321442 /nfs/dbraw/zinc/32/14/42/571321442.db2.gz FZMCTPNSBPPFSI-ZDUSSCGKSA-N 0 0 362.451 3.932 40 5 FHBBRN CCNc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000328994412 571326548 /nfs/dbraw/zinc/32/65/48/571326548.db2.gz JDESJXFSAZPLSN-UHFFFAOYSA-N 0 0 369.812 3.724 40 5 FHBBRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(Cl)nc(-c2ccncc2)n1 ZINC000329009709 571326596 /nfs/dbraw/zinc/32/65/96/571326596.db2.gz LXKQXQPJPWFYIX-UHFFFAOYSA-N 0 0 362.176 3.919 40 5 FHBBRN CC[C@H](C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(C2CC2)n1 ZINC000329060170 571326630 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Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cccc1[N+](=O)[O-] ZINC000030057774 571344931 /nfs/dbraw/zinc/34/49/31/571344931.db2.gz LGTBHBCLVXDFDU-LBPRGKRZSA-N 0 0 373.796 3.548 40 5 FHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2)o1 ZINC000008234102 571359955 /nfs/dbraw/zinc/35/99/55/571359955.db2.gz WUKAVRUIGRDRQL-UHFFFAOYSA-N 0 0 370.390 3.684 40 5 FHBBRN O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1CCOc1ccccc1 ZINC000106757474 945393326 /nfs/dbraw/zinc/39/33/26/945393326.db2.gz ACYUJXVAWJJPOU-VBKFSLOCSA-N 0 0 370.386 3.710 40 5 FHBBRN O=c1c2ccc([N+](=O)[O-])cc2n(-c2ccccc2)c2cc([N+](=O)[O-])ccc12 ZINC000003843471 204111768 /nfs/dbraw/zinc/11/17/68/204111768.db2.gz DAHAKJUKLHWQMJ-UHFFFAOYSA-N 0 0 361.313 3.960 40 5 FHBBRN Cc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc42)CC3)cc1[N+](=O)[O-] ZINC000005579361 204215974 /nfs/dbraw/zinc/21/59/74/204215974.db2.gz CXOKQAXPYACDCK-UHFFFAOYSA-N 0 0 368.414 3.956 40 5 FHBBRN CCOc1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1[N+](=O)[O-] ZINC000005672163 204220481 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/nfs/dbraw/zinc/23/38/71/206233871.db2.gz XQIOGWROMZWYEL-ZSOIEALJSA-N 0 0 358.737 3.601 40 5 FHBBRN Cc1ccc2[nH]c(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])nc2c1 ZINC000004486023 206238736 /nfs/dbraw/zinc/23/87/36/206238736.db2.gz QPHMANSPDNZZOC-UHFFFAOYSA-N 0 0 356.407 3.819 40 5 FHBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccs1 ZINC000014257736 206309797 /nfs/dbraw/zinc/30/97/97/206309797.db2.gz KKHBGQVTOOGTNO-UHFFFAOYSA-N 0 0 355.828 3.745 40 5 FHBBRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(C)C)cc2)cc1[N+](=O)[O-] ZINC000192257301 206327925 /nfs/dbraw/zinc/32/79/25/206327925.db2.gz AXOIAQWWFNHLSU-UHFFFAOYSA-N 0 0 364.423 3.516 40 5 FHBBRN COc1ccccc1[C@H](C)NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000193156608 206328563 /nfs/dbraw/zinc/32/85/63/206328563.db2.gz JAAJGSLRYGFZQC-ZDUSSCGKSA-N 0 0 360.435 3.714 40 5 FHBBRN COc1ccc2nc3c(cc2c1[N+](=O)[O-])CN(Cc1ccccc1)CCO3 ZINC000057718741 206389168 /nfs/dbraw/zinc/38/91/68/206389168.db2.gz OXQWDQONGCOPFV-UHFFFAOYSA-N 0 0 365.389 3.546 40 5 FHBBRN CCc1ccc(CC)c(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000223365136 206439218 /nfs/dbraw/zinc/43/92/18/206439218.db2.gz INIGBNYIBLVFLU-UHFFFAOYSA-N 0 0 362.451 3.507 40 5 FHBBRN Brc1cccc(-c2n[nH]c3nc4nc5ccccc5c-4nn32)c1 ZINC000261365134 206631439 /nfs/dbraw/zinc/63/14/39/206631439.db2.gz QFKLCRCNBAMCRO-UHFFFAOYSA-N 0 0 365.194 3.583 40 5 FHBBRN CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1 ZINC000010446155 263365798 /nfs/dbraw/zinc/36/57/98/263365798.db2.gz MJHGCZVUTYKLTL-UHFFFAOYSA-N 0 0 362.769 3.986 40 5 FHBBRN Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000103718929 263444108 /nfs/dbraw/zinc/44/41/08/263444108.db2.gz UYSCUYCPBMKBEH-GFCCVEGCSA-N 0 0 373.796 3.548 40 5 FHBBRN Cn1c2c(s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1)CCc1ccccc1-2 ZINC000409194820 263540178 /nfs/dbraw/zinc/54/01/78/263540178.db2.gz NAKJIEDEIJBRCA-VXPUYCOJSA-N 0 0 365.414 3.502 40 5 FHBBRN CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000218134227 521446854 /nfs/dbraw/zinc/44/68/54/521446854.db2.gz DJIAFVMDFHHAHF-UHFFFAOYSA-N 0 0 372.406 3.677 40 5 FHBBRN CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1 ZINC000217877543 522794967 /nfs/dbraw/zinc/79/49/67/522794967.db2.gz GQPAHLKDIDPORI-OAHLLOKOSA-N 0 0 358.394 3.802 40 5 FHBBRN COc1ccc(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cc1[N+](=O)[O-] ZINC000020142495 523755424 /nfs/dbraw/zinc/75/54/24/523755424.db2.gz AUFIHJPCJJJRSI-UHFFFAOYSA-N 0 0 368.345 3.608 40 5 FHBBRN COc1ccccc1OCc1nnc(SCc2cccc([N+](=O)[O-])c2)o1 ZINC000019928474 524688595 /nfs/dbraw/zinc/68/85/95/524688595.db2.gz LJPQSLCRMBKLRT-UHFFFAOYSA-N 0 0 373.390 3.858 40 5 FHBBRN Cc1ccc(OC[C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000218051042 525430544 /nfs/dbraw/zinc/43/05/44/525430544.db2.gz RTXWGSCUHYBTAP-OAHLLOKOSA-N 0 0 374.462 3.720 40 5 FHBBRN Cc1c(C(=O)NCc2nc(-c3ccccc3Cl)no2)cccc1[N+](=O)[O-] ZINC000217878154 525631587 /nfs/dbraw/zinc/63/15/87/525631587.db2.gz PUGXXRIOPWEPSK-UHFFFAOYSA-N 0 0 372.768 3.537 40 5 FHBBRN CCc1ccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 ZINC000002468597 536184148 /nfs/dbraw/zinc/18/41/48/536184148.db2.gz FNJWGIFEMNIDCT-LPHOPBHVSA-N 0 0 353.378 3.927 40 5 FHBBRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(Cl)cc1 ZINC000003514369 570547579 /nfs/dbraw/zinc/54/75/79/570547579.db2.gz XMSLKRJVJKPBOT-UHFFFAOYSA-N 0 0 369.160 3.697 40 5 FHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000024068401 570549401 /nfs/dbraw/zinc/54/94/01/570549401.db2.gz RTWQDPMDWWCICZ-LBPRGKRZSA-N 0 0 373.796 3.548 40 5 FHBBRN O=C(Oc1ccc(-c2ccccc2)nn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408529613 570565461 /nfs/dbraw/zinc/56/54/61/570565461.db2.gz MZSYDUHKICZKIK-UHFFFAOYSA-N 0 0 355.737 3.924 40 5 FHBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1 ZINC000408573034 570568977 /nfs/dbraw/zinc/56/89/77/570568977.db2.gz SFSWSXUYDSGTKU-QGZVFWFLSA-N 0 0 370.434 3.694 40 5 FHBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2C(C)=O)nnc1-c1ccncc1 ZINC000408582042 570569418 /nfs/dbraw/zinc/56/94/18/570569418.db2.gz LIZQGSZNGMJZNR-UHFFFAOYSA-N 0 0 369.406 3.622 40 5 FHBBRN COc1cccc(-c2nnc(SC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000007939600 570594879 /nfs/dbraw/zinc/59/48/79/570594879.db2.gz SKKLBCWHCYMCBH-UHFFFAOYSA-N 0 0 371.374 3.515 40 5 FHBBRN Cc1cs/c(=N\c2ccccc2)n1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000100840982 570799427 /nfs/dbraw/zinc/79/94/27/570799427.db2.gz HRUVCIFYTWUDAJ-NSURYPBFSA-N 0 0 355.419 3.732 40 5 FHBBRN CC1CCN(C(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000014003908 570843230 /nfs/dbraw/zinc/84/32/30/570843230.db2.gz JTVNYKCCGYXFMO-UHFFFAOYSA-N 0 0 367.405 3.719 40 5 FHBBRN Nc1c(Br)cc2c3ccccc3c(=O)[nH]c2c1Br ZINC000017429291 570873245 /nfs/dbraw/zinc/87/32/45/570873245.db2.gz MECKQNULDJQEFP-UHFFFAOYSA-N 0 0 368.028 3.789 40 5 FHBBRN CCCc1ccc(OCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000223377004 571116058 /nfs/dbraw/zinc/11/60/58/571116058.db2.gz ATHULZLQVHEBDA-FMIVXFBMSA-N 0 0 354.406 3.756 40 5 FHBBRN COc1ccc([N+](=O)[O-])cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 ZINC000222571726 571143986 /nfs/dbraw/zinc/14/39/86/571143986.db2.gz QIZGCOGQPMWKIZ-YMRXKLBXSA-N 0 0 370.434 3.588 40 5 FHBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSC1CCCC1 ZINC000223591238 571160341 /nfs/dbraw/zinc/16/03/41/571160341.db2.gz LZSZXXQOWRRGAJ-UHFFFAOYSA-N 0 0 354.497 3.620 40 5 FHBBRN Cc1ccc(C)c(OCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 ZINC000223979005 571166341 /nfs/dbraw/zinc/16/63/41/571166341.db2.gz RMTNWXDQMDGSJB-UHFFFAOYSA-N 0 0 374.462 3.640 40 5 FHBBRN COC(=O)[C@@H](C)Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000006624614 571204848 /nfs/dbraw/zinc/20/48/48/571204848.db2.gz AVAYXQPWOQSENY-GFCCVEGCSA-N 0 0 372.380 3.532 40 5 biogenic FHBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc3c4c(cccc42)CC3)c1 ZINC000224483267 571205956 /nfs/dbraw/zinc/20/59/56/571205956.db2.gz AVNMXNNLBQIFJT-UHFFFAOYSA-N 0 0 368.414 3.789 40 5 FHBBRN CCOC(=O)c1c(C)nn(-c2ccccc2)c1-c1ccccc1[N+](=O)[O-] ZINC000016683062 571212328 /nfs/dbraw/zinc/21/23/28/571212328.db2.gz XKYCILRPDDOUKB-UHFFFAOYSA-N 0 0 351.362 3.933 40 5 FHBBRN Cc1cc(C)cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000017074835 571274839 /nfs/dbraw/zinc/27/48/39/571274839.db2.gz GQNBZSPVUJXFJI-UHFFFAOYSA-N 0 0 363.826 3.992 40 5 FHBBRN CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225009933 571293245 /nfs/dbraw/zinc/29/32/45/571293245.db2.gz OCPKMZHNQSFYFR-UHFFFAOYSA-N 0 0 374.340 3.829 40 5 FHBBRN CCN(c1cccc(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225072532 571293681 /nfs/dbraw/zinc/29/36/81/571293681.db2.gz JOVCHYPGWOJBLV-UHFFFAOYSA-N 0 0 354.815 3.772 40 5 FHBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000006252927 571295634 /nfs/dbraw/zinc/29/56/34/571295634.db2.gz NXUVSIFYEHDLFK-UHFFFAOYSA-N 0 0 373.372 3.640 40 5 FHBBRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc([N+](=O)[O-])o1 ZINC000020139753 571328052 /nfs/dbraw/zinc/32/80/52/571328052.db2.gz BPLPBKFFJWECTA-UHFFFAOYSA-N 0 0 362.725 3.846 40 5 FHBBRN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1[N+](=O)[O-] ZINC000020492970 571329834 /nfs/dbraw/zinc/32/98/34/571329834.db2.gz LMLKTHHUORQHDV-KRWDZBQOSA-N 0 0 362.451 3.969 40 5 FHBBRN O=C1S/C(=C/c2ccccc2F)C(=O)N1CNc1cccc([N+](=O)[O-])c1 ZINC000001436483 204006826 /nfs/dbraw/zinc/00/68/26/204006826.db2.gz KDHMNBBUBBGXND-OVCLIPMQSA-N 0 0 373.365 3.840 40 5 FHBBRN COc1ccc2[nH]c3cc4c(cc3c(=O)c2c1)[nH]c1ccc(OC)cc1c4=O ZINC000003954536 204116735 /nfs/dbraw/zinc/11/67/35/204116735.db2.gz WKLOSXKZASUWLB-UHFFFAOYSA-N 0 0 372.380 3.693 40 5 in-vitro FHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCOc1cccc2ccccc21 ZINC000005876476 204228452 /nfs/dbraw/zinc/22/84/52/204228452.db2.gz CRSIVZZVOCLSHZ-VAWYXSNFSA-N 0 0 362.385 3.956 40 5 FHBBRN Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 ZINC000007319237 204295227 /nfs/dbraw/zinc/29/52/27/204295227.db2.gz FTTJHCNIOLASHA-UHFFFAOYSA-N 0 0 354.391 3.982 40 5 FHBBRN COc1cc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000022259429 204773819 /nfs/dbraw/zinc/77/38/19/204773819.db2.gz DXZCAWPEELBSNZ-UHFFFAOYSA-N 0 0 371.176 3.928 40 5 FHBBRN COc1ccc(OCc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000040169683 205061125 /nfs/dbraw/zinc/06/11/25/205061125.db2.gz SHASFIRTYAYDLW-UHFFFAOYSA-N 0 0 360.757 3.621 40 5 FHBBRN CCCSc1nnc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000040970516 205085961 /nfs/dbraw/zinc/08/59/61/205085961.db2.gz DQYRTGDPPRGBOA-VOTSOKGWSA-N 0 0 350.425 3.600 40 5 FHBBRN CCCSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000040968453 205086371 /nfs/dbraw/zinc/08/63/71/205086371.db2.gz GGBDDQOATRQZNF-UHFFFAOYSA-N 0 0 358.832 3.854 40 5 FHBBRN COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000044843524 206074026 /nfs/dbraw/zinc/07/40/26/206074026.db2.gz TUDGAUSTNPWVAD-SNVBAGLBSA-N 0 0 364.785 3.756 40 5 FHBBRN COc1ccc(-c2nnc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 ZINC000136336183 206130214 /nfs/dbraw/zinc/13/02/14/206130214.db2.gz WCRJLTCNIKBBMA-UHFFFAOYSA-N 0 0 370.390 3.683 40 5 FHBBRN Cc1cc([N+](=O)[O-])ccc1NCCNC(=O)c1ccc(OC(C)C)cc1 ZINC000007375550 206208778 /nfs/dbraw/zinc/20/87/78/206208778.db2.gz REKWPXBZFBCPHF-UHFFFAOYSA-N 0 0 357.410 3.532 40 5 FHBBRN O=C1OC(c2cccc(Br)c2)=N/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000001511205 206226209 /nfs/dbraw/zinc/22/62/09/206226209.db2.gz TUASATDQPGSKJP-RIYZIHGNSA-N 0 0 373.162 3.702 40 5 FHBBRN Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1C ZINC000007882416 206246295 /nfs/dbraw/zinc/24/62/95/206246295.db2.gz PAIRHNJICLTCFW-HNNXBMFYSA-N 0 0 367.405 3.512 40 5 FHBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccc(C)cc3)nc21 ZINC000010010651 206248527 /nfs/dbraw/zinc/24/85/27/206248527.db2.gz TTXOYLGSFHEZGC-UHFFFAOYSA-N 0 0 373.390 3.539 40 5 FHBBRN CCSc1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000216390727 206358213 /nfs/dbraw/zinc/35/82/13/206358213.db2.gz RQTMJSFRXGQBQN-UHFFFAOYSA-N 0 0 352.437 3.816 40 5 FHBBRN CCOc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000223252856 206436682 /nfs/dbraw/zinc/43/66/82/206436682.db2.gz BBDLIYZKCKOTOS-UHFFFAOYSA-N 0 0 370.814 3.756 40 5 FHBBRN O=[N+]([O-])c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)nc1 ZINC000223980764 206452442 /nfs/dbraw/zinc/45/24/42/206452442.db2.gz SAPGBXFKQOSBLS-UHFFFAOYSA-N 0 0 374.441 3.927 40 5 FHBBRN CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224756645 206464531 /nfs/dbraw/zinc/46/45/31/206464531.db2.gz IYNGDQVGIWJWID-UHFFFAOYSA-N 0 0 374.340 3.829 40 5 FHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(c2ccc(C)cc2)CC1 ZINC000219855749 132275050 /nfs/dbraw/zinc/27/50/50/132275050.db2.gz RDUJPIYBHCPZTH-UHFFFAOYSA-N 0 0 369.421 3.767 40 5 FHBBRN COc1ccc(NC(=O)COc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000009141568 263360021 /nfs/dbraw/zinc/36/00/21/263360021.db2.gz DNTXYRKLUQWPOS-UHFFFAOYSA-N 0 0 352.346 3.774 40 5 FHBBRN O=C(NC(=S)Nc1cccc2c(O)cccc12)c1cccc([N+](=O)[O-])c1 ZINC000017075405 263372195 /nfs/dbraw/zinc/37/21/95/263372195.db2.gz HSQGIJSOGMOPIO-UHFFFAOYSA-N 0 0 367.386 3.580 40 5 FHBBRN CCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408585491 263475757 /nfs/dbraw/zinc/47/57/57/263475757.db2.gz FYHANINSZXZUCD-UHFFFAOYSA-N 0 0 363.753 3.687 40 5 FHBBRN CN1C(=O)S/C(=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000408820304 263498600 /nfs/dbraw/zinc/49/86/00/263498600.db2.gz VIUGYBMKKKNQBC-YBEGLDIGSA-N 0 0 370.386 3.840 40 5 FHBBRN COc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000020491754 525100964 /nfs/dbraw/zinc/10/09/64/525100964.db2.gz FHLRSVSEHOIEIO-UHFFFAOYSA-N 0 0 362.407 3.651 40 5 FHBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCN1CCCc2ccccc21 ZINC000217892810 527628447 /nfs/dbraw/zinc/62/84/47/527628447.db2.gz XDOFZHFGMOYEQA-VAWYXSNFSA-N 0 0 365.433 3.567 40 5 FHBBRN Cc1noc(/C=C/c2ccc(Br)c([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000408543171 570526636 /nfs/dbraw/zinc/52/66/36/570526636.db2.gz MYNKDVPVHASMPT-HWKANZROSA-N 0 0 354.116 3.732 40 5 FHBBRN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1 ZINC000003506576 570547737 /nfs/dbraw/zinc/54/77/37/570547737.db2.gz OFLHOFBRFIKFFD-UHFFFAOYSA-N 0 0 369.160 3.697 40 5 FHBBRN CCOc1cc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)ccc1OC ZINC000408604846 570569921 /nfs/dbraw/zinc/56/99/21/570569921.db2.gz IPVNHIYCQWHLQH-UXBLZVDNSA-N 0 0 356.378 3.962 40 5 FHBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c(C)c1 ZINC000408647780 570571371 /nfs/dbraw/zinc/57/13/71/570571371.db2.gz XLAATYNLHMOYRF-HNNXBMFYSA-N 0 0 367.405 3.512 40 5 FHBBRN O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1CCc1ccccc1 ZINC000409202337 570584227 /nfs/dbraw/zinc/58/42/27/570584227.db2.gz RTKIRGHCMGBPRL-FOWTUZBSSA-N 0 0 354.387 3.874 40 5 FHBBRN Cc1ccc(CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 ZINC000409239261 570585633 /nfs/dbraw/zinc/58/56/33/570585633.db2.gz MITDHXLKKBESPI-CXUHLZMHSA-N 0 0 371.780 3.650 40 5 FHBBRN C[C@H]1C(=O)[C@@H](C)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000229861184 570645035 /nfs/dbraw/zinc/64/50/35/570645035.db2.gz IVZWWWWEWLNVOI-KZBLUPIWSA-N 0 0 369.377 3.730 40 5 FHBBRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408714764 570668391 /nfs/dbraw/zinc/66/83/91/570668391.db2.gz WMMLYKIFXZPSMQ-UHFFFAOYSA-N 0 0 372.768 3.570 40 5 FHBBRN CN(C)C(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408974763 570705823 /nfs/dbraw/zinc/70/58/23/570705823.db2.gz DOQICAVYJOYLMH-UHFFFAOYSA-N 0 0 353.385 3.581 40 5 FHBBRN O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCOCC1 ZINC000408993049 570709457 /nfs/dbraw/zinc/70/94/57/570709457.db2.gz BQFFPCLSICPQTQ-UHFFFAOYSA-N 0 0 364.430 3.862 40 5 FHBBRN Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)CC(c1ccc([N+](=O)[O-])cc1)=N2 ZINC000101418961 570820011 /nfs/dbraw/zinc/82/00/11/570820011.db2.gz YNBLPDHMCUNRTA-KRWDZBQOSA-N 0 0 369.331 3.829 40 5 FHBBRN O=[N+]([O-])c1ccc(NCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000039956410 570837021 /nfs/dbraw/zinc/83/70/21/570837021.db2.gz PMRDUYBDIRZHOK-UHFFFAOYSA-N 0 0 352.144 3.878 40 5 FHBBRN O=C(Nc1cc([N+](=O)[O-])cc2c3ccccc3c(=O)[nH]c12)C(F)(F)F 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350.758 3.908 40 5 FHBBRN O=C(NCc1ccccn1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408906004 263506400 /nfs/dbraw/zinc/50/64/00/263506400.db2.gz BZBGINNPKMIQFW-XSFVSMFZSA-N 0 0 359.385 3.847 40 5 FHBBRN COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020496211 524200049 /nfs/dbraw/zinc/20/00/49/524200049.db2.gz VQULSZSYGPCWOZ-UHFFFAOYSA-N 0 0 374.740 3.559 40 5 FHBBRN COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1-c1ccc(CO)o1 ZINC000020140814 524646598 /nfs/dbraw/zinc/64/65/98/524646598.db2.gz PZKWGJFFBLFXRP-UHFFFAOYSA-N 0 0 368.345 3.608 40 5 FHBBRN COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] ZINC000014258178 570522975 /nfs/dbraw/zinc/52/29/75/570522975.db2.gz VZLWDGIUQSLKII-UHFFFAOYSA-N 0 0 358.394 3.918 40 5 FHBBRN CCOc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)[nH]2)cc1OCC ZINC000085385264 570536735 /nfs/dbraw/zinc/53/67/35/570536735.db2.gz IITDISMQRTWMMF-UHFFFAOYSA-N 0 0 354.366 3.844 40 5 FHBBRN Cc1cccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1C ZINC000003514260 570547729 /nfs/dbraw/zinc/54/77/29/570547729.db2.gz FPEZPZFZSYQPNM-UHFFFAOYSA-N 0 0 362.769 3.661 40 5 FHBBRN Cc1cc(C)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000004896572 570549300 /nfs/dbraw/zinc/54/93/00/570549300.db2.gz KUSRVYFKCZMOJL-UHFFFAOYSA-N 0 0 369.421 3.609 40 5 FHBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(F)cc2)n1-c1ccccc1 ZINC000408565603 570568278 /nfs/dbraw/zinc/56/82/78/570568278.db2.gz CMIFYSGZWBZWOM-INIZCTEOSA-N 0 0 358.398 3.825 40 5 FHBBRN CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000408585049 570569348 /nfs/dbraw/zinc/56/93/48/570569348.db2.gz BEVTWOFSRXLXPK-UHFFFAOYSA-N 0 0 370.814 3.756 40 5 FHBBRN CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000408628745 570570108 /nfs/dbraw/zinc/57/01/08/570570108.db2.gz WVPBUAAGEYGNEB-UHFFFAOYSA-N 0 0 363.826 3.937 40 5 FHBBRN CC(C)(C)c1ccc(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408628361 570570730 /nfs/dbraw/zinc/57/07/30/570570730.db2.gz RTIVQDKZYCCSIR-UHFFFAOYSA-N 0 0 372.450 3.524 40 5 FHBBRN Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000007927945 570593547 /nfs/dbraw/zinc/59/35/47/570593547.db2.gz XLIXZROKFXGJFU-GFCCVEGCSA-N 0 0 373.796 3.548 40 5 FHBBRN CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(C)c1-c1ccccc1 ZINC000008080359 570608679 /nfs/dbraw/zinc/60/86/79/570608679.db2.gz XWLGQKXREKXQEE-VXPUYCOJSA-N 0 0 367.430 3.965 40 5 FHBBRN O=[N+]([O-])c1ccc(C2=NNC(c3ccncc3)=Nc3ccc(F)cc32)cc1 ZINC000005522097 570667043 /nfs/dbraw/zinc/66/70/43/570667043.db2.gz YZLOUEHPJYWESN-UHFFFAOYSA-N 0 0 361.336 3.563 40 5 FHBBRN Cc1ccc(N2ON=C(c3cccc([N+](=O)[O-])c3)N3C=C(C)C=C[C@@H]32)nc1 ZINC000005553571 570670959 /nfs/dbraw/zinc/67/09/59/570670959.db2.gz WUBJSSJSWFIZOI-SFHVURJKSA-N 0 0 363.377 3.513 40 5 FHBBRN CCN1C(=O)S/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O ZINC000409313225 570749631 /nfs/dbraw/zinc/74/96/31/570749631.db2.gz NONSBKGJNNSAII-XNTDXEJSSA-N 0 0 357.391 3.501 40 5 FHBBRN CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C)cc1C ZINC000219828507 570904827 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3.932 40 5 FHBBRN C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000013669578 571110493 /nfs/dbraw/zinc/11/04/93/571110493.db2.gz ZMVVGDLDBGJSDK-CYBMUJFWSA-N 0 0 362.451 3.932 40 5 FHBBRN COc1ccccc1N1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O ZINC000001516286 571125235 /nfs/dbraw/zinc/12/52/35/571125235.db2.gz FRPODRJXXREJBG-GDNBJRDFSA-N 0 0 356.359 3.844 40 5 FHBBRN Cc1c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000016014450 571149137 /nfs/dbraw/zinc/14/91/37/571149137.db2.gz IBVBXRDONSQPKY-UHFFFAOYSA-N 0 0 367.405 3.782 40 5 FHBBRN COC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCC2 ZINC000001904952 571199459 /nfs/dbraw/zinc/19/94/59/571199459.db2.gz YMQRAENCVQXLDG-CMDGGOBGSA-N 0 0 372.402 3.584 40 5 FHBBRN COc1cc(OCC(=O)Nc2cc(Cl)ccc2Cl)ccc1[N+](=O)[O-] ZINC000022259425 571201059 /nfs/dbraw/zinc/20/10/59/571201059.db2.gz DBZRPRWIPRWDMC-UHFFFAOYSA-N 0 0 371.176 3.928 40 5 FHBBRN CC(C)CNC(=O)c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O ZINC000006624579 571204840 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C[C@@H](CCc1ccccc1)NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000007093813 571298472 /nfs/dbraw/zinc/29/84/72/571298472.db2.gz AAIRUPPDPUEAAD-HNNXBMFYSA-N 0 0 358.463 3.966 40 5 FHBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000007928462 571299543 /nfs/dbraw/zinc/29/95/43/571299543.db2.gz TWQJRYHTDSDFDX-LBPRGKRZSA-N 0 0 373.796 3.548 40 5 FHBBRN CCc1cccc(CC)c1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000066014205 571321222 /nfs/dbraw/zinc/32/12/22/571321222.db2.gz YGEFCQXPNJVYQH-UHFFFAOYSA-N 0 0 358.394 3.746 40 5 FHBBRN O=[N+]([O-])c1c(Br)cc(N2CCCC2)cc1Br ZINC000066091773 571321249 /nfs/dbraw/zinc/32/12/49/571321249.db2.gz ZDWYFXFMNKAUCH-UHFFFAOYSA-N 0 0 350.010 3.720 40 5 FHBBRN COc1ccc2c(c1)-c1nc(NC(=O)c3ccc([N+](=O)[O-])o3)sc1CC2 ZINC000019894568 571327673 /nfs/dbraw/zinc/32/76/73/571327673.db2.gz XMWLUZWXAAFDOA-UHFFFAOYSA-N 0 0 371.374 3.671 40 5 FHBBRN COc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000020104167 571327909 /nfs/dbraw/zinc/32/79/09/571327909.db2.gz ZTZXRGFKIYIGTE-UHFFFAOYSA-N 0 0 352.799 3.988 40 5 FHBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000020137255 571328021 /nfs/dbraw/zinc/32/80/21/571328021.db2.gz UNNAUJTVHNVDTR-UHFFFAOYSA-N 0 0 366.373 3.837 40 5 FHBBRN COc1cccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000020483472 571329719 /nfs/dbraw/zinc/32/97/19/571329719.db2.gz JZAFVHHYTPVNCD-JTQLQIEISA-N 0 0 350.758 3.663 40 5 FHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1C ZINC000022521510 571336948 /nfs/dbraw/zinc/33/69/48/571336948.db2.gz UHADHJZYLYIGIN-CQSZACIVSA-N 0 0 358.394 3.935 40 5 FHBBRN O=[N+]([O-])c1ccc2oc(CCc3nc4cc([N+](=O)[O-])ccc4o3)nc2c1 ZINC000216740605 571342792 /nfs/dbraw/zinc/34/27/92/571342792.db2.gz NYZNNJKYTIFPQC-UHFFFAOYSA-N 0 0 354.278 3.571 40 5 FHBBRN Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2C[C@@H]2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006639694 209454226 /nfs/dbraw/zinc/45/42/26/209454226.db2.gz REZSXRRNSDMTOD-JOQOYGCGSA-N 0 0 368.389 3.782 40 5 FHBBRN COc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)s2)cc1 ZINC000136323894 209373827 /nfs/dbraw/zinc/37/38/27/209373827.db2.gz XYWAAPTVKYHWED-UHFFFAOYSA-N 0 0 370.390 3.683 40 5 FHBBRN Cc1cc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] ZINC000047081070 209327896 /nfs/dbraw/zinc/32/78/96/209327896.db2.gz SEKKZCFPHWBTTH-UHFFFAOYSA-N 0 0 355.394 3.684 40 5 FHBBRN COc1cc2c(c3c1/c(=N\N(C)C)c1ccccc1n3C)C=CC(C)(C)O2 ZINC000104045311 209258681 /nfs/dbraw/zinc/25/86/81/209258681.db2.gz TWPGKMWHEBBEPW-ATJXCDBQSA-N 0 0 363.461 3.902 40 5 FHBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)OC1CCCCC1 ZINC000000892405 206844427 /nfs/dbraw/zinc/84/44/27/206844427.db2.gz DLLYPRJIXJFWSP-UHFFFAOYSA-N 0 0 363.395 3.613 40 5 FHBBRN Cc1c(Br)c([N+](=O)[O-])c(C)c(Br)c1[N+](=O)[O-] ZINC000004964155 207067069 /nfs/dbraw/zinc/06/70/69/207067069.db2.gz MSEUYONNCLDHNL-UHFFFAOYSA-N 0 0 353.954 3.645 40 5 FHBBRN Cc1ccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 ZINC000007759563 207206053 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/nfs/dbraw/zinc/32/80/42/571328042.db2.gz DHRYTJZNUXXTSE-UHFFFAOYSA-N 0 0 368.345 3.608 40 5 FHBBRN CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Cl ZINC000020455003 571329556 /nfs/dbraw/zinc/32/95/56/571329556.db2.gz PAIJQNUHBBYABQ-UHFFFAOYSA-N 0 0 362.769 3.986 40 5 FHBBRN O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1cccc([N+](=O)[O-])c1 ZINC000225809002 571338412 /nfs/dbraw/zinc/33/84/12/571338412.db2.gz FRUQQGQPPRYIHM-UHFFFAOYSA-N 0 0 372.768 3.870 40 5 FHBBRN COC(=O)c1c(C)n(C(=O)c2ccc(C)c([N+](=O)[O-])c2)c2ccccc21 ZINC000216960252 571344203 /nfs/dbraw/zinc/34/42/03/571344203.db2.gz DBPFAHUQVSDMFU-UHFFFAOYSA-N 0 0 352.346 3.641 40 5 FHBBRN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])CC(C)(C)O2 ZINC000218160258 571352587 /nfs/dbraw/zinc/35/25/87/571352587.db2.gz IZIWHSHDCPFRRQ-INIZCTEOSA-N 0 0 354.406 3.864 40 5 FHBBRN CCOc1ccc(-c2nnc3n2N[C@H](c2ccc([N+](=O)[O-])cc2)S3)cc1 ZINC000003843249 571352634 /nfs/dbraw/zinc/35/26/34/571352634.db2.gz IXDTZCAGNNURFI-INIZCTEOSA-N 0 0 369.406 3.600 40 5 FHBBRN Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000223429226 209759660 /nfs/dbraw/zinc/75/96/60/209759660.db2.gz XJIHLUPBAPIDSC-OAHLLOKOSA-N 0 0 362.451 3.868 40 5 FHBBRN COc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1[N+](=O)[O-] ZINC000222571639 209731370 /nfs/dbraw/zinc/73/13/70/209731370.db2.gz NUFXSJNMTUWSIF-GOPGUHFVSA-N 0 0 370.434 3.588 40 5 FHBBRN CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccccc1Cl ZINC000000930638 209383783 /nfs/dbraw/zinc/38/37/83/209383783.db2.gz XPHAEKLJUMEUFB-UHFFFAOYSA-N 0 0 357.797 3.959 40 5 FHBBRN CC(C)NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000047081161 209328340 /nfs/dbraw/zinc/32/83/40/209328340.db2.gz PEHDWLFYFJAGNP-UHFFFAOYSA-N 0 0 361.785 3.639 40 5 FHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 ZINC000043742164 209310863 /nfs/dbraw/zinc/31/08/63/209310863.db2.gz AFQCMEZVYVMAJC-GFCCVEGCSA-N 0 0 373.796 3.548 40 5 FHBBRN CCSc1nc2n(n1)[C@@H](c1ccco1)CC(c1ccc([N+](=O)[O-])cc1)=N2 ZINC000100068471 209208621 /nfs/dbraw/zinc/20/86/21/209208621.db2.gz FBLNJLAVBUKMGB-CQSZACIVSA-N 0 0 369.406 3.947 40 5 FHBBRN Cc1cc(C(F)F)nc2sc3c(ncn4nc(-c5ccnn5C)nc34)c21 ZINC000017076061 209199195 /nfs/dbraw/zinc/19/91/95/209199195.db2.gz KKDVNTMHJCIBGO-UHFFFAOYSA-N 0 0 371.376 3.534 40 5 FHBBRN CCCOC(=O)c1cc(Cl)c(Sc2n[nH]c(CC)n2)c([N+](=O)[O-])c1 ZINC000070462506 206675868 /nfs/dbraw/zinc/67/58/68/206675868.db2.gz RKDLHZCNRGJQCE-UHFFFAOYSA-N 0 0 370.818 3.647 40 5 FHBBRN CCCNC(=O)c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O ZINC000006624445 206802613 /nfs/dbraw/zinc/80/26/13/206802613.db2.gz CEVQMHBFBWCHNX-UHFFFAOYSA-N 0 0 355.397 3.732 40 5 biogenic FHBBRN O=[N+]([O-])c1c(Br)sc(NCc2ccccc2)c1[N+](=O)[O-] ZINC000005279020 207091574 /nfs/dbraw/zinc/09/15/74/207091574.db2.gz NGKIHRDZKFIDRF-UHFFFAOYSA-N 0 0 358.173 3.939 40 5 FHBBRN COc1cc(C(=O)[C@H]2O[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000005665425 207110378 /nfs/dbraw/zinc/11/03/78/207110378.db2.gz IBXBKKKWGBVVBN-DLBZAZTESA-N 0 0 363.753 3.588 40 5 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/nfs/dbraw/zinc/38/57/21/132385721.db2.gz UPYWDDOGDMDLGO-UHFFFAOYSA-N 0 0 353.407 3.689 40 5 FHBBRN Cc1ccnc(N2ON=C(c3cccc([N+](=O)[O-])c3)N3C=CC(C)=C[C@H]32)c1 ZINC000013213510 132866304 /nfs/dbraw/zinc/86/63/04/132866304.db2.gz GPJIFLPBPCVKKW-GOSISDBHSA-N 0 0 363.377 3.513 40 5 FHBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(C(C)C)cc2)cc1[N+](=O)[O-] ZINC000008560855 263355835 /nfs/dbraw/zinc/35/58/35/263355835.db2.gz IYEHRJOSZMIRTL-UHFFFAOYSA-N 0 0 359.338 3.887 40 5 FHBBRN O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1nc(-c2ccccc2)cs1 ZINC000160307615 263455832 /nfs/dbraw/zinc/45/58/32/263455832.db2.gz VXAIWJISQDMBJX-UHFFFAOYSA-N 0 0 372.431 3.844 40 5 FHBBRN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1Cl ZINC000026882274 568732015 /nfs/dbraw/zinc/73/20/15/568732015.db2.gz GMQUYEGEOJKOFM-UHFFFAOYSA-N 0 0 369.160 3.941 40 5 FHBBRN CCOC(=O)c1cc2cc3cc(C(=O)OCC)c(C)nc3cc2nc1C ZINC000002573144 570525403 /nfs/dbraw/zinc/52/54/03/570525403.db2.gz LYVDTJFRIGMQSE-UHFFFAOYSA-N 0 0 352.390 3.753 40 5 FHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000024068405 570549375 /nfs/dbraw/zinc/54/93/75/570549375.db2.gz RTWQDPMDWWCICZ-GFCCVEGCSA-N 0 0 373.796 3.548 40 5 FHBBRN CCCCC(=O)Nc1cccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000006396911 570558215 /nfs/dbraw/zinc/55/82/15/570558215.db2.gz FVOSGLBTRQMQNI-UHFFFAOYSA-N 0 0 371.393 3.984 40 5 FHBBRN CCCCN1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3N2CCCC2)C1=O ZINC000408530174 570565623 /nfs/dbraw/zinc/56/56/23/570565623.db2.gz IXBYPLDOMAUKBQ-UHFFFAOYSA-N 0 0 367.405 3.744 40 5 FHBBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c(C)c1 ZINC000408642672 570571458 /nfs/dbraw/zinc/57/14/58/570571458.db2.gz PJNAOHKZKVVUOW-OAHLLOKOSA-N 0 0 367.405 3.512 40 5 FHBBRN Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000408642332 570571487 /nfs/dbraw/zinc/57/14/87/570571487.db2.gz OAZBTFFJWHYCKL-OAHLLOKOSA-N 0 0 367.405 3.512 40 5 FHBBRN O=C(Nc1ccc(Br)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000005513365 570628871 /nfs/dbraw/zinc/62/88/71/570628871.db2.gz XNWLUWWXEMWEMH-UHFFFAOYSA-N 0 0 366.127 3.518 40 5 FHBBRN CN(C)C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408973503 570705449 /nfs/dbraw/zinc/70/54/49/570705449.db2.gz BESAHQJRUQUPOL-UHFFFAOYSA-N 0 0 368.400 3.973 40 5 FHBBRN O=[N+]([O-])c1cccc(-c2n(O)c3c([n+]2[O-])[C@@H]2CCC[C@@H]4CCC[C@H]3[C@H]24)c1 ZINC000100956309 570800887 /nfs/dbraw/zinc/80/08/87/570800887.db2.gz KGFYGNGVYCIQIX-DANNLKNASA-N 0 0 355.394 3.715 40 5 FHBBRN O=C(Nc1ccc2c(c1)OCO2)c1cc2c(ccc3ccccc32)oc1=O ZINC000028051500 571026522 /nfs/dbraw/zinc/02/65/22/571026522.db2.gz YSJWRKHAVKMKSR-UHFFFAOYSA-N 0 0 359.337 3.927 40 5 FHBBRN Cc1c(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cccc1[N+](=O)[O-] ZINC000039761946 571065103 /nfs/dbraw/zinc/06/51/03/571065103.db2.gz VYGMLQNVIMZUQJ-UHFFFAOYSA-N 0 0 371.412 3.893 40 5 FHBBRN C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000033927863 571085439 /nfs/dbraw/zinc/08/54/39/571085439.db2.gz IVZWWWWEWLNVOI-BMEPFDOTSA-N 0 0 369.377 3.730 40 5 FHBBRN O=C(O[C@H]1CCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000001716928 571166496 /nfs/dbraw/zinc/16/64/96/571166496.db2.gz XBACMRRDBWKSLE-IRXDYDNUSA-N 0 0 355.346 3.530 40 5 FHBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000001768111 571191907 /nfs/dbraw/zinc/19/19/07/571191907.db2.gz UJSQIXYDIMNFIY-UHFFFAOYSA-N 0 0 370.346 3.879 40 5 FHBBRN Cn1cc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccc([N+](=O)[O-])cc2)cn1 ZINC000006925536 571254606 /nfs/dbraw/zinc/25/46/06/571254606.db2.gz NEKOEMIHHRPDHW-LJQANCHMSA-N 0 0 365.368 3.823 40 5 FHBBRN CC(C)(C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)n1 ZINC000329069995 571326644 /nfs/dbraw/zinc/32/66/44/571326644.db2.gz ZCBZKJSODDOLNC-UHFFFAOYSA-N 0 0 369.347 3.648 40 5 FHBBRN O=[N+]([O-])c1ccc(CNc2cc(Cl)nc(-c3ccc(F)cc3)n2)cc1 ZINC000329054687 571326655 /nfs/dbraw/zinc/32/66/55/571326655.db2.gz VKOOBECBNSGOQM-UHFFFAOYSA-N 0 0 358.760 3.878 40 5 FHBBRN CCOC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1Cl ZINC000020045892 571327812 /nfs/dbraw/zinc/32/78/12/571327812.db2.gz MPGGDINMSIIBGK-UHFFFAOYSA-N 0 0 362.769 3.986 40 5 FHBBRN O=C(/C=C/c1ccc(Cl)cc1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000020496169 571329806 /nfs/dbraw/zinc/32/98/06/571329806.db2.gz SEATYELTIKNYNL-RMKNXTFCSA-N 0 0 370.752 3.950 40 5 FHBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000021576454 571335077 /nfs/dbraw/zinc/33/50/77/571335077.db2.gz NGDYWUKFYZJSTL-UHFFFAOYSA-N 0 0 373.384 3.742 40 5 FHBBRN CCOc1cccc(CNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 ZINC000022511223 571336957 /nfs/dbraw/zinc/33/69/57/571336957.db2.gz KDMKKSSBTQCVDU-UHFFFAOYSA-N 0 0 360.435 3.543 40 5 FHBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 ZINC000225562798 571337197 /nfs/dbraw/zinc/33/71/97/571337197.db2.gz GRFNXUHANSVHAV-UHFFFAOYSA-N 0 0 370.405 3.680 40 5 FHBBRN CCOC(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Cl ZINC000216310219 571342278 /nfs/dbraw/zinc/34/22/78/571342278.db2.gz GNZSQBLAWKTMIU-UHFFFAOYSA-N 0 0 362.769 3.986 40 5 FHBBRN CC(C)c1ccccc1OCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000059471942 571357317 /nfs/dbraw/zinc/35/73/17/571357317.db2.gz MCROBDUEBVMXHM-FMIVXFBMSA-N 0 0 354.406 3.927 40 5 FHBBRN Cc1c(Nc2cc(-c3ccccc3)nc(NC(C)C)n2)cccc1[N+](=O)[O-] ZINC000329038619 210132801 /nfs/dbraw/zinc/13/28/01/210132801.db2.gz RTJWDXWNDIFABV-UHFFFAOYSA-N 0 0 363.421 3.768 40 5 FHBBRN CC[C@@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccccn2)n1 ZINC000329000664 210128397 /nfs/dbraw/zinc/12/83/97/210128397.db2.gz KBBKTDHJJFWCHL-CYBMUJFWSA-N 0 0 364.409 3.823 40 5 FHBBRN COc1ccc(N2C(=N)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 ZINC000004593794 210080399 /nfs/dbraw/zinc/08/03/99/210080399.db2.gz MPDGJFXRVIQTKR-ZIDZLSMNSA-N 0 0 355.375 3.659 40 5 FHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C ZINC000000951549 210074219 /nfs/dbraw/zinc/07/42/19/210074219.db2.gz RTYKGRPGBZVSLJ-LLVKDONJSA-N 0 0 364.785 3.971 40 5 FHBBRN CCc1nc(Sc2c(Cl)cc(C(=O)OC(C)C)cc2[N+](=O)[O-])n[nH]1 ZINC000070462496 210063952 /nfs/dbraw/zinc/06/39/52/210063952.db2.gz CGWPGYLESZJXHO-UHFFFAOYSA-N 0 0 370.818 3.645 40 5 FHBBRN Cc1ccc(C)c(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000000783711 219320497 /nfs/dbraw/zinc/32/04/97/219320497.db2.gz UCGJIMXLYHXLST-UHFFFAOYSA-N 0 0 357.391 3.839 40 5 aggregator FHBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cn1 ZINC000225859750 222876396 /nfs/dbraw/zinc/87/63/96/222876396.db2.gz DTJSGIMEXLOGFX-UHFFFAOYSA-N 0 0 355.394 3.839 40 5 FHBBRN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000017370450 220215768 /nfs/dbraw/zinc/21/57/68/220215768.db2.gz SDEKTVDCOGPTDE-SNVBAGLBSA-N 0 0 364.785 3.756 40 5 FHBBRN CCCCCn1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O ZINC000040398747 211744067 /nfs/dbraw/zinc/74/40/67/211744067.db2.gz MOJDTHQAWGXTRA-UHFFFAOYSA-N 0 0 373.456 3.950 40 5 FHBBRN Cc1cccc(/N=c2\scc(-c3ccc([N+](=O)[O-])cc3)n2CCO)c1 ZINC000026442105 211447617 /nfs/dbraw/zinc/44/76/17/211447617.db2.gz FDAQJUMZSNFUPA-HNENSFHCSA-N 0 0 355.419 3.658 40 5 FHBBRN COc1ccc([C@H](C)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000022530396 211354225 /nfs/dbraw/zinc/35/42/25/211354225.db2.gz SUYYPQTZCZAHBC-VKUYVZBCSA-N 0 0 356.378 3.503 40 5 FHBBRN COc1cc(OCC(=O)Nc2cccc(Cl)c2C)ccc1[N+](=O)[O-] ZINC000022259268 211344783 /nfs/dbraw/zinc/34/47/83/211344783.db2.gz ACADTMZFZDWFSX-UHFFFAOYSA-N 0 0 350.758 3.583 40 5 FHBBRN COc1cc(OCC(=O)Nc2ccccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000022259314 211344558 /nfs/dbraw/zinc/34/45/58/211344558.db2.gz OUPNLPCNCBNNOV-UHFFFAOYSA-N 0 0 370.283 3.640 40 5 FHBBRN COc1cccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000020483474 211283663 /nfs/dbraw/zinc/28/36/63/211283663.db2.gz JZAFVHHYTPVNCD-SNVBAGLBSA-N 0 0 350.758 3.663 40 5 FHBBRN COc1ccc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC ZINC000020108920 211267894 /nfs/dbraw/zinc/26/78/94/211267894.db2.gz GGZICGZQIQBEPN-NSHDSACASA-N 0 0 362.407 3.731 40 5 FHBBRN O=C(NCC1(c2ccccc2)CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000016968956 211174244 /nfs/dbraw/zinc/17/42/44/211174244.db2.gz ITMVWELUODUZHL-UHFFFAOYSA-N 0 0 374.824 3.726 40 5 FHBBRN O=C1OC(c2ccco2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013924507 211065862 /nfs/dbraw/zinc/06/58/62/211065862.db2.gz RVSJSSGLGDWTFS-UVTDQMKNSA-N 0 0 350.286 3.792 40 5 FHBBRN CCCCOc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000005951655 210649357 /nfs/dbraw/zinc/64/93/57/210649357.db2.gz AAZNWQFOQLTULP-UHFFFAOYSA-N 0 0 359.338 3.934 40 5 FHBBRN CC(C)(C)c1cc(CCC(=O)Nc2ccccc2[N+](=O)[O-])cc(NC#N)n1 ZINC000005498864 210623537 /nfs/dbraw/zinc/62/35/37/210623537.db2.gz WGVYWBGEWSQOOD-UHFFFAOYSA-N 0 0 367.409 3.752 40 5 FHBBRN O=C(O[C@H]1CC[C@H](c2ccccc2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001711986 210367565 /nfs/dbraw/zinc/36/75/65/210367565.db2.gz JCXMTOFRSTXDRD-GUYCJALGSA-N 0 0 356.334 3.996 40 5 FHBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000072228739 221452293 /nfs/dbraw/zinc/45/22/93/221452293.db2.gz SHKFBTIGVJUMPI-UHFFFAOYSA-N 0 0 374.393 3.744 40 5 FHBBRN Cc1cc(C)cc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)c1 ZINC000002498654 132383523 /nfs/dbraw/zinc/38/35/23/132383523.db2.gz DMPWLUNSXREREY-LPHOPBHVSA-N 0 0 353.378 3.981 40 5 FHBBRN CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C)c1 ZINC000010446351 263365929 /nfs/dbraw/zinc/36/59/29/263365929.db2.gz UQVFFLXJRXOPIJ-UHFFFAOYSA-N 0 0 362.769 3.986 40 5 FHBBRN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)C(C)C ZINC000017076065 263372178 /nfs/dbraw/zinc/37/21/78/263372178.db2.gz TYKWVNRYXUUNBA-UHFFFAOYSA-N 0 0 371.393 3.759 40 5 FHBBRN COc1cc(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000217887060 522407010 /nfs/dbraw/zinc/40/70/10/522407010.db2.gz OQDDXJQWQKPTRU-CSKARUKUSA-N 0 0 370.405 3.720 40 5 FHBBRN CCc1ccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc1 ZINC000002468599 536183752 /nfs/dbraw/zinc/18/37/52/536183752.db2.gz FNJWGIFEMNIDCT-VQIMIIECSA-N 0 0 353.378 3.927 40 5 FHBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000222122801 568242088 /nfs/dbraw/zinc/24/20/88/568242088.db2.gz BMLLLESUUPGTTH-MHWRWJLKSA-N 0 0 370.386 3.840 40 5 FHBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cncc(Br)c1 ZINC000072228756 570535212 /nfs/dbraw/zinc/53/52/12/570535212.db2.gz DOKVDHFOGPGRKH-UHFFFAOYSA-N 0 0 364.199 3.875 40 5 FHBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000003602736 570547694 /nfs/dbraw/zinc/54/76/94/570547694.db2.gz KISWMSJOGPXWEA-UHFFFAOYSA-N 0 0 370.390 3.684 40 5 FHBBRN O=[N+]([O-])c1ccc(Sc2nnc(C34CC5CC(CC(C5)C3)C4)o2)nc1 ZINC000408585244 570569367 /nfs/dbraw/zinc/56/93/67/570569367.db2.gz YBCMYGRKUCAZRT-UHFFFAOYSA-N 0 0 358.423 3.992 40 5 FHBBRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1[N+](=O)[O-] ZINC000408639375 570570928 /nfs/dbraw/zinc/57/09/28/570570928.db2.gz FWRNYAJBADIKFE-HNNXBMFYSA-N 0 0 367.405 3.512 40 5 FHBBRN COc1cccc(-c2nnc(SC(=O)c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000408656942 570571945 /nfs/dbraw/zinc/57/19/45/570571945.db2.gz MOUGAOFOOFMNLA-UHFFFAOYSA-N 0 0 357.347 3.586 40 5 FHBBRN COc1ccc(-c2nnc(SC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000408692435 570572301 /nfs/dbraw/zinc/57/23/01/570572301.db2.gz MIEQIIOZBRUWHO-UHFFFAOYSA-N 0 0 357.347 3.586 40 5 FHBBRN O=C1[C@H]2[C@H]3C=C[C@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004996128 570573176 /nfs/dbraw/zinc/57/31/76/570573176.db2.gz RLUBEIQSQNHKLB-NBMJBFSESA-N 0 0 364.401 3.777 40 5 FHBBRN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004996127 570573236 /nfs/dbraw/zinc/57/32/36/570573236.db2.gz RLUBEIQSQNHKLB-XHVUQVIVSA-N 0 0 364.401 3.777 40 5 FHBBRN O=C1S/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1c1ccccc1 ZINC000033713386 570578234 /nfs/dbraw/zinc/57/82/34/570578234.db2.gz IGXRXMLQPCAAIO-VIZOYTHASA-N 0 0 370.342 3.564 40 5 FHBBRN COc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OC ZINC000408617698 570582602 /nfs/dbraw/zinc/58/26/02/570582602.db2.gz DKCPMEYATFNXAF-UHFFFAOYSA-N 0 0 350.758 3.826 40 5 FHBBRN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1c2ccccc2nc2ccccc21 ZINC000005460005 570627866 /nfs/dbraw/zinc/62/78/66/570627866.db2.gz ZYTIIZFQADEFDA-UHFFFAOYSA-N 0 0 373.368 3.979 40 5 FHBBRN Cc1cc2sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)nc2c(C)c1 ZINC000005183446 570629597 /nfs/dbraw/zinc/62/95/97/570629597.db2.gz DXBQYFRAYQKHDD-UHFFFAOYSA-N 0 0 357.391 3.839 40 5 FHBBRN Cc1nc(Nc2ccc(O)cc2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000005360779 570649562 /nfs/dbraw/zinc/64/95/62/570649562.db2.gz DZBADKFTBITGJD-UHFFFAOYSA-N 0 0 351.366 3.910 40 5 FHBBRN COc1ccccc1Nc1ncc([N+](=O)[O-])c(Nc2ccccc2OC)n1 ZINC000005353114 570649578 /nfs/dbraw/zinc/64/95/78/570649578.db2.gz AVNHJUDDUMXTSV-UHFFFAOYSA-N 0 0 367.365 3.889 40 5 FHBBRN Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCc1ccccc1 ZINC000005008299 570674617 /nfs/dbraw/zinc/67/46/17/570674617.db2.gz AZKCTTGQSCCJPO-UHFFFAOYSA-N 0 0 356.407 3.595 40 5 FHBBRN COc1cc2c(cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CCCC2 ZINC000408927266 570700018 /nfs/dbraw/zinc/70/00/18/570700018.db2.gz OZXKTMXPXXNEDT-UHFFFAOYSA-N 0 0 371.349 3.643 40 5 FHBBRN COc1cc2nc3ccc(NC(=S)NC(C)(C)C)cc3nc2cc1OC ZINC000409001165 570711044 /nfs/dbraw/zinc/71/10/44/570711044.db2.gz VAUPZELHOMUIFU-UHFFFAOYSA-N 0 0 370.478 3.885 40 5 FHBBRN Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000004361145 570758758 /nfs/dbraw/zinc/75/87/58/570758758.db2.gz RQSXQQWWNKJFAK-UHFFFAOYSA-N 0 0 365.183 3.683 40 5 FHBBRN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000044839464 570900272 /nfs/dbraw/zinc/90/02/72/570900272.db2.gz DOCRREPMGWCETA-UHFFFAOYSA-N 0 0 361.206 3.844 40 5 FHBBRN CCOc1ccccc1CNC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000044847661 570901571 /nfs/dbraw/zinc/90/15/71/570901571.db2.gz MSLAZANMJIUAOG-UHFFFAOYSA-N 0 0 360.435 3.543 40 5 FHBBRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)n1 ZINC000109490839 570920488 /nfs/dbraw/zinc/92/04/88/570920488.db2.gz SAANHAYRGBOUHL-UHFFFAOYSA-N 0 0 350.378 3.709 40 5 FHBBRN CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000223060404 571048220 /nfs/dbraw/zinc/04/82/20/571048220.db2.gz WIQLLJXPYOBTDS-LJQANCHMSA-N 0 0 374.462 3.903 40 5 FHBBRN CC(C)(Cc1ccccc1)NC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223100226 571048621 /nfs/dbraw/zinc/04/86/21/571048621.db2.gz BFBJBSCBTFTFQC-UHFFFAOYSA-N 0 0 358.463 3.966 40 5 FHBBRN CCOc1ccc(NC(=O)CSc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000004602475 571106652 /nfs/dbraw/zinc/10/66/52/571106652.db2.gz PYCVWNLIILZSMZ-UHFFFAOYSA-N 0 0 373.390 3.866 40 5 FHBBRN O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1Cl ZINC000001943887 571146158 /nfs/dbraw/zinc/14/61/58/571146158.db2.gz VTWPSXDZEDHIPZ-UHFFFAOYSA-N 0 0 369.160 3.697 40 5 FHBBRN Cc1ccc(CNC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000006274950 571169295 /nfs/dbraw/zinc/16/92/95/571169295.db2.gz ANUBQPIDZHGCBA-UHFFFAOYSA-N 0 0 373.459 3.921 40 5 FHBBRN COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1Cl ZINC000006440978 571193119 /nfs/dbraw/zinc/19/31/19/571193119.db2.gz ZMWHBRFIFDSSTI-UHFFFAOYSA-N 0 0 369.160 3.941 40 5 FHBBRN COC(=O)[C@@H](c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000169800441 571254279 /nfs/dbraw/zinc/25/42/79/571254279.db2.gz AVOIZEZFNPOKBG-AWEZNQCLSA-N 0 0 350.168 3.662 40 5 FHBBRN Cc1ccc(-c2noc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000007721319 571286571 /nfs/dbraw/zinc/28/65/71/571286571.db2.gz MIWPFEUILAICLE-UHFFFAOYSA-N 0 0 372.768 3.537 40 5 FHBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1C ZINC000007928002 571299484 /nfs/dbraw/zinc/29/94/84/571299484.db2.gz KOLMKVYVSRVTTK-HNNXBMFYSA-N 0 0 367.405 3.512 40 5 FHBBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1[N+](=O)[O-] ZINC000007928283 571299582 /nfs/dbraw/zinc/29/95/82/571299582.db2.gz NJNXCTQFUUYLLT-GFCCVEGCSA-N 0 0 373.796 3.548 40 5 FHBBRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000015608646 571303717 /nfs/dbraw/zinc/30/37/17/571303717.db2.gz AMEVTSKDGBYJOK-GFCCVEGCSA-N 0 0 355.394 3.684 40 5 FHBBRN O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1 ZINC000214253635 571317269 /nfs/dbraw/zinc/31/72/69/571317269.db2.gz NXZGDHIWCJRBHM-OQLLNIDSSA-N 0 0 358.350 3.970 40 5 FHBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3cccc(C)c3)nc21 ZINC000010010650 571321337 /nfs/dbraw/zinc/32/13/37/571321337.db2.gz NUSXCJPIMRIZIQ-UHFFFAOYSA-N 0 0 373.390 3.539 40 5 FHBBRN COc1ccccc1NC(=O)COc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000003086429 571344573 /nfs/dbraw/zinc/34/45/73/571344573.db2.gz PCYRSDUTFDKHCJ-UHFFFAOYSA-N 0 0 371.176 3.928 40 5 FHBBRN COc1ccc2c(c1)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)CC(C)(C)O2 ZINC000217866315 571351133 /nfs/dbraw/zinc/35/11/33/571351133.db2.gz DBVNLQNJHPLZIP-INIZCTEOSA-N 0 0 356.378 3.636 40 5 FHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000003602849 571351506 /nfs/dbraw/zinc/35/15/06/571351506.db2.gz MXKBWABHWNZKDN-JTQLQIEISA-N 0 0 350.758 3.663 40 5 FHBBRN CC(=O)[C@H](C)Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000006624660 210231935 /nfs/dbraw/zinc/23/19/35/210231935.db2.gz BZQZNTDIZVKYPU-ZDUSSCGKSA-N 0 0 356.381 3.948 40 5 biogenic FHBBRN COC(=O)c1c(C)n(C(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000216951780 210172412 /nfs/dbraw/zinc/17/24/12/210172412.db2.gz BHWQDWFGAYLAIS-UHFFFAOYSA-N 0 0 352.346 3.527 40 5 FHBBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000217877015 222674770 /nfs/dbraw/zinc/67/47/70/222674770.db2.gz VOIPGNISXNMCAS-MRXNPFEDSA-N 0 0 370.405 3.944 40 5 FHBBRN CC[C@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2cccnc2)n1 ZINC000329056713 210132476 /nfs/dbraw/zinc/13/24/76/210132476.db2.gz VTURHEWEAINAKZ-ZDUSSCGKSA-N 0 0 364.409 3.823 40 5 FHBBRN CC[C@@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccncc2)n1 ZINC000328974185 210127286 /nfs/dbraw/zinc/12/72/86/210127286.db2.gz FDWGXTSRVXJRJW-CYBMUJFWSA-N 0 0 364.409 3.823 40 5 FHBBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccc([N+](=O)[O-])c3)N21 ZINC000222645335 222743837 /nfs/dbraw/zinc/74/38/37/222743837.db2.gz 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/nfs/dbraw/zinc/44/99/88/263449988.db2.gz AHYCEGBVZGKYCE-YBEGLDIGSA-N 0 0 370.386 3.840 40 5 FHBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000408626957 263482743 /nfs/dbraw/zinc/48/27/43/263482743.db2.gz JRGZEDFXENEJOJ-UHFFFAOYSA-N 0 0 367.789 3.823 40 5 FHBBRN O=C(NCCCN1CCCc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000217875085 527666569 /nfs/dbraw/zinc/66/65/69/527666569.db2.gz LSYWYIJALIMQMR-UHFFFAOYSA-N 0 0 373.840 3.821 40 5 FHBBRN Cc1ccc(-c2nn(CC(=O)c3ccc([N+](=O)[O-])cc3)c(=S)o2)cc1 ZINC000008550647 568318282 /nfs/dbraw/zinc/31/82/82/568318282.db2.gz TZPYODQDYPRFFF-UHFFFAOYSA-N 0 0 355.375 3.972 40 5 FHBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1O ZINC000408544024 570567682 /nfs/dbraw/zinc/56/76/82/570567682.db2.gz RKERJFGFVRKSGU-PLNGDYQASA-N 0 0 369.171 3.928 40 5 FHBBRN CCCCOc1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408588904 570569121 /nfs/dbraw/zinc/56/91/21/570569121.db2.gz XAYGIDNOSSOSFX-UHFFFAOYSA-N 0 0 357.362 3.813 40 5 FHBBRN 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/nfs/dbraw/zinc/68/37/76/570683776.db2.gz HDFRODLERVAMAX-UHFFFAOYSA-N 0 0 368.028 3.789 40 5 FHBBRN COCCNC(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408994177 570709787 /nfs/dbraw/zinc/70/97/87/570709787.db2.gz GYDHSHOVUIHREX-UHFFFAOYSA-N 0 0 352.419 3.766 40 5 FHBBRN CCN(CC)C(=S)Nc1ccc2nc3cc(OC)c(OC)cc3nc2c1 ZINC000408995092 570710113 /nfs/dbraw/zinc/71/01/13/570710113.db2.gz IUTOSLQZZITESM-UHFFFAOYSA-N 0 0 370.478 3.839 40 5 FHBBRN CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224753546 571000003 /nfs/dbraw/zinc/00/00/03/571000003.db2.gz UZEBATCUMVSIRL-UHFFFAOYSA-N 0 0 358.778 3.603 40 5 FHBBRN COC(=O)c1ccc(NC(=O)c2ccc3nc4ccccc4nc3c2)cc1 ZINC000096582955 571098359 /nfs/dbraw/zinc/09/83/59/571098359.db2.gz NXUJWDITGFGJGH-UHFFFAOYSA-N 0 0 357.369 3.822 40 5 FHBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000260786351 571122848 /nfs/dbraw/zinc/12/28/48/571122848.db2.gz WKEFOAHQNTWZDU-XYPHTWIQSA-N 0 0 354.435 3.969 40 5 FHBBRN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000222936679 571172465 /nfs/dbraw/zinc/17/24/65/571172465.db2.gz SCTMJMYJZLZQMA-CYBMUJFWSA-N 0 0 360.435 3.513 40 5 FHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000222949702 571187683 /nfs/dbraw/zinc/18/76/83/571187683.db2.gz SNNPSDSJZZAQII-CQSZACIVSA-N 0 0 374.462 3.822 40 5 FHBBRN O=C(Cn1ccc2cc(Br)ccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000006970264 571255915 /nfs/dbraw/zinc/25/59/15/571255915.db2.gz GHNLQNFFFHNOBX-UHFFFAOYSA-N 0 0 374.194 3.951 40 5 FHBBRN Cc1cc(C(=O)Nc2nnc(SCC(C)C)s2)ccc1[N+](=O)[O-] ZINC000224757276 571279413 /nfs/dbraw/zinc/27/94/13/571279413.db2.gz MRGOTZRFBXQQPG-UHFFFAOYSA-N 0 0 352.441 3.755 40 5 FHBBRN Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 ZINC000007759213 571287941 /nfs/dbraw/zinc/28/79/41/571287941.db2.gz XTRMOCGJIDCXMK-UHFFFAOYSA-N 0 0 366.377 3.534 40 5 FHBBRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000007792190 571289213 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FHBBRN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000004040773 571354481 /nfs/dbraw/zinc/35/44/81/571354481.db2.gz UGMLBCXMZQYDON-UHFFFAOYSA-N 0 0 374.809 3.943 40 5 FHBBRN Cc1ccoc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000059484375 571357378 /nfs/dbraw/zinc/35/73/78/571357378.db2.gz QWDDTZUVPOEBJU-GFCCVEGCSA-N 0 0 363.801 3.501 40 5 FHBBRN COc1ccc2c(c1)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)CC(C)(C)O2 ZINC000217876820 222674521 /nfs/dbraw/zinc/67/45/21/222674521.db2.gz XQHRJIQQVJHHOZ-MRXNPFEDSA-N 0 0 370.405 3.944 40 5 FHBBRN CC(C)(C)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(C(F)(F)F)n1 ZINC000329051452 210133901 /nfs/dbraw/zinc/13/39/01/210133901.db2.gz UXNGPQTWAVBZJA-UHFFFAOYSA-N 0 0 373.310 3.919 40 5 FHBBRN COC(=O)c1cn(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000222568425 222740476 /nfs/dbraw/zinc/74/04/76/222740476.db2.gz BUKMAGQUURDPLZ-MDZDMXLPSA-N 0 0 350.330 3.690 40 5 FHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000222949639 222758783 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355.177 3.710 40 5 FHBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2ccccc2)s1 ZINC000018702418 211197223 /nfs/dbraw/zinc/19/72/23/211197223.db2.gz LUTRLWYXAAFOBC-DHZHZOJOSA-N 0 0 352.375 3.765 40 5 FHBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)OC/C=C\c1ccc2c(c1)OCO2 ZINC000017353358 211184990 /nfs/dbraw/zinc/18/49/90/211184990.db2.gz PKSXVFIYWMFYCN-MLOBKFMHSA-N 0 0 353.330 3.593 40 5 FHBBRN C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 ZINC000013669656 211047501 /nfs/dbraw/zinc/04/75/01/211047501.db2.gz WYEMBLHLNQNRGR-CYBMUJFWSA-N 0 0 362.451 3.932 40 5 FHBBRN Cc1cccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c1 ZINC000007759559 210752496 /nfs/dbraw/zinc/75/24/96/210752496.db2.gz LNNIBUPPMBWVIJ-UHFFFAOYSA-N 0 0 366.377 3.534 40 5 FHBBRN O=C(COc1ccc(Cl)c(Cl)c1)NCc1ccc([N+](=O)[O-])cc1 ZINC000001749705 210367749 /nfs/dbraw/zinc/36/77/49/210367749.db2.gz AIFGJRPVYUCBAM-UHFFFAOYSA-N 0 0 355.177 3.597 40 5 FHBBRN COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC 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0 0 368.418 3.662 40 5 FHBBRN O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000005867296 263343642 /nfs/dbraw/zinc/34/36/42/263343642.db2.gz GQCHAKWDTPKMDB-UHFFFAOYSA-N 0 0 367.405 3.910 40 5 FHBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(C)C2=O)o1 ZINC000408807600 263497918 /nfs/dbraw/zinc/49/79/18/263497918.db2.gz CUVIICPONAZCSE-ZSOIEALJSA-N 0 0 360.347 3.530 40 5 FHBBRN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408843583 263501174 /nfs/dbraw/zinc/50/11/74/263501174.db2.gz MIAIOKBAWMEEPG-NTUHNPAUSA-N 0 0 373.708 3.501 40 5 FHBBRN COc1ccc(CCCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000409000660 263515752 /nfs/dbraw/zinc/51/57/52/263515752.db2.gz FIDTVWYMFCPZAC-UHFFFAOYSA-N 0 0 371.389 3.661 40 5 FHBBRN Cc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1[N+](=O)[O-] ZINC000217944240 526188464 /nfs/dbraw/zinc/18/84/64/526188464.db2.gz JTFBXJFZWXIQPI-UHFFFAOYSA-N 0 0 372.768 3.537 40 5 FHBBRN CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C)c(C)c1 ZINC000219828266 568306394 /nfs/dbraw/zinc/30/63/94/568306394.db2.gz GRWIPKOGIFBRMO-QGZVFWFLSA-N 0 0 372.421 3.867 40 5 FHBBRN CCOc1ccc(-c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)nn2)cc1 ZINC000408526749 570565871 /nfs/dbraw/zinc/56/58/71/570565871.db2.gz AUUZDMNCGLEGJN-UHFFFAOYSA-N 0 0 365.345 3.670 40 5 FHBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2)n1-c1ccc(F)cc1 ZINC000408570381 570568244 /nfs/dbraw/zinc/56/82/44/570568244.db2.gz LHKAOLJIKBLXQG-INIZCTEOSA-N 0 0 358.398 3.825 40 5 FHBBRN Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 ZINC000408626947 570570663 /nfs/dbraw/zinc/57/06/63/570570663.db2.gz JPULUJOROIPXPX-UHFFFAOYSA-N 0 0 363.826 3.992 40 5 FHBBRN O=C(CSCc1cccc([N+](=O)[O-])c1)NCCSc1ccccc1 ZINC000408728251 570573340 /nfs/dbraw/zinc/57/33/40/570573340.db2.gz YFUMNVJADSRMET-UHFFFAOYSA-N 0 0 362.476 3.737 40 5 FHBBRN CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 ZINC000408751087 570574208 /nfs/dbraw/zinc/57/42/08/570574208.db2.gz WHEDWGISNWHYOU-UHFFFAOYSA-N 0 0 371.399 3.727 40 5 FHBBRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2 ZINC000007689054 570670038 /nfs/dbraw/zinc/67/00/38/570670038.db2.gz JECWGVNASNZMAF-ZDUSSCGKSA-N 0 0 360.435 3.513 40 5 FHBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)cc1 ZINC000408774298 570685458 /nfs/dbraw/zinc/68/54/58/570685458.db2.gz BYMGBCRGQHRHRW-QMJOVRGKSA-N 0 0 355.419 3.757 40 5 FHBBRN O=[N+]([O-])c1ccc(NCc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000039956409 570836916 /nfs/dbraw/zinc/83/69/16/570836916.db2.gz VFBNTFGBQGHHKR-UHFFFAOYSA-N 0 0 352.144 3.878 40 5 FHBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCO2 ZINC000014258495 570846521 /nfs/dbraw/zinc/84/65/21/570846521.db2.gz RYPTXPILOJASBX-QHHAFSJGSA-N 0 0 360.753 3.671 40 5 FHBBRN Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000047219314 570882663 /nfs/dbraw/zinc/88/26/63/570882663.db2.gz ITWIYMQYIJLUQZ-UHFFFAOYSA-N 0 0 355.394 3.684 40 5 FHBBRN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000044900046 570902390 /nfs/dbraw/zinc/90/23/90/570902390.db2.gz CSHGRLVVMMOROV-UHFFFAOYSA-N 0 0 370.796 3.672 40 5 FHBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(Cl)cc(Cl)c1 ZINC000001934473 571146196 /nfs/dbraw/zinc/14/61/96/571146196.db2.gz NBZFZUQISOTLGR-UHFFFAOYSA-N 0 0 369.160 3.697 40 5 FHBBRN CCc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC ZINC000223687397 571160849 /nfs/dbraw/zinc/16/08/49/571160849.db2.gz BOQWSIYJZCIWFS-UHFFFAOYSA-N 0 0 370.814 3.620 40 5 FHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(C(C)(C)C)cc1 ZINC000223738950 571161448 /nfs/dbraw/zinc/16/14/48/571161448.db2.gz RVUCHDRYYKYWIC-UHFFFAOYSA-N 0 0 362.451 3.679 40 5 FHBBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000043739418 571202618 /nfs/dbraw/zinc/20/26/18/571202618.db2.gz CNLWHDBKYMXWNF-GFCCVEGCSA-N 0 0 373.796 3.548 40 5 FHBBRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1[N+](=O)[O-] ZINC000043739419 571202699 /nfs/dbraw/zinc/20/26/99/571202699.db2.gz CNLWHDBKYMXWNF-LBPRGKRZSA-N 0 0 373.796 3.548 40 5 FHBBRN COc1ccc(N(CC(=O)c2cccc([N+](=O)[O-])c2)C2=NCCCC2)cc1 ZINC000007275543 571263735 /nfs/dbraw/zinc/26/37/35/571263735.db2.gz AJBWSODPIHNNTD-UHFFFAOYSA-N 0 0 367.405 3.875 40 5 FHBBRN COc1cc(Br)c(CNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000301073121 571280883 /nfs/dbraw/zinc/28/08/83/571280883.db2.gz NKAMHBAJYPPBKB-UHFFFAOYSA-N 0 0 367.199 3.987 40 5 FHBBRN Cc1ccc(-c2noc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 ZINC000007759340 571288042 /nfs/dbraw/zinc/28/80/42/571288042.db2.gz XTEQCQMZTRJAMT-UHFFFAOYSA-N 0 0 372.768 3.537 40 5 FHBBRN Cc1ccc(NC(=O)CCC(=O)OCc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000006478065 571296529 /nfs/dbraw/zinc/29/65/29/571296529.db2.gz REWBHIKKHUJDGW-UHFFFAOYSA-N 0 0 356.378 3.674 40 5 FHBBRN O=C(CCC(=O)OCc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 ZINC000006526537 571296731 /nfs/dbraw/zinc/29/67/31/571296731.db2.gz GUBOOSVVFAJUHG-UHFFFAOYSA-N 0 0 362.769 3.710 40 5 FHBBRN CCOC(=O)c1cccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)c1 ZINC000137523182 571307128 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570522974 /nfs/dbraw/zinc/52/29/74/570522974.db2.gz VVOLYCJBFVRIPF-UHFFFAOYSA-N 0 0 352.346 3.774 40 5 FHBBRN Cc1ccc(C)c(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000003514348 570547726 /nfs/dbraw/zinc/54/77/26/570547726.db2.gz KHLORRYPFNLQAC-UHFFFAOYSA-N 0 0 362.769 3.661 40 5 FHBBRN COc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)nn2)cc1[N+](=O)[O-] ZINC000408531563 570566961 /nfs/dbraw/zinc/56/69/61/570566961.db2.gz UXNSERJERXYPRL-UHFFFAOYSA-N 0 0 365.345 3.588 40 5 FHBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(C)cc2)n1-c1ccccc1 ZINC000408571597 570568259 /nfs/dbraw/zinc/56/82/59/570568259.db2.gz PEVHCGJCNYQGAS-KRWDZBQOSA-N 0 0 354.435 3.994 40 5 FHBBRN Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000408644720 570571571 /nfs/dbraw/zinc/57/15/71/570571571.db2.gz RNOYZMARVNMUQT-HNNXBMFYSA-N 0 0 367.405 3.512 40 5 FHBBRN COc1ccc(-c2nnc(SC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000408692098 570572374 /nfs/dbraw/zinc/57/23/74/570572374.db2.gz DJFYKRYQKYVKDA-UHFFFAOYSA-N 0 0 357.347 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FHBBRN COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C ZINC000225564575 222850775 /nfs/dbraw/zinc/85/07/75/222850775.db2.gz OSZUQYFZECBGLS-UHFFFAOYSA-N 0 0 370.405 3.599 40 5 FHBBRN COc1cc(C=O)ccc1OC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000001753069 219417572 /nfs/dbraw/zinc/41/75/72/219417572.db2.gz UCVXPKCEEKJNGU-UHFFFAOYSA-N 0 0 350.714 3.680 40 5 FHBBRN O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)n1cc(CO)c2ccccc21 ZINC000226768066 222888242 /nfs/dbraw/zinc/88/82/42/222888242.db2.gz WOIQOBYUJRJTGY-UHFFFAOYSA-N 0 0 362.341 3.990 40 5 FHBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1c(Cl)cccc1Cl ZINC000003463992 219513498 /nfs/dbraw/zinc/51/34/98/219513498.db2.gz WWPJQJIKHYHOOC-UHFFFAOYSA-N 0 0 351.145 3.698 40 5 FHBBRN O=[N+]([O-])c1ccc(Nc2cc(C(F)(F)F)nc(NC3CCCC3)n2)cc1 ZINC000328971653 223127046 /nfs/dbraw/zinc/12/70/46/223127046.db2.gz DRJGDVDYFAERAH-UHFFFAOYSA-N 0 0 367.331 3.924 40 5 FHBBRN Cc1c(Nc2cc(-c3ccccc3)nc(NC3CC3)n2)cccc1[N+](=O)[O-] ZINC000328998601 223128342 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O=C(CSc1noc(Cc2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000028526959 571339301 /nfs/dbraw/zinc/33/93/01/571339301.db2.gz AWVPBOPGNKPNIG-UHFFFAOYSA-N 0 0 355.375 3.544 40 5 FHBBRN Cc1nccn1-c1ccc(CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000216255658 571342205 /nfs/dbraw/zinc/34/22/05/571342205.db2.gz DMRNMCRJAALXGJ-UHFFFAOYSA-N 0 0 370.796 3.672 40 5 FHBBRN O=C1NC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\C=C\c1ccccc1 ZINC000003114416 571344843 /nfs/dbraw/zinc/34/48/43/571344843.db2.gz PHBAIQZQAUOTOO-GVEAZFNLSA-N 0 0 353.765 3.722 40 5 FHBBRN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000217862714 571351192 /nfs/dbraw/zinc/35/11/92/571351192.db2.gz MLGVJRAQGNJQQP-MRXNPFEDSA-N 0 0 356.378 3.636 40 5 FHBBRN O=[N+]([O-])c1cccc(-c2nnc3n2N[C@H](/C=C/c2ccccc2)S3)c1 ZINC000003843237 571352621 /nfs/dbraw/zinc/35/26/21/571352621.db2.gz HHOMCUMXDNWTCT-FEAKQIBJSA-N 0 0 351.391 3.542 40 5 FHBBRN CCOc1cc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000008266749 571360122 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O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1F ZINC000008209526 263353173 /nfs/dbraw/zinc/35/31/73/263353173.db2.gz BFNILABLNAHGKG-UHFFFAOYSA-N 0 0 374.353 3.515 40 5 FHBBRN CCOCCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409129570 263531404 /nfs/dbraw/zinc/53/14/04/263531404.db2.gz GYFBBWBOHGUYPV-XDJHFCHBSA-N 0 0 354.406 3.678 40 5 FHBBRN Cc1c(C(=O)Nc2cccc(-c3ccc(CO)o3)c2)cccc1[N+](=O)[O-] ZINC000020141016 525659891 /nfs/dbraw/zinc/65/98/91/525659891.db2.gz LJEFEDBOQQGHIW-UHFFFAOYSA-N 0 0 352.346 3.908 40 5 FHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 ZINC000014006961 570502459 /nfs/dbraw/zinc/50/24/59/570502459.db2.gz IVBZIDYRXQHGHJ-SNVBAGLBSA-N 0 0 350.758 3.663 40 5 FHBBRN COc1ccc(NC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] ZINC000014258204 570523048 /nfs/dbraw/zinc/52/30/48/570523048.db2.gz KLBXHYWPTJHHHD-UHFFFAOYSA-N 0 0 351.156 3.618 40 5 FHBBRN CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000408714812 570573244 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CCCN(CCC)CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000059422875 571090404 /nfs/dbraw/zinc/09/04/04/571090404.db2.gz SDUCFWIXMLYVTA-RVDMUPIBSA-N 0 0 363.439 3.711 40 5 FHBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccccc3[N+](=O)[O-])N21 ZINC000260753004 571121962 /nfs/dbraw/zinc/12/19/62/571121962.db2.gz AODSALNMGJLXDX-DQYPLSBCSA-N 0 0 354.435 3.969 40 5 FHBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccc([N+](=O)[O-])c3)N21 ZINC000260781077 571122947 /nfs/dbraw/zinc/12/29/47/571122947.db2.gz SLSIQPKOADZIRX-COXVUDFISA-N 0 0 354.435 3.969 40 5 FHBBRN O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccccc1[N+](=O)[O-] ZINC000001516117 571125273 /nfs/dbraw/zinc/12/52/73/571125273.db2.gz RAPQTZIXXYONLR-LCYFTJDESA-N 0 0 373.162 3.702 40 5 FHBBRN O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc21 ZINC000001948768 571146224 /nfs/dbraw/zinc/14/62/24/571146224.db2.gz IKHGPRYYCRYRKM-UHFFFAOYSA-N 0 0 350.330 3.544 40 5 FHBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000003383720 571146822 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360.391 3.574 40 5 FHBBRN Cc1nc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1Br ZINC000006571325 571210029 /nfs/dbraw/zinc/21/00/29/571210029.db2.gz FOQPVWKAROGCHJ-UHFFFAOYSA-N 0 0 350.172 3.621 40 5 FHBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000006613180 571237008 /nfs/dbraw/zinc/23/70/08/571237008.db2.gz ZZQWOYRXPWDIDY-UHFFFAOYSA-N 0 0 370.365 3.664 40 5 FHBBRN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1Br ZINC000006922162 571254645 /nfs/dbraw/zinc/25/46/45/571254645.db2.gz HYMRVHFBKUGOBA-UHFFFAOYSA-N 0 0 365.183 3.927 40 5 FHBBRN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000007792250 571289187 /nfs/dbraw/zinc/28/91/87/571289187.db2.gz YWMGNGYXGHFXAF-UHFFFAOYSA-N 0 0 369.160 3.941 40 5 FHBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000006595916 571296808 /nfs/dbraw/zinc/29/68/08/571296808.db2.gz JCNZOQYFIZLUAQ-SFHVURJKSA-N 0 0 351.314 3.969 40 5 FHBBRN COc1ccc(Cl)cc1-c1nc(Sc2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000007365866 571298885 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COc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(OC)cc1Cl ZINC000003191995 571345379 /nfs/dbraw/zinc/34/53/79/571345379.db2.gz WCDNPZCFJNIHNY-VOTSOKGWSA-N 0 0 362.769 3.917 40 5 FHBBRN CCOc1ccc(C(=O)Nc2c3nsnc3ccc2C)cc1[N+](=O)[O-] ZINC000059055419 571354902 /nfs/dbraw/zinc/35/49/02/571354902.db2.gz MRXZBFORUIDEDB-UHFFFAOYSA-N 0 0 358.379 3.559 40 5 FHBBRN O=C(Cc1ccccc1[N+](=O)[O-])Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000134256142 571357235 /nfs/dbraw/zinc/35/72/35/571357235.db2.gz ZUDZXWWVOJHDCX-UHFFFAOYSA-N 0 0 374.809 3.948 40 5 FHBBRN COc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1[N+](=O)[O-] ZINC000222571520 222740527 /nfs/dbraw/zinc/74/05/27/222740527.db2.gz NUFXSJNMTUWSIF-JECHBYEQSA-N 0 0 370.434 3.588 40 5 FHBBRN COc1cc2cn(C)c3c4cc(OC)c(=O)cc4ccc3c2cc1OC ZINC000000898539 219338099 /nfs/dbraw/zinc/33/80/99/219338099.db2.gz OOKZVPUCASIEBL-UHFFFAOYSA-O 0 0 350.394 3.702 40 5 biogenic,in-vitro FHBBRN Cc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225061395 222826585 /nfs/dbraw/zinc/82/65/85/222826585.db2.gz BVWFQXQXPFRDNS-UHFFFAOYSA-N 0 0 356.403 3.882 40 5 FHBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cccc(C(F)(F)F)c1 ZINC000010860171 219910841 /nfs/dbraw/zinc/91/08/41/219910841.db2.gz KWJFHPBVRLKFHY-UHFFFAOYSA-N 0 0 354.284 3.940 40 5 FHBBRN COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1OC ZINC000015409195 220153820 /nfs/dbraw/zinc/15/38/20/220153820.db2.gz DFNMNBCTNNRTRH-UHFFFAOYSA-N 0 0 350.758 3.826 40 5 FHBBRN O=C(Nc1cc2c3ccccc3c(=O)[nH]c2c([N+](=O)[O-])c1)C(F)(F)F ZINC000017429301 220216179 /nfs/dbraw/zinc/21/61/79/220216179.db2.gz DSDNXSSJSCFHQC-UHFFFAOYSA-N 0 0 351.240 3.503 40 5 FHBBRN CC(C)(C)c1ccc(OCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000021931247 220370797 /nfs/dbraw/zinc/37/07/97/220370797.db2.gz XBIYQSBTQZSXNB-UHFFFAOYSA-N 0 0 356.422 3.630 40 5 FHBBRN COc1cc(OCC(=O)Nc2cccc(Cl)c2Cl)ccc1[N+](=O)[O-] ZINC000022259416 220381318 /nfs/dbraw/zinc/38/13/18/220381318.db2.gz ULLYCEBYWNJTKX-UHFFFAOYSA-N 0 0 371.176 3.928 40 5 FHBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000022511385 220388634 /nfs/dbraw/zinc/38/86/34/220388634.db2.gz TZCIWLSMTXYQHR-QGZVFWFLSA-N 0 0 362.451 3.969 40 5 FHBBRN CCCCc1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1 ZINC000066013467 221237869 /nfs/dbraw/zinc/23/78/69/221237869.db2.gz POLUDAQEISYVLN-UHFFFAOYSA-N 0 0 358.394 3.964 40 5 FHBBRN CC1CCN(C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000008470890 263355323 /nfs/dbraw/zinc/35/53/23/263355323.db2.gz OYQPJLGLNMBJNR-UHFFFAOYSA-N 0 0 367.405 3.719 40 5 FHBBRN COc1cc(OC)cc(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c1 ZINC000009141736 263359876 /nfs/dbraw/zinc/35/98/76/263359876.db2.gz BZLLRXIFRLPUML-UHFFFAOYSA-N 0 0 350.758 3.826 40 5 FHBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(C)cc2Cl)cc1[N+](=O)[O-] ZINC000020528672 263381443 /nfs/dbraw/zinc/38/14/43/263381443.db2.gz VRWLQSWUWWCUQR-UHFFFAOYSA-N 0 0 365.729 3.726 40 5 FHBBRN Cc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000409172918 263537287 /nfs/dbraw/zinc/53/72/87/263537287.db2.gz MVRKWGREZQITEL-RIYZIHGNSA-N 0 0 357.753 3.654 40 5 FHBBRN CC(C)(C)OC(=O)N1CCC[C@@H](CSc2ncccc2[N+](=O)[O-])C1 ZINC000085332984 518805212 /nfs/dbraw/zinc/80/52/12/518805212.db2.gz UIAMBOYUDLPXGS-GFCCVEGCSA-N 0 0 353.444 3.729 40 5 FHBBRN CC(C)(C)OC(=O)N1CCC[C@@H](CSc2ccc([N+](=O)[O-])cn2)C1 ZINC000085333012 518805553 /nfs/dbraw/zinc/80/55/53/518805553.db2.gz QRZJNASDVZCWQW-GFCCVEGCSA-N 0 0 353.444 3.729 40 5 FHBBRN CCOC(=O)c1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1Cl ZINC000020458278 521438653 /nfs/dbraw/zinc/43/86/53/521438653.db2.gz IOUKRVRHFSCZPX-UHFFFAOYSA-N 0 0 362.769 3.606 40 5 FHBBRN CCOc1ccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)nn2)cc1 ZINC000408532473 570566989 /nfs/dbraw/zinc/56/69/89/570566989.db2.gz YVVBXOJZQSWPOH-UHFFFAOYSA-N 0 0 365.345 3.670 40 5 FHBBRN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1[N+](=O)[O-] ZINC000408639376 570571038 /nfs/dbraw/zinc/57/10/38/570571038.db2.gz FWRNYAJBADIKFE-OAHLLOKOSA-N 0 0 367.405 3.512 40 5 FHBBRN Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)c1 ZINC000408644721 570571359 /nfs/dbraw/zinc/57/13/59/570571359.db2.gz RNOYZMARVNMUQT-OAHLLOKOSA-N 0 0 367.405 3.512 40 5 FHBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H](O)n1nc(-c3cccc(Cl)c3)nc1S2 ZINC000409273026 570586057 /nfs/dbraw/zinc/58/60/57/570586057.db2.gz PCPFCAMWBMFVNP-CQSZACIVSA-N 0 0 360.782 3.511 40 5 FHBBRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 ZINC000004954278 570673891 /nfs/dbraw/zinc/67/38/91/570673891.db2.gz XLTCLNQCVBNIKP-UHFFFAOYSA-N 0 0 370.390 3.684 40 5 FHBBRN Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)CC(c1ccc([N+](=O)[O-])cc1)=N2 ZINC000101418963 570819950 /nfs/dbraw/zinc/81/99/50/570819950.db2.gz YNBLPDHMCUNRTA-QGZVFWFLSA-N 0 0 369.331 3.829 40 5 FHBBRN CC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000223058702 571047870 /nfs/dbraw/zinc/04/78/70/571047870.db2.gz KNVFVZACZKUNJN-QGZVFWFLSA-N 0 0 374.462 3.903 40 5 FHBBRN O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000015609606 571094489 /nfs/dbraw/zinc/09/44/89/571094489.db2.gz ULGQHYNGARSZEP-UHFFFAOYSA-N 0 0 373.796 3.737 40 5 FHBBRN CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1[N+](=O)[O-] ZINC000001993616 571146549 /nfs/dbraw/zinc/14/65/49/571146549.db2.gz YQYGAJGUHHPFFT-UHFFFAOYSA-N 0 0 356.378 3.515 40 5 FHBBRN CC(=O)c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000006022688 571170915 /nfs/dbraw/zinc/17/09/15/571170915.db2.gz RHNICOSVBDVOAL-UHFFFAOYSA-N 0 0 364.151 3.779 40 5 FHBBRN CC(C)NC(=O)c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O ZINC000006624309 571204667 /nfs/dbraw/zinc/20/46/67/571204667.db2.gz SZZPXBUSOLIYMV-UHFFFAOYSA-N 0 0 355.397 3.730 40 5 biogenic FHBBRN CCOC(=O)COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000006624283 571204724 /nfs/dbraw/zinc/20/47/24/571204724.db2.gz XFTMQAUIURZSEX-UHFFFAOYSA-N 0 0 372.380 3.534 40 5 biogenic FHBBRN COc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1Br ZINC000006923985 571254705 /nfs/dbraw/zinc/25/47/05/571254705.db2.gz KMPRDVJHCOTBKO-UHFFFAOYSA-N 0 0 365.183 3.927 40 5 FHBBRN CN(c1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000199800875 571292351 /nfs/dbraw/zinc/29/23/51/571292351.db2.gz IRHZYTGTOUZXMR-UHFFFAOYSA-N 0 0 362.821 3.946 40 5 FHBBRN O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000006423815 571296418 /nfs/dbraw/zinc/29/64/18/571296418.db2.gz ROGIZDZEQQDYEJ-UHFFFAOYSA-N 0 0 350.256 3.742 40 5 FHBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000006595734 571296876 /nfs/dbraw/zinc/29/68/76/571296876.db2.gz YJTOJQBVQYJLSA-LJQANCHMSA-N 0 0 362.341 3.771 40 5 FHBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)CC2=O)cc1C ZINC000007928001 571299405 /nfs/dbraw/zinc/29/94/05/571299405.db2.gz KOLMKVYVSRVTTK-OAHLLOKOSA-N 0 0 367.405 3.512 40 5 FHBBRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1C ZINC000007928506 571299552 /nfs/dbraw/zinc/29/95/52/571299552.db2.gz VYBMPCOQQUMADA-HNNXBMFYSA-N 0 0 367.405 3.512 40 5 FHBBRN O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 ZINC000214239652 571313398 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3.542 40 5 FHBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc2ccccc2oc1=O ZINC000000783738 219320439 /nfs/dbraw/zinc/32/04/39/219320439.db2.gz PSXSYNMFSWDPEL-UHFFFAOYSA-N 0 0 367.342 3.563 40 5 FHBBRN Cn1c(CNc2ccc(F)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000000873177 219334589 /nfs/dbraw/zinc/33/45/89/219334589.db2.gz QEZRANVNGARNDJ-UHFFFAOYSA-N 0 0 373.413 3.767 40 5 FHBBRN CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224758126 222820143 /nfs/dbraw/zinc/82/01/43/222820143.db2.gz OZFDUBRJCHDZMC-UHFFFAOYSA-N 0 0 361.206 3.727 40 5 FHBBRN CCOc1ccc(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000225074705 222827217 /nfs/dbraw/zinc/82/72/17/222827217.db2.gz SKYYHLIOHVVABD-UHFFFAOYSA-N 0 0 364.423 3.517 40 5 FHBBRN Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000225918033 222879110 /nfs/dbraw/zinc/87/91/10/222879110.db2.gz YVGJHYIEMQVWFE-UHFFFAOYSA-N 0 0 363.377 3.998 40 5 FHBBRN Cc1ccc2c(c1)s/c(=N/C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)n2C ZINC000003175304 219490171 /nfs/dbraw/zinc/49/01/71/219490171.db2.gz OQMHAKKYILRJQH-LKRDSMOESA-N 0 0 353.403 3.597 40 5 FHBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2ccc(Cl)cc2s1 ZINC000006331757 219724708 /nfs/dbraw/zinc/72/47/08/219724708.db2.gz PIRCVELFBGQGJS-UHFFFAOYSA-N 0 0 363.782 3.875 40 5 FHBBRN CN(Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000014737444 220131397 /nfs/dbraw/zinc/13/13/97/220131397.db2.gz OJXUWYZIXLUBFT-UHFFFAOYSA-N 0 0 362.451 3.713 40 5 FHBBRN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000017370451 220216203 /nfs/dbraw/zinc/21/62/03/220216203.db2.gz SDEKTVDCOGPTDE-JTQLQIEISA-N 0 0 364.785 3.756 40 5 FHBBRN Cc1ccc(S(=O)(=O)NCc2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000063764513 221143217 /nfs/dbraw/zinc/14/32/17/221143217.db2.gz NCXSSZKZAXTFAX-UHFFFAOYSA-N 0 0 356.403 3.535 40 5 FHBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000100552203 222246877 /nfs/dbraw/zinc/24/68/77/222246877.db2.gz OOTPJRACOVRCOL-UHFFFAOYSA-N 0 0 362.279 3.704 40 5 FHBBRN COc1cc2c(c3c1/c(=N/N(C)C)c1ccccc1n3C)C=CC(C)(C)O2 ZINC000104045307 222348864 /nfs/dbraw/zinc/34/88/64/222348864.db2.gz TWPGKMWHEBBEPW-BSYVCWPDSA-N 0 0 363.461 3.902 40 5 FHBBRN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1Cl ZINC000003506668 263330073 /nfs/dbraw/zinc/33/00/73/263330073.db2.gz MDOFPNARANZDLL-UHFFFAOYSA-N 0 0 369.160 3.697 40 5 FHBBRN Cc1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000008209315 263353055 /nfs/dbraw/zinc/35/30/55/263353055.db2.gz DPGCGYPLMKERIT-UHFFFAOYSA-N 0 0 370.390 3.684 40 5 FHBBRN Cc1c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000008331034 263354533 /nfs/dbraw/zinc/35/45/33/263354533.db2.gz PLEPWTJKAKTEFJ-UHFFFAOYSA-N 0 0 361.379 3.683 40 5 FHBBRN CC(C)Oc1ccc(CCCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000218159399 519779043 /nfs/dbraw/zinc/77/90/43/519779043.db2.gz IGGFFFLSCYFGQC-UHFFFAOYSA-N 0 0 356.422 3.674 40 5 FHBBRN CC[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000217890068 522657501 /nfs/dbraw/zinc/65/75/01/522657501.db2.gz JGDHIDQUHVXRMG-VGMNTSGFSA-N 0 0 370.405 3.893 40 5 FHBBRN COc1ccccc1CCCNC(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000218049143 524402804 /nfs/dbraw/zinc/40/28/04/524402804.db2.gz GPXPCKNPSKBYRO-UHFFFAOYSA-N 0 0 374.462 3.586 40 5 FHBBRN Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cncc(Br)c1 ZINC000072228757 570535168 /nfs/dbraw/zinc/53/51/68/570535168.db2.gz ZDDBYXIDEHXLFW-UHFFFAOYSA-N 0 0 350.172 3.621 40 5 FHBBRN Cc1ccc(NC(=O)CSc2nc(C)c3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000408583599 570569320 /nfs/dbraw/zinc/56/93/20/570569320.db2.gz VUKKCGNPDNLKBV-UHFFFAOYSA-N 0 0 372.450 3.611 40 5 FHBBRN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(COc2ccccc2)o1 ZINC000408583137 570569373 /nfs/dbraw/zinc/56/93/73/570569373.db2.gz RUMBQZCSNUOVKT-UHFFFAOYSA-N 0 0 371.374 3.911 40 5 FHBBRN Cc1ccc(-c2nnc(SC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000408598739 570570123 /nfs/dbraw/zinc/57/01/23/570570123.db2.gz AJNTXKOYSVPSCB-UHFFFAOYSA-N 0 0 355.375 3.815 40 5 FHBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3Cl)CC2=O)cc1[N+](=O)[O-] ZINC000408646677 570571401 /nfs/dbraw/zinc/57/14/01/570571401.db2.gz WBJQMWISRRINFJ-LBPRGKRZSA-N 0 0 373.796 3.548 40 5 FHBBRN Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)o2)cc1 ZINC000408714862 570572843 /nfs/dbraw/zinc/57/28/43/570572843.db2.gz XVNZPTAMFDPTNK-UHFFFAOYSA-N 0 0 366.377 3.534 40 5 FHBBRN O=C1S/C(=C/c2cccc(F)c2)C(=O)N1CNc1cccc([N+](=O)[O-])c1 ZINC000408720180 570572907 /nfs/dbraw/zinc/57/29/07/570572907.db2.gz YUHDFWUIWYEGKH-OVCLIPMQSA-N 0 0 373.365 3.840 40 5 FHBBRN Cc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(C)c1-c1ccccc1 ZINC000409198412 570738886 /nfs/dbraw/zinc/73/88/86/570738886.db2.gz FYIXPHITSMBMLN-HNENSFHCSA-N 0 0 353.403 3.711 40 5 FHBBRN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccccc1Cl ZINC000409390406 570755946 /nfs/dbraw/zinc/75/59/46/570755946.db2.gz CXGNHENTAZQSJY-UHFFFAOYSA-N 0 0 362.798 3.855 40 5 FHBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000005671422 570805635 /nfs/dbraw/zinc/80/56/35/570805635.db2.gz KMIDIVVFLKLZIU-UHFFFAOYSA-N 0 0 370.346 3.879 40 5 FHBBRN CC(=O)Nc1nc2c(cc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2C)s1 ZINC000005679852 570805815 /nfs/dbraw/zinc/80/58/15/570805815.db2.gz VOQPDGWCGVKOSQ-UHFFFAOYSA-N 0 0 370.390 3.724 40 5 FHBBRN Cc1c(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000047081034 570879540 /nfs/dbraw/zinc/87/95/40/570879540.db2.gz ZNRFLPMQGDAJAU-UHFFFAOYSA-N 0 0 355.394 3.684 40 5 FHBBRN O=C(CN1C(=O)SC(=Cc2ccccc2[N+](=O)[O-])C1=O)c1ccccc1 ZINC000210610262 570879940 /nfs/dbraw/zinc/87/99/40/570879940.db2.gz WGYPZXFGXRYSSR-MHWRWJLKSA-N 0 0 368.370 3.514 40 5 FHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2 ZINC000223289495 571073426 /nfs/dbraw/zinc/07/34/26/571073426.db2.gz WSGSRTJHIGNBLL-CYBMUJFWSA-N 0 0 370.405 3.888 40 5 FHBBRN CCCCn1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O ZINC000040398745 571091466 /nfs/dbraw/zinc/09/14/66/571091466.db2.gz BRQSGAUXNPBQJG-UHFFFAOYSA-N 0 0 359.429 3.560 40 5 FHBBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccc([N+](=O)[O-])c3)N21 ZINC000222645197 571145217 /nfs/dbraw/zinc/14/52/17/571145217.db2.gz SLSIQPKOADZIRX-RRQGHBQHSA-N 0 0 354.435 3.969 40 5 FHBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000222645422 571145383 /nfs/dbraw/zinc/14/53/83/571145383.db2.gz WKEFOAHQNTWZDU-XOKHGSTOSA-N 0 0 354.435 3.969 40 5 FHBBRN COc1ccc(OC)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000026391697 571162509 /nfs/dbraw/zinc/16/25/09/571162509.db2.gz JXANHLPSRAOZDL-SNVBAGLBSA-N 0 0 364.785 3.756 40 5 FHBBRN O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c4c(cccc42)CC3)c1 ZINC000223985571 571166387 /nfs/dbraw/zinc/16/63/87/571166387.db2.gz JXCVNOXLASGYPM-UHFFFAOYSA-N 0 0 354.387 3.647 40 5 FHBBRN Cc1nnc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000005943333 571169119 /nfs/dbraw/zinc/16/91/19/571169119.db2.gz WBSQFYCGFQQGSF-UHFFFAOYSA-N 0 0 366.302 3.833 40 5 FHBBRN Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1[N+](=O)[O-] ZINC000222935760 571172805 /nfs/dbraw/zinc/17/28/05/571172805.db2.gz ASGNKIAHPOOJOZ-CQSZACIVSA-N 0 0 374.462 3.822 40 5 FHBBRN CC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000006318166 571177014 /nfs/dbraw/zinc/17/70/14/571177014.db2.gz RZYIRVRUKJTCDW-UHFFFAOYSA-N 0 0 364.151 3.779 40 5 FHBBRN CC(=O)[C@@H](C)Oc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13 ZINC000006624661 571204699 /nfs/dbraw/zinc/20/46/99/571204699.db2.gz BZQZNTDIZVKYPU-CYBMUJFWSA-N 0 0 356.381 3.948 40 5 biogenic FHBBRN COC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000169800439 571254249 /nfs/dbraw/zinc/25/42/49/571254249.db2.gz NCNVMUNDVWVKJH-CQSZACIVSA-N 0 0 350.168 3.662 40 5 FHBBRN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000007724537 571286527 /nfs/dbraw/zinc/28/65/27/571286527.db2.gz ZOQYPSGKJPNMBU-UHFFFAOYSA-N 0 0 373.840 3.827 40 5 FHBBRN Cc1cccc(-c2noc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c1 ZINC000007721316 571286604 /nfs/dbraw/zinc/28/66/04/571286604.db2.gz UVLBDDYTHFDLCQ-UHFFFAOYSA-N 0 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O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCCc1ccc(F)cc1 ZINC000218049040 527024304 /nfs/dbraw/zinc/02/43/04/527024304.db2.gz KRRYJIBURNKKQM-UHFFFAOYSA-N 0 0 362.426 3.716 40 5 FHBBRN CCOc1ccccc1-c1nc(Sc2ccc(C=O)cc2[N+](=O)[O-])n[nH]1 ZINC000408527025 570566022 /nfs/dbraw/zinc/56/60/22/570566022.db2.gz JABAZYDHVCJEBE-UHFFFAOYSA-N 0 0 370.390 3.742 40 5 FHBBRN CCc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000408627092 570570803 /nfs/dbraw/zinc/57/08/03/570570803.db2.gz JYUXUGBABYNGJP-UHFFFAOYSA-N 0 0 363.826 3.937 40 5 FHBBRN Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)c(C)c1 ZINC000408642671 570571297 /nfs/dbraw/zinc/57/12/97/570571297.db2.gz PJNAOHKZKVVUOW-HNNXBMFYSA-N 0 0 367.405 3.512 40 5 FHBBRN O=c1nc(-c2cc3c(cc2[N+](=O)[O-])OCO3)[nH]c2sc3c(c21)CCCC3 ZINC000408735094 570573749 /nfs/dbraw/zinc/57/37/49/570573749.db2.gz NUDLAXVAPCWRSD-UHFFFAOYSA-N 0 0 371.374 3.580 40 5 FHBBRN CC(=O)Nc1ccccc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000409180817 570583327 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Cc1cccc(-c2noc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1 ZINC000007759336 571288023 /nfs/dbraw/zinc/28/80/23/571288023.db2.gz KCCBCFPUOBLVMZ-UHFFFAOYSA-N 0 0 372.768 3.537 40 5 FHBBRN CCOC(=O)N1CCC(Nc2cc(Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000196644941 571291432 /nfs/dbraw/zinc/29/14/32/571291432.db2.gz DCAXJGHFCBTBMR-UHFFFAOYSA-N 0 0 362.213 3.934 40 5 FHBBRN CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225003025 571293217 /nfs/dbraw/zinc/29/32/17/571293217.db2.gz SBBVXAXMYLLEMX-UHFFFAOYSA-N 0 0 361.206 3.727 40 5 FHBBRN CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225001189 571293263 /nfs/dbraw/zinc/29/32/63/571293263.db2.gz IRRVZBHUNDNTPQ-UHFFFAOYSA-N 0 0 374.340 3.829 40 5 FHBBRN O=C(CCC(=O)OCc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1 ZINC000006227057 571295466 /nfs/dbraw/zinc/29/54/66/571295466.db2.gz QJXSQYVDZRLJSO-UHFFFAOYSA-N 0 0 362.769 3.710 40 5 FHBBRN COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(C)C ZINC000007361216 571298747 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FHBBRN CCN(CC)S(=O)(=O)c1ccc2oc3ccc(Cl)cc3c(=O)c2c1 ZINC000015109615 220148673 /nfs/dbraw/zinc/14/86/73/220148673.db2.gz DUGURXNURSCVRS-UHFFFAOYSA-N 0 0 365.838 3.630 40 5 FHBBRN C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000018891731 220231538 /nfs/dbraw/zinc/23/15/38/220231538.db2.gz DCTLJXXIRMCGCB-SNVBAGLBSA-N 0 0 362.769 3.510 40 5 FHBBRN CCOC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(Cl)c1 ZINC000022524460 220389607 /nfs/dbraw/zinc/38/96/07/220389607.db2.gz FPXOHSPRKRVCJP-UHFFFAOYSA-N 0 0 362.769 3.986 40 5 FHBBRN COc1ccc([C@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000044901207 220963456 /nfs/dbraw/zinc/96/34/56/220963456.db2.gz LMRIRGRMWMSTDL-ZDUSSCGKSA-N 0 0 360.435 3.714 40 5 FHBBRN CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(C)cc1 ZINC000066016573 221238352 /nfs/dbraw/zinc/23/83/52/221238352.db2.gz KOKIUKMTSZKHKO-MRXNPFEDSA-N 0 0 358.394 3.558 40 5 FHBBRN CSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)CC(c1ccccc1)=N2 ZINC000100068449 222234190 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Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3Cl)CC2=O)cc1[N+](=O)[O-] ZINC000408646676 570571575 /nfs/dbraw/zinc/57/15/75/570571575.db2.gz WBJQMWISRRINFJ-GFCCVEGCSA-N 0 0 373.796 3.548 40 5 FHBBRN O=C1[C@H]2[C@H]3C=C[C@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000004995888 570573204 /nfs/dbraw/zinc/57/32/04/570573204.db2.gz ARYQMOWMQUHBMY-NBMJBFSESA-N 0 0 364.401 3.777 40 5 FHBBRN Cc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1cccc(C(F)(F)F)c1 ZINC000001372459 570651223 /nfs/dbraw/zinc/65/12/23/570651223.db2.gz FNPRVEJQSOGKES-UHFFFAOYSA-N 0 0 363.295 3.680 40 5 FHBBRN O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000005439755 570655394 /nfs/dbraw/zinc/65/53/94/570655394.db2.gz UFBMUROJQWXBJM-UHFFFAOYSA-N 0 0 359.769 3.627 40 5 FHBBRN Cc1csc(=Nc2ccccc2)n1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000003257686 570658866 /nfs/dbraw/zinc/65/88/66/570658866.db2.gz HRUVCIFYTWUDAJ-KRWDZBQOSA-O 0 0 356.427 3.729 40 5 FHBBRN O=C(/C=C/c1ccccc1Cl)N[C@@H]1C=Nc2ccc([N+](=O)[O-])cc2NC1 ZINC000005581546 570677749 /nfs/dbraw/zinc/67/77/49/570677749.db2.gz ZSBKLLNHGJSWKZ-OQHXTRMZSA-N 0 0 370.796 3.574 40 5 FHBBRN O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1cccc([N+](=O)[O-])c1 ZINC000005484092 570678925 /nfs/dbraw/zinc/67/89/25/570678925.db2.gz CZVHKWLTEKEQMG-UHFFFAOYSA-N 0 0 354.391 3.716 40 5 FHBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)cc1 ZINC000408774295 570685584 /nfs/dbraw/zinc/68/55/84/570685584.db2.gz BYMGBCRGQHRHRW-MUMAZLPKSA-N 0 0 355.419 3.757 40 5 FHBBRN Cc1ccc(-c2nn(CC(=O)Nc3ccc([N+](=O)[O-])cc3)c(=S)o2)cc1 ZINC000409154177 570733737 /nfs/dbraw/zinc/73/37/37/570733737.db2.gz FZPCMXNMMYPCER-UHFFFAOYSA-N 0 0 370.390 3.728 40 5 FHBBRN COc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000011246766 570805103 /nfs/dbraw/zinc/80/51/03/570805103.db2.gz WZFGDIUWFYVKPA-UHFFFAOYSA-N 0 0 358.397 3.802 40 5 FHBBRN COC(=O)c1ccc(NCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000039956305 570836902 /nfs/dbraw/zinc/83/69/02/570836902.db2.gz XRBMFMXRLDYVKR-UHFFFAOYSA-N 0 0 365.183 3.756 40 5 FHBBRN CCN(CC)C(=O)c1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000047081065 570879522 /nfs/dbraw/zinc/87/95/22/570879522.db2.gz OVZWYZIBNSFKTR-SDNWHVSQSA-N 0 0 367.405 3.729 40 5 FHBBRN CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000047219437 570882777 /nfs/dbraw/zinc/88/27/77/570882777.db2.gz UWZXSAHESSYLFP-UHFFFAOYSA-N 0 0 355.394 3.638 40 5 FHBBRN COc1ccc([C@@H](C)NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000044901209 570902437 /nfs/dbraw/zinc/90/24/37/570902437.db2.gz LMRIRGRMWMSTDL-CYBMUJFWSA-N 0 0 360.435 3.714 40 5 FHBBRN C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(C(C)(C)C)cc1 ZINC000013669657 571110473 /nfs/dbraw/zinc/11/04/73/571110473.db2.gz WYEMBLHLNQNRGR-ZDUSSCGKSA-N 0 0 362.451 3.932 40 5 FHBBRN Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C ZINC000223443668 571123335 /nfs/dbraw/zinc/12/33/35/571123335.db2.gz SMXDASCBSLRGBU-OAHLLOKOSA-N 0 0 362.451 3.868 40 5 FHBBRN Cc1cccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)n1 ZINC000205657097 571140905 /nfs/dbraw/zinc/14/09/05/571140905.db2.gz BTGDWEFJDKHGBA-OQLLNIDSSA-N 0 0 355.375 3.535 40 5 FHBBRN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2ccccc2c1 ZINC000003383856 571146709 /nfs/dbraw/zinc/14/67/09/571146709.db2.gz KLIOPPXBKVDWGV-UHFFFAOYSA-N 0 0 350.330 3.544 40 5 FHBBRN O=C(O[C@@H]1CC[C@@H](c2ccccc2)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001711985 571166406 /nfs/dbraw/zinc/16/64/06/571166406.db2.gz JCXMTOFRSTXDRD-CXAGYDPISA-N 0 0 356.334 3.996 40 5 FHBBRN Cc1c(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cccc1[N+](=O)[O-] ZINC000005921578 571168416 /nfs/dbraw/zinc/16/84/16/571168416.db2.gz CBENRYPSUKQFQK-UHFFFAOYSA-N 0 0 358.335 3.673 40 5 FHBBRN COc1ccc2c3ccnc4c3n(c2c1)c(=O)c1c4ccc(OC)c1OC ZINC000006624314 571204662 /nfs/dbraw/zinc/20/46/62/571204662.db2.gz UMQYGIDDFZZEBG-UHFFFAOYSA-N 0 0 360.369 3.618 40 5 biogenic FHBBRN CC1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000006515662 571206455 /nfs/dbraw/zinc/20/64/55/571206455.db2.gz ORGXENYJEJOMMW-UHFFFAOYSA-N 0 0 369.421 3.849 40 5 FHBBRN Cc1cc(C)cc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 ZINC000006962964 571255812 /nfs/dbraw/zinc/25/58/12/571255812.db2.gz WCARELAHAYSLEI-UHFFFAOYSA-N 0 0 373.840 3.827 40 5 FHBBRN CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225007200 571293281 /nfs/dbraw/zinc/29/32/81/571293281.db2.gz FUKLCIMBTXYHDD-UHFFFAOYSA-N 0 0 358.778 3.603 40 5 FHBBRN CCN(c1ccccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225072195 571293620 /nfs/dbraw/zinc/29/36/20/571293620.db2.gz IUEXRVZGHACYMW-UHFFFAOYSA-N 0 0 354.815 3.772 40 5 FHBBRN CCOc1cccc(N(CC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000225090302 571293864 /nfs/dbraw/zinc/29/38/64/571293864.db2.gz RQPYBQAGEVUEHP-UHFFFAOYSA-N 0 0 364.423 3.517 40 5 FHBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N2CCCCC2)cc1 ZINC000007504791 571299025 /nfs/dbraw/zinc/29/90/25/571299025.db2.gz UYGZAQKKFRKOLU-UHFFFAOYSA-N 0 0 355.394 3.846 40 5 FHBBRN Cc1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000010800982 571303469 /nfs/dbraw/zinc/30/34/69/571303469.db2.gz VKOYFIITILPJQP-UHFFFAOYSA-N 0 0 372.421 3.601 40 5 FHBBRN COC(=O)c1cccc(NC(=O)c2coc3ccc([N+](=O)[O-])cc23)c1C ZINC000164674734 571307344 /nfs/dbraw/zinc/30/73/44/571307344.db2.gz QBYOOQUHJFDGRB-UHFFFAOYSA-N 0 0 354.318 3.688 40 5 FHBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccccc3C)nc21 ZINC000010010649 571321327 /nfs/dbraw/zinc/32/13/27/571321327.db2.gz FQRLIBLZMOWPRN-UHFFFAOYSA-N 0 0 373.390 3.539 40 5 FHBBRN CCOc1cccc(C(=O)Nc2nc3c(cc([N+](=O)[O-])cc3OC)s2)c1 ZINC000010010563 571321335 /nfs/dbraw/zinc/32/13/35/571321335.db2.gz PNEOYHKVFBGDKL-UHFFFAOYSA-N 0 0 373.390 3.864 40 5 FHBBRN Cc1nn(CCC(=O)N(C2CCCCC2)C2CCCCC2)cc1[N+](=O)[O-] ZINC000002782426 571340936 /nfs/dbraw/zinc/34/09/36/571340936.db2.gz LVBGIWWKRPFHAH-UHFFFAOYSA-N 0 0 362.474 3.984 40 5 FHBBRN Cc1nn([C@H](C)C2N=NC(=S)N2c2cc(C)ccc2C)c(C)c1[N+](=O)[O-] ZINC000002792177 571341066 /nfs/dbraw/zinc/34/10/66/571341066.db2.gz WXXPDMOMEIKIKA-CYBMUJFWSA-N 0 0 372.454 3.504 40 5 FHBBRN